----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:49:04]------------------------- 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 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947547879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.772036389999998 0.000000000000000 c 0.000000000000000 0.000000000000000 3.981545319999999 Atomic positions (fractional): *1 Ba 0.23348626118895 0.87291559141874 0.50000000000000 137.327 2 Ba 0.26651373881105 0.37291559141874 0.50000000000000 137.327 3 Ba 0.73348626118895 0.62708440858126 0.50000000000000 137.327 4 Ba 0.76651373881105 0.12708440858126 0.50000000000000 137.327 *5 Sc 0.26265752024879 0.63199392395954 0.00000000000000 44.956 6 Sc 0.23734247975121 0.13199392395954 0.00000000000000 44.956 7 Sc 0.76265752024879 0.86800607604046 0.00000000000000 44.956 8 Sc 0.73734247975121 0.36800607604046 0.00000000000000 44.956 *9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 *10 O 0.01989891641784 0.25743795539390 0.00000000000000 15.999 *11 O 0.19119737495520 0.59846130349281 0.50000000000000 15.999 12 O 0.30880262504480 0.09846130349281 0.50000000000000 15.999 13 O 0.48010108358216 0.75743795539390 0.00000000000000 15.999 14 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 15 O 0.51989891641784 0.24256204460610 0.00000000000000 15.999 16 O 0.69119737495520 0.90153869650719 0.50000000000000 15.999 17 O 0.80880262504480 0.40153869650719 0.50000000000000 15.999 18 O 0.98010108358216 0.74256204460610 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.947547879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.772036389999998 0.000000000000000 c 0.000000000000000 0.000000000000000 3.981545319999999 Atomic positions (fractional): *1 Ba 0.23348626118895 0.87291559141874 0.50000000000000 137.327 > 1 2 Ba 0.26651373881105 0.37291559141874 0.50000000000000 137.327 > 2 3 Ba 0.73348626118895 0.62708440858126 0.50000000000000 137.327 > 3 4 Ba 0.76651373881105 0.12708440858126 0.50000000000000 137.327 > 4 *5 Sc 0.26265752024879 0.63199392395954 0.00000000000000 44.956 > 5 6 Sc 0.23734247975121 0.13199392395954 0.00000000000000 44.956 > 6 7 Sc 0.76265752024879 0.86800607604046 0.00000000000000 44.956 > 7 8 Sc 0.73734247975121 0.36800607604046 0.00000000000000 44.956 > 8 *9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 9 *10 O 0.01989891641784 0.25743795539390 0.00000000000000 15.999 > 10 *11 O 0.19119737495520 0.59846130349281 0.50000000000000 15.999 > 11 12 O 0.30880262504480 0.09846130349281 0.50000000000000 15.999 > 12 13 O 0.48010108358216 0.75743795539390 0.00000000000000 15.999 > 13 14 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 14 15 O 0.51989891641784 0.24256204460610 0.00000000000000 15.999 > 15 16 O 0.69119737495520 0.90153869650719 0.50000000000000 15.999 > 16 17 O 0.80880262504480 0.40153869650719 0.50000000000000 15.999 > 17 18 O 0.98010108358216 0.74256204460610 0.00000000000000 15.999 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.895095759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.772036389999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.944635959999998 Atomic positions (fractional): *1 Ba 0.11674313059448 0.87291559141874 0.16666666666667 137.327 > 1 2 Ba 0.61674313059448 0.87291559141874 0.16666666666667 137.327 > 1 3 Ba 0.11674313059448 0.87291559141874 0.50000000000000 137.327 > 1 4 Ba 0.61674313059448 0.87291559141874 0.50000000000000 137.327 > 1 5 Ba 0.11674313059448 0.87291559141874 0.83333333333333 137.327 > 1 6 Ba 0.61674313059448 0.87291559141874 0.83333333333333 137.327 > 1 7 Ba 0.13325686940552 0.37291559141874 0.16666666666667 137.327 > 2 8 Ba 0.63325686940552 0.37291559141874 0.16666666666667 137.327 > 2 9 Ba 0.13325686940552 0.37291559141874 0.50000000000000 137.327 > 2 10 Ba 0.63325686940552 0.37291559141874 0.50000000000000 137.327 > 2 11 Ba 0.13325686940552 0.37291559141874 0.83333333333333 137.327 > 2 12 Ba 0.63325686940552 0.37291559141874 0.83333333333333 137.327 > 2 13 Ba 0.36674313059448 0.62708440858126 0.16666666666667 137.327 > 3 14 Ba 0.86674313059448 0.62708440858126 0.16666666666667 137.327 > 3 15 Ba 0.36674313059448 0.62708440858126 0.50000000000000 137.327 > 3 16 Ba 0.86674313059448 0.62708440858126 0.50000000000000 137.327 > 3 17 Ba 0.36674313059448 0.62708440858126 0.83333333333333 137.327 > 3 18 Ba 0.86674313059448 0.62708440858126 0.83333333333333 137.327 > 3 19 Ba 0.38325686940552 0.12708440858126 0.16666666666667 137.327 > 4 20 Ba 0.88325686940552 0.12708440858126 0.16666666666667 137.327 > 4 21 Ba 0.38325686940552 0.12708440858126 0.50000000000000 137.327 > 4 22 Ba 0.88325686940552 0.12708440858126 0.50000000000000 137.327 > 4 23 Ba 0.38325686940552 0.12708440858126 0.83333333333333 137.327 > 4 24 Ba 0.88325686940552 0.12708440858126 0.83333333333333 137.327 > 4 *25 Sc 0.13132876012440 0.63199392395954 0.00000000000000 44.956 > 5 26 Sc 0.63132876012440 0.63199392395954 0.00000000000000 44.956 > 5 27 Sc 0.13132876012440 0.63199392395954 0.33333333333333 44.956 > 5 28 Sc 0.63132876012440 0.63199392395954 0.33333333333333 44.956 > 5 29 Sc 0.13132876012440 0.63199392395954 0.66666666666667 44.956 > 5 30 Sc 0.63132876012440 0.63199392395954 0.66666666666667 44.956 > 5 31 Sc 0.11867123987560 0.13199392395954 0.00000000000000 44.956 > 6 32 Sc 0.61867123987560 0.13199392395954 0.00000000000000 44.956 > 6 33 Sc 0.11867123987560 0.13199392395954 0.33333333333333 44.956 > 6 34 Sc 0.61867123987560 0.13199392395954 0.33333333333333 44.956 > 6 35 Sc 0.11867123987560 0.13199392395954 0.66666666666667 44.956 > 6 36 Sc 0.61867123987560 0.13199392395954 0.66666666666667 44.956 > 6 37 Sc 0.38132876012440 0.86800607604046 0.00000000000000 44.956 > 7 38 Sc 0.88132876012440 0.86800607604046 0.00000000000000 44.956 > 7 39 Sc 0.38132876012440 0.86800607604046 0.33333333333333 44.956 > 7 40 Sc 0.88132876012440 0.86800607604046 0.33333333333333 44.956 > 7 41 Sc 0.38132876012440 0.86800607604046 0.66666666666667 44.956 > 7 42 Sc 0.88132876012440 0.86800607604046 0.66666666666667 44.956 > 7 43 Sc 0.36867123987560 0.36800607604046 0.00000000000000 44.956 > 8 44 Sc 0.86867123987560 0.36800607604046 0.00000000000000 44.956 > 8 45 Sc 0.36867123987560 0.36800607604046 0.33333333333333 44.956 > 8 46 Sc 0.86867123987560 0.36800607604046 0.33333333333333 44.956 > 8 47 Sc 0.36867123987560 0.36800607604046 0.66666666666667 44.956 > 8 48 Sc 0.86867123987560 0.36800607604046 0.66666666666667 44.956 > 8 *49 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 9 50 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 9 51 O 0.00000000000000 0.00000000000000 0.33333333333333 15.999 > 9 52 O 0.50000000000000 0.00000000000000 0.33333333333333 15.999 > 9 53 O 0.00000000000000 0.00000000000000 0.66666666666667 15.999 > 9 54 O 0.50000000000000 0.00000000000000 0.66666666666667 15.999 > 9 *55 O 0.00994945820892 0.25743795539390 0.00000000000000 15.999 > 10 56 O 0.50994945820892 0.25743795539390 0.00000000000000 15.999 > 10 57 O 0.00994945820892 0.25743795539390 0.33333333333333 15.999 > 10 58 O 0.50994945820892 0.25743795539390 0.33333333333333 15.999 > 10 59 O 0.00994945820892 0.25743795539390 0.66666666666667 15.999 > 10 60 O 0.50994945820892 0.25743795539390 0.66666666666667 15.999 > 10 *61 O 0.09559868747760 0.59846130349281 0.16666666666667 15.999 > 11 62 O 0.59559868747760 0.59846130349281 0.16666666666667 15.999 > 11 63 O 0.09559868747760 0.59846130349281 0.50000000000000 15.999 > 11 64 O 0.59559868747760 0.59846130349281 0.50000000000000 15.999 > 11 65 O 0.09559868747760 0.59846130349281 0.83333333333333 15.999 > 11 66 O 0.59559868747760 0.59846130349281 0.83333333333333 15.999 > 11 67 O 0.15440131252240 0.09846130349281 0.16666666666667 15.999 > 12 68 O 0.65440131252240 0.09846130349281 0.16666666666667 15.999 > 12 69 O 0.15440131252240 0.09846130349281 0.50000000000000 15.999 > 12 70 O 0.65440131252240 0.09846130349281 0.50000000000000 15.999 > 12 71 O 0.15440131252240 0.09846130349281 0.83333333333333 15.999 > 12 72 O 0.65440131252240 0.09846130349281 0.83333333333333 15.999 > 12 73 O 0.24005054179108 0.75743795539390 0.00000000000000 15.999 > 13 74 O 0.74005054179108 0.75743795539390 0.00000000000000 15.999 > 13 75 O 0.24005054179108 0.75743795539390 0.33333333333333 15.999 > 13 76 O 0.74005054179108 0.75743795539390 0.33333333333333 15.999 > 13 77 O 0.24005054179108 0.75743795539390 0.66666666666667 15.999 > 13 78 O 0.74005054179108 0.75743795539390 0.66666666666667 15.999 > 13 79 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 14 80 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 14 81 O 0.25000000000000 0.50000000000000 0.33333333333333 15.999 > 14 82 O 0.75000000000000 0.50000000000000 0.33333333333333 15.999 > 14 83 O 0.25000000000000 0.50000000000000 0.66666666666667 15.999 > 14 84 O 0.75000000000000 0.50000000000000 0.66666666666667 15.999 > 14 85 O 0.25994945820892 0.24256204460610 0.00000000000000 15.999 > 15 86 O 0.75994945820892 0.24256204460610 0.00000000000000 15.999 > 15 87 O 0.25994945820892 0.24256204460610 0.33333333333333 15.999 > 15 88 O 0.75994945820892 0.24256204460610 0.33333333333333 15.999 > 15 89 O 0.25994945820892 0.24256204460610 0.66666666666667 15.999 > 15 90 O 0.75994945820892 0.24256204460610 0.66666666666667 15.999 > 15 91 O 0.34559868747760 0.90153869650719 0.16666666666667 15.999 > 16 92 O 0.84559868747760 0.90153869650719 0.16666666666667 15.999 > 16 93 O 0.34559868747760 0.90153869650719 0.50000000000000 15.999 > 16 94 O 0.84559868747760 0.90153869650719 0.50000000000000 15.999 > 16 95 O 0.34559868747760 0.90153869650719 0.83333333333333 15.999 > 16 96 O 0.84559868747760 0.90153869650719 0.83333333333333 15.999 > 16 97 O 0.40440131252240 0.40153869650719 0.16666666666667 15.999 > 17 98 O 0.90440131252240 0.40153869650719 0.16666666666667 15.999 > 17 99 O 0.40440131252240 0.40153869650719 0.50000000000000 15.999 > 17 100 O 0.90440131252240 0.40153869650719 0.50000000000000 15.999 > 17 101 O 0.40440131252240 0.40153869650719 0.83333333333333 15.999 > 17 102 O 0.90440131252240 0.40153869650719 0.83333333333333 15.999 > 17 103 O 0.49005054179108 0.74256204460610 0.00000000000000 15.999 > 18 104 O 0.99005054179108 0.74256204460610 0.00000000000000 15.999 > 18 105 O 0.49005054179108 0.74256204460610 0.33333333333333 15.999 > 18 106 O 0.99005054179108 0.74256204460610 0.33333333333333 15.999 > 18 107 O 0.49005054179108 0.74256204460610 0.66666666666667 15.999 > 18 108 O 0.99005054179108 0.74256204460610 0.66666666666667 15.999 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4863769 0.0000000 0.0000000 0.0000000 4.5758722 0.0000000 0.0000000 0.0000000 4.5169047 -------------------------- Born effective charges -------------------------- 1 Ba 2.7341808 -0.2508277 0.0000000 -0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 2 Ba 2.7341808 0.2508277 0.0000000 0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 3 Ba 2.7341808 0.2508277 0.0000000 0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 4 Ba 2.7341808 -0.2508277 0.0000000 -0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 5 Sc 3.4869462 -0.5742408 0.0000000 -0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 6 Sc 3.4869462 0.5742408 0.0000000 0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 7 Sc 3.4869462 0.5742408 0.0000000 0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 8 Sc 3.4869462 -0.5742408 0.0000000 -0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 9 O -2.4404581 -0.6271499 0.0000000 -0.8952933 -3.1706644 0.0000000 0.0000000 0.0000000 -2.1300326 10 O -2.8705403 0.7808022 0.0000000 0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 11 O -2.1303576 0.0752164 0.0000000 0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 12 O -2.1303576 -0.0752164 0.0000000 -0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 13 O -2.8705403 -0.7808022 0.0000000 -0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 14 O -2.4404581 0.6271499 0.0000000 0.8952933 -3.1706644 0.0000000 0.0000000 0.0000000 -2.1300326 15 O -2.8705403 -0.7808022 0.0000000 -0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 16 O -2.1303576 -0.0752164 0.0000000 -0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 17 O -2.1303576 0.0752164 0.0000000 0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 18 O -2.8705403 0.7808022 0.0000000 0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 9126/9126 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1218 Number of blocks in projector: 1218 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 190 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 190 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 190 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 161 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 161 Use standard eigh solver. Tree of FC basis block matrices: - (1218, 1193), data: False |-- (161, 161), data: True |-- (161, 161), data: True |-- (190, 185), data: True |-- (190, 185), data: True |-- (190, 185), data: True |-- (326, 316), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 1.389 Solver_block: 200 / 320 - Time: 1.373 Solver_block: 300 / 320 - Time: 1.367 Solver_block: 320 / 320 - Time: 0.367 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.519 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 9126/9126 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1218 Number of blocks in projector: 1218 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 190 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 190 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 190 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 161 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 161 Use standard eigh solver. Tree of FC basis block matrices: - (1218, 1193), data: False |-- (161, 161), data: True |-- (161, 161), data: True |-- (190, 185), data: True |-- (190, 185), data: True |-- (190, 185), data: True |-- (326, 316), 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 23:49:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:49:22]------------------------- 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 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947547879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.772036389999998 0.000000000000000 c 0.000000000000000 0.000000000000000 3.981545319999999 Atomic positions (fractional): 1 Ba 0.23348626118895 0.87291559141874 0.50000000000000 137.327 2 Ba 0.26651373881105 0.37291559141874 0.50000000000000 137.327 3 Ba 0.73348626118895 0.62708440858126 0.50000000000000 137.327 4 Ba 0.76651373881105 0.12708440858126 0.50000000000000 137.327 5 Sc 0.26265752024879 0.63199392395954 0.00000000000000 44.956 6 Sc 0.23734247975121 0.13199392395954 0.00000000000000 44.956 7 Sc 0.76265752024879 0.86800607604046 0.00000000000000 44.956 8 Sc 0.73734247975121 0.36800607604046 0.00000000000000 44.956 9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 10 O 0.01989891641784 0.25743795539390 0.00000000000000 15.999 11 O 0.19119737495520 0.59846130349281 0.50000000000000 15.999 12 O 0.30880262504480 0.09846130349281 0.50000000000000 15.999 13 O 0.48010108358216 0.75743795539390 0.00000000000000 15.999 14 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 15 O 0.51989891641784 0.24256204460610 0.00000000000000 15.999 16 O 0.69119737495520 0.90153869650719 0.50000000000000 15.999 17 O 0.80880262504480 0.40153869650719 0.50000000000000 15.999 18 O 0.98010108358216 0.74256204460610 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.895095759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.772036389999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.944635959999998 Atomic positions (fractional): 1 Ba 0.11674313059448 0.87291559141874 0.16666666666667 137.327 > 1 2 Ba 0.61674313059448 0.87291559141874 0.16666666666667 137.327 > 1 3 Ba 0.11674313059448 0.87291559141874 0.50000000000000 137.327 > 1 4 Ba 0.61674313059448 0.87291559141874 0.50000000000000 137.327 > 1 5 Ba 0.11674313059448 0.87291559141874 0.83333333333333 137.327 > 1 6 Ba 0.61674313059448 0.87291559141874 0.83333333333333 137.327 > 1 7 Ba 0.13325686940552 0.37291559141874 0.16666666666667 137.327 > 7 8 Ba 0.63325686940552 0.37291559141874 0.16666666666667 137.327 > 7 9 Ba 0.13325686940552 0.37291559141874 0.50000000000000 137.327 > 7 10 Ba 0.63325686940552 0.37291559141874 0.50000000000000 137.327 > 7 11 Ba 0.13325686940552 0.37291559141874 0.83333333333333 137.327 > 7 12 Ba 0.63325686940552 0.37291559141874 0.83333333333333 137.327 > 7 13 Ba 0.36674313059448 0.62708440858126 0.16666666666667 137.327 > 13 14 Ba 0.86674313059448 0.62708440858126 0.16666666666667 137.327 > 13 15 Ba 0.36674313059448 0.62708440858126 0.50000000000000 137.327 > 13 16 Ba 0.86674313059448 0.62708440858126 0.50000000000000 137.327 > 13 17 Ba 0.36674313059448 0.62708440858126 0.83333333333333 137.327 > 13 18 Ba 0.86674313059448 0.62708440858126 0.83333333333333 137.327 > 13 19 Ba 0.38325686940552 0.12708440858126 0.16666666666667 137.327 > 19 20 Ba 0.88325686940552 0.12708440858126 0.16666666666667 137.327 > 19 21 Ba 0.38325686940552 0.12708440858126 0.50000000000000 137.327 > 19 22 Ba 0.88325686940552 0.12708440858126 0.50000000000000 137.327 > 19 23 Ba 0.38325686940552 0.12708440858126 0.83333333333333 137.327 > 19 24 Ba 0.88325686940552 0.12708440858126 0.83333333333333 137.327 > 19 25 Sc 0.13132876012440 0.63199392395954 0.00000000000000 44.956 > 25 26 Sc 0.63132876012440 0.63199392395954 0.00000000000000 44.956 > 25 27 Sc 0.13132876012440 0.63199392395954 0.33333333333333 44.956 > 25 28 Sc 0.63132876012440 0.63199392395954 0.33333333333333 44.956 > 25 29 Sc 0.13132876012440 0.63199392395954 0.66666666666667 44.956 > 25 30 Sc 0.63132876012440 0.63199392395954 0.66666666666667 44.956 > 25 31 Sc 0.11867123987560 0.13199392395954 0.00000000000000 44.956 > 31 32 Sc 0.61867123987560 0.13199392395954 0.00000000000000 44.956 > 31 33 Sc 0.11867123987560 0.13199392395954 0.33333333333333 44.956 > 31 34 Sc 0.61867123987560 0.13199392395954 0.33333333333333 44.956 > 31 35 Sc 0.11867123987560 0.13199392395954 0.66666666666667 44.956 > 31 36 Sc 0.61867123987560 0.13199392395954 0.66666666666667 44.956 > 31 37 Sc 0.38132876012440 0.86800607604046 0.00000000000000 44.956 > 37 38 Sc 0.88132876012440 0.86800607604046 0.00000000000000 44.956 > 37 39 Sc 0.38132876012440 0.86800607604046 0.33333333333333 44.956 > 37 40 Sc 0.88132876012440 0.86800607604046 0.33333333333333 44.956 > 37 41 Sc 0.38132876012440 0.86800607604046 0.66666666666667 44.956 > 37 42 Sc 0.88132876012440 0.86800607604046 0.66666666666667 44.956 > 37 43 Sc 0.36867123987560 0.36800607604046 0.00000000000000 44.956 > 43 44 Sc 0.86867123987560 0.36800607604046 0.00000000000000 44.956 > 43 45 Sc 0.36867123987560 0.36800607604046 0.33333333333333 44.956 > 43 46 Sc 0.86867123987560 0.36800607604046 0.33333333333333 44.956 > 43 47 Sc 0.36867123987560 0.36800607604046 0.66666666666667 44.956 > 43 48 Sc 0.86867123987560 0.36800607604046 0.66666666666667 44.956 > 43 49 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 49 51 O 0.00000000000000 0.00000000000000 0.33333333333333 15.999 > 49 52 O 0.50000000000000 0.00000000000000 0.33333333333333 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.66666666666667 15.999 > 49 54 O 0.50000000000000 0.00000000000000 0.66666666666667 15.999 > 49 55 O 0.00994945820892 0.25743795539390 0.00000000000000 15.999 > 55 56 O 0.50994945820892 0.25743795539390 0.00000000000000 15.999 > 55 57 O 0.00994945820892 0.25743795539390 0.33333333333333 15.999 > 55 58 O 0.50994945820892 0.25743795539390 0.33333333333333 15.999 > 55 59 O 0.00994945820892 0.25743795539390 0.66666666666667 15.999 > 55 60 O 0.50994945820892 0.25743795539390 0.66666666666667 15.999 > 55 61 O 0.09559868747760 0.59846130349281 0.16666666666667 15.999 > 61 62 O 0.59559868747760 0.59846130349281 0.16666666666667 15.999 > 61 63 O 0.09559868747760 0.59846130349281 0.50000000000000 15.999 > 61 64 O 0.59559868747760 0.59846130349281 0.50000000000000 15.999 > 61 65 O 0.09559868747760 0.59846130349281 0.83333333333333 15.999 > 61 66 O 0.59559868747760 0.59846130349281 0.83333333333333 15.999 > 61 67 O 0.15440131252240 0.09846130349281 0.16666666666667 15.999 > 67 68 O 0.65440131252240 0.09846130349281 0.16666666666667 15.999 > 67 69 O 0.15440131252240 0.09846130349281 0.50000000000000 15.999 > 67 70 O 0.65440131252240 0.09846130349281 0.50000000000000 15.999 > 67 71 O 0.15440131252240 0.09846130349281 0.83333333333333 15.999 > 67 72 O 0.65440131252240 0.09846130349281 0.83333333333333 15.999 > 67 73 O 0.24005054179108 0.75743795539390 0.00000000000000 15.999 > 73 74 O 0.74005054179108 0.75743795539390 0.00000000000000 15.999 > 73 75 O 0.24005054179108 0.75743795539390 0.33333333333333 15.999 > 73 76 O 0.74005054179108 0.75743795539390 0.33333333333333 15.999 > 73 77 O 0.24005054179108 0.75743795539390 0.66666666666667 15.999 > 73 78 O 0.74005054179108 0.75743795539390 0.66666666666667 15.999 > 73 79 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 79 80 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 79 81 O 0.25000000000000 0.50000000000000 0.33333333333333 15.999 > 79 82 O 0.75000000000000 0.50000000000000 0.33333333333333 15.999 > 79 83 O 0.25000000000000 0.50000000000000 0.66666666666667 15.999 > 79 84 O 0.75000000000000 0.50000000000000 0.66666666666667 15.999 > 79 85 O 0.25994945820892 0.24256204460610 0.00000000000000 15.999 > 85 86 O 0.75994945820892 0.24256204460610 0.00000000000000 15.999 > 85 87 O 0.25994945820892 0.24256204460610 0.33333333333333 15.999 > 85 88 O 0.75994945820892 0.24256204460610 0.33333333333333 15.999 > 85 89 O 0.25994945820892 0.24256204460610 0.66666666666667 15.999 > 85 90 O 0.75994945820892 0.24256204460610 0.66666666666667 15.999 > 85 91 O 0.34559868747760 0.90153869650719 0.16666666666667 15.999 > 91 92 O 0.84559868747760 0.90153869650719 0.16666666666667 15.999 > 91 93 O 0.34559868747760 0.90153869650719 0.50000000000000 15.999 > 91 94 O 0.84559868747760 0.90153869650719 0.50000000000000 15.999 > 91 95 O 0.34559868747760 0.90153869650719 0.83333333333333 15.999 > 91 96 O 0.84559868747760 0.90153869650719 0.83333333333333 15.999 > 91 97 O 0.40440131252240 0.40153869650719 0.16666666666667 15.999 > 97 98 O 0.90440131252240 0.40153869650719 0.16666666666667 15.999 > 97 99 O 0.40440131252240 0.40153869650719 0.50000000000000 15.999 > 97 100 O 0.90440131252240 0.40153869650719 0.50000000000000 15.999 > 97 101 O 0.40440131252240 0.40153869650719 0.83333333333333 15.999 > 97 102 O 0.90440131252240 0.40153869650719 0.83333333333333 15.999 > 97 103 O 0.49005054179108 0.74256204460610 0.00000000000000 15.999 > 103 104 O 0.99005054179108 0.74256204460610 0.00000000000000 15.999 > 103 105 O 0.49005054179108 0.74256204460610 0.33333333333333 15.999 > 103 106 O 0.99005054179108 0.74256204460610 0.33333333333333 15.999 > 103 107 O 0.49005054179108 0.74256204460610 0.66666666666667 15.999 > 103 108 O 0.99005054179108 0.74256204460610 0.66666666666667 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4863769 0.0000000 0.0000000 0.0000000 4.5758722 0.0000000 0.0000000 0.0000000 4.5169047 -------------------------- Born effective charges -------------------------- 1 Ba 2.7341808 -0.2508277 0.0000000 -0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 2 Ba 2.7341808 0.2508277 0.0000000 0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 3 Ba 2.7341808 0.2508277 0.0000000 0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 4 Ba 2.7341808 -0.2508277 0.0000000 -0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 5 Sc 3.4869462 -0.5742408 0.0000000 -0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 6 Sc 3.4869462 0.5742408 0.0000000 0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 7 Sc 3.4869462 0.5742408 0.0000000 0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 8 Sc 3.4869462 -0.5742408 0.0000000 -0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 9 O -2.4404581 -0.6271499 0.0000000 -0.8952933 -3.1706644 0.0000000 0.0000000 0.0000000 -2.1300326 10 O -2.8705403 0.7808022 0.0000000 0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 11 O -2.1303576 0.0752164 0.0000000 0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 12 O -2.1303576 -0.0752164 0.0000000 -0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 13 O -2.8705403 -0.7808022 0.0000000 -0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 14 O -2.4404581 0.6271499 0.0000000 0.8952933 -3.1706644 0.0000000 0.0000000 0.0000000 -2.1300326 15 O -2.8705403 -0.7808022 0.0000000 -0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 16 O -2.1303576 -0.0752164 0.0000000 -0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 17 O -2.1303576 0.0752164 0.0000000 0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 18 O -2.8705403 0.7808022 0.0000000 0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 23:49:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:49:38]------------------------- 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 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947547879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.772036389999998 0.000000000000000 c 0.000000000000000 0.000000000000000 3.981545319999999 Atomic positions (fractional): 1 Ba 0.23348626118895 0.87291559141874 0.50000000000000 137.327 2 Ba 0.26651373881105 0.37291559141874 0.50000000000000 137.327 3 Ba 0.73348626118895 0.62708440858126 0.50000000000000 137.327 4 Ba 0.76651373881105 0.12708440858126 0.50000000000000 137.327 5 Sc 0.26265752024879 0.63199392395954 0.00000000000000 44.956 6 Sc 0.23734247975121 0.13199392395954 0.00000000000000 44.956 7 Sc 0.76265752024879 0.86800607604046 0.00000000000000 44.956 8 Sc 0.73734247975121 0.36800607604046 0.00000000000000 44.956 9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 10 O 0.01989891641784 0.25743795539390 0.00000000000000 15.999 11 O 0.19119737495520 0.59846130349281 0.50000000000000 15.999 12 O 0.30880262504480 0.09846130349281 0.50000000000000 15.999 13 O 0.48010108358216 0.75743795539390 0.00000000000000 15.999 14 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 15 O 0.51989891641784 0.24256204460610 0.00000000000000 15.999 16 O 0.69119737495520 0.90153869650719 0.50000000000000 15.999 17 O 0.80880262504480 0.40153869650719 0.50000000000000 15.999 18 O 0.98010108358216 0.74256204460610 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.895095759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.772036389999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.944635959999998 Atomic positions (fractional): 1 Ba 0.11674313059448 0.87291559141874 0.16666666666667 137.327 > 1 2 Ba 0.61674313059448 0.87291559141874 0.16666666666667 137.327 > 1 3 Ba 0.11674313059448 0.87291559141874 0.50000000000000 137.327 > 1 4 Ba 0.61674313059448 0.87291559141874 0.50000000000000 137.327 > 1 5 Ba 0.11674313059448 0.87291559141874 0.83333333333333 137.327 > 1 6 Ba 0.61674313059448 0.87291559141874 0.83333333333333 137.327 > 1 7 Ba 0.13325686940552 0.37291559141874 0.16666666666667 137.327 > 7 8 Ba 0.63325686940552 0.37291559141874 0.16666666666667 137.327 > 7 9 Ba 0.13325686940552 0.37291559141874 0.50000000000000 137.327 > 7 10 Ba 0.63325686940552 0.37291559141874 0.50000000000000 137.327 > 7 11 Ba 0.13325686940552 0.37291559141874 0.83333333333333 137.327 > 7 12 Ba 0.63325686940552 0.37291559141874 0.83333333333333 137.327 > 7 13 Ba 0.36674313059448 0.62708440858126 0.16666666666667 137.327 > 13 14 Ba 0.86674313059448 0.62708440858126 0.16666666666667 137.327 > 13 15 Ba 0.36674313059448 0.62708440858126 0.50000000000000 137.327 > 13 16 Ba 0.86674313059448 0.62708440858126 0.50000000000000 137.327 > 13 17 Ba 0.36674313059448 0.62708440858126 0.83333333333333 137.327 > 13 18 Ba 0.86674313059448 0.62708440858126 0.83333333333333 137.327 > 13 19 Ba 0.38325686940552 0.12708440858126 0.16666666666667 137.327 > 19 20 Ba 0.88325686940552 0.12708440858126 0.16666666666667 137.327 > 19 21 Ba 0.38325686940552 0.12708440858126 0.50000000000000 137.327 > 19 22 Ba 0.88325686940552 0.12708440858126 0.50000000000000 137.327 > 19 23 Ba 0.38325686940552 0.12708440858126 0.83333333333333 137.327 > 19 24 Ba 0.88325686940552 0.12708440858126 0.83333333333333 137.327 > 19 25 Sc 0.13132876012440 0.63199392395954 0.00000000000000 44.956 > 25 26 Sc 0.63132876012440 0.63199392395954 0.00000000000000 44.956 > 25 27 Sc 0.13132876012440 0.63199392395954 0.33333333333333 44.956 > 25 28 Sc 0.63132876012440 0.63199392395954 0.33333333333333 44.956 > 25 29 Sc 0.13132876012440 0.63199392395954 0.66666666666667 44.956 > 25 30 Sc 0.63132876012440 0.63199392395954 0.66666666666667 44.956 > 25 31 Sc 0.11867123987560 0.13199392395954 0.00000000000000 44.956 > 31 32 Sc 0.61867123987560 0.13199392395954 0.00000000000000 44.956 > 31 33 Sc 0.11867123987560 0.13199392395954 0.33333333333333 44.956 > 31 34 Sc 0.61867123987560 0.13199392395954 0.33333333333333 44.956 > 31 35 Sc 0.11867123987560 0.13199392395954 0.66666666666667 44.956 > 31 36 Sc 0.61867123987560 0.13199392395954 0.66666666666667 44.956 > 31 37 Sc 0.38132876012440 0.86800607604046 0.00000000000000 44.956 > 37 38 Sc 0.88132876012440 0.86800607604046 0.00000000000000 44.956 > 37 39 Sc 0.38132876012440 0.86800607604046 0.33333333333333 44.956 > 37 40 Sc 0.88132876012440 0.86800607604046 0.33333333333333 44.956 > 37 41 Sc 0.38132876012440 0.86800607604046 0.66666666666667 44.956 > 37 42 Sc 0.88132876012440 0.86800607604046 0.66666666666667 44.956 > 37 43 Sc 0.36867123987560 0.36800607604046 0.00000000000000 44.956 > 43 44 Sc 0.86867123987560 0.36800607604046 0.00000000000000 44.956 > 43 45 Sc 0.36867123987560 0.36800607604046 0.33333333333333 44.956 > 43 46 Sc 0.86867123987560 0.36800607604046 0.33333333333333 44.956 > 43 47 Sc 0.36867123987560 0.36800607604046 0.66666666666667 44.956 > 43 48 Sc 0.86867123987560 0.36800607604046 0.66666666666667 44.956 > 43 49 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 49 51 O 0.00000000000000 0.00000000000000 0.33333333333333 15.999 > 49 52 O 0.50000000000000 0.00000000000000 0.33333333333333 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.66666666666667 15.999 > 49 54 O 0.50000000000000 0.00000000000000 0.66666666666667 15.999 > 49 55 O 0.00994945820892 0.25743795539390 0.00000000000000 15.999 > 55 56 O 0.50994945820892 0.25743795539390 0.00000000000000 15.999 > 55 57 O 0.00994945820892 0.25743795539390 0.33333333333333 15.999 > 55 58 O 0.50994945820892 0.25743795539390 0.33333333333333 15.999 > 55 59 O 0.00994945820892 0.25743795539390 0.66666666666667 15.999 > 55 60 O 0.50994945820892 0.25743795539390 0.66666666666667 15.999 > 55 61 O 0.09559868747760 0.59846130349281 0.16666666666667 15.999 > 61 62 O 0.59559868747760 0.59846130349281 0.16666666666667 15.999 > 61 63 O 0.09559868747760 0.59846130349281 0.50000000000000 15.999 > 61 64 O 0.59559868747760 0.59846130349281 0.50000000000000 15.999 > 61 65 O 0.09559868747760 0.59846130349281 0.83333333333333 15.999 > 61 66 O 0.59559868747760 0.59846130349281 0.83333333333333 15.999 > 61 67 O 0.15440131252240 0.09846130349281 0.16666666666667 15.999 > 67 68 O 0.65440131252240 0.09846130349281 0.16666666666667 15.999 > 67 69 O 0.15440131252240 0.09846130349281 0.50000000000000 15.999 > 67 70 O 0.65440131252240 0.09846130349281 0.50000000000000 15.999 > 67 71 O 0.15440131252240 0.09846130349281 0.83333333333333 15.999 > 67 72 O 0.65440131252240 0.09846130349281 0.83333333333333 15.999 > 67 73 O 0.24005054179108 0.75743795539390 0.00000000000000 15.999 > 73 74 O 0.74005054179108 0.75743795539390 0.00000000000000 15.999 > 73 75 O 0.24005054179108 0.75743795539390 0.33333333333333 15.999 > 73 76 O 0.74005054179108 0.75743795539390 0.33333333333333 15.999 > 73 77 O 0.24005054179108 0.75743795539390 0.66666666666667 15.999 > 73 78 O 0.74005054179108 0.75743795539390 0.66666666666667 15.999 > 73 79 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 79 80 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 79 81 O 0.25000000000000 0.50000000000000 0.33333333333333 15.999 > 79 82 O 0.75000000000000 0.50000000000000 0.33333333333333 15.999 > 79 83 O 0.25000000000000 0.50000000000000 0.66666666666667 15.999 > 79 84 O 0.75000000000000 0.50000000000000 0.66666666666667 15.999 > 79 85 O 0.25994945820892 0.24256204460610 0.00000000000000 15.999 > 85 86 O 0.75994945820892 0.24256204460610 0.00000000000000 15.999 > 85 87 O 0.25994945820892 0.24256204460610 0.33333333333333 15.999 > 85 88 O 0.75994945820892 0.24256204460610 0.33333333333333 15.999 > 85 89 O 0.25994945820892 0.24256204460610 0.66666666666667 15.999 > 85 90 O 0.75994945820892 0.24256204460610 0.66666666666667 15.999 > 85 91 O 0.34559868747760 0.90153869650719 0.16666666666667 15.999 > 91 92 O 0.84559868747760 0.90153869650719 0.16666666666667 15.999 > 91 93 O 0.34559868747760 0.90153869650719 0.50000000000000 15.999 > 91 94 O 0.84559868747760 0.90153869650719 0.50000000000000 15.999 > 91 95 O 0.34559868747760 0.90153869650719 0.83333333333333 15.999 > 91 96 O 0.84559868747760 0.90153869650719 0.83333333333333 15.999 > 91 97 O 0.40440131252240 0.40153869650719 0.16666666666667 15.999 > 97 98 O 0.90440131252240 0.40153869650719 0.16666666666667 15.999 > 97 99 O 0.40440131252240 0.40153869650719 0.50000000000000 15.999 > 97 100 O 0.90440131252240 0.40153869650719 0.50000000000000 15.999 > 97 101 O 0.40440131252240 0.40153869650719 0.83333333333333 15.999 > 97 102 O 0.90440131252240 0.40153869650719 0.83333333333333 15.999 > 97 103 O 0.49005054179108 0.74256204460610 0.00000000000000 15.999 > 103 104 O 0.99005054179108 0.74256204460610 0.00000000000000 15.999 > 103 105 O 0.49005054179108 0.74256204460610 0.33333333333333 15.999 > 103 106 O 0.99005054179108 0.74256204460610 0.33333333333333 15.999 > 103 107 O 0.49005054179108 0.74256204460610 0.66666666666667 15.999 > 103 108 O 0.99005054179108 0.74256204460610 0.66666666666667 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4863769 0.0000000 0.0000000 0.0000000 4.5758722 0.0000000 0.0000000 0.0000000 4.5169047 -------------------------- Born effective charges -------------------------- 1 Ba 2.7341808 -0.2508277 0.0000000 -0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 2 Ba 2.7341808 0.2508277 0.0000000 0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 3 Ba 2.7341808 0.2508277 0.0000000 0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 4 Ba 2.7341808 -0.2508277 0.0000000 -0.2605486 2.8003314 0.0000000 0.0000000 0.0000000 2.4184664 5 Sc 3.4869462 -0.5742408 0.0000000 -0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 6 Sc 3.4869462 0.5742408 0.0000000 0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 7 Sc 3.4869462 0.5742408 0.0000000 0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 8 Sc 3.4869462 -0.5742408 0.0000000 -0.7818946 3.5499350 0.0000000 0.0000000 0.0000000 4.0368750 9 O -2.4404581 -0.6271499 0.0000000 -0.8952933 -3.1706644 0.0000000 0.0000000 0.0000000 -2.1300326 10 O -2.8705403 0.7808022 0.0000000 0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 11 O -2.1303576 0.0752164 0.0000000 0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 12 O -2.1303576 -0.0752164 0.0000000 -0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 13 O -2.8705403 -0.7808022 0.0000000 -0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 14 O -2.4404581 0.6271499 0.0000000 0.8952933 -3.1706644 0.0000000 0.0000000 0.0000000 -2.1300326 15 O -2.8705403 -0.7808022 0.0000000 -0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 16 O -2.1303576 -0.0752164 0.0000000 -0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 17 O -2.1303576 0.0752164 0.0000000 0.1460516 -2.1384940 0.0000000 0.0000000 0.0000000 -3.5047073 18 O -2.8705403 0.7808022 0.0000000 0.7189160 -2.6264401 0.0000000 0.0000000 0.0000000 -1.8856179 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (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 ... [ 8 4 13 ] 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: 0.64, Number of G-points: 313, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 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 2.178 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.211 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 0.000) 0.000 8.820 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 8.882 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 9.235 ( 0.000 0.000 0.000) 0.000 9.423 ( 0.000 0.000 0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 10.609 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 11.664 ( 0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 12.050 ( 0.000 0.000 0.000) 0.000 12.892 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 0.000) 0.000 13.255 ( 0.000 0.000 0.000) 0.000 13.601 ( 0.000 0.000 0.000) 0.000 13.628 ( 0.000 0.000 0.000) 0.000 14.255 ( 0.000 0.000 0.000) 0.000 16.606 ( 0.000 0.000 0.000) 0.000 16.733 ( 0.000 0.000 0.000) 0.000 17.435 ( 0.000 0.000 0.000) 0.000 20.745 ( 0.000 0.000 0.000) 0.000 21.424 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 32.683 0.000 0.000) 32.683 0.720 ( 33.721 0.000 0.000) 33.721 1.160 ( 52.189 0.000 0.000) 52.189 2.301 ( 10.513 0.000 0.000) 10.513 2.365 ( 6.308 0.000 0.000) 6.308 2.546 ( 1.941 0.000 0.000) 1.941 2.663 ( 3.390 0.000 0.000) 3.390 2.846 ( -0.298 0.000 0.000) 0.298 2.933 ( -2.878 0.000 0.000) 2.878 2.959 ( 3.462 0.000 0.000) 3.462 3.134 ( 12.393 0.000 0.000) 12.393 3.592 ( -0.310 0.000 0.000) 0.310 4.419 ( 7.716 0.000 0.000) 7.716 4.635 ( -5.860 0.000 0.000) 5.860 4.871 ( 5.318 0.000 0.000) 5.318 4.971 ( 4.770 0.000 0.000) 4.770 5.224 ( -8.102 0.000 0.000) 8.102 5.337 ( -0.847 0.000 0.000) 0.847 5.382 ( -24.969 0.000 0.000) 24.969 5.547 ( 8.900 0.000 0.000) 8.900 5.798 ( -6.725 0.000 0.000) 6.725 5.840 ( 4.549 0.000 0.000) 4.549 6.033 ( -6.365 0.000 0.000) 6.365 6.748 ( 31.256 0.000 0.000) 31.256 7.153 ( 10.394 0.000 0.000) 10.394 7.275 ( 6.026 0.000 0.000) 6.026 7.565 ( -3.674 0.000 0.000) 3.674 7.629 ( 8.531 0.000 0.000) 8.531 7.928 ( -11.621 0.000 0.000) 11.621 8.287 ( 4.592 0.000 0.000) 4.592 8.770 ( -4.968 0.000 0.000) 4.968 8.796 ( -3.710 0.000 0.000) 3.710 8.893 ( 0.962 0.000 0.000) 0.962 8.982 ( -1.154 0.000 0.000) 1.154 9.215 ( -1.845 0.000 0.000) 1.845 9.405 ( -4.788 0.000 0.000) 4.788 10.420 ( -15.277 0.000 0.000) 15.277 10.576 ( -14.857 0.000 0.000) 14.857 11.020 ( -34.825 0.000 0.000) 34.825 11.111 ( -1.334 0.000 0.000) 1.334 11.582 ( 15.435 0.000 0.000) 15.435 12.307 ( 21.318 0.000 0.000) 21.318 12.852 ( 11.508 0.000 0.000) 11.508 13.034 ( 12.060 0.000 0.000) 12.060 13.268 ( 1.716 0.000 0.000) 1.716 13.271 ( 1.512 0.000 0.000) 1.512 13.590 ( -1.011 0.000 0.000) 1.011 13.617 ( -1.031 0.000 0.000) 1.031 14.346 ( 8.438 0.000 0.000) 8.438 16.336 ( -26.586 0.000 0.000) 26.586 17.815 ( 25.616 0.000 0.000) 25.616 19.857 ( 2.468 0.000 0.000) 2.468 20.618 ( -11.852 0.000 0.000) 11.852 21.299 ( -11.144 0.000 0.000) 11.144 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 30.170 0.000 0.000) 30.170 1.404 ( 31.005 0.000 0.000) 31.005 2.101 ( 33.941 0.000 0.000) 33.941 2.537 ( 9.358 0.000 0.000) 9.358 2.579 ( 15.959 0.000 0.000) 15.959 2.608 ( 3.706 0.000 0.000) 3.706 2.749 ( 3.911 0.000 0.000) 3.911 2.826 ( -1.623 0.000 0.000) 1.623 2.848 ( -4.526 0.000 0.000) 4.526 3.062 ( 5.980 0.000 0.000) 5.980 3.475 ( 17.910 0.000 0.000) 17.910 3.582 ( -0.468 0.000 0.000) 0.468 4.517 ( -5.040 0.000 0.000) 5.040 4.609 ( 9.315 0.000 0.000) 9.315 4.976 ( -12.936 0.000 0.000) 12.936 4.984 ( 5.591 0.000 0.000) 5.591 4.986 ( -13.788 0.000 0.000) 13.788 4.988 ( -10.595 0.000 0.000) 10.595 5.193 ( -1.609 0.000 0.000) 1.609 5.629 ( -8.771 0.000 0.000) 8.771 5.811 ( 7.592 0.000 0.000) 7.592 5.985 ( 9.315 0.000 0.000) 9.315 6.143 ( 21.716 0.000 0.000) 21.716 7.278 ( -4.250 0.000 0.000) 4.250 7.301 ( 11.818 0.000 0.000) 11.818 7.455 ( 0.112 0.000 0.000) 0.112 7.459 ( 11.220 0.000 0.000) 11.220 7.790 ( 4.764 0.000 0.000) 4.764 7.852 ( 11.964 0.000 0.000) 11.964 8.375 ( 4.133 0.000 0.000) 4.133 8.608 ( -10.161 0.000 0.000) 10.161 8.696 ( -5.933 0.000 0.000) 5.933 8.867 ( -11.086 0.000 0.000) 11.086 8.920 ( 1.594 0.000 0.000) 1.594 9.162 ( -3.103 0.000 0.000) 3.103 9.297 ( -3.693 0.000 0.000) 3.693 10.060 ( -17.700 0.000 0.000) 17.700 10.256 ( -34.645 0.000 0.000) 34.645 10.337 ( -7.762 0.000 0.000) 7.762 11.047 ( -5.372 0.000 0.000) 5.372 11.948 ( 18.077 0.000 0.000) 18.077 12.605 ( 7.478 0.000 0.000) 7.478 13.152 ( 15.531 0.000 0.000) 15.531 13.315 ( 2.643 0.000 0.000) 2.643 13.318 ( 2.983 0.000 0.000) 2.983 13.321 ( 13.521 0.000 0.000) 13.521 13.559 ( -1.943 0.000 0.000) 1.943 13.585 ( -2.026 0.000 0.000) 2.026 14.584 ( 13.123 0.000 0.000) 13.123 15.798 ( -23.344 0.000 0.000) 23.344 18.342 ( 23.826 0.000 0.000) 23.826 19.939 ( 5.506 0.000 0.000) 5.506 20.266 ( -20.853 0.000 0.000) 20.853 20.999 ( -16.307 0.000 0.000) 16.307 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 24.287 0.000 0.000) 24.287 2.004 ( 25.493 0.000 0.000) 25.493 2.525 ( 9.784 0.000 0.000) 9.784 2.647 ( -8.663 0.000 0.000) 8.663 2.679 ( 2.214 0.000 0.000) 2.214 2.707 ( -7.671 0.000 0.000) 7.671 2.727 ( 7.962 0.000 0.000) 7.962 2.848 ( 2.253 0.000 0.000) 2.253 3.039 ( 16.942 0.000 0.000) 16.942 3.188 ( 5.273 0.000 0.000) 5.273 3.600 ( 3.181 0.000 0.000) 3.181 3.769 ( 6.928 0.000 0.000) 6.928 4.442 ( -1.466 0.000 0.000) 1.466 4.690 ( -13.050 0.000 0.000) 13.050 4.705 ( -9.443 0.000 0.000) 9.443 4.746 ( -0.073 0.000 0.000) 0.073 4.860 ( 4.128 0.000 0.000) 4.128 5.111 ( 6.608 0.000 0.000) 6.608 5.174 ( -4.045 0.000 0.000) 4.045 5.442 ( -8.820 0.000 0.000) 8.820 6.045 ( 17.344 0.000 0.000) 17.344 6.230 ( 13.874 0.000 0.000) 13.874 6.675 ( 18.890 0.000 0.000) 18.890 7.040 ( -21.734 0.000 0.000) 21.734 7.061 ( -5.876 0.000 0.000) 5.876 7.652 ( 1.014 0.000 0.000) 1.014 7.732 ( 14.418 0.000 0.000) 14.418 8.108 ( 11.997 0.000 0.000) 11.997 8.109 ( 21.060 0.000 0.000) 21.060 8.355 ( -13.647 0.000 0.000) 13.647 8.472 ( 5.770 0.000 0.000) 5.770 8.545 ( -8.362 0.000 0.000) 8.362 8.596 ( -10.826 0.000 0.000) 10.826 8.962 ( 2.394 0.000 0.000) 2.394 9.091 ( -3.500 0.000 0.000) 3.500 9.282 ( 1.281 0.000 0.000) 1.281 9.490 ( -34.589 0.000 0.000) 34.589 9.708 ( -15.265 0.000 0.000) 15.265 10.372 ( 8.134 0.000 0.000) 8.134 10.874 ( -10.948 0.000 0.000) 10.948 12.300 ( 14.694 0.000 0.000) 14.694 12.658 ( -1.772 0.000 0.000) 1.772 13.378 ( 3.181 0.000 0.000) 3.181 13.388 ( 3.542 0.000 0.000) 3.542 13.448 ( 11.473 0.000 0.000) 11.473 13.510 ( -2.679 0.000 0.000) 2.679 13.533 ( -2.886 0.000 0.000) 2.886 13.546 ( 7.044 0.000 0.000) 7.044 14.857 ( 12.234 0.000 0.000) 12.234 15.381 ( -16.184 0.000 0.000) 16.184 18.819 ( 21.985 0.000 0.000) 21.985 19.784 ( -24.040 0.000 0.000) 24.040 20.094 ( 9.349 0.000 0.000) 9.349 20.650 ( -16.308 0.000 0.000) 16.308 ======================= Grid point 4 (5/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -16.379 0.000 0.000) 16.379 2.366 ( 16.379 0.000 0.000) 16.379 2.453 ( -16.813 0.000 0.000) 16.813 2.453 ( 16.813 0.000 0.000) 16.813 2.672 ( -3.160 0.000 0.000) 3.160 2.672 ( 3.160 0.000 0.000) 3.160 2.846 ( -2.915 0.000 0.000) 2.915 2.846 ( 2.915 0.000 0.000) 2.915 3.238 ( -2.100 0.000 0.000) 2.100 3.238 ( 2.100 0.000 0.000) 2.100 3.727 ( -7.525 0.000 0.000) 7.525 3.727 ( 7.525 0.000 0.000) 7.525 4.484 ( -5.945 0.000 0.000) 5.945 4.484 ( 5.945 0.000 0.000) 5.945 4.676 ( -3.896 0.000 0.000) 3.896 4.676 ( 3.896 0.000 0.000) 3.896 5.027 ( -8.802 0.000 0.000) 8.802 5.027 ( 8.802 0.000 0.000) 8.802 5.264 ( -7.955 0.000 0.000) 7.955 5.264 ( 7.955 0.000 0.000) 7.955 6.517 ( -24.892 0.000 0.000) 24.892 6.517 ( 24.892 0.000 0.000) 24.892 6.553 ( -14.942 0.000 0.000) 14.942 6.553 ( 14.942 0.000 0.000) 14.942 7.399 ( -21.822 0.000 0.000) 21.822 7.399 ( 21.822 0.000 0.000) 21.822 8.048 ( -15.190 0.000 0.000) 15.190 8.048 ( 15.190 0.000 0.000) 15.190 8.346 ( -10.516 0.000 0.000) 10.516 8.346 ( 10.516 0.000 0.000) 10.516 8.448 ( -6.884 0.000 0.000) 6.884 8.448 ( 6.884 0.000 0.000) 6.884 8.781 ( -27.565 0.000 0.000) 27.565 8.781 ( 27.565 0.000 0.000) 27.565 9.020 ( -3.150 0.000 0.000) 3.150 9.020 ( 3.150 0.000 0.000) 3.150 9.435 ( -10.207 0.000 0.000) 10.207 9.435 ( 10.207 0.000 0.000) 10.207 10.611 ( -13.141 0.000 0.000) 13.141 10.611 ( 13.141 0.000 0.000) 13.141 12.547 ( -8.592 0.000 0.000) 8.592 12.547 ( 8.592 0.000 0.000) 8.592 13.443 ( -2.183 0.000 0.000) 2.183 13.443 ( 2.183 0.000 0.000) 2.183 13.468 ( -2.493 0.000 0.000) 2.493 13.468 ( 2.493 0.000 0.000) 2.493 13.598 ( -2.357 0.000 0.000) 2.357 13.598 ( 2.357 0.000 0.000) 2.357 15.099 ( -11.532 0.000 0.000) 11.532 15.099 ( 11.532 0.000 0.000) 11.532 19.287 ( -22.926 0.000 0.000) 22.926 19.287 ( 22.926 0.000 0.000) 22.926 20.334 ( -13.423 0.000 0.000) 13.423 20.334 ( 13.423 0.000 0.000) 13.423 ======================= Grid point 9 (6/105) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 0.000 33.502 0.000) 33.502 0.732 ( 0.000 33.104 0.000) 33.104 1.177 ( 0.000 50.789 0.000) 50.789 1.942 ( 0.000 -16.843 0.000) 16.843 1.984 ( 0.000 -23.232 0.000) 23.232 2.679 ( 0.000 7.934 0.000) 7.934 2.748 ( 0.000 6.116 0.000) 6.116 2.797 ( 0.000 -14.972 0.000) 14.972 2.847 ( 0.000 -0.120 0.000) 0.120 2.915 ( 0.000 -3.248 0.000) 3.248 3.004 ( 0.000 4.113 0.000) 4.113 3.448 ( 0.000 -13.008 0.000) 13.008 4.444 ( 0.000 8.310 0.000) 8.310 4.742 ( 0.000 -0.363 0.000) 0.363 4.756 ( 0.000 -0.597 0.000) 0.597 4.930 ( 0.000 2.226 0.000) 2.226 5.053 ( 0.000 -15.481 0.000) 15.481 5.189 ( 0.000 -6.123 0.000) 6.123 5.417 ( 0.000 8.981 0.000) 8.981 5.812 ( 0.000 -5.989 0.000) 5.989 5.845 ( 0.000 -1.547 0.000) 1.547 5.849 ( 0.000 -1.626 0.000) 1.626 6.023 ( 0.000 9.923 0.000) 9.923 6.653 ( 0.000 24.114 0.000) 24.114 6.812 ( 0.000 -16.262 0.000) 16.262 7.244 ( 0.000 3.075 0.000) 3.075 7.437 ( 0.000 -10.269 0.000) 10.269 7.466 ( 0.000 -5.454 0.000) 5.454 7.920 ( 0.000 6.760 0.000) 6.760 8.106 ( 0.000 -1.052 0.000) 1.052 8.823 ( 0.000 0.283 0.000) 0.283 8.838 ( 0.000 -0.239 0.000) 0.239 8.947 ( 0.000 5.535 0.000) 5.535 9.194 ( 0.000 -3.847 0.000) 3.847 9.528 ( 0.000 8.933 0.000) 8.933 9.640 ( 0.000 17.215 0.000) 17.215 10.146 ( 0.000 -19.801 0.000) 19.801 10.733 ( 0.000 -26.694 0.000) 26.694 11.048 ( 0.000 19.859 0.000) 19.859 11.696 ( 0.000 -8.959 0.000) 8.959 11.812 ( 0.000 7.779 0.000) 7.779 12.028 ( 0.000 -2.335 0.000) 2.335 12.086 ( 0.000 16.683 0.000) 16.683 12.773 ( 0.000 -10.733 0.000) 10.733 13.250 ( 0.000 0.054 0.000) 0.054 13.254 ( 0.000 -0.080 0.000) 0.080 13.605 ( 0.000 0.368 0.000) 0.368 13.624 ( 0.000 -0.347 0.000) 0.347 16.629 ( 0.000 1.981 0.000) 1.981 16.718 ( 0.000 -1.347 0.000) 1.347 17.381 ( 0.000 0.668 0.000) 0.668 17.424 ( 0.000 -0.941 0.000) 0.941 21.449 ( 0.000 2.239 0.000) 2.239 21.568 ( 0.000 -2.150 0.000) 2.150 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 23.214 23.254 0.000) 32.858 1.030 ( 21.049 24.372 0.000) 32.203 1.586 ( 32.833 30.655 0.000) 44.919 2.076 ( 12.594 -12.963 0.000) 18.073 2.079 ( 8.557 -21.237 0.000) 22.896 2.682 ( 0.735 6.953 0.000) 6.991 2.773 ( 2.196 5.328 0.000) 5.763 2.845 ( -0.695 -6.881 0.000) 6.916 2.849 ( -0.012 0.164 0.000) 0.165 2.991 ( 10.467 -11.115 0.000) 15.268 3.052 ( 4.767 5.008 0.000) 6.914 3.479 ( 2.397 -10.763 0.000) 11.027 4.359 ( 0.822 0.345 0.000) 0.891 4.659 ( -4.687 2.231 0.000) 5.191 4.739 ( -9.570 -14.672 0.000) 17.517 4.811 ( 1.925 -4.248 0.000) 4.664 5.276 ( 9.304 -0.323 0.000) 9.310 5.346 ( -6.275 9.621 0.000) 11.487 5.473 ( 11.486 -6.482 0.000) 13.189 5.684 ( 0.182 12.096 0.000) 12.097 5.736 ( -6.494 -5.707 0.000) 8.645 5.900 ( -4.414 5.001 0.000) 6.671 6.125 ( 2.427 13.634 0.000) 13.848 6.728 ( 18.020 -5.106 0.000) 18.730 7.038 ( 13.740 -8.882 0.000) 16.361 7.313 ( 6.390 3.510 0.000) 7.290 7.346 ( -8.698 -12.496 0.000) 15.225 7.558 ( 8.116 -5.903 0.000) 10.036 8.066 ( -2.583 6.285 0.000) 6.795 8.096 ( 10.530 -2.847 0.000) 10.908 8.784 ( -3.912 0.784 0.000) 3.990 8.798 ( -3.760 0.085 0.000) 3.761 8.943 ( -0.001 4.710 0.000) 4.710 9.175 ( -1.695 -3.719 0.000) 4.087 9.325 ( -11.751 16.129 0.000) 19.955 9.591 ( -4.940 17.238 0.000) 17.932 10.044 ( -9.342 -21.808 0.000) 23.725 10.643 ( -12.058 -23.862 0.000) 26.736 10.748 ( -19.966 12.754 0.000) 23.691 11.178 ( -24.626 -2.307 0.000) 24.733 11.835 ( 7.376 13.117 0.000) 15.048 12.256 ( 15.787 -7.051 0.000) 17.290 12.666 ( 28.153 6.011 0.000) 28.788 13.149 ( 25.603 -6.247 0.000) 26.354 13.268 ( 1.687 0.026 0.000) 1.687 13.270 ( 1.543 -0.051 0.000) 1.543 13.594 ( -1.014 0.366 0.000) 1.078 13.613 ( -1.028 -0.345 0.000) 1.084 15.240 ( -45.213 48.689 0.000) 66.444 16.264 ( -29.544 -7.506 0.000) 30.483 17.855 ( 27.623 4.479 0.000) 27.984 18.706 ( 43.892 -48.004 0.000) 65.045 21.206 ( -24.118 14.903 0.000) 28.350 21.315 ( -11.905 1.260 0.000) 11.971 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 23.990 13.739 0.000) 27.646 1.560 ( 26.824 13.621 0.000) 30.085 2.175 ( 17.876 -3.859 0.000) 18.288 2.312 ( 12.720 -16.522 0.000) 20.851 2.464 ( 20.976 4.826 0.000) 21.524 2.740 ( 5.002 5.049 0.000) 7.108 2.803 ( -0.374 -2.388 0.000) 2.417 2.822 ( 0.807 2.857 0.000) 2.968 2.840 ( -0.080 1.239 0.000) 1.241 3.139 ( 5.904 5.450 0.000) 8.035 3.326 ( 16.068 -11.193 0.000) 19.582 3.542 ( 4.163 -5.977 0.000) 7.284 4.437 ( 3.133 -7.872 0.000) 8.472 4.558 ( -4.631 3.707 0.000) 5.932 4.628 ( 0.427 -13.599 0.000) 13.606 4.806 ( -3.482 -7.511 0.000) 8.279 5.201 ( -5.601 10.626 0.000) 12.012 5.276 ( -9.727 8.243 0.000) 12.750 5.506 ( -11.528 14.619 0.000) 18.617 5.573 ( -8.407 -5.178 0.000) 9.873 5.654 ( 9.045 0.498 0.000) 9.058 6.115 ( 22.368 3.629 0.000) 22.660 6.304 ( 13.059 14.961 0.000) 19.858 7.006 ( -8.315 -17.424 0.000) 19.306 7.204 ( 8.636 -8.738 0.000) 12.285 7.344 ( 14.117 -10.853 0.000) 17.807 7.502 ( 11.238 3.960 0.000) 11.915 7.772 ( 11.528 -6.554 0.000) 13.261 8.001 ( -2.437 12.915 0.000) 13.143 8.281 ( 6.602 -3.179 0.000) 7.328 8.644 ( -9.057 2.513 0.000) 9.399 8.695 ( -6.175 -0.156 0.000) 6.177 8.952 ( 0.829 3.071 0.000) 3.181 9.112 ( -10.611 16.069 0.000) 19.256 9.128 ( -2.632 -3.116 0.000) 4.079 9.443 ( -7.350 13.833 0.000) 15.664 9.855 ( -7.312 -17.656 0.000) 19.110 10.151 ( -30.924 -9.819 0.000) 32.446 10.350 ( -15.583 4.747 0.000) 16.290 10.855 ( -9.488 -15.145 0.000) 17.872 12.101 ( 15.285 11.079 0.000) 18.878 12.530 ( 10.138 -7.104 0.000) 12.379 13.191 ( 21.214 10.647 0.000) 23.736 13.316 ( 2.695 0.028 0.000) 2.695 13.318 ( 2.935 -0.049 0.000) 2.936 13.563 ( -1.956 0.352 0.000) 1.988 13.581 ( -2.015 -0.333 0.000) 2.043 13.587 ( 14.672 6.841 0.000) 16.188 14.778 ( -5.223 20.484 0.000) 21.140 15.686 ( -24.063 -10.966 0.000) 26.444 18.398 ( 23.368 6.089 0.000) 24.148 19.251 ( 13.950 -35.837 0.000) 38.456 20.728 ( -20.746 18.023 0.000) 27.481 20.999 ( -16.917 -0.357 0.000) 16.921 ======================= Grid point 12 (9/105) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 21.300 6.146 0.000) 22.169 2.093 ( 23.051 8.028 0.000) 24.409 2.446 ( 9.525 -9.519 0.000) 13.467 2.569 ( 10.192 -10.635 0.000) 14.730 2.618 ( -4.214 1.389 0.000) 4.437 2.693 ( -2.497 -0.633 0.000) 2.576 2.754 ( -5.458 2.356 0.000) 5.945 2.858 ( -0.488 -0.631 0.000) 0.798 3.101 ( 15.930 6.488 0.000) 17.201 3.267 ( 5.453 6.663 0.000) 8.610 3.570 ( 7.536 -5.204 0.000) 9.158 3.689 ( 7.315 -6.880 0.000) 10.043 4.453 ( -0.582 -7.105 0.000) 7.129 4.483 ( -1.901 3.580 0.000) 4.053 4.627 ( -5.297 -10.131 0.000) 11.432 4.657 ( -9.010 -2.976 0.000) 9.488 5.094 ( -0.250 13.146 0.000) 13.148 5.167 ( 2.049 4.859 0.000) 5.273 5.344 ( -6.148 5.491 0.000) 8.243 5.400 ( -7.786 -3.838 0.000) 8.680 5.904 ( 14.618 0.359 0.000) 14.623 6.508 ( 11.901 5.049 0.000) 12.928 6.650 ( -3.831 -7.849 0.000) 8.734 6.763 ( 14.485 7.514 0.000) 16.318 7.324 ( -3.638 4.505 0.000) 5.791 7.540 ( 2.205 -10.102 0.000) 10.340 7.767 ( 13.559 3.256 0.000) 13.945 8.011 ( 10.029 -6.921 0.000) 12.185 8.067 ( 10.818 0.943 0.000) 10.859 8.370 ( 1.700 -5.635 0.000) 5.886 8.427 ( -10.563 4.639 0.000) 11.537 8.539 ( -8.539 -0.753 0.000) 8.573 8.860 ( -10.161 16.939 0.000) 19.753 8.978 ( 1.571 1.497 0.000) 2.170 9.071 ( -2.702 -1.841 0.000) 3.269 9.376 ( 0.725 6.407 0.000) 6.448 9.439 ( -30.803 -3.134 0.000) 30.962 9.716 ( -10.090 -0.460 0.000) 10.101 10.219 ( 3.417 -9.066 0.000) 9.689 10.647 ( -11.047 -18.379 0.000) 21.444 12.408 ( 12.837 8.111 0.000) 15.185 12.660 ( 1.923 -1.314 0.000) 2.329 13.379 ( 3.238 0.132 0.000) 3.241 13.387 ( 3.493 -0.144 0.000) 3.496 13.513 ( -2.713 0.310 0.000) 2.731 13.530 ( -2.859 -0.298 0.000) 2.875 13.554 ( 13.427 11.760 0.000) 17.849 13.772 ( 3.593 12.952 0.000) 13.441 14.831 ( 7.179 0.108 0.000) 7.180 15.272 ( -15.464 -10.142 0.000) 18.494 18.842 ( 19.257 3.119 0.000) 19.508 19.389 ( -1.054 -22.453 0.000) 22.478 20.388 ( -9.353 14.121 0.000) 16.937 20.648 ( -15.644 -0.657 0.000) 15.658 ======================= Grid point 13 (10/105) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -14.377 1.178 0.000) 14.425 2.378 ( 14.377 1.178 0.000) 14.425 2.497 ( -14.673 3.852 0.000) 15.170 2.497 ( 14.673 3.852 0.000) 15.170 2.628 ( -5.017 -3.364 0.000) 6.040 2.628 ( 5.017 -3.364 0.000) 6.040 2.792 ( -5.848 -4.569 0.000) 7.422 2.792 ( 5.848 -4.569 0.000) 7.422 3.305 ( -3.393 6.372 0.000) 7.219 3.305 ( 3.393 6.372 0.000) 7.219 3.708 ( -4.956 -4.059 0.000) 6.406 3.708 ( 4.956 -4.059 0.000) 6.406 4.485 ( -5.119 -8.257 0.000) 9.715 4.485 ( 5.120 -8.257 0.000) 9.715 4.505 ( -4.377 1.580 0.000) 4.654 4.505 ( 4.377 1.580 0.000) 4.654 5.207 ( -7.221 8.234 0.000) 10.952 5.207 ( 7.221 8.234 0.000) 10.952 5.255 ( -5.812 -0.716 0.000) 5.855 5.255 ( 5.812 -0.716 0.000) 5.855 6.253 ( -17.968 -9.079 0.000) 20.132 6.253 ( 17.968 -9.079 0.000) 20.132 6.894 ( -13.970 16.002 0.000) 21.242 6.894 ( 13.970 16.002 0.000) 21.242 7.382 ( -14.467 -1.619 0.000) 14.557 7.382 ( 14.467 -1.619 0.000) 14.557 8.037 ( -10.076 -0.762 0.000) 10.105 8.037 ( 10.076 -0.762 0.000) 10.105 8.322 ( -8.155 -8.524 0.000) 11.796 8.322 ( 8.155 -8.524 0.000) 11.796 8.359 ( -6.754 0.895 0.000) 6.813 8.359 ( 6.754 0.895 0.000) 6.813 8.885 ( -16.102 6.203 0.000) 17.256 8.885 ( 16.102 6.203 0.000) 17.256 9.018 ( -2.246 -0.175 0.000) 2.253 9.018 ( 2.246 -0.175 0.000) 2.253 9.504 ( -9.060 6.802 0.000) 11.329 9.504 ( 9.060 6.802 0.000) 11.329 10.400 ( -11.605 -16.532 0.000) 20.199 10.400 ( 11.605 -16.532 0.000) 20.199 12.612 ( -6.256 4.257 0.000) 7.567 12.612 ( 6.256 4.257 0.000) 7.567 13.444 ( -1.790 0.132 0.000) 1.795 13.444 ( 1.790 0.132 0.000) 1.795 13.467 ( -2.010 -0.132 0.000) 2.014 13.467 ( 2.010 -0.132 0.000) 2.014 13.753 ( -5.307 12.256 0.000) 13.356 13.753 ( 5.307 12.256 0.000) 13.356 15.013 ( -9.960 -7.083 0.000) 12.221 15.013 ( 9.960 -7.083 0.000) 12.221 19.207 ( -14.668 -5.659 0.000) 15.722 19.207 ( 14.668 -5.659 0.000) 15.722 20.385 ( -7.951 3.510 0.000) 8.692 20.385 ( 7.951 3.510 0.000) 8.692 ======================= Grid point 18 (11/105) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 -25.910 0.000) 25.910 1.373 ( 0.000 25.910 0.000) 25.910 1.407 ( 0.000 -30.242 0.000) 30.242 1.407 ( 0.000 30.242 0.000) 30.242 2.240 ( 0.000 -36.847 0.000) 36.847 2.240 ( 0.000 36.847 0.000) 36.847 2.825 ( 0.000 -5.530 0.000) 5.530 2.825 ( 0.000 5.530 0.000) 5.530 2.830 ( 0.000 -1.907 0.000) 1.907 2.830 ( 0.000 1.907 0.000) 1.907 3.161 ( 0.000 -11.160 0.000) 11.160 3.161 ( 0.000 11.160 0.000) 11.160 4.702 ( 0.000 -15.508 0.000) 15.508 4.702 ( 0.000 15.508 0.000) 15.508 4.743 ( 0.000 -0.462 0.000) 0.462 4.743 ( 0.000 0.462 0.000) 0.462 5.036 ( 0.000 -7.174 0.000) 7.174 5.036 ( 0.000 7.174 0.000) 7.174 5.634 ( 0.000 -10.210 0.000) 10.210 5.634 ( 0.000 10.210 0.000) 10.210 5.825 ( 0.000 -0.075 0.000) 0.075 5.825 ( 0.000 0.075 0.000) 0.075 6.390 ( 0.000 -20.953 0.000) 20.953 6.390 ( 0.000 20.953 0.000) 20.953 7.128 ( 0.000 -19.296 0.000) 19.296 7.128 ( 0.000 19.296 0.000) 19.296 7.339 ( 0.000 -5.692 0.000) 5.692 7.339 ( 0.000 5.692 0.000) 5.692 8.046 ( 0.000 -4.769 0.000) 4.769 8.046 ( 0.000 4.769 0.000) 4.769 8.831 ( 0.000 -0.395 0.000) 0.395 8.831 ( 0.000 0.395 0.000) 0.395 9.081 ( 0.000 -6.375 0.000) 6.375 9.081 ( 0.000 6.375 0.000) 6.375 9.777 ( 0.000 -14.582 0.000) 14.582 9.777 ( 0.000 14.582 0.000) 14.582 10.138 ( 0.000 -27.568 0.000) 27.568 10.138 ( 0.000 27.568 0.000) 27.568 11.431 ( 0.000 -15.662 0.000) 15.662 11.431 ( 0.000 15.662 0.000) 15.662 11.946 ( 0.000 -5.225 0.000) 5.225 11.946 ( 0.000 5.225 0.000) 5.225 12.467 ( 0.000 -17.244 0.000) 17.244 12.467 ( 0.000 17.244 0.000) 17.244 13.252 ( 0.000 -0.094 0.000) 0.094 13.252 ( 0.000 0.094 0.000) 0.094 13.615 ( 0.000 -0.505 0.000) 0.505 13.615 ( 0.000 0.505 0.000) 0.505 16.678 ( 0.000 -2.316 0.000) 2.316 16.678 ( 0.000 2.316 0.000) 2.316 17.400 ( 0.000 -1.136 0.000) 1.136 17.400 ( 0.000 1.136 0.000) 1.136 21.509 ( 0.000 -3.100 0.000) 3.100 21.509 ( 0.000 3.100 0.000) 3.100 ======================= Grid point 20 (12/105) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 14.264 -22.721 0.000) 26.827 1.554 ( 14.264 22.721 0.000) 26.827 1.561 ( 13.671 -26.332 0.000) 29.669 1.561 ( 13.671 26.332 0.000) 29.669 2.430 ( 16.339 -31.085 0.000) 35.117 2.430 ( 16.339 31.085 0.000) 35.117 2.809 ( -0.061 -5.446 0.000) 5.446 2.809 ( -0.061 5.446 0.000) 5.446 2.841 ( 0.832 -1.346 0.000) 1.582 2.841 ( 0.832 1.346 0.000) 1.582 3.222 ( 4.916 -10.814 0.000) 11.879 3.222 ( 4.916 10.814 0.000) 11.879 4.476 ( -8.947 -9.614 0.000) 13.133 4.476 ( -8.947 9.614 0.000) 13.133 4.724 ( -1.875 -3.722 0.000) 4.168 4.724 ( -1.875 3.722 0.000) 4.168 5.328 ( 13.761 -5.369 0.000) 14.772 5.328 ( 13.761 5.369 0.000) 14.772 5.565 ( -5.971 -9.934 0.000) 11.590 5.565 ( -5.971 9.934 0.000) 11.590 5.889 ( 4.702 -6.680 0.000) 8.169 5.889 ( 4.702 6.680 0.000) 8.169 6.484 ( 8.386 -17.277 0.000) 19.205 6.484 ( 8.386 17.277 0.000) 19.205 7.062 ( -3.547 -12.166 0.000) 12.673 7.062 ( -3.547 12.166 0.000) 12.673 7.419 ( 7.248 -6.299 0.000) 9.602 7.419 ( 7.248 6.299 0.000) 9.602 8.118 ( 5.474 -1.358 0.000) 5.640 8.118 ( 5.474 1.358 0.000) 5.640 8.796 ( -3.420 -0.340 0.000) 3.436 8.796 ( -3.420 0.340 0.000) 3.436 9.067 ( -1.189 -6.068 0.000) 6.183 9.067 ( -1.189 6.068 0.000) 6.183 9.641 ( -10.185 -15.707 0.000) 18.720 9.641 ( -10.185 15.707 0.000) 18.720 10.084 ( -6.112 -26.453 0.000) 27.150 10.084 ( -6.112 26.453 0.000) 27.150 11.023 ( -26.692 -11.215 0.000) 28.952 11.023 ( -26.692 11.215 0.000) 28.952 12.073 ( 10.671 -9.741 0.000) 14.448 12.073 ( 10.671 9.741 0.000) 14.448 12.914 ( 29.969 -13.561 0.000) 32.894 12.914 ( 29.969 13.561 0.000) 32.894 13.269 ( 1.615 -0.054 0.000) 1.616 13.269 ( 1.615 0.054 0.000) 1.616 13.604 ( -1.021 -0.502 0.000) 1.138 13.604 ( -1.021 0.502 0.000) 1.138 15.968 ( -39.166 -21.943 0.000) 44.894 15.968 ( -39.166 21.943 0.000) 44.894 18.061 ( 35.360 -16.913 0.000) 39.197 18.061 ( 35.360 16.913 0.000) 39.197 21.331 ( -15.200 -0.686 0.000) 15.215 21.331 ( -15.200 0.686 0.000) 15.215 ======================= Grid point 22 (13/105) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 15.690 -18.381 0.000) 24.167 1.876 ( 15.690 18.381 0.000) 24.167 1.922 ( 19.196 -19.003 0.000) 27.011 1.922 ( 19.196 19.003 0.000) 27.011 2.685 ( 2.510 -7.443 0.000) 7.855 2.685 ( 2.510 7.443 0.000) 7.855 2.853 ( -0.108 -0.479 0.000) 0.491 2.853 ( -0.108 0.479 0.000) 0.491 2.972 ( 17.281 -15.556 0.000) 23.251 2.972 ( 17.281 15.556 0.000) 23.251 3.349 ( 7.287 -9.832 0.000) 12.238 3.349 ( 7.287 9.832 0.000) 12.238 4.420 ( 2.164 -5.609 0.000) 6.012 4.420 ( 2.164 5.609 0.000) 6.012 4.663 ( -3.848 -5.941 0.000) 7.078 4.663 ( -3.848 5.941 0.000) 7.078 5.417 ( -7.271 -9.206 0.000) 11.732 5.417 ( -7.271 9.206 0.000) 11.732 5.422 ( -4.513 -6.623 0.000) 8.014 5.422 ( -4.513 6.623 0.000) 8.014 6.024 ( 8.250 -14.610 0.000) 16.778 6.024 ( 8.250 14.610 0.000) 16.778 6.658 ( 7.148 -16.572 0.000) 18.048 6.658 ( 7.148 16.572 0.000) 18.048 7.114 ( 9.346 -5.328 0.000) 10.758 7.114 ( 9.346 5.328 0.000) 10.758 7.620 ( 11.271 -6.921 0.000) 13.226 7.620 ( 11.271 6.921 0.000) 13.226 8.211 ( 2.181 -5.983 0.000) 6.369 8.211 ( 2.181 5.983 0.000) 6.369 8.684 ( -7.170 -1.063 0.000) 7.248 8.684 ( -7.170 1.063 0.000) 7.248 9.040 ( -1.160 -4.692 0.000) 4.833 9.040 ( -1.160 4.692 0.000) 4.833 9.459 ( -6.459 -17.309 0.000) 18.475 9.459 ( -6.459 17.309 0.000) 18.475 9.832 ( -17.378 -19.022 0.000) 25.765 9.832 ( -17.378 19.022 0.000) 25.765 10.540 ( -17.712 -12.592 0.000) 21.732 10.540 ( -17.712 12.592 0.000) 21.732 12.338 ( 13.155 -10.521 0.000) 16.845 12.338 ( 13.155 10.521 0.000) 16.845 13.317 ( 2.817 -0.055 0.000) 2.818 13.317 ( 2.817 0.055 0.000) 2.818 13.479 ( 22.169 -12.960 0.000) 25.679 13.479 ( 22.169 12.960 0.000) 25.679 13.572 ( -1.987 -0.483 0.000) 2.045 13.572 ( -1.987 0.483 0.000) 2.045 15.312 ( -22.772 -24.026 0.000) 33.103 15.312 ( -22.772 24.026 0.000) 33.103 18.655 ( 21.611 -19.481 0.000) 29.095 18.655 ( 21.611 19.481 0.000) 29.095 20.954 ( -18.966 -4.946 0.000) 19.600 20.954 ( -18.966 4.946 0.000) 19.600 ======================= Grid point 24 (14/105) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 14.290 -11.905 0.000) 18.600 2.199 ( 14.290 11.905 0.000) 18.600 2.316 ( 17.268 -12.155 0.000) 21.118 2.316 ( 17.268 12.155 0.000) 21.118 2.661 ( -3.631 -2.020 0.000) 4.155 2.661 ( -3.631 2.020 0.000) 4.155 2.815 ( -3.978 -2.951 0.000) 4.953 2.815 ( -3.978 2.951 0.000) 4.953 3.300 ( 12.230 -9.772 0.000) 15.655 3.300 ( 12.230 9.772 0.000) 15.655 3.511 ( 6.483 -7.796 0.000) 10.139 3.511 ( 6.483 7.796 0.000) 10.139 4.459 ( -0.839 -5.754 0.000) 5.815 4.459 ( -0.839 5.754 0.000) 5.815 4.574 ( -4.000 -4.509 0.000) 6.027 4.574 ( -4.000 4.509 0.000) 6.027 5.291 ( -4.288 -6.052 0.000) 7.417 5.291 ( -4.288 6.052 0.000) 7.417 5.298 ( -3.434 -6.788 0.000) 7.607 5.298 ( -3.434 6.788 0.000) 7.607 6.152 ( 2.469 -18.755 0.000) 18.917 6.152 ( 2.469 18.755 0.000) 18.917 6.865 ( 13.825 -4.404 0.000) 14.510 6.865 ( 13.825 4.404 0.000) 14.510 7.332 ( 7.196 -4.347 0.000) 8.407 7.332 ( 7.196 4.347 0.000) 8.407 7.867 ( 11.483 -6.028 0.000) 12.969 7.867 ( 11.483 6.028 0.000) 12.969 8.207 ( -1.203 -9.332 0.000) 9.409 8.207 ( -1.203 9.332 0.000) 9.409 8.506 ( -9.181 -2.545 0.000) 9.527 8.506 ( -9.181 2.545 0.000) 9.527 9.022 ( -0.596 -2.465 0.000) 2.536 9.022 ( -0.596 2.465 0.000) 2.536 9.211 ( -18.767 -14.430 0.000) 23.673 9.211 ( -18.767 14.430 0.000) 23.673 9.606 ( 0.103 -9.415 0.000) 9.415 9.606 ( 0.103 9.415 0.000) 9.415 10.258 ( -9.989 -13.889 0.000) 17.108 10.258 ( -9.989 13.889 0.000) 17.108 12.574 ( 8.359 -6.550 0.000) 10.620 12.574 ( 8.359 6.550 0.000) 10.620 13.383 ( 3.370 -0.196 0.000) 3.376 13.383 ( 3.370 0.196 0.000) 3.376 13.521 ( -2.790 -0.429 0.000) 2.822 13.521 ( -2.790 0.429 0.000) 2.822 13.824 ( 10.629 -8.994 0.000) 13.924 13.824 ( 10.629 8.994 0.000) 13.924 14.989 ( -8.855 -13.993 0.000) 16.560 14.989 ( -8.855 13.993 0.000) 16.560 19.002 ( 11.744 -12.843 0.000) 17.403 19.002 ( 11.744 12.843 0.000) 17.403 20.592 ( -14.091 -5.400 0.000) 15.090 20.592 ( -14.091 5.400 0.000) 15.090 ======================= Grid point 26 (15/105) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.579 ( -0.000 0.000 0.000) 0.000 2.579 ( -0.000 0.000 0.000) 0.000 2.711 ( -0.000 -0.000 0.000) 0.000 2.711 ( -0.000 0.000 0.000) 0.000 3.455 ( 0.000 -0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 -0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 -0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.206 ( 0.000 -0.000 0.000) 0.000 8.206 ( 0.000 0.000 0.000) 0.000 8.371 ( -0.000 0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 12.664 ( 0.000 0.000 0.000) 0.000 12.664 ( 0.000 0.000 0.000) 0.000 13.446 ( -0.000 0.000 0.000) 0.000 13.446 ( 0.000 0.000 0.000) 0.000 13.465 ( -0.000 -0.000 0.000) 0.000 13.465 ( 0.000 0.000 0.000) 0.000 13.934 ( 0.000 -0.000 0.000) 0.000 13.934 ( 0.000 0.000 0.000) 0.000 14.903 ( 0.000 -0.000 0.000) 0.000 14.903 ( 0.000 0.000 0.000) 0.000 19.133 ( 0.000 0.000 0.000) 0.000 19.133 ( 0.000 0.000 0.000) 0.000 20.430 ( 0.000 0.000 0.000) 0.000 20.430 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/105) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.000 0.000 33.058) 33.058 0.664 ( 0.000 0.000 33.832) 33.832 1.002 ( 0.000 0.000 50.209) 50.209 2.227 ( 0.000 0.000 -6.467) 6.467 2.231 ( 0.000 0.000 5.396) 5.396 2.546 ( 0.000 0.000 2.116) 2.116 2.659 ( 0.000 0.000 3.434) 3.434 2.908 ( 0.000 0.000 6.009) 6.009 2.930 ( 0.000 0.000 0.978) 0.978 2.986 ( 0.000 0.000 1.676) 1.676 2.995 ( 0.000 0.000 3.117) 3.117 3.503 ( 0.000 0.000 -8.470) 8.470 4.328 ( 0.000 0.000 -0.152) 0.152 4.375 ( 0.000 0.000 1.966) 1.966 4.822 ( 0.000 0.000 2.106) 2.106 5.009 ( 0.000 0.000 12.352) 12.352 5.229 ( 0.000 0.000 -0.851) 0.851 5.441 ( 0.000 0.000 10.584) 10.584 5.456 ( 0.000 0.000 11.838) 11.838 5.687 ( 0.000 0.000 -4.081) 4.081 5.938 ( 0.000 0.000 8.606) 8.606 6.048 ( 0.000 0.000 2.569) 2.569 6.190 ( 0.000 0.000 4.730) 4.730 6.360 ( 0.000 0.000 25.051) 25.051 6.970 ( 0.000 0.000 -0.607) 0.607 7.145 ( 0.000 0.000 -6.203) 6.203 7.571 ( 0.000 0.000 3.547) 3.547 7.771 ( 0.000 0.000 -1.449) 1.449 7.779 ( 0.000 0.000 17.935) 17.935 7.824 ( 0.000 0.000 -23.375) 23.375 8.777 ( 0.000 0.000 -3.433) 3.433 9.033 ( 0.000 0.000 4.977) 4.977 9.070 ( 0.000 0.000 16.030) 16.030 9.076 ( 0.000 0.000 -10.132) 10.132 9.511 ( 0.000 0.000 7.935) 7.935 9.629 ( 0.000 0.000 11.356) 11.356 10.611 ( 0.000 0.000 0.027) 0.027 10.708 ( 0.000 0.000 -5.938) 5.938 10.908 ( 0.000 0.000 1.895) 1.895 11.184 ( 0.000 0.000 8.229) 8.229 11.570 ( 0.000 0.000 -9.528) 9.528 11.680 ( 0.000 0.000 -10.477) 10.477 12.056 ( 0.000 0.000 0.634) 0.634 12.837 ( 0.000 0.000 -5.241) 5.241 13.218 ( 0.000 0.000 -3.704) 3.704 13.223 ( 0.000 0.000 -2.835) 2.835 13.790 ( 0.000 0.000 14.661) 14.661 14.339 ( 0.000 0.000 8.081) 8.081 16.624 ( 0.000 0.000 1.301) 1.301 16.723 ( 0.000 0.000 -1.065) 1.065 17.521 ( 0.000 0.000 9.011) 9.011 18.822 ( 0.000 0.000 -3.647) 3.647 20.757 ( 0.000 0.000 1.280) 1.280 21.402 ( 0.000 0.000 -2.234) 2.234 ======================= Grid point 46 (17/105) ======================= q-point: ( 0.12 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 21.262 0.000 12.857) 24.847 0.954 ( 23.044 0.000 22.816) 32.429 1.643 ( 38.568 0.000 34.356) 51.651 2.281 ( 6.624 0.000 -2.034) 6.929 2.336 ( 9.768 0.000 -0.969) 9.816 2.550 ( 0.969 0.000 0.793) 1.252 2.703 ( 3.563 0.000 3.815) 5.220 2.892 ( -0.441 0.000 3.890) 3.915 2.963 ( -2.893 0.000 3.108) 4.246 2.964 ( 2.202 0.000 1.565) 2.702 3.120 ( 10.871 0.000 -0.315) 10.876 3.504 ( 0.086 0.000 -8.030) 8.030 4.407 ( 6.749 0.000 -0.944) 6.815 4.676 ( 7.477 0.000 -1.560) 7.638 4.828 ( 5.681 0.000 -1.255) 5.818 5.044 ( 3.583 0.000 9.734) 10.372 5.294 ( -15.501 0.000 4.450) 16.127 5.365 ( -1.767 0.000 6.322) 6.564 5.432 ( 12.482 0.000 -3.004) 12.839 5.517 ( -14.603 0.000 12.761) 19.393 5.686 ( -3.591 0.000 -0.717) 3.662 6.044 ( -8.259 0.000 3.282) 8.887 6.207 ( -0.147 0.000 25.959) 25.960 6.658 ( 23.268 0.000 -5.043) 23.809 7.141 ( 12.226 0.000 0.234) 12.228 7.256 ( 9.082 0.000 -3.137) 9.609 7.650 ( 5.749 0.000 7.598) 9.528 7.728 ( -7.820 0.000 -19.190) 20.722 7.792 ( 2.644 0.000 17.179) 17.381 7.938 ( 8.669 0.000 -12.851) 15.502 8.775 ( -0.685 0.000 -1.009) 1.219 8.999 ( -5.419 0.000 13.561) 14.603 9.029 ( -1.202 0.000 4.931) 5.075 9.052 ( -2.131 0.000 -9.924) 10.150 9.349 ( -8.814 0.000 24.863) 26.379 9.576 ( -4.718 0.000 10.656) 11.653 10.448 ( -13.750 0.000 2.711) 14.014 10.543 ( -12.682 0.000 -3.146) 13.066 10.938 ( -34.104 0.000 -7.881) 35.003 11.023 ( 0.647 0.000 -9.366) 9.389 11.400 ( 20.894 0.000 -1.492) 20.947 12.175 ( 20.553 0.000 -12.351) 23.978 12.366 ( 22.691 0.000 -9.383) 24.554 12.956 ( 9.700 0.000 -6.783) 11.836 13.242 ( 2.205 0.000 -3.309) 3.976 13.243 ( 1.936 0.000 -2.682) 3.307 13.795 ( 0.707 0.000 15.726) 15.742 14.422 ( 7.658 0.000 7.358) 10.620 15.070 ( -64.401 0.000 66.010) 92.222 16.367 ( -25.107 0.000 2.680) 25.250 17.866 ( 24.051 0.000 5.292) 24.627 19.544 ( 23.698 0.000 -21.451) 31.965 20.632 ( -11.753 0.000 1.383) 11.834 21.285 ( -10.445 0.000 -1.417) 10.540 ======================= Grid point 47 (18/105) ======================= q-point: ( 0.25 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 31.341 0.000 -4.567) 31.672 1.492 ( 26.328 0.000 12.839) 29.292 2.282 ( 18.221 0.000 11.068) 21.319 2.493 ( 12.046 0.000 -4.049) 12.708 2.598 ( 3.415 0.000 -0.591) 3.465 2.661 ( 20.279 0.000 9.868) 22.552 2.783 ( 3.350 0.000 3.215) 4.644 2.881 ( -1.336 0.000 5.244) 5.412 2.883 ( -3.194 0.000 3.763) 4.936 3.020 ( 3.449 0.000 -3.587) 4.976 3.388 ( 12.823 0.000 -6.234) 14.258 3.505 ( -0.004 0.000 -7.181) 7.181 4.561 ( 6.378 0.000 -3.134) 7.107 4.657 ( -2.176 0.000 9.742) 9.982 4.944 ( -2.087 0.000 -2.492) 3.251 4.963 ( -12.436 0.000 3.611) 12.949 5.120 ( 0.945 0.000 10.182) 10.226 5.247 ( -11.884 0.000 17.805) 21.407 5.265 ( -1.024 0.000 10.384) 10.434 5.610 ( -3.845 0.000 -1.281) 4.052 5.705 ( 9.187 0.000 -7.328) 11.752 6.150 ( 21.457 0.000 0.987) 21.480 6.221 ( 2.682 0.000 22.839) 22.996 7.087 ( 15.748 0.000 -12.102) 19.861 7.280 ( -6.165 0.000 0.043) 6.165 7.386 ( -1.161 0.000 -3.843) 4.014 7.647 ( 7.691 0.000 -14.350) 16.281 7.758 ( 7.736 0.000 19.901) 21.352 7.964 ( 11.498 0.000 9.775) 15.092 8.059 ( 3.655 0.000 -13.148) 13.647 8.704 ( -6.740 0.000 1.754) 6.965 8.910 ( -10.414 0.000 3.874) 11.112 8.928 ( -0.232 0.000 13.361) 13.363 9.017 ( -0.743 0.000 -6.410) 6.453 9.193 ( -6.577 0.000 25.817) 26.641 9.475 ( -3.521 0.000 10.431) 11.010 10.118 ( -16.379 0.000 5.694) 17.340 10.197 ( -35.925 0.000 -6.619) 36.530 10.331 ( -5.169 0.000 0.750) 5.223 10.971 ( -5.153 0.000 -7.836) 9.379 11.849 ( 20.140 0.000 -6.126) 21.051 12.476 ( 8.327 0.000 -12.191) 14.763 12.823 ( 19.045 0.000 -13.177) 23.159 13.160 ( 8.080 0.000 -10.298) 13.089 13.302 ( 3.599 0.000 -2.455) 4.357 13.304 ( 3.455 0.000 -2.626) 4.340 13.827 ( 2.419 0.000 18.288) 18.447 14.257 ( -20.931 0.000 44.419) 49.104 14.639 ( 12.137 0.000 5.544) 13.343 15.846 ( -23.044 0.000 4.552) 23.490 18.373 ( 23.349 0.000 3.279) 23.578 19.856 ( 10.618 0.000 -7.517) 13.010 20.283 ( -20.610 0.000 1.764) 20.685 21.002 ( -15.589 0.000 0.216) 15.591 ======================= Grid point 48 (19/105) ======================= q-point: ( 0.38 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 27.778 0.000 -5.616) 28.340 2.011 ( 22.299 0.000 7.355) 23.481 2.530 ( 7.956 0.000 0.204) 7.958 2.665 ( 1.665 0.000 -0.914) 1.900 2.679 ( -7.856 0.000 3.092) 8.443 2.732 ( 8.050 0.000 0.468) 8.063 2.748 ( -8.332 0.000 3.376) 8.990 2.873 ( 1.316 0.000 2.358) 2.700 3.111 ( 11.874 0.000 6.189) 13.390 3.115 ( 5.164 0.000 -6.246) 8.104 3.518 ( 1.706 0.000 -7.981) 8.162 3.581 ( 4.314 0.000 -13.943) 14.595 4.589 ( -3.789 0.000 -1.952) 4.262 4.657 ( -1.019 0.000 13.744) 13.781 4.752 ( -6.677 0.000 5.203) 8.465 4.858 ( 1.902 0.000 0.635) 2.006 5.042 ( -6.802 0.000 19.756) 20.894 5.121 ( -1.750 0.000 3.958) 4.328 5.319 ( 3.876 0.000 13.248) 13.804 5.522 ( -4.614 0.000 5.303) 7.029 6.005 ( 20.680 0.000 -2.685) 20.854 6.342 ( 9.036 0.000 12.986) 15.820 6.689 ( 21.072 0.000 1.635) 21.135 7.032 ( -8.075 0.000 -3.293) 8.720 7.059 ( -19.610 0.000 3.212) 19.871 7.426 ( 7.122 0.000 -14.379) 16.046 7.890 ( 6.429 0.000 -16.067) 17.305 7.903 ( 0.986 0.000 8.167) 8.226 8.164 ( 7.451 0.000 6.127) 9.647 8.192 ( 14.524 0.000 -5.783) 15.633 8.528 ( -9.033 0.000 3.980) 9.871 8.729 ( -2.328 0.000 13.015) 13.222 8.931 ( -2.212 0.000 22.962) 23.068 9.041 ( 3.019 0.000 -0.574) 3.073 9.087 ( -1.918 0.000 14.195) 14.324 9.361 ( -21.806 0.000 -0.728) 21.818 9.519 ( -13.568 0.000 7.556) 15.530 9.789 ( -14.363 0.000 7.909) 16.397 10.354 ( 6.609 0.000 -1.445) 6.765 10.806 ( -10.330 0.000 -6.858) 12.399 12.219 ( 14.733 0.000 -6.867) 16.255 12.550 ( -0.732 0.000 -10.249) 10.275 13.128 ( 9.686 0.000 -12.357) 15.701 13.264 ( 1.920 0.000 -11.311) 11.473 13.376 ( 3.093 0.000 -2.767) 4.150 13.385 ( 3.617 0.000 -2.988) 4.692 13.887 ( 2.793 0.000 19.809) 20.005 13.997 ( -6.116 0.000 29.616) 30.241 14.897 ( 11.890 0.000 4.155) 12.595 15.429 ( -16.470 0.000 4.635) 17.110 18.845 ( 21.936 0.000 2.822) 22.116 19.806 ( -23.786 0.000 2.358) 23.902 20.077 ( 11.197 0.000 -1.604) 11.311 20.662 ( -16.141 0.000 1.223) 16.188 ======================= Grid point 49 (20/105) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -5.083 0.000 1.459) 5.288 2.393 ( 5.083 0.000 1.459) 5.288 2.457 ( -9.151 0.000 1.671) 9.302 2.457 ( 9.151 0.000 1.671) 9.302 2.660 ( -3.384 0.000 -1.162) 3.578 2.660 ( 3.384 0.000 -1.162) 3.578 2.864 ( -3.129 0.000 1.876) 3.648 2.864 ( 3.129 0.000 1.876) 3.648 3.202 ( -1.710 0.000 -2.697) 3.193 3.202 ( 1.710 0.000 -2.697) 3.193 3.578 ( -3.114 0.000 -12.972) 13.341 3.578 ( 3.114 0.000 -12.972) 13.341 4.545 ( -2.020 0.000 5.307) 5.678 4.545 ( 2.020 0.000 5.307) 5.678 4.832 ( -5.948 0.000 8.918) 10.719 4.832 ( 5.948 0.000 8.918) 10.719 5.033 ( -5.099 0.000 7.059) 8.708 5.033 ( 5.099 0.000 7.059) 8.708 5.418 ( -5.157 0.000 11.903) 12.972 5.418 ( 5.157 0.000 11.903) 12.972 6.523 ( -22.483 0.000 1.925) 22.565 6.523 ( 22.483 0.000 1.925) 22.565 6.602 ( -8.888 0.000 5.607) 10.508 6.602 ( 8.888 0.000 5.607) 10.508 7.338 ( -18.121 0.000 -6.076) 19.113 7.338 ( 18.121 0.000 -6.076) 19.113 7.883 ( -2.272 0.000 -12.146) 12.357 7.883 ( 2.272 0.000 -12.146) 12.357 8.336 ( -8.557 0.000 5.839) 10.359 8.336 ( 8.557 0.000 5.839) 10.359 8.687 ( -25.516 0.000 0.378) 25.519 8.687 ( 25.516 0.000 0.378) 25.519 8.828 ( -2.356 0.000 17.648) 17.805 8.828 ( 2.356 0.000 17.648) 17.805 9.093 ( -0.279 0.000 7.599) 7.604 9.093 ( 0.279 0.000 7.599) 7.604 9.544 ( -7.862 0.000 10.291) 12.950 9.544 ( 7.862 0.000 10.291) 12.950 10.562 ( -11.921 0.000 -4.788) 12.846 10.562 ( 11.921 0.000 -4.788) 12.846 12.458 ( -7.897 0.000 -8.332) 11.480 12.458 ( 7.897 0.000 -8.332) 11.480 13.252 ( -2.948 0.000 -11.178) 11.560 13.252 ( 2.948 0.000 -11.178) 11.560 13.419 ( -0.570 0.000 -3.036) 3.089 13.419 ( 0.570 0.000 -3.036) 3.089 13.931 ( -1.598 0.000 22.307) 22.364 13.931 ( 1.598 0.000 22.307) 22.364 15.140 ( -11.807 0.000 4.077) 12.491 15.140 ( 11.807 0.000 4.077) 12.491 19.313 ( -22.843 0.000 2.738) 23.007 19.313 ( 22.843 0.000 2.738) 23.007 20.342 ( -14.060 0.000 0.795) 14.082 20.342 ( 14.060 0.000 0.795) 14.082 ======================= Grid point 54 (21/105) ======================= q-point: ( 0.00 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 20.342 9.548) 22.471 0.953 ( 0.000 22.388 19.646) 29.786 1.695 ( 0.000 38.678 36.467) 53.159 1.905 ( 0.000 -23.778 -5.888) 24.496 2.006 ( 0.000 -15.311 6.559) 16.657 2.680 ( 0.000 8.088 0.992) 8.148 2.792 ( 0.000 6.837 4.339) 8.098 2.869 ( 0.000 -8.518 5.641) 10.216 2.897 ( 0.000 -0.415 4.658) 4.677 2.919 ( 0.000 -3.664 0.461) 3.692 3.011 ( 0.000 2.336 1.966) 3.054 3.391 ( 0.000 -10.945 -4.687) 11.907 4.461 ( 0.000 8.058 1.700) 8.236 4.627 ( 0.000 13.719 -9.958) 16.952 4.822 ( 0.000 -0.295 2.126) 2.146 4.977 ( 0.000 -1.020 9.759) 9.812 5.052 ( 0.000 -14.902 -0.218) 14.903 5.252 ( 0.000 -11.906 10.059) 15.587 5.554 ( 0.000 8.240 10.618) 13.441 5.779 ( 0.000 5.386 -2.734) 6.040 5.857 ( 0.000 -6.622 2.748) 7.170 5.892 ( 0.000 -3.173 6.364) 7.111 6.270 ( 0.000 3.809 21.964) 22.292 6.633 ( 0.000 19.060 1.694) 19.136 6.822 ( 0.000 -13.830 2.259) 14.013 7.124 ( 0.000 -2.420 -7.616) 7.991 7.595 ( 0.000 -0.429 7.776) 7.788 7.678 ( 0.000 -3.036 18.276) 18.526 7.857 ( 0.000 1.650 -3.912) 4.246 7.859 ( 0.000 2.872 -19.589) 19.798 8.801 ( 0.000 2.108 -1.635) 2.668 8.930 ( 0.000 -4.352 7.263) 8.467 9.117 ( 0.000 2.289 13.579) 13.770 9.137 ( 0.000 3.142 -4.286) 5.314 9.620 ( 0.000 11.058 6.726) 12.943 9.711 ( 0.000 8.601 7.299) 11.280 10.205 ( 0.000 -20.401 4.700) 20.935 10.669 ( 0.000 -23.305 -7.389) 24.449 10.987 ( 0.000 15.846 -4.073) 16.361 11.531 ( 0.000 22.124 -10.453) 24.469 11.591 ( 0.000 -8.266 -9.836) 12.848 11.928 ( 0.000 22.632 -7.826) 23.947 12.010 ( 0.000 -4.389 -0.973) 4.496 12.712 ( 0.000 -11.360 -5.618) 12.673 13.219 ( 0.000 0.083 -3.564) 3.565 13.223 ( 0.000 -0.017 -2.887) 2.888 13.802 ( 0.000 1.361 15.864) 15.922 14.065 ( 0.000 -14.834 23.513) 27.801 16.644 ( 0.000 1.758 0.958) 2.002 16.719 ( 0.000 -0.713 -0.783) 1.059 17.528 ( 0.000 0.968 10.578) 10.622 17.920 ( 0.000 -31.030 33.054) 45.337 21.295 ( 0.000 15.396 -17.836) 23.562 21.416 ( 0.000 1.088 -3.272) 3.448 ======================= Grid point 55 (22/105) ======================= q-point: ( 0.12 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 23.015 19.477 -0.866) 30.163 1.207 ( 18.376 18.915 16.353) 31.030 1.929 ( 16.308 4.607 13.114) 21.428 2.012 ( 9.092 -15.043 3.142) 17.856 2.170 ( 18.311 0.745 12.518) 22.194 2.665 ( -0.207 6.400 -0.446) 6.419 2.821 ( 1.001 3.058 3.390) 4.674 2.844 ( -0.754 -0.618 2.541) 2.721 2.934 ( 0.914 -1.558 6.238) 6.495 3.026 ( 7.264 -3.954 2.402) 8.612 3.040 ( 5.721 0.813 -0.246) 5.783 3.421 ( 2.469 -8.940 -4.663) 10.381 4.369 ( 0.622 1.036 1.082) 1.623 4.697 ( -6.237 -6.368 1.179) 8.991 4.829 ( -1.268 -2.921 7.019) 7.707 4.911 ( 3.331 -0.959 8.744) 9.405 5.244 ( 1.508 -3.417 -1.079) 3.888 5.305 ( 9.933 -2.537 -4.177) 11.071 5.498 ( -3.752 7.601 6.549) 10.712 5.703 ( -1.891 4.973 6.670) 8.531 5.775 ( 1.878 6.851 -1.500) 7.260 6.048 ( -4.171 -0.791 13.299) 13.960 6.256 ( 0.100 8.898 15.932) 18.248 6.660 ( 13.798 -0.990 -3.020) 14.160 7.034 ( 13.048 -8.982 0.895) 15.866 7.183 ( 2.901 -6.148 -4.529) 8.168 7.580 ( -3.784 -5.075 7.502) 9.816 7.590 ( 0.274 -4.840 0.905) 4.931 7.882 ( 3.930 5.802 -8.459) 10.985 8.028 ( 8.461 2.989 -2.068) 9.209 8.792 ( -0.997 1.609 0.527) 1.965 8.910 ( -2.112 -4.464 8.173) 9.549 9.083 ( -2.342 4.163 11.960) 12.879 9.122 ( -1.337 4.184 -3.430) 5.573 9.522 ( -7.917 11.818 15.054) 20.712 9.658 ( -4.839 9.593 5.880) 12.248 10.109 ( -7.830 -19.822 6.182) 22.191 10.585 ( -11.166 -22.640 -6.686) 26.114 10.711 ( -19.828 11.145 -2.358) 22.867 11.098 ( -23.002 -1.678 -7.697) 24.314 11.717 ( 12.115 18.804 -5.932) 23.143 12.180 ( 15.845 -2.788 -5.698) 17.068 12.441 ( 25.234 8.880 -14.155) 30.265 12.890 ( 13.776 -6.455 -11.741) 19.217 13.243 ( 2.193 0.069 -3.169) 3.854 13.245 ( 2.089 0.065 -2.753) 3.457 13.814 ( 1.259 1.942 17.142) 17.297 14.109 ( 3.832 -14.977 24.967) 29.366 15.586 ( -51.414 29.613 27.330) 65.324 16.310 ( -27.814 -5.931 4.021) 28.722 17.911 ( 25.656 4.892 5.706) 26.734 18.741 ( 36.849 -41.648 2.832) 55.681 21.082 ( -16.876 17.668 -9.552) 26.234 21.292 ( -11.043 0.354 -2.271) 11.280 ======================= Grid point 56 (23/105) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 28.456 13.130 -6.319) 31.970 1.631 ( 21.318 12.355 11.060) 27.008 2.235 ( 12.456 -11.400 1.730) 16.974 2.246 ( 13.543 -15.613 -3.362) 20.940 2.581 ( 8.623 4.244 6.464) 11.583 2.747 ( 3.544 1.298 2.652) 4.613 2.813 ( 8.680 2.907 5.231) 10.543 2.894 ( 4.045 4.792 5.852) 8.578 2.918 ( -2.084 0.935 6.369) 6.767 3.102 ( 4.151 6.245 -3.140) 8.130 3.282 ( 10.930 -7.550 -4.382) 13.988 3.491 ( 4.498 -4.521 -3.870) 7.460 4.440 ( 2.955 -5.648 0.883) 6.436 4.614 ( -0.176 -11.061 0.280) 11.066 4.716 ( -5.439 -0.444 13.450) 14.515 4.972 ( -1.736 -8.679 14.776) 17.224 5.120 ( -6.821 8.503 -5.425) 12.176 5.396 ( -5.656 1.022 0.730) 5.793 5.480 ( 0.481 5.264 6.235) 8.174 5.650 ( 1.166 17.908 7.050) 19.281 5.814 ( -6.661 3.800 11.397) 13.736 6.120 ( 22.183 0.253 2.014) 22.276 6.361 ( 9.407 10.904 9.610) 17.313 6.998 ( 1.733 -15.591 -1.585) 15.767 7.096 ( 1.924 -3.489 -5.345) 6.667 7.313 ( 10.945 -10.355 -0.558) 15.077 7.580 ( 6.848 -2.171 -5.335) 8.948 7.722 ( 7.242 -7.268 -3.515) 10.845 7.974 ( 5.495 7.513 2.445) 9.624 8.156 ( 3.817 2.663 -1.259) 4.821 8.728 ( -5.921 2.391 3.665) 7.363 8.856 ( -2.810 -2.599 11.832) 12.436 9.029 ( -2.430 4.904 7.136) 8.993 9.098 ( -1.370 6.010 0.347) 6.174 9.328 ( -10.405 11.605 18.880) 24.483 9.523 ( -6.084 6.172 6.053) 10.571 9.955 ( -6.252 -15.100 9.647) 18.977 10.097 ( -31.017 -9.643 -5.399) 32.927 10.332 ( -14.225 4.308 -0.971) 14.895 10.795 ( -8.974 -13.912 -6.043) 17.624 12.031 ( 16.041 13.285 -5.226) 21.473 12.458 ( 9.723 -3.747 -7.209) 12.670 12.899 ( 17.624 7.308 -16.947) 25.519 13.149 ( 9.099 -1.745 -15.725) 18.251 13.305 ( 3.557 0.299 -3.077) 4.713 13.310 ( 3.857 0.359 -2.806) 4.784 13.860 ( 3.045 3.540 19.949) 20.488 14.177 ( 0.716 -7.468 28.415) 29.389 14.920 ( -13.292 23.117 14.750) 30.473 15.751 ( -23.893 -9.430 6.024) 26.384 18.429 ( 22.858 6.080 3.313) 23.884 19.252 ( 14.690 -33.483 0.190) 36.564 20.693 ( -18.641 17.980 -3.036) 26.077 20.996 ( -16.079 -0.916 -0.359) 16.109 ======================= Grid point 57 (24/105) ======================= q-point: ( 0.38 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 24.420 7.186 -4.435) 25.839 2.074 ( 20.459 6.608 5.489) 22.189 2.455 ( 8.881 -8.336 0.830) 12.209 2.541 ( 11.918 -11.393 -2.551) 16.683 2.628 ( -3.482 -1.268 1.015) 3.843 2.673 ( -2.900 -1.460 -0.903) 3.370 2.807 ( -7.726 2.908 4.194) 9.259 2.899 ( -1.325 0.228 3.795) 4.026 3.142 ( 9.221 4.614 0.666) 10.333 3.216 ( 6.027 7.155 -1.393) 9.459 3.453 ( 6.216 -4.832 -10.546) 13.161 3.588 ( 2.707 -2.462 -7.922) 8.726 4.441 ( -1.614 -5.920 1.097) 6.234 4.591 ( -5.037 -10.480 0.470) 11.637 4.677 ( 0.890 1.294 12.428) 12.527 4.804 ( -7.514 -3.827 10.688) 13.614 5.136 ( 5.375 8.331 6.459) 11.833 5.303 ( -2.612 2.186 2.518) 4.236 5.407 ( -2.590 8.164 19.026) 20.865 5.582 ( -7.932 6.803 10.096) 14.530 5.928 ( 14.536 -0.707 3.641) 15.002 6.546 ( 13.637 5.334 4.776) 15.402 6.644 ( -3.597 -10.161 1.533) 10.887 6.772 ( 12.658 6.338 1.643) 14.251 7.291 ( -0.509 3.969 -2.603) 4.774 7.418 ( 1.791 -2.718 -10.345) 10.845 7.786 ( 9.300 -5.130 -8.778) 13.779 7.826 ( 2.728 -6.597 -5.877) 9.247 8.118 ( 6.742 2.094 -0.246) 7.064 8.257 ( 9.432 -0.646 7.190) 11.877 8.547 ( -10.759 2.620 4.576) 11.982 8.777 ( -3.818 -0.160 12.898) 13.453 8.954 ( -9.131 4.560 12.106) 15.834 9.042 ( 1.786 1.691 3.681) 4.427 9.194 ( -2.537 6.039 15.570) 16.892 9.387 ( -23.453 1.945 -4.610) 23.981 9.501 ( -5.620 0.321 9.822) 11.321 9.797 ( -9.806 -0.635 8.414) 12.936 10.214 ( 3.082 -8.368 0.144) 8.918 10.601 ( -10.204 -16.585 -4.561) 19.999 12.339 ( 12.396 9.005 -6.296) 16.565 12.577 ( 1.637 0.458 -8.308) 8.480 13.169 ( 8.260 3.580 -14.204) 16.816 13.269 ( 2.764 -0.085 -13.363) 13.646 13.376 ( 2.844 0.185 -3.600) 4.592 13.390 ( 3.177 0.230 -3.664) 4.855 13.936 ( 4.212 6.012 21.182) 22.418 14.126 ( -4.048 6.996 24.733) 26.020 14.890 ( 6.011 1.833 5.997) 8.687 15.332 ( -15.882 -9.033 5.829) 19.178 18.870 ( 19.300 3.190 2.952) 19.783 19.410 ( -0.239 -22.070 2.251) 22.186 20.380 ( -8.568 14.356 -0.751) 16.735 20.656 ( -15.402 -1.010 0.829) 15.457 ======================= Grid point 58 (25/105) ======================= q-point: (-0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -12.281 0.978 2.210) 12.516 2.405 ( 12.281 0.978 2.210) 12.516 2.492 ( -14.323 2.973 -0.016) 14.629 2.492 ( 14.323 2.973 -0.016) 14.629 2.619 ( -5.075 -2.675 -0.873) 5.803 2.619 ( 5.075 -2.675 -0.873) 5.803 2.807 ( -7.403 -4.871 1.355) 8.965 2.807 ( 7.403 -4.871 1.355) 8.965 3.261 ( -2.375 5.391 -3.368) 6.786 3.261 ( 2.375 5.391 -3.368) 6.786 3.565 ( -4.138 -2.562 -12.012) 12.961 3.565 ( 4.138 -2.562 -12.012) 12.961 4.456 ( -4.453 -5.558 2.016) 7.401 4.456 ( 4.453 -5.558 2.016) 7.401 4.717 ( -2.989 -3.952 12.349) 13.306 4.717 ( 2.989 -3.952 12.349) 13.306 5.249 ( -3.836 10.851 8.295) 14.187 5.249 ( 3.836 10.851 8.295) 14.187 5.432 ( -5.069 1.073 12.642) 13.663 5.432 ( 5.069 1.073 12.642) 13.663 6.277 ( -17.775 -9.738 3.323) 20.538 6.277 ( 17.775 -9.738 3.323) 20.538 6.917 ( -14.741 15.758 3.703) 21.894 6.917 ( 14.741 15.758 3.703) 21.894 7.327 ( -12.747 -1.078 -5.579) 13.956 7.327 ( 12.747 -1.078 -5.579) 13.956 7.854 ( -1.371 -3.243 -13.620) 14.067 7.854 ( 1.371 -3.243 -13.620) 14.067 8.308 ( -10.672 0.112 4.887) 11.738 8.308 ( 10.672 0.112 4.887) 11.738 8.580 ( -17.348 -8.289 10.219) 21.774 8.580 ( 17.348 -8.289 10.219) 21.774 8.923 ( -10.755 6.223 5.320) 13.517 8.923 ( 10.755 6.223 5.320) 13.517 9.129 ( -4.566 1.873 10.655) 11.742 9.129 ( 4.566 1.873 10.655) 11.742 9.593 ( -8.459 5.270 9.070) 13.475 9.593 ( 8.459 5.270 9.070) 13.475 10.376 ( -10.420 -14.598 -2.131) 18.061 10.376 ( 10.420 -14.598 -2.131) 18.061 12.532 ( -5.769 4.961 -7.775) 10.878 12.532 ( 5.769 4.961 -7.775) 10.878 13.273 ( -2.229 1.557 -12.239) 12.537 13.273 ( 2.229 1.557 -12.239) 12.537 13.417 ( -0.711 -0.281 -3.421) 3.505 13.417 ( 0.711 -0.281 -3.421) 3.505 14.034 ( -4.753 8.400 20.760) 22.894 14.034 ( 4.753 8.400 20.760) 22.894 15.066 ( -10.168 -6.087 5.196) 12.940 15.066 ( 10.168 -6.087 5.196) 12.940 19.236 ( -14.637 -5.447 3.062) 15.915 19.236 ( 14.637 -5.447 3.062) 15.915 20.390 ( -8.430 3.373 0.583) 9.098 20.390 ( 8.430 3.373 0.583) 9.098 ======================= Grid point 63 (26/105) ======================= q-point: ( 0.00 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 -20.922 -7.185) 22.121 1.188 ( 0.000 20.922 -7.185) 22.121 1.584 ( 0.000 -13.657 11.737) 18.008 1.584 ( 0.000 13.657 11.737) 18.008 2.492 ( 0.000 -28.526 20.544) 35.154 2.492 ( 0.000 28.526 20.544) 35.154 2.821 ( 0.000 -4.807 0.463) 4.829 2.821 ( 0.000 4.807 0.463) 4.829 2.890 ( 0.000 -1.027 5.405) 5.501 2.890 ( 0.000 1.027 5.405) 5.501 3.126 ( 0.000 -9.869 -2.428) 10.163 3.126 ( 0.000 9.869 -2.428) 10.163 4.711 ( 0.000 -15.038 1.015) 15.072 4.711 ( 0.000 15.038 1.015) 15.072 4.791 ( 0.000 -3.305 -1.393) 3.586 4.791 ( 0.000 3.305 -1.393) 3.586 5.039 ( 0.000 -7.112 6.711) 9.779 5.039 ( 0.000 7.112 6.711) 9.779 5.738 ( 0.000 -7.209 6.128) 9.461 5.738 ( 0.000 7.209 6.128) 9.461 5.840 ( 0.000 -1.442 3.728) 3.997 5.840 ( 0.000 1.442 3.728) 3.997 6.476 ( 0.000 -15.596 10.924) 19.041 6.476 ( 0.000 15.596 10.924) 19.041 6.987 ( 0.000 -11.941 -7.274) 13.982 6.987 ( 0.000 11.941 -7.274) 13.982 7.602 ( 0.000 -2.608 17.883) 18.072 7.602 ( 0.000 2.608 17.883) 18.072 7.889 ( 0.000 -0.640 -12.623) 12.639 7.889 ( 0.000 0.640 -12.623) 12.639 8.858 ( 0.000 -2.996 2.598) 3.966 8.858 ( 0.000 2.996 2.598) 3.966 9.156 ( 0.000 -0.930 6.306) 6.374 9.156 ( 0.000 0.930 6.306) 6.374 9.858 ( 0.000 -12.453 7.874) 14.734 9.858 ( 0.000 12.453 7.874) 14.734 10.109 ( 0.000 -25.828 -3.260) 26.033 10.109 ( 0.000 25.828 -3.260) 26.033 11.341 ( 0.000 -14.936 -8.389) 17.131 11.341 ( 0.000 14.936 -8.389) 17.131 11.858 ( 0.000 -10.360 -5.392) 11.679 11.858 ( 0.000 10.360 -5.392) 11.679 12.381 ( 0.000 -19.100 -6.867) 20.297 12.381 ( 0.000 19.100 -6.867) 20.297 13.221 ( 0.000 -0.114 -3.198) 3.200 13.221 ( 0.000 0.114 -3.198) 3.200 13.864 ( 0.000 -5.116 20.005) 20.649 13.864 ( 0.000 5.116 20.005) 20.649 16.688 ( 0.000 -2.028 0.195) 2.037 16.688 ( 0.000 2.028 0.195) 2.037 17.590 ( 0.000 -6.186 17.211) 18.289 17.590 ( 0.000 6.186 17.211) 18.289 21.427 ( 0.000 -0.934 -7.409) 7.467 21.427 ( 0.000 0.934 -7.409) 7.467 ======================= Grid point 65 (27/105) ======================= q-point: ( 0.12 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 17.188 -22.832 -7.835) 29.633 1.393 ( 17.188 22.832 -7.835) 29.633 1.696 ( 9.781 -15.859 9.717) 21.015 1.696 ( 9.781 15.859 9.717) 21.015 2.634 ( 9.581 -20.099 14.478) 26.559 2.634 ( 9.581 20.099 14.478) 26.559 2.798 ( 1.917 -6.188 2.679) 7.010 2.798 ( 1.917 6.188 2.679) 7.010 2.923 ( 2.059 -2.598 6.281) 7.102 2.923 ( 2.059 2.598 6.281) 7.102 3.180 ( 4.464 -10.056 -3.079) 11.425 3.180 ( 4.464 10.056 -3.079) 11.425 4.483 ( -7.865 -8.985 0.909) 11.975 4.483 ( -7.865 8.985 0.909) 11.975 4.864 ( -1.275 -3.332 12.328) 12.833 4.864 ( -1.275 3.332 12.328) 12.833 5.237 ( 10.879 -2.301 -6.918) 13.096 5.237 ( 10.879 2.301 -6.918) 13.096 5.675 ( -2.847 -6.555 6.628) 9.747 5.675 ( -2.847 6.555 6.628) 9.747 5.937 ( 6.353 -7.689 6.073) 11.677 5.937 ( 6.353 7.689 6.073) 11.677 6.535 ( 5.365 -12.739 7.700) 15.823 6.535 ( 5.365 12.739 7.700) 15.823 7.001 ( 0.904 -8.662 -3.219) 9.285 7.001 ( 0.904 8.662 -3.219) 9.285 7.528 ( -1.844 -0.820 4.462) 4.897 7.528 ( -1.844 0.820 4.462) 4.897 8.008 ( 7.353 -4.501 -5.238) 10.088 8.008 ( 7.353 4.501 -5.238) 10.088 8.838 ( -1.648 -2.633 3.788) 4.899 8.838 ( -1.648 2.633 3.788) 4.899 9.155 ( -0.243 -1.453 7.845) 7.982 9.155 ( -0.243 1.453 7.845) 7.982 9.759 ( -7.752 -12.713 10.711) 18.342 9.759 ( -7.752 12.713 10.711) 18.342 10.055 ( -6.137 -24.646 -3.014) 25.577 10.055 ( -6.137 24.646 -3.014) 25.577 10.960 ( -25.141 -10.264 -5.846) 27.778 10.960 ( -25.141 10.264 -5.846) 27.778 12.032 ( 11.827 -10.804 -3.025) 16.303 12.032 ( 11.827 10.804 -3.025) 16.303 12.687 ( 21.318 -12.002 -15.682) 29.059 12.687 ( 21.318 12.002 -15.682) 29.059 13.244 ( 2.211 -0.076 -2.949) 3.686 13.244 ( 2.211 0.076 -2.949) 3.686 13.894 ( 2.978 -6.154 21.384) 22.450 13.894 ( 2.978 6.154 21.384) 22.450 16.081 ( -36.980 -16.526 9.632) 41.634 16.081 ( -36.980 16.526 9.632) 41.634 18.128 ( 31.563 -17.424 6.635) 36.658 18.128 ( 31.563 17.424 6.635) 36.658 21.274 ( -13.289 -3.105 -5.214) 14.609 21.274 ( -13.289 3.105 -5.214) 14.609 ======================= Grid point 67 (28/105) ======================= q-point: ( 0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 21.263 -20.017 -7.424) 30.132 1.814 ( 21.263 20.017 -7.424) 30.132 1.953 ( 14.128 -15.814 6.734) 22.249 1.953 ( 14.128 15.814 6.734) 22.249 2.684 ( -1.184 -4.039 -0.297) 4.219 2.684 ( -1.184 4.039 -0.297) 4.219 2.918 ( 0.698 -1.292 6.250) 6.420 2.918 ( 0.698 1.292 6.250) 6.420 3.065 ( 12.874 -11.041 6.595) 18.197 3.065 ( 12.874 11.041 6.595) 18.197 3.299 ( 7.101 -10.551 -2.959) 13.058 3.299 ( 7.101 10.551 -2.959) 13.058 4.429 ( 1.113 -4.606 1.407) 4.943 4.429 ( 1.113 4.606 1.407) 4.943 4.803 ( -3.740 -6.482 12.676) 14.720 4.803 ( -3.740 6.482 12.676) 14.720 5.277 ( -4.011 -6.554 -5.233) 9.296 5.277 ( -4.011 6.554 -5.233) 9.296 5.687 ( -0.308 -8.650 14.359) 16.766 5.687 ( -0.308 8.650 14.359) 16.766 6.061 ( 6.522 -10.399 5.336) 13.385 6.061 ( 6.522 10.399 5.336) 13.385 6.651 ( 5.146 -15.490 1.310) 16.375 6.651 ( 5.146 15.490 1.310) 16.375 7.090 ( 9.300 -5.974 -0.813) 11.083 7.090 ( 9.300 5.974 -0.813) 11.083 7.600 ( 7.319 -3.922 -6.078) 10.290 7.600 ( 7.319 3.922 -6.078) 10.290 8.125 ( 3.474 -5.167 -1.849) 6.495 8.125 ( 3.474 5.167 -1.849) 6.495 8.792 ( -3.068 -3.257 8.374) 9.495 8.792 ( -3.068 3.257 8.374) 9.495 9.130 ( -2.529 -3.101 8.615) 9.499 9.130 ( -2.529 3.101 8.615) 9.499 9.611 ( -5.705 -14.865 13.239) 20.707 9.611 ( -5.705 14.865 13.239) 20.707 9.800 ( -17.317 -16.648 -2.538) 24.155 9.800 ( -17.317 16.648 -2.538) 24.155 10.506 ( -16.306 -11.510 -3.090) 20.197 10.506 ( -16.306 11.510 -3.090) 20.197 12.298 ( 12.478 -10.713 -3.688) 16.855 12.298 ( 12.478 10.713 -3.688) 16.855 13.064 ( 12.954 -6.465 -19.881) 24.594 13.064 ( 12.954 6.465 -19.881) 24.594 13.312 ( 3.952 -0.213 -3.399) 5.217 13.312 ( 3.952 0.213 -3.399) 5.217 13.991 ( 5.942 -8.517 22.577) 24.851 13.991 ( 5.942 8.517 22.577) 24.851 15.426 ( -24.049 -21.084 10.646) 33.708 15.426 ( -24.049 21.084 10.646) 33.708 18.683 ( 21.054 -19.004 2.913) 28.512 18.683 ( 21.054 19.004 2.913) 28.512 20.934 ( -17.604 -5.891 -1.907) 18.661 20.934 ( -17.604 5.891 -1.907) 18.661 ======================= Grid point 69 (29/105) ======================= q-point: ( 0.38 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 15.060 -9.957 -0.758) 18.070 2.214 ( 15.060 9.957 -0.758) 18.070 2.290 ( 17.833 -10.131 0.134) 20.510 2.290 ( 17.833 10.131 0.134) 20.510 2.637 ( -3.521 -1.447 -1.351) 4.040 2.637 ( -3.521 1.447 -1.351) 4.040 2.869 ( -5.477 -2.624 4.446) 7.526 2.869 ( -5.477 2.624 4.446) 7.526 3.276 ( 7.546 -6.047 -3.527) 10.293 3.276 ( 7.546 6.047 -3.527) 10.293 3.446 ( 4.800 -8.333 -4.220) 10.501 3.446 ( 4.800 8.333 -4.220) 10.501 4.434 ( -1.746 -4.341 -0.394) 4.695 4.434 ( -1.746 4.341 -0.394) 4.695 4.723 ( -3.718 -3.237 11.615) 12.618 4.723 ( -3.718 3.237 11.615) 12.618 5.259 ( 4.056 -3.807 3.536) 6.591 5.259 ( 4.056 3.807 3.536) 6.591 5.582 ( -7.666 -6.533 19.251) 21.726 5.582 ( -7.666 6.533 19.251) 21.726 6.166 ( 1.773 -19.577 1.987) 19.757 6.166 ( 1.773 19.577 1.987) 19.757 6.852 ( 15.193 -4.848 0.571) 15.958 6.852 ( 15.193 4.848 0.571) 15.958 7.300 ( 6.849 -3.414 -2.650) 8.098 7.300 ( 6.849 3.414 -2.650) 8.098 7.750 ( 4.935 -1.733 -12.535) 13.583 7.750 ( 4.935 1.733 -12.535) 13.583 8.193 ( 5.230 -4.325 3.967) 7.861 8.193 ( 5.230 4.325 3.967) 7.861 8.665 ( -10.128 -7.467 11.811) 17.258 8.665 ( -10.128 7.467 11.811) 17.258 9.062 ( -3.210 -1.661 4.828) 6.031 9.062 ( -3.210 1.661 4.828) 6.031 9.316 ( -17.330 -6.604 6.576) 19.677 9.316 ( -17.330 6.604 6.576) 19.677 9.661 ( 2.445 -11.003 7.635) 13.614 9.661 ( 2.445 11.003 7.635) 13.614 10.252 ( -8.884 -12.528 -0.298) 15.362 10.252 ( -8.884 12.528 -0.298) 15.362 12.514 ( 7.403 -6.280 -5.890) 11.355 12.514 ( 7.403 6.280 -5.890) 11.355 13.242 ( 5.014 -2.555 -14.822) 15.855 13.242 ( 5.014 2.555 -14.822) 15.855 13.386 ( 2.526 -0.570 -4.648) 5.321 13.386 ( 2.526 0.570 -4.648) 5.321 14.111 ( 4.639 -7.784 20.029) 21.983 14.111 ( 4.639 7.784 20.029) 21.983 15.072 ( -10.145 -13.609 8.090) 18.804 15.072 ( -10.145 13.609 8.090) 18.804 19.029 ( 12.019 -12.691 2.916) 17.720 19.029 ( 12.019 12.691 2.916) 17.720 20.591 ( -13.569 -5.849 -0.049) 14.776 20.591 ( -13.569 5.849 -0.049) 14.776 ======================= Grid point 71 (30/105) ======================= q-point: (-0.50 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.000 0.000 2.396) 2.396 2.425 ( 0.000 0.000 2.396) 2.396 2.515 ( -0.000 0.000 -2.373) 2.373 2.515 ( -0.000 0.000 -2.373) 2.373 2.622 ( 0.000 -0.000 1.235) 1.235 2.622 ( 0.000 0.000 1.235) 1.235 2.714 ( -0.000 -0.000 0.265) 0.265 2.714 ( -0.000 0.000 0.265) 0.265 3.377 ( 0.000 -0.000 -5.913) 5.913 3.377 ( 0.000 0.000 -5.913) 5.913 3.478 ( 0.000 -0.000 -8.006) 8.006 3.478 ( 0.000 0.000 -8.006) 8.006 4.401 ( 0.000 0.000 -0.044) 0.044 4.401 ( 0.000 0.000 -0.044) 0.044 4.674 ( 0.000 0.000 11.778) 11.778 4.674 ( 0.000 0.000 11.778) 11.778 5.379 ( -0.000 0.000 10.856) 10.856 5.379 ( 0.000 0.000 10.856) 10.856 5.440 ( -0.000 0.000 14.704) 14.704 5.440 ( 0.000 0.000 14.704) 14.704 6.171 ( 0.000 0.000 1.793) 1.793 6.171 ( 0.000 0.000 1.793) 1.793 7.131 ( 0.000 0.000 4.896) 4.896 7.131 ( 0.000 0.000 4.896) 4.896 7.300 ( 0.000 0.000 -5.349) 5.349 7.300 ( 0.000 0.000 -5.349) 5.349 7.790 ( 0.000 0.000 -16.412) 16.412 7.790 ( 0.000 0.000 -16.412) 16.412 8.396 ( 0.000 -0.000 13.778) 13.778 8.396 ( 0.000 0.000 13.778) 13.778 8.399 ( -0.000 -0.000 2.149) 2.149 8.399 ( -0.000 0.000 2.149) 2.149 9.005 ( 0.000 0.000 4.199) 4.199 9.005 ( 0.000 0.000 4.199) 4.199 9.141 ( -0.000 -0.000 10.681) 10.681 9.141 ( 0.000 0.000 10.681) 10.681 9.708 ( 0.000 0.000 7.093) 7.093 9.708 ( 0.000 0.000 7.093) 7.093 10.146 ( 0.000 0.000 1.308) 1.308 10.146 ( 0.000 0.000 1.308) 1.308 12.593 ( 0.000 0.000 -7.019) 7.019 12.593 ( 0.000 0.000 -7.019) 7.019 13.295 ( 0.000 0.000 -12.772) 12.772 13.295 ( 0.000 0.000 -12.772) 12.772 13.411 ( 0.000 -0.000 -3.807) 3.807 13.411 ( 0.000 0.000 -3.807) 3.807 14.162 ( 0.000 -0.000 18.286) 18.286 14.162 ( 0.000 0.000 18.286) 18.286 14.971 ( 0.000 -0.000 6.730) 6.730 14.971 ( 0.000 0.000 6.730) 6.730 19.165 ( 0.000 0.000 3.341) 3.341 19.165 ( 0.000 0.000 3.341) 3.341 20.433 ( 0.000 0.000 0.414) 0.414 20.433 ( 0.000 0.000 0.414) 0.414 ======================= Grid point 90 (31/105) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.000 0.000 28.968) 28.968 1.296 ( 0.000 0.000 31.195) 31.195 1.915 ( 0.000 0.000 43.684) 43.684 2.089 ( 0.000 0.000 -6.363) 6.363 2.379 ( 0.000 0.000 9.742) 9.742 2.612 ( 0.000 0.000 4.720) 4.720 2.749 ( 0.000 0.000 5.436) 5.436 2.965 ( 0.000 0.000 2.569) 2.569 3.049 ( 0.000 0.000 4.654) 4.654 3.064 ( 0.000 0.000 9.756) 9.756 3.078 ( 0.000 0.000 5.286) 5.286 3.323 ( 0.000 0.000 -8.845) 8.845 4.323 ( 0.000 0.000 -0.384) 0.384 4.422 ( 0.000 0.000 2.460) 2.460 4.806 ( 0.000 0.000 -2.454) 2.454 5.208 ( 0.000 0.000 -1.307) 1.307 5.288 ( 0.000 0.000 12.135) 12.135 5.615 ( 0.000 0.000 -4.260) 4.260 5.617 ( 0.000 0.000 2.964) 2.964 5.697 ( 0.000 0.000 14.674) 14.674 6.046 ( 0.000 0.000 0.548) 0.548 6.204 ( 0.000 0.000 14.952) 14.952 6.300 ( 0.000 0.000 4.597) 4.597 7.022 ( 0.000 0.000 6.801) 6.801 7.070 ( 0.000 0.000 43.847) 43.847 7.076 ( 0.000 0.000 3.905) 3.905 7.379 ( 0.000 0.000 -19.077) 19.077 7.647 ( 0.000 0.000 4.477) 4.477 7.768 ( 0.000 0.000 2.712) 2.712 8.246 ( 0.000 0.000 29.078) 29.078 8.720 ( 0.000 0.000 -2.105) 2.105 8.912 ( 0.000 0.000 -6.699) 6.699 9.171 ( 0.000 0.000 8.914) 8.914 9.347 ( 0.000 0.000 11.342) 11.342 9.684 ( 0.000 0.000 9.187) 9.187 9.822 ( 0.000 0.000 8.243) 8.243 10.560 ( 0.000 0.000 -8.772) 8.772 10.591 ( 0.000 0.000 -2.910) 2.910 10.915 ( 0.000 0.000 0.182) 0.182 11.314 ( 0.000 0.000 -16.301) 16.301 11.452 ( 0.000 0.000 -12.013) 12.013 11.493 ( 0.000 0.000 23.093) 23.093 12.077 ( 0.000 0.000 1.782) 1.782 12.705 ( 0.000 0.000 -8.055) 8.055 13.116 ( 0.000 0.000 -6.689) 6.689 13.140 ( 0.000 0.000 -5.530) 5.530 14.104 ( 0.000 0.000 16.072) 16.072 14.531 ( 0.000 0.000 10.760) 10.760 16.634 ( 0.000 0.000 -0.591) 0.591 16.693 ( 0.000 0.000 -1.960) 1.960 17.777 ( 0.000 0.000 16.847) 16.847 18.713 ( 0.000 0.000 -7.679) 7.679 20.794 ( 0.000 0.000 2.553) 2.553 21.341 ( 0.000 0.000 -3.972) 3.972 ======================= Grid point 91 (32/105) ======================= q-point: ( 0.12 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -0.739 0.000 28.792) 28.802 1.451 ( 13.713 0.000 26.865) 30.162 2.097 ( 11.605 0.000 -0.316) 11.610 2.354 ( 2.984 0.000 13.870) 14.187 2.438 ( 24.536 0.000 19.333) 31.237 2.588 ( -1.065 0.000 3.175) 3.349 2.792 ( 3.072 0.000 4.805) 5.704 2.939 ( -1.439 0.000 1.696) 2.224 3.048 ( -2.681 0.000 5.420) 6.047 3.073 ( -0.096 0.000 8.635) 8.635 3.148 ( 7.835 0.000 3.181) 8.456 3.335 ( 1.007 0.000 -8.074) 8.136 4.389 ( 5.536 0.000 -0.946) 5.616 4.632 ( 15.094 0.000 -0.165) 15.094 4.807 ( 0.927 0.000 -2.205) 2.391 5.267 ( 1.027 0.000 6.411) 6.493 5.387 ( -14.715 0.000 5.305) 15.642 5.403 ( 13.783 0.000 3.627) 14.252 5.554 ( -7.644 0.000 -5.086) 9.182 5.609 ( -5.701 0.000 14.045) 15.158 5.921 ( -7.343 0.000 15.251) 16.926 6.165 ( -8.877 0.000 8.247) 12.117 6.422 ( 12.521 0.000 -2.261) 12.723 6.957 ( -1.540 0.000 29.271) 29.312 7.179 ( 11.678 0.000 -0.663) 11.697 7.297 ( 10.990 0.000 15.888) 19.318 7.314 ( -5.056 0.000 -14.546) 15.399 7.785 ( 11.727 0.000 6.477) 13.397 7.854 ( 5.896 0.000 2.446) 6.383 8.252 ( 0.433 0.000 28.210) 28.213 8.767 ( 2.958 0.000 0.395) 2.985 8.900 ( -0.666 0.000 -5.393) 5.434 9.168 ( -1.211 0.000 9.008) 9.090 9.215 ( -8.345 0.000 7.871) 11.471 9.734 ( 1.814 0.000 16.462) 16.562 9.741 ( -6.648 0.000 6.036) 8.979 10.465 ( -8.215 0.000 -4.942) 9.588 10.507 ( -8.608 0.000 2.359) 8.926 10.757 ( -30.000 0.000 -9.307) 31.411 10.857 ( -3.924 0.000 -6.266) 7.393 11.577 ( 8.810 0.000 17.166) 19.295 11.884 ( 19.000 0.000 -16.789) 25.355 12.289 ( 16.757 0.000 -1.048) 16.789 12.797 ( 7.554 0.000 -9.331) 12.006 13.143 ( 2.430 0.000 -6.761) 7.184 13.163 ( 2.094 0.000 -5.463) 5.851 14.124 ( 1.914 0.000 16.487) 16.598 14.600 ( 6.329 0.000 10.103) 11.922 15.867 ( -50.449 0.000 23.412) 55.617 16.416 ( -21.209 0.000 1.899) 21.294 18.018 ( 19.578 0.000 10.248) 22.098 19.204 ( 29.003 0.000 -14.030) 32.218 20.672 ( -11.438 0.000 2.752) 11.764 21.246 ( -8.568 0.000 -2.573) 8.945 ======================= Grid point 92 (33/105) ======================= q-point: ( 0.25 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 19.335 0.000 11.367) 22.429 1.811 ( 19.120 0.000 18.973) 26.936 2.379 ( 13.559 0.000 -4.433) 14.266 2.422 ( 6.484 0.000 2.551) 6.967 2.597 ( 2.031 0.000 0.662) 2.136 2.850 ( 2.089 0.000 2.363) 3.154 2.912 ( 3.991 0.000 10.779) 11.495 2.937 ( 1.415 0.000 -1.646) 2.171 3.018 ( 10.366 0.000 11.679) 15.616 3.030 ( -4.379 0.000 7.610) 8.780 3.309 ( 5.934 0.000 -1.481) 6.116 3.351 ( 0.067 0.000 -7.589) 7.589 4.510 ( 4.890 0.000 -2.362) 5.430 4.751 ( -0.432 0.000 0.900) 0.998 4.945 ( 4.659 0.000 3.857) 6.049 5.097 ( -11.553 0.000 9.805) 15.152 5.334 ( 7.057 0.000 6.289) 9.453 5.390 ( -6.142 0.000 -4.793) 7.790 5.536 ( -0.806 0.000 13.940) 13.964 5.664 ( 7.646 0.000 6.903) 10.301 5.771 ( -6.460 0.000 17.819) 18.954 6.192 ( 17.394 0.000 3.776) 17.799 6.587 ( 2.800 0.000 0.260) 2.812 7.040 ( 8.993 0.000 17.987) 20.110 7.126 ( -9.981 0.000 -17.749) 20.363 7.448 ( 0.803 0.000 14.004) 14.027 7.501 ( 15.601 0.000 3.763) 16.048 7.945 ( 2.562 0.000 1.212) 2.834 8.026 ( 7.059 0.000 5.689) 9.066 8.271 ( 2.195 0.000 21.409) 21.521 8.754 ( -4.753 0.000 3.754) 6.056 8.916 ( 2.736 0.000 0.976) 2.905 9.087 ( -4.630 0.000 9.869) 10.901 9.145 ( 2.756 0.000 8.956) 9.370 9.634 ( -2.537 0.000 6.120) 6.625 9.702 ( -4.957 0.000 25.187) 25.670 10.030 ( -30.711 0.000 -9.102) 32.031 10.260 ( -13.402 0.000 8.320) 15.775 10.388 ( -5.455 0.000 5.173) 7.517 10.769 ( -5.152 0.000 -11.899) 12.966 11.831 ( 13.730 0.000 4.875) 14.570 12.183 ( 9.653 0.000 -17.122) 19.656 12.661 ( 16.775 0.000 -5.175) 17.556 12.958 ( 6.654 0.000 -10.712) 12.611 13.210 ( 3.604 0.000 -7.011) 7.882 13.222 ( 3.274 0.000 -5.702) 6.575 14.184 ( 3.636 0.000 17.290) 17.668 14.780 ( 10.256 0.000 8.366) 13.236 14.993 ( -30.646 0.000 30.410) 43.173 15.947 ( -21.741 0.000 5.183) 22.350 18.469 ( 22.051 0.000 6.554) 23.005 19.695 ( 18.554 0.000 -8.361) 20.351 20.335 ( -19.826 0.000 3.583) 20.147 21.006 ( -13.661 0.000 0.183) 13.662 ======================= Grid point 93 (34/105) ======================= q-point: ( 0.38 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 25.817 0.000 -0.465) 25.821 2.206 ( 17.579 0.000 12.208) 21.402 2.531 ( 5.779 0.000 -0.037) 5.779 2.647 ( 1.542 0.000 -0.956) 1.814 2.702 ( 12.729 0.000 -1.629) 12.832 2.789 ( -12.436 0.000 -1.260) 12.500 2.792 ( -7.921 0.000 6.195) 10.056 2.927 ( 0.713 0.000 3.007) 3.090 3.030 ( 5.555 0.000 0.190) 5.558 3.222 ( 2.866 0.000 4.060) 4.969 3.330 ( -1.929 0.000 -10.256) 10.436 3.354 ( -1.704 0.000 -8.010) 8.190 4.573 ( 1.726 0.000 -1.613) 2.363 4.737 ( -2.284 0.000 -2.581) 3.447 4.906 ( -3.655 0.000 10.292) 10.921 4.933 ( -4.114 0.000 8.159) 9.137 5.330 ( -0.067 0.000 5.032) 5.032 5.393 ( -1.943 0.000 18.548) 18.649 5.571 ( 3.280 0.000 11.026) 11.504 5.667 ( -3.294 0.000 13.931) 14.315 6.016 ( 26.907 0.000 6.026) 27.574 6.614 ( 1.535 0.000 4.421) 4.680 6.732 ( 27.972 0.000 2.120) 28.053 6.900 ( -10.046 0.000 -10.876) 14.806 7.201 ( -9.091 0.000 11.047) 14.307 7.291 ( -2.736 0.000 10.408) 10.761 7.738 ( 2.310 0.000 3.141) 3.899 7.953 ( -12.349 0.000 -1.958) 12.504 8.086 ( 16.390 0.000 -5.041) 17.147 8.363 ( 5.780 0.000 12.292) 13.583 8.629 ( -6.268 0.000 6.729) 9.196 9.018 ( 6.324 0.000 12.043) 13.602 9.118 ( 2.937 0.000 7.789) 8.324 9.257 ( 5.807 0.000 13.918) 15.081 9.299 ( -23.672 0.000 1.531) 23.722 9.535 ( -10.524 0.000 27.409) 29.360 9.727 ( 1.271 0.000 11.839) 11.907 9.988 ( -11.855 0.000 11.878) 16.782 10.344 ( 1.238 0.000 1.130) 1.676 10.624 ( -8.393 0.000 -11.332) 14.102 12.098 ( 10.813 0.000 -4.635) 11.764 12.300 ( 1.751 0.000 -14.754) 14.857 12.943 ( 9.519 0.000 -7.457) 12.092 13.057 ( 2.583 0.000 -10.314) 10.632 13.280 ( 2.771 0.000 -7.378) 7.882 13.288 ( 2.580 0.000 -6.921) 7.386 14.268 ( 4.198 0.000 18.486) 18.956 14.549 ( -13.274 0.000 26.004) 29.196 15.007 ( 10.992 0.000 6.729) 12.889 15.540 ( -16.610 0.000 6.191) 17.727 18.929 ( 21.803 0.000 5.791) 22.559 19.876 ( -23.004 0.000 4.835) 23.507 20.041 ( 15.361 0.000 -1.944) 15.483 20.694 ( -15.614 0.000 1.946) 15.735 ======================= Grid point 94 (35/105) ======================= q-point: (-0.50 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -19.215 0.000 -2.722) 19.407 2.371 ( 19.215 0.000 -2.722) 19.407 2.563 ( -9.517 0.000 8.187) 12.554 2.563 ( 9.517 0.000 8.187) 12.554 2.633 ( -2.896 0.000 -1.421) 3.226 2.633 ( 2.896 0.000 -1.421) 3.226 2.916 ( -4.654 0.000 3.322) 5.718 2.916 ( 4.654 0.000 3.322) 5.718 3.168 ( -6.334 0.000 -0.399) 6.347 3.168 ( 6.334 0.000 -0.399) 6.347 3.304 ( -0.842 0.000 -14.071) 14.096 3.304 ( 0.842 0.000 -14.071) 14.096 4.636 ( -4.926 0.000 1.009) 5.029 4.636 ( 4.926 0.000 1.009) 5.029 4.890 ( -0.861 0.000 5.336) 5.405 4.890 ( 0.861 0.000 5.336) 5.405 5.351 ( -1.615 0.000 16.240) 16.321 5.351 ( 1.615 0.000 16.240) 16.321 5.622 ( -1.669 0.000 10.056) 10.193 5.622 ( 1.669 0.000 10.056) 10.193 6.657 ( -30.201 0.000 12.588) 32.719 6.657 ( 30.201 0.000 12.588) 32.719 6.699 ( -5.631 0.000 -1.261) 5.771 6.699 ( 5.631 0.000 -1.261) 5.771 7.252 ( -14.861 0.000 2.347) 15.046 7.252 ( 14.861 0.000 2.347) 15.046 7.725 ( -2.882 0.000 -2.677) 3.933 7.725 ( 2.882 0.000 -2.677) 3.933 8.492 ( -5.208 0.000 8.692) 10.133 8.492 ( 5.208 0.000 8.692) 10.133 8.589 ( -27.217 0.000 -6.046) 27.881 8.589 ( 27.217 0.000 -6.046) 27.881 9.268 ( -10.313 0.000 23.198) 25.387 9.268 ( 10.313 0.000 23.198) 25.387 9.322 ( -5.059 0.000 16.405) 17.167 9.322 ( 5.059 0.000 16.405) 17.167 9.793 ( -5.762 0.000 15.015) 16.082 9.793 ( 5.762 0.000 15.015) 16.082 10.444 ( -7.711 0.000 -6.854) 10.317 10.444 ( 7.711 0.000 -6.854) 10.317 12.266 ( -4.928 0.000 -10.727) 11.805 12.266 ( 4.928 0.000 -10.727) 11.805 13.063 ( -2.275 0.000 -8.817) 9.105 13.063 ( 2.275 0.000 -8.817) 9.105 13.314 ( -0.264 0.000 -7.719) 7.723 13.314 ( 0.264 0.000 -7.719) 7.723 14.366 ( -5.649 0.000 21.310) 22.046 14.366 ( 5.649 0.000 21.310) 22.046 15.244 ( -12.031 0.000 6.203) 13.536 15.244 ( 12.031 0.000 6.203) 13.536 19.394 ( -22.583 0.000 5.618) 23.272 19.394 ( 22.583 0.000 5.618) 23.272 20.364 ( -15.581 0.000 1.440) 15.648 20.364 ( 15.581 0.000 1.440) 15.648 ======================= Grid point 99 (36/105) ======================= q-point: ( 0.00 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 -6.116 29.384) 30.014 1.367 ( 0.000 6.568 20.432) 21.461 1.851 ( 0.000 -15.166 2.423) 15.358 2.179 ( 0.000 -13.671 11.033) 17.568 2.394 ( 0.000 29.432 34.256) 45.163 2.729 ( 0.000 6.944 3.980) 8.004 2.884 ( 0.000 7.518 2.033) 7.788 2.925 ( 0.000 -2.389 3.039) 3.866 2.986 ( 0.000 -4.140 6.065) 7.343 3.004 ( 0.000 -2.047 5.953) 6.295 3.102 ( 0.000 0.003 7.310) 7.310 3.320 ( 0.000 -2.997 -1.960) 3.581 4.473 ( 0.000 10.844 -5.650) 12.228 4.500 ( 0.000 7.149 1.799) 7.372 4.798 ( 0.000 -1.674 -1.908) 2.538 5.047 ( 0.000 -13.261 -0.268) 13.264 5.239 ( 0.000 -2.638 11.502) 11.801 5.483 ( 0.000 -11.137 9.215) 14.455 5.699 ( 0.000 6.772 4.045) 7.888 5.746 ( 0.000 5.458 0.607) 5.492 5.943 ( 0.000 -5.355 5.896) 7.965 6.071 ( 0.000 -9.646 8.787) 13.049 6.485 ( 0.000 12.311 0.828) 12.339 6.947 ( 0.000 -7.748 7.606) 10.858 7.025 ( 0.000 -2.765 31.116) 31.238 7.054 ( 0.000 -1.925 6.211) 6.503 7.501 ( 0.000 9.437 -6.604) 11.519 7.755 ( 0.000 8.444 6.448) 10.625 7.772 ( 0.000 -0.056 2.198) 2.199 8.149 ( 0.000 -8.437 24.984) 26.370 8.787 ( 0.000 5.831 0.530) 5.855 9.067 ( 0.000 11.746 -2.469) 12.002 9.090 ( 0.000 -6.288 8.807) 10.821 9.360 ( 0.000 -0.386 10.551) 10.559 9.716 ( 0.000 5.923 3.366) 6.813 9.899 ( 0.000 5.656 10.625) 12.037 10.289 ( 0.000 -15.444 2.999) 15.732 10.472 ( 0.000 -18.335 -11.458) 21.621 10.930 ( 0.000 8.208 -2.344) 8.536 11.376 ( 0.000 -6.970 -11.142) 13.143 11.490 ( 0.000 15.226 -1.336) 15.285 11.823 ( 0.000 21.214 2.444) 21.354 12.005 ( 0.000 -6.694 0.395) 6.706 12.584 ( 0.000 -11.044 -6.891) 13.018 13.121 ( 0.000 0.391 -6.465) 6.476 13.139 ( 0.000 -0.199 -5.616) 5.620 14.134 ( 0.000 2.932 16.586) 16.843 14.417 ( 0.000 -8.870 14.617) 17.098 16.646 ( 0.000 1.032 -1.019) 1.450 16.690 ( 0.000 -0.417 -2.059) 2.101 17.807 ( 0.000 3.179 17.134) 17.427 18.326 ( 0.000 -24.298 10.283) 26.384 21.052 ( 0.000 15.205 -7.497) 16.953 21.333 ( 0.000 -1.042 -5.024) 5.131 ======================= Grid point 100 (37/105) ======================= q-point: ( 0.12 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 8.584 2.683 21.933) 23.705 1.579 ( 15.081 7.731 19.558) 25.879 1.888 ( 6.054 -15.957 -0.604) 17.077 2.215 ( 3.448 -11.371 9.497) 15.211 2.621 ( 11.485 13.681 20.993) 27.564 2.703 ( 4.756 9.996 8.934) 14.225 2.881 ( -2.602 -4.036 3.262) 5.805 2.923 ( 2.937 8.185 3.611) 9.416 3.035 ( 1.253 0.792 3.313) 3.629 3.069 ( 6.283 -4.695 2.206) 8.147 3.098 ( -0.401 0.395 8.013) 8.033 3.358 ( 3.394 -1.333 -1.199) 3.838 4.396 ( 1.249 2.338 1.345) 2.972 4.721 ( -4.583 -8.265 1.029) 9.506 4.790 ( 15.608 10.625 -4.554) 19.422 5.143 ( -2.897 -6.424 9.291) 11.661 5.235 ( 7.479 -5.409 -1.608) 9.369 5.378 ( -8.032 -9.686 6.542) 14.182 5.615 ( -3.836 8.323 7.394) 11.776 5.752 ( 1.877 11.001 1.154) 11.219 5.892 ( -1.702 -3.489 9.104) 9.897 6.276 ( 8.992 -5.887 7.316) 13.001 6.430 ( -1.533 13.605 2.379) 13.896 6.943 ( -0.083 -1.198 25.774) 25.802 7.095 ( 10.459 -7.235 2.592) 12.979 7.204 ( 7.982 -6.199 8.062) 12.928 7.403 ( -8.739 5.145 -3.376) 10.688 7.581 ( -2.200 -7.256 0.778) 7.622 8.018 ( 8.769 4.826 8.401) 13.067 8.189 ( 4.122 -5.260 20.571) 21.629 8.831 ( 2.934 5.297 3.985) 7.249 9.064 ( 0.477 11.714 -1.018) 11.768 9.077 ( -1.339 -3.549 7.718) 8.600 9.307 ( -3.036 4.555 10.279) 11.646 9.736 ( -2.123 4.124 5.697) 7.346 9.836 ( -3.947 5.715 12.456) 14.261 10.232 ( -5.007 -15.013 3.819) 16.280 10.408 ( -8.178 -17.154 -9.091) 21.066 10.688 ( -18.218 5.408 0.130) 19.004 10.929 ( -21.229 -0.166 -8.222) 22.767 11.745 ( 10.234 12.686 7.750) 18.048 12.011 ( 13.718 8.560 -11.954) 20.109 12.260 ( 18.912 -0.955 -3.863) 19.326 12.688 ( 8.690 -9.733 -9.588) 16.192 13.147 ( 2.404 0.365 -6.522) 6.961 13.163 ( 2.158 -0.128 -5.563) 5.968 14.160 ( 2.453 3.474 16.912) 17.438 14.470 ( 4.798 -9.693 14.497) 18.087 16.021 ( -41.943 11.654 15.809) 46.314 16.383 ( -23.126 -3.380 2.931) 23.554 18.070 ( 20.529 5.468 10.384) 23.646 18.782 ( 28.056 -28.162 0.831) 39.761 20.931 ( -10.906 15.411 -5.348) 19.623 21.234 ( -8.912 -1.417 -3.512) 9.683 ======================= Grid point 101 (38/105) ======================= q-point: ( 0.25 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 21.272 8.155 7.030) 23.842 1.906 ( 15.914 8.346 16.253) 24.230 2.130 ( 15.614 -18.684 -4.587) 24.778 2.329 ( 6.998 -7.386 5.120) 11.391 2.630 ( -0.485 2.115 1.289) 2.524 2.807 ( -2.786 -6.167 3.489) 7.613 2.968 ( 2.858 7.154 4.552) 8.948 2.992 ( 0.903 2.748 0.735) 2.985 3.066 ( -0.810 2.652 8.709) 9.140 3.132 ( 10.763 9.107 10.836) 17.781 3.177 ( 3.125 -6.350 -5.053) 8.696 3.442 ( 3.549 1.691 -1.045) 4.068 4.469 ( 3.503 -2.039 1.433) 4.299 4.646 ( -2.225 -9.919 2.939) 10.581 4.968 ( -3.924 -0.736 9.075) 9.915 5.047 ( -1.688 5.462 0.386) 5.730 5.238 ( -0.492 -8.332 7.816) 11.435 5.383 ( 2.702 -8.421 -0.721) 8.873 5.603 ( 5.414 14.221 8.474) 17.417 5.796 ( 0.993 11.031 6.806) 13.000 6.028 ( 6.427 11.259 8.778) 15.657 6.240 ( 4.883 4.944 12.390) 14.206 6.565 ( 7.195 0.261 -1.276) 7.312 7.040 ( 6.354 1.230 6.479) 9.158 7.147 ( -10.716 -5.961 12.355) 17.407 7.297 ( 2.631 -5.161 -4.275) 7.199 7.398 ( 12.802 -9.503 4.555) 16.581 7.665 ( 8.070 -14.116 0.217) 16.261 8.128 ( 2.663 3.242 7.972) 9.009 8.301 ( 5.611 -1.409 14.793) 15.884 8.833 ( -4.047 7.994 7.036) 11.393 9.037 ( -0.575 7.193 4.640) 8.580 9.100 ( -0.591 2.974 9.332) 9.812 9.269 ( 0.630 8.703 10.543) 13.686 9.604 ( -5.944 -0.861 4.671) 7.609 9.738 ( -9.640 2.504 17.499) 20.135 9.958 ( -22.252 -6.407 -5.232) 23.740 10.196 ( -5.749 -9.800 12.709) 17.048 10.347 ( -12.217 1.832 3.145) 12.748 10.642 ( -7.981 -9.711 -8.585) 15.222 11.980 ( 11.782 11.693 0.988) 16.629 12.250 ( 8.286 3.551 -14.218) 16.835 12.656 ( 17.222 0.488 -8.174) 19.070 12.883 ( 8.653 -6.381 -12.221) 16.277 13.212 ( 3.420 0.211 -6.789) 7.605 13.221 ( 3.112 -0.120 -5.972) 6.735 14.232 ( 4.174 4.600 17.520) 18.589 14.589 ( 5.067 -10.813 15.414) 19.498 15.284 ( -24.891 18.716 19.653) 36.825 15.883 ( -22.656 -6.393 6.729) 24.484 18.526 ( 21.550 6.023 6.560) 23.317 19.259 ( 16.934 -27.450 0.485) 32.257 20.638 ( -15.590 16.545 -2.140) 22.834 20.987 ( -13.934 -2.137 -0.552) 14.107 ======================= Grid point 102 (39/105) ======================= q-point: ( 0.38 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 24.587 7.130 -1.475) 25.643 2.241 ( 15.378 3.505 10.422) 18.905 2.458 ( 11.187 -11.829 -2.018) 16.406 2.499 ( 11.123 -7.308 -0.081) 13.310 2.630 ( 0.007 -1.081 -0.461) 1.175 2.710 ( -7.074 -4.745 4.558) 9.660 2.854 ( -11.190 3.323 -1.287) 11.744 2.989 ( -2.977 1.088 5.201) 6.091 3.098 ( 4.449 4.470 0.391) 6.318 3.224 ( 2.883 -3.529 -10.903) 11.817 3.285 ( 1.642 5.460 3.410) 6.644 3.453 ( -3.115 2.406 -5.285) 6.590 4.492 ( -0.215 -4.547 2.937) 5.417 4.605 ( -2.856 -9.416 1.362) 9.933 4.883 ( -1.942 -0.133 8.402) 8.624 4.947 ( -5.288 -0.177 5.055) 7.318 5.330 ( 7.388 1.521 7.677) 10.762 5.468 ( 6.628 -3.674 11.922) 14.126 5.658 ( -3.339 14.618 8.842) 17.407 5.839 ( -8.696 13.437 16.724) 23.148 6.034 ( 15.762 0.349 7.306) 17.377 6.616 ( 8.761 -9.823 -0.595) 13.176 6.763 ( 10.476 5.489 2.508) 12.090 6.855 ( 2.037 3.970 7.080) 8.369 7.229 ( -4.535 -2.184 -5.634) 7.556 7.291 ( 5.835 4.434 9.127) 11.705 7.657 ( 7.338 -11.478 -0.724) 13.642 7.766 ( -1.279 -8.168 3.327) 8.912 8.172 ( 4.425 5.017 2.013) 6.986 8.430 ( 7.378 -0.887 9.851) 12.340 8.661 ( -10.719 7.860 5.889) 14.538 8.992 ( 0.130 -0.098 11.590) 11.591 9.161 ( 4.791 1.616 12.276) 13.276 9.228 ( -22.683 -1.562 0.542) 22.743 9.315 ( -5.265 -0.927 8.277) 9.853 9.537 ( -4.415 -2.591 16.121) 16.914 9.741 ( -0.020 4.988 16.865) 17.587 10.018 ( -9.919 1.644 13.404) 16.756 10.257 ( 1.549 -5.827 4.789) 7.699 10.490 ( -7.201 -10.669 -5.936) 14.175 12.205 ( 8.907 8.293 -6.700) 13.892 12.357 ( 2.020 3.366 -13.939) 14.481 12.943 ( 9.518 0.207 -9.465) 13.424 13.024 ( 4.446 -2.666 -11.624) 12.727 13.276 ( 2.464 -0.280 -7.076) 7.499 13.282 ( 2.370 -0.405 -7.359) 7.742 14.327 ( 4.787 5.581 18.415) 19.829 14.583 ( -6.099 -0.106 20.800) 21.676 15.051 ( 1.681 6.054 10.052) 11.854 15.470 ( -16.255 -6.618 7.619) 19.133 18.958 ( 19.418 3.422 6.040) 20.621 19.476 ( 2.238 -20.841 4.509) 21.440 20.366 ( -7.187 14.689 -0.459) 16.359 20.678 ( -14.724 -1.847 1.389) 14.904 ======================= Grid point 103 (40/105) ======================= q-point: (-0.50 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -17.173 3.359 -1.796) 17.591 2.413 ( 17.173 3.359 -1.796) 17.591 2.539 ( -7.582 -1.805 4.877) 9.194 2.539 ( 7.582 -1.805 4.877) 9.194 2.603 ( -5.540 -1.651 -0.300) 5.788 2.603 ( 5.540 -1.651 -0.300) 5.788 2.828 ( -11.223 -6.736 0.320) 13.093 2.828 ( 11.223 -6.736 0.320) 13.093 3.219 ( -5.715 4.238 -0.524) 7.134 3.219 ( 5.715 4.238 -0.524) 7.134 3.338 ( -6.453 1.435 -9.909) 11.912 3.338 ( 6.453 1.435 -9.909) 11.912 4.524 ( -3.587 -6.764 3.709) 8.507 4.524 ( 3.587 -6.764 3.709) 8.507 4.879 ( -1.306 -1.138 5.977) 6.223 4.879 ( 1.306 -1.138 5.977) 6.223 5.509 ( -8.582 10.519 11.096) 17.534 5.509 ( 8.582 10.519 11.096) 17.534 5.645 ( -8.468 2.277 12.894) 15.593 5.645 ( 8.468 2.277 12.894) 15.593 6.404 ( -16.516 -10.765 8.547) 21.488 6.404 ( 16.516 -10.765 8.547) 21.488 6.987 ( -14.773 12.975 -3.111) 19.906 6.987 ( 14.773 12.975 -3.111) 19.906 7.273 ( -14.927 2.795 6.930) 16.693 7.273 ( 14.927 2.795 6.930) 16.693 7.680 ( -2.840 -5.519 -1.518) 6.390 7.680 ( 2.840 -5.519 -1.518) 6.390 8.395 ( -12.797 -1.404 2.374) 13.090 8.395 ( 12.797 -1.404 2.374) 13.090 8.702 ( -18.082 2.495 3.844) 18.654 8.702 ( 18.082 2.495 3.844) 18.654 9.118 ( -8.316 -5.598 14.144) 17.336 9.118 ( 8.316 -5.598 14.144) 17.336 9.395 ( -8.589 -0.017 15.754) 17.944 9.395 ( 8.589 -0.017 15.754) 17.944 9.837 ( -7.232 4.680 15.738) 17.942 9.837 ( 7.232 4.680 15.738) 17.942 10.344 ( -6.160 -7.857 -0.319) 9.989 10.344 ( 6.160 -7.857 -0.319) 9.989 12.339 ( -3.667 5.227 -11.584) 13.227 12.339 ( 3.667 5.227 -11.584) 13.227 13.057 ( -1.652 -0.388 -10.159) 10.300 13.057 ( 1.652 -0.388 -10.159) 10.300 13.307 ( -0.224 -0.621 -7.764) 7.792 13.307 ( 0.224 -0.621 -7.764) 7.792 14.440 ( -6.217 5.868 19.851) 21.614 14.440 ( 6.217 5.868 19.851) 21.614 15.196 ( -10.199 -3.942 7.579) 13.305 15.196 ( 10.199 -3.942 7.579) 13.305 19.326 ( -14.534 -4.814 6.226) 16.528 19.326 ( 14.534 -4.814 6.226) 16.528 20.407 ( -9.587 3.005 1.094) 10.106 20.407 ( 9.587 3.005 1.094) 10.106 ======================= Grid point 108 (41/105) ======================= q-point: ( 0.00 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 -16.252 10.290) 19.236 1.215 ( 0.000 16.252 10.290) 19.236 1.863 ( 0.000 -13.759 16.499) 21.483 1.863 ( 0.000 13.759 16.499) 21.483 2.842 ( 0.000 -3.703 1.542) 4.012 2.842 ( 0.000 3.703 1.542) 4.012 2.858 ( 0.000 -9.936 14.274) 17.392 2.858 ( 0.000 9.936 14.274) 17.392 3.033 ( 0.000 -2.123 8.845) 9.097 3.033 ( 0.000 2.123 8.845) 9.097 3.133 ( 0.000 -10.787 5.029) 11.902 3.133 ( 0.000 10.787 5.029) 11.902 4.656 ( 0.000 -1.886 -6.848) 7.103 4.656 ( 0.000 1.886 -6.848) 7.103 4.765 ( 0.000 -7.822 2.715) 8.280 4.765 ( 0.000 7.822 2.715) 8.280 5.272 ( 0.000 -6.633 11.258) 13.067 5.272 ( 0.000 6.633 11.258) 13.067 5.840 ( 0.000 -4.317 6.154) 7.517 5.840 ( 0.000 4.317 6.154) 7.517 5.888 ( 0.000 -6.224 -0.573) 6.250 5.888 ( 0.000 6.224 -0.573) 6.250 6.732 ( 0.000 -11.102 5.567) 12.419 6.732 ( 0.000 11.102 5.567) 12.419 7.011 ( 0.000 -1.489 15.385) 15.456 7.011 ( 0.000 1.489 15.385) 15.456 7.699 ( 0.000 -7.566 0.311) 7.572 7.699 ( 0.000 7.566 0.311) 7.572 7.948 ( 0.000 -9.390 15.956) 18.513 7.948 ( 0.000 9.390 15.956) 18.513 8.937 ( 0.000 -7.665 5.199) 9.262 8.937 ( 0.000 7.665 5.199) 9.262 9.283 ( 0.000 -7.180 7.078) 10.082 9.283 ( 0.000 7.180 7.078) 10.082 9.989 ( 0.000 -16.474 -6.331) 17.649 9.989 ( 0.000 16.474 -6.331) 17.649 10.060 ( 0.000 -12.494 9.122) 15.470 10.060 ( 0.000 12.494 9.122) 15.470 11.170 ( 0.000 -11.781 -8.071) 14.280 11.170 ( 0.000 11.781 -8.071) 14.280 11.799 ( 0.000 -12.559 -1.859) 12.696 11.799 ( 0.000 12.559 -1.859) 12.696 12.260 ( 0.000 -18.749 -3.784) 19.127 12.260 ( 0.000 18.749 -3.784) 19.127 13.131 ( 0.000 -0.517 -5.977) 5.999 13.131 ( 0.000 0.517 -5.977) 5.999 14.237 ( 0.000 -6.938 17.205) 18.551 14.237 ( 0.000 6.938 17.205) 18.551 16.672 ( 0.000 -1.226 -1.774) 2.157 16.672 ( 0.000 1.226 -1.774) 2.157 17.946 ( 0.000 -11.122 17.297) 20.564 17.946 ( 0.000 11.122 17.297) 20.564 21.271 ( 0.000 -5.651 -7.772) 9.609 21.271 ( 0.000 5.651 -7.772) 9.609 ======================= Grid point 110 (42/105) ======================= q-point: ( 0.12 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 13.264 -18.880 6.019) 23.845 1.365 ( 13.264 18.880 6.019) 23.845 1.936 ( 6.722 -13.591 14.420) 20.924 1.936 ( 6.722 13.591 14.420) 20.924 2.763 ( -3.964 -4.315 3.063) 6.611 2.763 ( -3.964 4.315 3.063) 6.611 2.975 ( 6.668 -4.899 7.306) 11.038 2.975 ( 6.668 4.899 7.306) 11.038 3.054 ( 1.285 -3.672 7.122) 8.115 3.054 ( 1.285 3.672 7.122) 8.115 3.196 ( 6.135 -12.577 7.537) 15.894 3.196 ( 6.135 12.577 7.537) 15.894 4.511 ( -4.756 -8.553 1.830) 9.956 4.511 ( -4.756 8.553 1.830) 9.956 5.008 ( 12.029 -8.725 -1.527) 14.938 5.008 ( 12.029 8.725 -1.527) 14.938 5.210 ( -4.888 -4.674 6.046) 9.072 5.210 ( -4.888 4.674 6.046) 9.072 5.778 ( -1.621 -6.939 5.380) 8.929 5.778 ( -1.621 6.939 5.380) 8.929 6.031 ( 9.908 -13.608 2.463) 17.012 6.031 ( 9.908 13.608 2.463) 17.012 6.780 ( 3.280 -14.889 8.850) 17.629 6.780 ( 3.280 14.889 8.850) 17.629 7.062 ( 4.045 -5.720 13.873) 15.541 7.062 ( 4.045 5.720 13.873) 15.541 7.491 ( -11.675 -2.999 -0.585) 12.068 7.491 ( -11.675 2.999 -0.585) 12.068 8.087 ( 7.544 -3.505 11.141) 13.903 8.087 ( 7.544 3.505 11.141) 13.903 8.954 ( 1.663 -5.957 8.231) 10.296 8.954 ( 1.663 5.957 8.231) 10.296 9.314 ( 1.954 -6.149 8.100) 10.356 9.314 ( 1.954 6.149 8.100) 10.356 9.930 ( -6.159 -12.761 -2.318) 14.358 9.930 ( -6.159 12.761 -2.318) 14.358 10.024 ( -3.285 -14.257 7.656) 16.513 10.024 ( -3.285 14.257 7.656) 16.513 10.842 ( -22.199 -6.938 -5.083) 23.807 10.842 ( -22.199 6.938 -5.083) 23.807 11.995 ( 11.698 -9.015 -1.117) 14.811 11.995 ( 11.698 9.015 -1.117) 14.811 12.423 ( 13.780 -13.731 -10.411) 22.064 12.423 ( 13.780 13.731 -10.411) 22.064 13.156 ( 2.294 -0.453 -5.982) 6.423 13.156 ( 2.294 0.453 -5.982) 6.423 14.277 ( 3.612 -7.569 17.224) 19.158 14.277 ( 3.612 7.569 17.224) 19.158 16.255 ( -29.934 -8.960 7.028) 32.026 16.255 ( -29.934 8.960 7.028) 32.026 18.291 ( 24.020 -16.424 9.319) 30.554 18.291 ( 24.020 16.424 9.319) 30.554 21.161 ( -9.902 -6.318 -5.798) 13.099 21.161 ( -9.902 6.318 -5.798) 13.099 ======================= Grid point 112 (43/105) ======================= q-point: ( 0.25 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 19.745 -17.603 -0.429) 26.456 1.723 ( 19.745 17.603 -0.429) 26.456 2.125 ( 10.712 -10.976 10.227) 18.434 2.125 ( 10.712 10.976 10.227) 18.434 2.694 ( -2.637 -4.150 1.717) 5.208 2.694 ( -2.637 4.150 1.717) 5.208 3.049 ( -1.302 -1.726 3.994) 4.542 3.049 ( -1.302 1.726 3.994) 4.542 3.087 ( 3.149 -0.297 -0.285) 3.176 3.087 ( 3.149 0.297 -0.285) 3.176 3.356 ( 6.823 -9.428 7.179) 13.674 3.356 ( 6.823 9.428 7.179) 13.674 4.479 ( 0.269 -3.919 3.555) 5.298 4.479 ( 0.269 3.919 3.555) 5.298 5.033 ( -6.711 -5.386 7.041) 11.118 5.033 ( -6.711 5.386 7.041) 11.118 5.224 ( 5.198 -6.114 1.076) 8.097 5.224 ( 5.198 6.114 1.076) 8.097 5.858 ( 8.045 -7.278 5.303) 12.075 5.858 ( 8.045 7.278 5.303) 12.075 6.215 ( 5.513 -8.532 6.553) 12.088 6.215 ( 5.513 8.532 6.553) 12.088 6.798 ( -1.075 -19.327 12.225) 22.894 6.798 ( -1.075 19.327 12.225) 22.894 7.138 ( 4.239 -8.467 4.261) 10.383 7.138 ( 4.239 8.467 4.261) 10.383 7.426 ( 6.051 -8.624 -2.735) 10.885 7.426 ( 6.051 8.624 -2.735) 10.885 8.214 ( 4.715 -4.941 8.802) 11.141 8.214 ( 4.715 4.941 8.802) 11.141 8.996 ( 1.483 -6.038 12.993) 14.404 8.996 ( 1.483 6.038 12.993) 14.404 9.311 ( -3.299 -7.739 8.821) 12.190 9.311 ( -3.299 7.739 8.821) 12.190 9.683 ( -17.266 -8.717 -4.620) 19.885 9.683 ( -17.266 8.717 -4.620) 19.885 9.953 ( -2.276 -9.680 15.914) 18.765 9.953 ( -2.276 9.680 15.914) 18.765 10.452 ( -13.091 -7.201 -1.259) 14.994 10.452 ( -13.091 7.201 -1.259) 14.994 12.212 ( 8.880 -7.792 -5.129) 12.879 12.212 ( 8.880 7.792 -5.129) 12.879 12.732 ( 13.842 -6.558 -13.919) 20.696 12.732 ( 13.842 6.558 -13.919) 20.696 13.217 ( 3.140 -0.244 -6.410) 7.142 13.217 ( 3.140 0.244 -6.410) 7.142 14.377 ( 5.465 -8.784 17.076) 19.965 14.377 ( 5.465 8.784 17.076) 19.965 15.658 ( -24.503 -14.852 11.734) 30.963 15.658 ( -24.503 14.852 11.734) 30.963 18.766 ( 20.008 -17.395 5.466) 27.070 18.766 ( 20.008 17.395 5.466) 27.070 20.892 ( -14.700 -7.537 -2.189) 16.664 20.892 ( -14.700 7.537 -2.189) 16.664 ======================= Grid point 114 (44/105) ======================= q-point: ( 0.38 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 20.037 -12.717 -2.928) 23.912 2.154 ( 20.037 12.717 -2.928) 23.912 2.364 ( 11.614 -6.479 5.563) 14.416 2.364 ( 11.614 6.479 5.563) 14.416 2.634 ( -3.679 -1.913 1.262) 4.335 2.634 ( -3.679 1.913 1.262) 4.335 2.938 ( -9.346 -4.234 0.985) 10.308 2.938 ( -9.346 4.234 0.985) 10.308 3.175 ( 5.491 -2.467 -3.784) 7.111 3.175 ( 5.491 2.467 -3.784) 7.111 3.415 ( -1.537 -5.398 0.259) 5.618 3.415 ( -1.537 5.398 0.259) 5.618 4.465 ( -1.537 -2.763 3.436) 4.669 4.465 ( -1.537 2.763 3.436) 4.669 4.909 ( -4.323 -2.187 6.575) 8.167 4.909 ( -4.323 2.187 6.575) 8.167 5.387 ( 10.898 -3.322 7.269) 13.515 5.387 ( 10.898 3.322 7.269) 13.515 5.915 ( -6.334 -7.801 14.019) 17.248 5.915 ( -6.334 7.801 14.019) 17.248 6.252 ( 0.793 -19.527 6.510) 20.599 6.252 ( 0.793 19.527 6.510) 20.599 6.920 ( 13.427 -3.686 3.469) 14.349 6.920 ( 13.427 3.686 3.469) 14.349 7.254 ( 6.015 -7.465 -2.222) 9.841 7.254 ( 6.015 7.465 -2.222) 9.841 7.580 ( 4.078 -7.679 2.748) 9.119 7.580 ( 4.078 7.679 2.748) 9.119 8.307 ( 5.315 -7.530 5.847) 10.915 8.307 ( 5.315 7.530 5.847) 10.915 8.913 ( -12.537 -11.581 13.018) 21.466 8.913 ( -12.537 11.581 13.018) 21.466 9.172 ( -7.441 -7.333 5.161) 11.653 9.172 ( -7.441 7.333 5.161) 11.653 9.393 ( -5.542 -8.705 4.043) 11.083 9.393 ( -5.542 8.705 4.043) 11.083 9.933 ( -0.299 -9.627 18.766) 21.094 9.933 ( -0.299 9.627 18.766) 21.094 10.271 ( -5.066 -7.824 2.924) 9.769 10.271 ( -5.066 7.824 2.924) 9.769 12.357 ( 4.737 -4.223 -10.149) 11.970 12.357 ( 4.737 4.223 -10.149) 11.970 12.967 ( 7.958 -2.208 -12.631) 15.091 12.967 ( 7.958 2.208 -12.631) 15.091 13.275 ( 2.080 -0.220 -7.265) 7.560 13.275 ( 2.080 0.220 -7.265) 7.560 14.482 ( 3.982 -7.815 17.300) 19.397 14.482 ( 3.982 7.815 17.300) 19.397 15.266 ( -12.472 -11.786 10.859) 20.307 15.266 ( -12.472 11.786 10.859) 20.307 19.116 ( 12.832 -12.212 5.931) 18.681 19.116 ( 12.832 12.212 5.931) 18.681 20.593 ( -12.365 -6.830 0.225) 14.128 20.593 ( -12.365 6.830 0.225) 14.128 ======================= Grid point 116 (45/105) ======================= q-point: (-0.50 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -0.000 0.000 3.162) 3.162 2.481 ( 0.000 0.000 3.162) 3.162 2.484 ( -0.000 -0.000 -1.246) 1.246 2.484 ( 0.000 -0.000 -1.246) 1.246 2.615 ( 0.000 -0.000 -1.277) 1.277 2.615 ( 0.000 0.000 -1.277) 1.277 2.716 ( -0.000 -0.000 -0.280) 0.280 2.716 ( -0.000 0.000 -0.280) 0.280 3.297 ( 0.000 -0.000 -1.594) 1.594 3.297 ( 0.000 0.000 -1.594) 1.594 3.330 ( 0.000 -0.000 -5.992) 5.992 3.330 ( 0.000 0.000 -5.992) 5.992 4.445 ( 0.000 0.000 4.244) 4.244 4.445 ( 0.000 0.000 4.244) 4.244 4.862 ( 0.000 0.000 7.013) 7.013 4.862 ( 0.000 0.000 7.013) 7.013 5.615 ( -0.000 0.000 2.568) 2.568 5.615 ( 0.000 0.000 2.568) 2.568 5.714 ( -0.000 0.000 21.617) 21.617 5.714 ( 0.000 -0.000 21.617) 21.617 6.268 ( 0.000 0.000 7.276) 7.276 6.268 ( 0.000 0.000 7.276) 7.276 7.127 ( 0.000 0.000 -11.369) 11.369 7.127 ( 0.000 0.000 -11.369) 11.369 7.391 ( 0.000 0.000 22.589) 22.589 7.391 ( 0.000 0.000 22.589) 22.589 7.527 ( -0.000 -0.000 -9.541) 9.541 7.527 ( -0.000 0.000 -9.541) 9.541 8.433 ( 0.000 -0.000 1.459) 1.459 8.433 ( 0.000 0.000 1.459) 1.459 8.666 ( 0.000 -0.000 11.943) 11.943 8.666 ( -0.000 0.000 11.943) 11.943 9.088 ( 0.000 0.000 4.545) 4.545 9.088 ( 0.000 0.000 4.545) 4.545 9.366 ( 0.000 -0.000 12.819) 12.819 9.366 ( 0.000 0.000 12.819) 12.819 9.928 ( 0.000 0.000 15.156) 15.156 9.928 ( 0.000 0.000 15.156) 15.156 10.220 ( 0.000 0.000 7.077) 7.077 10.220 ( 0.000 0.000 7.077) 7.077 12.407 ( 0.000 0.000 -11.911) 11.911 12.407 ( 0.000 0.000 -11.911) 11.911 13.052 ( 0.000 -0.000 -11.745) 11.745 13.052 ( 0.000 0.000 -11.745) 11.745 13.297 ( 0.000 0.000 -7.714) 7.714 13.297 ( 0.000 0.000 -7.714) 7.714 14.527 ( -0.000 -0.000 17.895) 17.895 14.527 ( 0.000 0.000 17.895) 17.895 15.136 ( 0.000 -0.000 9.397) 9.397 15.136 ( 0.000 0.000 9.397) 9.397 19.263 ( 0.000 0.000 6.771) 6.771 19.263 ( 0.000 0.000 6.771) 6.771 20.446 ( 0.000 0.000 0.811) 0.811 20.446 ( 0.000 0.000 0.811) 0.811 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.000 0.000 14.813) 14.813 1.856 ( 0.000 0.000 26.469) 26.469 2.054 ( 0.000 0.000 5.848) 5.848 2.537 ( 0.000 0.000 13.443) 13.443 2.722 ( 0.000 0.000 6.383) 6.383 2.737 ( 0.000 0.000 34.071) 34.071 2.840 ( 0.000 0.000 2.698) 2.698 3.025 ( 0.000 0.000 4.002) 4.002 3.154 ( 0.000 0.000 5.936) 5.936 3.189 ( 0.000 0.000 5.898) 5.898 3.209 ( 0.000 0.000 -2.090) 2.090 3.266 ( 0.000 0.000 10.621) 10.621 4.313 ( 0.000 0.000 -0.698) 0.698 4.438 ( 0.000 0.000 -1.915) 1.915 4.765 ( 0.000 0.000 -0.755) 0.755 5.182 ( 0.000 0.000 -1.280) 1.280 5.418 ( 0.000 0.000 2.092) 2.092 5.513 ( 0.000 0.000 -6.015) 6.015 5.546 ( 0.000 0.000 -9.942) 9.942 5.972 ( 0.000 0.000 13.400) 13.400 6.109 ( 0.000 0.000 6.059) 6.059 6.223 ( 0.000 0.000 -14.240) 14.240 6.415 ( 0.000 0.000 9.111) 9.111 7.181 ( 0.000 0.000 7.326) 7.326 7.250 ( 0.000 0.000 7.161) 7.161 7.382 ( 0.000 0.000 24.297) 24.297 7.591 ( 0.000 0.000 2.331) 2.331 7.934 ( 0.000 0.000 14.364) 14.364 8.102 ( 0.000 0.000 48.125) 48.125 8.706 ( 0.000 0.000 1.025) 1.025 8.734 ( 0.000 0.000 3.416) 3.416 8.933 ( 0.000 0.000 25.291) 25.291 9.356 ( 0.000 0.000 9.473) 9.473 9.491 ( 0.000 0.000 3.600) 3.600 9.853 ( 0.000 0.000 8.234) 8.234 9.950 ( 0.000 0.000 5.440) 5.440 10.393 ( 0.000 0.000 -7.937) 7.937 10.479 ( 0.000 0.000 -8.330) 8.330 10.957 ( 0.000 0.000 4.183) 4.183 10.973 ( 0.000 0.000 -17.942) 17.942 11.241 ( 0.000 0.000 -9.678) 9.678 12.043 ( 0.000 0.000 32.969) 32.969 12.135 ( 0.000 0.000 4.528) 4.528 12.545 ( 0.000 0.000 -7.759) 7.759 12.966 ( 0.000 0.000 -8.660) 8.660 13.019 ( 0.000 0.000 -6.712) 6.712 14.364 ( 0.000 0.000 10.213) 10.213 14.721 ( 0.000 0.000 8.298) 8.298 16.602 ( 0.000 0.000 -2.447) 2.447 16.649 ( 0.000 0.000 -2.544) 2.544 18.129 ( 0.000 0.000 18.389) 18.389 18.523 ( 0.000 0.000 -12.002) 12.002 20.852 ( 0.000 0.000 3.253) 3.253 21.250 ( 0.000 0.000 -5.353) 5.353 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.12 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -3.520 0.000 25.074) 25.319 1.950 ( 8.512 0.000 24.117) 25.575 2.030 ( 5.315 0.000 -1.995) 5.677 2.522 ( -2.228 0.000 8.232) 8.528 2.670 ( -3.353 0.000 5.171) 6.163 2.846 ( -0.254 0.000 -0.088) 0.269 2.966 ( 16.375 0.000 26.256) 30.944 3.000 ( -2.044 0.000 5.004) 5.405 3.162 ( -1.916 0.000 6.249) 6.536 3.219 ( 0.734 0.000 -0.045) 0.735 3.230 ( 5.288 0.000 4.856) 7.180 3.270 ( -0.215 0.000 7.728) 7.731 4.369 ( 4.622 0.000 -1.153) 4.764 4.635 ( 17.147 0.000 -2.724) 17.362 4.781 ( 1.428 0.000 2.090) 2.531 5.260 ( 3.337 0.000 -3.046) 4.518 5.352 ( -10.186 0.000 -13.261) 16.721 5.508 ( 11.701 0.000 4.034) 12.377 5.513 ( -5.471 0.000 4.859) 7.317 5.865 ( -7.683 0.000 12.001) 14.249 6.108 ( -0.271 0.000 6.563) 6.569 6.208 ( -1.096 0.000 -8.581) 8.650 6.436 ( 0.866 0.000 3.884) 3.980 7.079 ( -8.707 0.000 5.714) 10.414 7.334 ( 8.127 0.000 3.810) 8.975 7.361 ( 1.024 0.000 17.925) 17.954 7.758 ( 11.622 0.000 9.439) 14.972 8.051 ( 8.087 0.000 17.108) 18.923 8.130 ( 1.689 0.000 40.473) 40.508 8.699 ( -3.226 0.000 7.022) 7.728 8.794 ( 6.795 0.000 2.429) 7.216 8.971 ( 3.778 0.000 22.513) 22.828 9.300 ( -10.837 0.000 1.396) 10.927 9.352 ( -1.576 0.000 9.262) 9.396 9.826 ( -7.677 0.000 3.900) 8.611 10.008 ( 9.006 0.000 11.993) 14.998 10.338 ( -11.948 0.000 -7.843) 14.292 10.467 ( -1.513 0.000 -7.057) 7.217 10.635 ( -13.080 0.000 -2.781) 13.372 10.838 ( -10.306 0.000 4.551) 11.266 11.557 ( 16.519 0.000 -16.344) 23.238 11.995 ( -0.867 0.000 23.242) 23.258 12.322 ( 12.992 0.000 6.481) 14.519 12.612 ( 5.687 0.000 -9.277) 10.882 12.990 ( 2.193 0.000 -8.750) 9.020 13.045 ( 2.220 0.000 -6.349) 6.726 14.389 ( 2.344 0.000 10.372) 10.634 14.779 ( 5.340 0.000 7.843) 9.488 16.140 ( -34.990 0.000 7.101) 35.703 16.436 ( -17.434 0.000 0.275) 17.436 18.236 ( 13.555 0.000 10.912) 17.402 18.973 ( 29.531 0.000 -10.089) 31.206 20.733 ( -10.954 0.000 3.409) 11.472 21.186 ( -6.007 0.000 -3.631) 7.019 ======================= Grid point 137 (48/105) ======================= q-point: ( 0.25 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 5.265 0.000 19.489) 20.187 2.183 ( 12.829 0.000 18.704) 22.681 2.272 ( 15.020 0.000 -4.999) 15.830 2.503 ( 1.299 0.000 4.863) 5.033 2.624 ( -0.694 0.000 2.016) 2.132 2.817 ( -2.516 0.000 -4.021) 4.743 2.966 ( -0.829 0.000 2.870) 2.988 3.067 ( -4.845 0.000 7.037) 8.544 3.191 ( -4.143 0.000 7.334) 8.423 3.244 ( 5.222 0.000 8.734) 10.176 3.254 ( -1.403 0.000 -0.820) 1.625 3.324 ( 2.965 0.000 3.281) 4.422 4.461 ( 3.158 0.000 -2.893) 4.282 4.761 ( -2.370 0.000 -0.188) 2.378 5.073 ( 15.487 0.000 8.972) 17.899 5.189 ( -4.034 0.000 -9.195) 10.042 5.315 ( 8.295 0.000 -4.376) 9.379 5.369 ( -6.252 0.000 12.321) 13.817 5.719 ( -0.491 0.000 5.428) 5.450 5.904 ( 15.044 0.000 11.679) 19.045 6.079 ( -2.996 0.000 12.802) 13.148 6.258 ( 11.480 0.000 -0.799) 11.508 6.436 ( -0.270 0.000 -7.583) 7.588 6.877 ( -9.427 0.000 -1.672) 9.575 7.437 ( 5.172 0.000 16.656) 17.440 7.579 ( 14.814 0.000 2.789) 15.074 7.949 ( 2.681 0.000 19.860) 20.040 8.105 ( -5.281 0.000 15.400) 16.280 8.138 ( -1.526 0.000 16.646) 16.716 8.597 ( -6.057 0.000 10.462) 12.088 8.861 ( -1.610 0.000 7.642) 7.810 9.085 ( 6.032 0.000 15.557) 16.686 9.263 ( 8.720 0.000 3.334) 9.336 9.291 ( -0.911 0.000 10.847) 10.885 9.732 ( -7.647 0.000 4.739) 8.997 9.932 ( -12.752 0.000 2.001) 12.908 10.137 ( 2.641 0.000 18.004) 18.196 10.388 ( -7.058 0.000 1.996) 7.335 10.519 ( -3.768 0.000 7.949) 8.797 10.591 ( -11.224 0.000 -1.669) 11.347 11.842 ( 10.567 0.000 -17.573) 20.506 12.012 ( 1.974 0.000 12.525) 12.680 12.608 ( 13.047 0.000 0.288) 13.050 12.747 ( 6.433 0.000 -10.800) 12.571 13.049 ( 3.092 0.000 -9.151) 9.660 13.098 ( 2.496 0.000 -6.436) 6.903 14.460 ( 4.312 0.000 10.793) 11.623 14.932 ( 8.745 0.000 6.669) 10.998 15.431 ( -29.058 0.000 15.428) 32.900 16.028 ( -19.782 0.000 3.044) 20.015 18.614 ( 20.550 0.000 7.832) 21.991 19.547 ( 24.256 0.000 -6.849) 25.204 20.416 ( -18.470 0.000 4.600) 19.034 21.004 ( -11.107 0.000 -0.510) 11.118 ======================= Grid point 138 (49/105) ======================= q-point: ( 0.38 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 16.843 0.000 6.758) 18.148 2.449 ( 10.671 0.000 11.532) 15.711 2.521 ( 5.351 0.000 -1.483) 5.553 2.627 ( -0.034 0.000 -1.317) 1.318 2.651 ( 14.647 0.000 -2.724) 14.899 2.708 ( -8.685 0.000 -4.565) 9.812 2.932 ( -7.841 0.000 7.822) 11.075 2.976 ( 2.375 0.000 0.857) 2.525 3.111 ( -1.211 0.000 4.780) 4.931 3.178 ( -5.909 0.000 -2.360) 6.362 3.231 ( -4.954 0.000 -1.027) 5.059 3.312 ( -4.297 0.000 1.548) 4.568 4.506 ( 2.107 0.000 -4.675) 5.128 4.676 ( -4.972 0.000 -2.690) 5.653 5.134 ( -2.693 0.000 7.900) 8.346 5.135 ( -1.876 0.000 12.171) 12.315 5.353 ( 5.487 0.000 4.294) 6.968 5.575 ( 4.138 0.000 2.066) 4.625 5.759 ( 3.527 0.000 7.058) 7.891 5.981 ( -5.909 0.000 15.520) 16.607 6.241 ( 24.860 0.000 11.013) 27.190 6.451 ( 1.976 0.000 -13.048) 13.196 6.695 ( -1.966 0.000 -3.599) 4.101 6.778 ( 26.257 0.000 2.281) 26.356 7.492 ( -6.820 0.000 15.846) 17.252 7.759 ( -13.532 0.000 27.272) 30.445 7.887 ( -15.231 0.000 -2.965) 15.517 7.914 ( 9.932 0.000 8.028) 12.771 8.047 ( 1.865 0.000 4.198) 4.594 8.566 ( 3.522 0.000 7.822) 8.578 8.810 ( -2.902 0.000 12.474) 12.807 8.998 ( -19.373 0.000 -3.813) 19.745 9.397 ( 10.670 0.000 14.274) 17.822 9.503 ( 10.486 0.000 11.207) 15.348 9.563 ( 4.222 0.000 22.597) 22.988 9.984 ( 7.828 0.000 15.431) 17.304 10.073 ( -11.071 0.000 27.718) 29.847 10.206 ( -5.665 0.000 7.783) 9.626 10.410 ( -6.734 0.000 -7.522) 10.096 10.411 ( -6.161 0.000 5.978) 8.585 12.006 ( 5.229 0.000 -14.989) 15.875 12.057 ( 1.760 0.000 0.371) 1.799 12.829 ( 7.314 0.000 -4.222) 8.445 12.861 ( 4.078 0.000 -9.857) 10.668 13.109 ( 2.371 0.000 -9.648) 9.936 13.137 ( 1.044 0.000 -7.989) 8.057 14.566 ( 5.774 0.000 11.793) 13.130 14.961 ( -16.139 0.000 16.086) 22.786 15.131 ( 10.016 0.000 5.479) 11.417 15.646 ( -16.075 0.000 4.417) 16.671 19.062 ( 21.745 0.000 7.578) 23.027 19.988 ( -21.704 0.000 6.421) 22.634 20.004 ( 19.731 0.000 -1.956) 19.828 20.730 ( -14.799 0.000 1.489) 14.873 ======================= Grid point 139 (50/105) ======================= q-point: (-0.50 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -18.567 0.000 -2.175) 18.694 2.320 ( 18.567 0.000 -2.175) 18.694 2.603 ( -2.751 0.000 -1.575) 3.170 2.603 ( 2.751 0.000 -1.575) 3.170 2.742 ( -9.704 0.000 9.351) 13.476 2.742 ( 9.704 0.000 9.351) 13.476 2.955 ( -12.302 0.000 -2.308) 12.516 2.955 ( 12.302 0.000 -2.308) 12.516 3.090 ( -6.843 0.000 -4.542) 8.213 3.090 ( 6.843 0.000 -4.542) 8.213 3.192 ( -5.771 0.000 2.723) 6.381 3.192 ( 5.771 0.000 2.723) 6.381 4.574 ( -4.341 0.000 -4.812) 6.480 4.574 ( 4.341 0.000 -4.812) 6.480 5.104 ( -0.294 0.000 13.486) 13.489 5.104 ( 0.294 0.000 13.486) 13.489 5.510 ( -7.307 0.000 3.489) 8.097 5.510 ( 7.307 0.000 3.489) 8.097 5.854 ( -5.651 0.000 11.120) 12.474 5.854 ( 5.651 0.000 11.120) 12.474 6.516 ( -3.390 0.000 -11.838) 12.313 6.516 ( 3.390 0.000 -11.838) 12.313 6.973 ( -32.112 0.000 16.527) 36.115 6.973 ( 32.112 0.000 16.527) 36.115 7.383 ( -26.141 0.000 6.807) 27.012 7.383 ( 26.141 0.000 6.807) 27.012 7.819 ( -6.401 0.000 10.836) 12.585 7.819 ( 6.401 0.000 10.836) 12.585 8.437 ( -21.999 0.000 -6.473) 22.932 8.437 ( 21.999 0.000 -6.473) 22.932 8.735 ( -2.934 0.000 14.479) 14.773 8.735 ( 2.934 0.000 14.479) 14.773 9.590 ( -3.755 0.000 13.163) 13.689 9.590 ( 3.755 0.000 13.163) 13.689 9.778 ( -13.985 0.000 25.861) 29.400 9.778 ( 13.985 0.000 25.861) 29.400 10.130 ( -4.447 0.000 20.492) 20.969 10.130 ( 4.447 0.000 20.492) 20.969 10.318 ( -0.157 0.000 -5.828) 5.830 10.318 ( 0.157 0.000 -5.828) 5.830 12.069 ( -0.940 0.000 -9.054) 9.102 12.069 ( 0.940 0.000 -9.054) 9.102 12.906 ( -0.263 0.000 -7.330) 7.335 12.906 ( 0.263 0.000 -7.330) 7.335 13.141 ( -0.639 0.000 -9.481) 9.503 13.141 ( 0.639 0.000 -9.481) 9.503 14.712 ( -8.581 0.000 13.828) 16.274 14.712 ( 8.581 0.000 13.828) 16.274 15.356 ( -11.789 0.000 4.889) 12.762 15.356 ( 11.789 0.000 4.889) 12.762 19.524 ( -22.155 0.000 7.521) 23.397 19.524 ( 22.155 0.000 7.521) 23.397 20.391 ( -17.283 0.000 1.136) 17.321 20.391 ( 17.283 0.000 1.136) 17.321 ======================= Grid point 144 (51/105) ======================= q-point: ( 0.00 0.25 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 -12.335 28.638) 31.181 1.662 ( 0.000 -6.012 10.744) 12.311 2.045 ( 0.000 2.350 15.898) 16.070 2.406 ( 0.000 -9.865 11.875) 15.438 2.824 ( 0.000 5.267 5.880) 7.893 2.859 ( 0.000 0.735 -2.011) 2.141 2.989 ( 0.000 15.153 25.964) 30.062 3.037 ( 0.000 2.214 6.342) 6.717 3.117 ( 0.000 -0.306 7.141) 7.148 3.124 ( 0.000 -1.829 6.942) 7.179 3.269 ( 0.000 -1.182 9.258) 9.333 3.311 ( 0.000 4.510 0.739) 4.570 4.400 ( 0.000 7.301 -2.162) 7.614 4.500 ( 0.000 5.049 -2.392) 5.587 4.794 ( 0.000 1.727 1.951) 2.606 5.044 ( 0.000 -10.520 -0.036) 10.520 5.303 ( 0.000 -4.799 -4.906) 6.863 5.463 ( 0.000 -5.564 -9.051) 10.625 5.707 ( 0.000 9.953 -2.836) 10.349 5.880 ( 0.000 -4.203 10.779) 11.569 6.065 ( 0.000 -3.193 6.404) 7.156 6.225 ( 0.000 -14.445 9.191) 17.121 6.421 ( 0.000 14.320 -7.989) 16.397 7.061 ( 0.000 -10.692 5.525) 12.035 7.271 ( 0.000 1.575 9.453) 9.583 7.351 ( 0.000 -2.520 19.557) 19.719 7.723 ( 0.000 10.355 5.507) 11.728 7.969 ( 0.000 1.415 16.206) 16.268 8.166 ( 0.000 6.210 43.441) 43.883 8.632 ( 0.000 -9.078 21.231) 23.090 8.813 ( 0.000 6.620 3.491) 7.484 9.083 ( 0.000 15.855 5.938) 16.930 9.236 ( 0.000 -9.238 5.272) 10.637 9.532 ( 0.000 1.724 8.039) 8.221 9.777 ( 0.000 -2.688 4.026) 4.840 10.086 ( 0.000 8.100 8.365) 11.645 10.183 ( 0.000 -19.476 -12.607) 23.200 10.373 ( 0.000 -5.472 0.262) 5.478 10.887 ( 0.000 4.541 -2.772) 5.320 11.183 ( 0.000 -5.223 -8.812) 10.244 11.338 ( 0.000 18.755 -10.202) 21.350 12.014 ( 0.000 -10.686 -0.024) 10.686 12.134 ( 0.000 7.813 25.789) 26.946 12.489 ( 0.000 -5.345 -1.390) 5.522 12.977 ( 0.000 0.919 -8.205) 8.256 13.016 ( 0.000 -0.387 -6.762) 6.773 14.400 ( 0.000 3.360 10.366) 10.897 14.648 ( 0.000 -6.111 9.291) 11.121 16.609 ( 0.000 0.592 -2.584) 2.651 16.643 ( 0.000 -0.560 -2.695) 2.753 18.142 ( 0.000 1.485 16.442) 16.509 18.390 ( 0.000 -9.770 -2.347) 10.048 20.971 ( 0.000 8.920 -1.695) 9.080 21.229 ( 0.000 -2.247 -5.665) 6.095 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.12 0.25 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.465 -5.393 25.753) 26.316 1.823 ( 10.618 -11.278 6.927) 16.968 2.064 ( 3.626 4.972 16.901) 17.987 2.402 ( 0.047 -8.070 9.598) 12.539 2.750 ( -4.744 3.619 4.585) 7.525 2.873 ( -0.015 1.421 -1.125) 1.813 3.005 ( -1.963 0.475 5.181) 5.561 3.079 ( 0.436 -0.801 8.387) 8.436 3.143 ( 3.660 1.156 7.952) 8.830 3.181 ( 7.463 9.212 14.667) 18.860 3.269 ( -0.330 -0.578 8.991) 9.016 3.363 ( 4.176 4.948 1.318) 6.607 4.408 ( 2.370 3.876 -0.155) 4.546 4.667 ( 9.792 -0.481 -4.747) 10.892 4.819 ( 5.187 4.532 5.223) 8.644 5.170 ( 8.749 -8.762 -2.712) 12.676 5.240 ( -5.124 -6.113 -0.659) 8.004 5.334 ( -7.034 -3.715 -9.146) 12.121 5.775 ( 2.953 8.486 5.196) 10.379 5.842 ( 0.113 3.210 8.202) 8.808 6.036 ( -1.450 -3.509 5.732) 6.875 6.284 ( 4.285 -6.340 -2.556) 8.068 6.498 ( 4.628 12.444 1.236) 13.334 7.084 ( -0.387 -3.667 6.215) 7.227 7.246 ( -1.377 -2.171 4.415) 5.109 7.382 ( 2.489 0.069 18.693) 18.858 7.635 ( 1.663 -3.868 7.175) 8.319 7.931 ( -5.981 -7.650 27.682) 29.335 8.297 ( 6.517 6.240 27.007) 28.475 8.626 ( -0.260 -9.862 22.322) 24.405 8.897 ( 5.700 13.310 0.113) 14.479 9.102 ( 2.864 11.587 8.234) 14.501 9.233 ( 2.114 -2.776 7.874) 8.612 9.496 ( -2.182 7.640 9.791) 12.609 9.815 ( -5.201 -0.986 3.093) 6.131 10.029 ( 3.136 -1.573 4.419) 5.642 10.138 ( -8.421 -12.176 -6.043) 15.990 10.356 ( -1.779 -7.757 -0.812) 8.000 10.709 ( -12.634 4.636 1.052) 13.498 10.847 ( -15.973 -0.445 1.298) 16.031 11.675 ( 16.086 9.829 -14.679) 23.892 12.036 ( 1.054 0.806 9.901) 9.989 12.278 ( 12.517 -1.298 8.787) 15.348 12.544 ( 5.057 -6.090 -3.815) 8.787 13.001 ( 2.175 0.929 -8.304) 8.634 13.042 ( 2.192 -0.401 -6.511) 6.882 14.429 ( 2.735 3.738 10.452) 11.432 14.697 ( 4.437 -6.727 9.018) 12.093 16.213 ( -30.198 5.868 5.040) 31.173 16.416 ( -18.524 -2.074 0.576) 18.649 18.282 ( 14.792 4.707 10.296) 18.627 18.768 ( 25.470 -15.631 -1.949) 29.948 20.872 ( -9.113 10.138 -1.214) 13.686 21.161 ( -6.318 -2.595 -4.041) 7.936 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.25 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 9.138 1.909 17.020) 19.413 2.086 ( 14.275 -13.831 0.259) 19.878 2.220 ( 10.283 3.373 15.202) 18.661 2.432 ( 3.050 -4.588 5.358) 7.686 2.668 ( -2.671 2.473 2.699) 4.532 2.845 ( -2.233 -1.211 -1.149) 2.788 2.975 ( -2.705 -0.495 1.928) 3.358 3.029 ( -2.208 -0.047 0.381) 2.242 3.163 ( -1.742 -1.019 4.197) 4.657 3.235 ( -2.950 0.819 8.332) 8.877 3.344 ( 4.089 7.324 8.622) 12.030 3.438 ( 1.508 5.374 0.548) 5.608 4.472 ( 2.534 1.370 -1.256) 3.142 4.707 ( -2.360 -6.054 2.519) 6.969 5.040 ( 4.084 -1.864 1.425) 4.710 5.131 ( -3.905 -3.758 3.528) 6.466 5.248 ( 7.764 0.805 -2.944) 8.342 5.390 ( 8.035 -5.290 2.827) 10.027 5.782 ( 2.684 7.888 8.730) 12.068 5.955 ( 2.897 5.377 5.054) 7.928 6.145 ( 16.028 3.244 5.886) 17.380 6.379 ( 3.004 -3.774 -9.780) 10.905 6.509 ( -1.283 18.593 8.225) 20.372 6.952 ( -7.592 7.394 1.925) 10.771 7.369 ( 10.168 -15.299 1.023) 18.398 7.465 ( 4.183 -2.227 15.779) 16.475 7.733 ( -8.277 -16.170 21.273) 27.974 7.832 ( 11.283 -9.042 12.213) 18.927 8.329 ( -3.056 5.616 17.856) 18.966 8.637 ( 0.707 -6.648 19.115) 20.251 8.903 ( -4.541 14.711 -0.134) 15.397 9.228 ( 4.889 8.698 14.966) 17.987 9.319 ( -4.920 4.326 10.475) 12.355 9.421 ( 5.631 8.653 5.290) 11.600 9.696 ( -7.556 -3.218 5.992) 10.166 9.805 ( -12.813 -10.194 1.448) 16.438 10.135 ( 2.148 -0.796 11.495) 11.721 10.329 ( 0.251 -7.157 -0.487) 7.178 10.475 ( -11.096 2.076 10.500) 15.417 10.594 ( -7.357 -2.173 7.369) 10.638 11.934 ( 8.730 7.357 -16.890) 20.387 12.063 ( 1.683 3.558 5.612) 6.855 12.568 ( 13.414 -2.731 -1.134) 13.736 12.683 ( 7.516 -5.426 -7.304) 11.802 13.057 ( 2.890 0.744 -8.734) 9.230 13.093 ( 2.328 -0.516 -6.730) 7.140 14.509 ( 4.675 4.465 10.704) 12.505 14.817 ( 6.266 -8.310 8.601) 13.502 15.593 ( -25.375 12.053 11.604) 30.395 15.987 ( -20.497 -4.113 3.871) 21.261 18.669 ( 20.274 5.655 7.656) 22.397 19.266 ( 20.476 -19.935 0.010) 28.578 20.618 ( -13.957 13.316 0.060) 19.290 20.973 ( -11.282 -3.189 -0.985) 11.766 ======================= Grid point 147 (54/105) ======================= q-point: ( 0.38 0.25 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 17.439 4.963 5.291) 18.887 2.399 ( 13.955 -12.830 -2.831) 19.166 2.447 ( 9.963 0.158 9.667) 13.883 2.522 ( 5.275 -2.656 1.679) 6.140 2.631 ( -1.418 0.501 0.680) 1.651 2.774 ( -6.530 2.497 -4.627) 8.384 2.826 ( -8.140 -6.246 6.549) 12.172 3.018 ( -4.810 -6.245 -7.478) 10.866 3.101 ( 0.644 5.904 4.365) 7.371 3.181 ( -0.556 2.815 6.369) 6.986 3.339 ( -3.739 5.411 1.619) 6.774 3.389 ( -5.852 4.625 -1.200) 7.555 4.506 ( 1.476 0.293 -1.508) 2.131 4.636 ( -3.884 -3.980 1.452) 5.748 5.027 ( -1.579 -5.186 5.869) 7.989 5.066 ( -2.565 -4.388 6.898) 8.569 5.411 ( 8.175 4.115 4.729) 10.302 5.594 ( 6.775 -3.741 3.089) 8.332 5.884 ( 0.876 12.393 9.368) 15.560 6.063 ( 4.730 8.592 7.483) 12.337 6.225 ( 1.370 -3.032 5.697) 6.597 6.510 ( 7.378 2.243 -6.528) 10.104 6.718 ( 10.179 4.357 -0.007) 11.072 6.912 ( 13.589 11.778 2.838) 18.205 7.323 ( -13.824 -16.195 12.475) 24.678 7.603 ( 6.282 -16.704 1.104) 17.880 7.697 ( 2.546 4.033 19.056) 19.644 8.025 ( 4.056 -0.273 11.409) 12.112 8.237 ( -3.457 8.124 11.953) 14.860 8.643 ( 1.294 -6.494 12.213) 13.892 8.706 ( -12.182 10.404 -1.826) 16.124 9.128 ( -15.458 4.815 -0.332) 16.194 9.234 ( -0.045 -3.187 9.969) 10.466 9.523 ( 7.558 -3.467 15.982) 18.016 9.542 ( -2.537 -6.837 17.174) 18.658 9.816 ( 2.530 -10.280 15.741) 18.970 10.151 ( 0.690 7.144 20.796) 21.999 10.275 ( -5.578 4.356 11.888) 13.835 10.339 ( -0.479 -0.186 3.517) 3.554 10.481 ( -4.387 -0.836 8.550) 9.646 12.060 ( 3.770 4.273 -15.822) 16.817 12.099 ( 1.341 3.084 -4.286) 5.448 12.796 ( 7.650 -2.322 -6.174) 10.101 12.827 ( 5.430 -2.828 -7.870) 9.970 13.111 ( 2.009 0.196 -9.296) 9.513 13.130 ( 1.054 -0.567 -8.011) 8.099 14.620 ( 5.876 4.842 11.428) 13.732 14.893 ( -1.947 -5.470 11.136) 12.559 15.246 ( -5.097 9.121 9.149) 13.888 15.600 ( -15.830 -4.484 5.342) 17.299 19.095 ( 19.743 3.687 7.799) 21.545 19.575 ( 6.567 -18.691 5.337) 20.517 20.365 ( -6.904 14.438 0.277) 16.006 20.703 ( -13.815 -2.705 1.043) 14.116 ======================= Grid point 148 (55/105) ======================= q-point: (-0.50 0.25 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -17.094 3.810 -2.742) 17.727 2.364 ( 17.094 3.810 -2.742) 17.727 2.581 ( -3.709 -1.755 -0.041) 4.103 2.581 ( 3.709 -1.755 -0.041) 4.103 2.678 ( -8.021 -4.404 6.777) 11.387 2.678 ( 8.021 -4.404 6.777) 11.387 2.805 ( -11.904 -8.149 -2.446) 14.632 2.805 ( 11.904 -8.149 -2.446) 14.632 3.208 ( -5.158 5.173 -2.326) 7.666 3.208 ( 5.158 5.173 -2.326) 7.666 3.251 ( -3.873 4.416 2.608) 6.427 3.251 ( 3.873 4.416 2.608) 6.427 4.557 ( -3.339 -1.399 -0.263) 3.630 4.557 ( 3.339 -1.399 -0.263) 3.630 5.022 ( -1.197 -4.838 8.505) 9.858 5.022 ( 1.197 -4.838 8.505) 9.858 5.594 ( -7.050 4.395 2.878) 8.792 5.594 ( 7.050 4.395 2.878) 8.792 5.930 ( -6.643 7.185 11.273) 14.928 5.930 ( 6.643 7.185 11.273) 14.928 6.473 ( -9.849 -4.520 -3.264) 11.318 6.473 ( 9.849 -4.520 -3.264) 11.318 6.969 ( -17.984 0.566 6.911) 19.274 6.969 ( 17.984 0.566 6.911) 19.274 7.390 ( -21.582 0.952 2.320) 21.727 7.390 ( 21.582 0.952 2.320) 21.727 7.891 ( -13.479 2.947 18.649) 23.198 7.891 ( 13.479 2.947 18.649) 23.198 8.388 ( -15.807 0.922 -2.206) 15.987 8.388 ( 15.807 0.922 -2.206) 15.987 8.808 ( -11.815 2.642 8.154) 14.597 8.808 ( 11.815 2.642 8.154) 14.597 9.376 ( -9.512 -13.788 10.787) 19.924 9.376 ( 9.512 -13.788 10.787) 19.924 9.740 ( -9.257 -4.031 20.620) 22.959 9.740 ( 9.257 -4.031 20.620) 22.959 10.194 ( -4.128 4.924 20.872) 21.839 10.194 ( 4.128 4.924 20.872) 21.839 10.385 ( -4.772 3.633 4.623) 7.573 10.385 ( 4.772 3.633 4.623) 7.573 12.107 ( -0.796 2.889 -11.796) 12.171 12.107 ( 0.796 2.889 -11.796) 12.171 12.882 ( -0.652 -1.786 -7.685) 7.917 12.882 ( 0.652 -1.786 -7.685) 7.917 13.137 ( -0.414 -0.354 -9.234) 9.250 13.137 ( 0.414 -0.354 -9.234) 9.250 14.760 ( -7.508 3.700 12.604) 15.130 14.760 ( 7.508 3.700 12.604) 15.130 15.331 ( -9.624 -2.001 5.891) 11.460 15.331 ( 9.624 -2.001 5.891) 11.460 19.469 ( -14.330 -3.901 8.216) 16.973 19.469 ( 14.330 -3.901 8.216) 16.973 20.427 ( -10.887 2.540 0.783) 11.207 20.427 ( 10.887 2.540 0.783) 11.207 ======================= Grid point 153 (56/105) ======================= q-point: ( 0.00 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.000 -2.770 20.039) 20.230 1.528 ( 0.000 2.770 20.039) 20.230 2.188 ( 0.000 -9.715 16.325) 18.997 2.188 ( 0.000 9.715 16.325) 18.997 2.879 ( 0.000 -0.540 2.340) 2.401 2.879 ( 0.000 0.540 2.340) 2.401 3.035 ( 0.000 -0.613 6.155) 6.186 3.035 ( 0.000 0.613 6.155) 6.186 3.197 ( 0.000 -5.195 8.245) 9.745 3.197 ( 0.000 5.195 8.245) 9.745 3.306 ( 0.000 -6.418 9.534) 11.493 3.306 ( 0.000 6.418 9.534) 11.493 4.551 ( 0.000 -3.752 -3.884) 5.400 4.551 ( 0.000 3.752 -3.884) 5.400 4.842 ( 0.000 -5.941 5.042) 7.792 4.842 ( 0.000 5.941 5.042) 7.792 5.315 ( 0.000 -5.865 -7.679) 9.662 5.315 ( 0.000 5.865 -7.679) 9.662 5.874 ( 0.000 -1.307 0.318) 1.345 5.874 ( 0.000 1.307 0.318) 1.345 5.988 ( 0.000 -1.578 9.389) 9.521 5.988 ( 0.000 1.578 9.389) 9.521 6.761 ( 0.000 -16.376 -0.129) 16.376 6.761 ( 0.000 16.376 -0.129) 16.376 7.304 ( 0.000 -1.711 14.519) 14.619 7.304 ( 0.000 1.711 14.519) 14.619 7.922 ( 0.000 -6.408 13.411) 14.863 7.922 ( 0.000 6.408 13.411) 14.863 8.373 ( 0.000 -12.742 32.556) 34.961 8.373 ( 0.000 12.742 32.556) 34.961 9.011 ( 0.000 -11.026 1.665) 11.151 9.011 ( 0.000 11.026 1.665) 11.151 9.456 ( 0.000 -13.029 10.451) 16.703 9.456 ( 0.000 13.029 10.451) 16.703 9.811 ( 0.000 -9.260 -9.362) 13.168 9.811 ( 0.000 9.260 -9.362) 13.168 10.245 ( 0.000 -6.699 7.987) 10.425 10.245 ( 0.000 6.699 7.987) 10.425 11.036 ( 0.000 -7.935 -6.184) 10.060 11.036 ( 0.000 7.935 -6.184) 10.060 11.717 ( 0.000 -16.478 -6.773) 17.816 11.717 ( 0.000 16.478 -6.773) 17.816 12.328 ( 0.000 -9.272 11.632) 14.875 12.328 ( 0.000 9.272 11.632) 14.875 13.000 ( 0.000 -1.095 -7.275) 7.357 13.000 ( 0.000 1.095 -7.275) 7.357 14.506 ( 0.000 -6.409 10.361) 12.183 14.506 ( 0.000 6.409 10.361) 12.183 16.626 ( 0.000 -0.945 -2.781) 2.938 16.626 ( 0.000 0.945 -2.781) 2.938 18.213 ( 0.000 -5.792 9.996) 11.553 18.213 ( 0.000 5.792 9.996) 11.553 21.142 ( 0.000 -6.179 -5.537) 8.297 21.142 ( 0.000 6.179 -5.537) 8.297 ======================= Grid point 155 (57/105) ======================= q-point: ( 0.12 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 6.821 -6.719 16.762) 19.303 1.601 ( 6.821 6.719 16.762) 19.303 2.218 ( 3.081 -8.684 13.990) 16.752 2.218 ( 3.081 8.684 13.990) 16.752 2.830 ( -3.875 -4.158 3.732) 6.800 2.830 ( -3.875 4.158 3.732) 6.800 3.032 ( -0.616 -2.192 2.043) 3.059 3.032 ( -0.616 2.192 2.043) 3.059 3.214 ( 0.995 -4.263 8.251) 9.341 3.214 ( 0.995 4.263 8.251) 9.341 3.380 ( 5.809 -4.662 8.436) 11.254 3.380 ( 5.809 4.662 8.436) 11.254 4.542 ( -0.209 -8.342 0.999) 8.404 4.542 ( -0.209 8.342 0.999) 8.404 4.976 ( 10.817 -8.813 0.198) 13.954 4.976 ( 10.817 8.813 0.198) 13.954 5.236 ( -5.729 -4.078 -4.788) 8.507 5.236 ( -5.729 4.078 -4.788) 8.507 5.895 ( 1.018 -6.845 4.508) 8.259 5.895 ( 1.018 6.845 4.508) 8.259 6.069 ( 7.790 -10.948 3.258) 13.826 6.069 ( 7.790 10.948 3.258) 13.826 6.824 ( 5.572 -16.086 0.218) 17.025 6.824 ( 5.572 16.086 0.218) 17.025 7.330 ( 0.952 -4.837 14.036) 14.876 7.330 ( 0.952 4.837 14.036) 14.876 7.720 ( -12.890 -10.195 15.041) 22.278 7.720 ( -12.890 10.195 15.041) 22.278 8.429 ( 2.919 -7.604 26.246) 27.481 8.429 ( 2.919 7.604 26.246) 27.481 9.115 ( 7.624 -6.829 7.129) 12.473 9.115 ( 7.624 6.829 7.129) 12.473 9.476 ( 1.010 -15.067 8.615) 17.385 9.476 ( 1.010 15.067 8.615) 17.385 9.811 ( -1.090 -3.995 -5.754) 7.089 9.811 ( -1.090 3.995 -5.754) 7.089 10.183 ( -4.972 -7.373 5.312) 10.359 10.183 ( -4.972 7.373 5.312) 10.359 10.801 ( -15.554 -3.639 1.188) 16.018 10.801 ( -15.554 3.639 1.188) 16.018 11.909 ( 11.685 -10.697 -9.013) 18.227 11.909 ( 11.685 10.697 -9.013) 18.227 12.378 ( 5.522 -8.454 7.308) 12.464 12.378 ( 5.522 8.454 7.308) 12.464 13.025 ( 2.155 -1.132 -7.259) 7.657 13.025 ( 2.155 1.132 -7.259) 7.657 14.544 ( 3.482 -6.830 10.264) 12.811 14.544 ( 3.482 6.830 10.264) 12.811 16.339 ( -22.671 -5.190 2.012) 23.344 16.339 ( -22.671 5.190 2.012) 23.344 18.455 ( 18.997 -11.937 7.011) 23.506 18.455 ( 18.997 11.937 7.011) 23.506 21.063 ( -7.273 -6.902 -4.275) 10.900 21.063 ( -7.273 6.902 -4.275) 10.900 ======================= Grid point 157 (58/105) ======================= q-point: ( 0.25 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 13.230 -10.066 9.116) 18.959 1.812 ( 13.230 10.066 9.116) 18.959 2.320 ( 6.441 -5.571 9.403) 12.687 2.320 ( 6.441 5.571 9.403) 12.687 2.749 ( -3.406 -5.242 3.625) 7.226 2.749 ( -3.406 5.242 3.625) 7.226 3.000 ( -2.819 -2.213 -2.658) 4.462 3.000 ( -2.819 2.213 -2.658) 4.462 3.212 ( -1.293 -2.974 7.279) 7.969 3.212 ( -1.293 2.974 7.279) 7.969 3.473 ( 1.477 -2.889 4.177) 5.289 3.473 ( 1.477 2.889 4.177) 5.289 4.548 ( 0.228 -6.376 2.957) 7.032 4.548 ( 0.228 6.376 2.957) 7.032 5.063 ( -3.707 -3.202 -1.074) 5.015 5.063 ( -3.707 3.202 -1.074) 5.015 5.284 ( 10.613 -3.157 3.313) 11.558 5.284 ( 10.613 3.157 3.313) 11.558 5.961 ( 6.510 -6.308 3.890) 9.864 5.961 ( 6.510 6.308 3.890) 9.864 6.255 ( 8.162 -7.001 -1.226) 10.823 6.255 ( 8.162 7.001 -1.226) 10.823 6.950 ( 4.510 -21.000 2.839) 21.665 6.950 ( 4.510 21.000 2.839) 21.665 7.218 ( -8.791 -16.258 11.897) 21.981 7.218 ( -8.791 16.258 11.897) 21.981 7.663 ( 7.977 -5.814 15.168) 18.097 7.663 ( 7.977 5.814 15.168) 18.097 8.461 ( -0.272 -7.614 17.759) 19.325 8.461 ( -0.272 7.614 17.759) 19.325 9.227 ( 1.004 -10.259 7.532) 12.766 9.227 ( 1.004 10.259 7.532) 12.766 9.497 ( 2.185 -12.230 13.030) 18.004 9.497 ( 2.185 12.230 13.030) 18.004 9.611 ( -18.252 -7.323 -1.267) 19.707 9.611 ( -18.252 7.323 -1.267) 19.707 10.184 ( 6.162 -6.046 6.112) 10.577 10.184 ( 6.162 6.046 6.112) 10.577 10.533 ( -9.761 -2.823 10.931) 14.924 10.533 ( -9.761 2.823 10.931) 14.924 12.075 ( 4.369 -3.916 -9.737) 11.368 12.075 ( 4.369 3.916 -9.737) 11.368 12.567 ( 11.098 -3.779 -1.977) 11.889 12.567 ( 11.098 3.779 -1.977) 11.889 13.077 ( 2.458 -0.958 -7.672) 8.113 13.077 ( 2.458 0.958 -7.672) 8.113 14.641 ( 5.404 -7.667 10.072) 13.763 14.641 ( 5.404 7.667 10.072) 13.763 15.840 ( -22.460 -9.847 6.762) 25.439 15.840 ( -22.460 9.847 6.762) 25.439 18.880 ( 19.827 -14.543 5.838) 25.272 18.880 ( 19.827 14.543 5.838) 25.272 20.855 ( -11.939 -8.275 -1.640) 14.618 20.855 ( -11.939 8.275 -1.640) 14.618 ======================= Grid point 159 (59/105) ======================= q-point: ( 0.38 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 17.120 -10.295 1.568) 20.039 2.140 ( 17.120 10.295 1.568) 20.039 2.471 ( 7.264 -2.115 5.072) 9.108 2.471 ( 7.264 2.115 5.072) 9.108 2.682 ( -3.493 -4.607 3.363) 6.689 2.682 ( -3.493 4.607 3.363) 6.689 2.882 ( -9.110 -5.735 -4.693) 11.743 2.882 ( -9.110 5.735 -4.693) 11.743 3.195 ( 1.198 -1.915 4.198) 4.767 3.195 ( 1.198 1.915 4.198) 4.767 3.426 ( -5.317 -1.655 0.650) 5.606 3.426 ( -5.317 1.655 0.650) 5.606 4.542 ( -0.514 -3.494 3.671) 5.094 4.542 ( -0.514 3.494 3.671) 5.094 4.995 ( -2.474 -1.643 2.934) 4.175 4.995 ( -2.474 1.643 2.934) 4.175 5.498 ( 9.784 -4.273 5.563) 12.039 5.498 ( 9.784 4.273 5.563) 12.039 6.096 ( 2.062 -6.950 2.654) 7.720 6.096 ( 2.062 6.950 2.654) 7.720 6.359 ( 1.930 -13.621 3.530) 14.202 6.359 ( 1.930 13.621 3.530) 14.202 6.966 ( 0.500 -15.384 4.894) 16.151 6.966 ( 0.500 15.384 4.894) 16.151 7.228 ( 9.039 -16.811 2.015) 19.193 7.228 ( 9.039 16.811 2.015) 19.193 7.879 ( 7.867 -10.435 18.742) 22.848 7.879 ( 7.867 10.435 18.742) 22.848 8.421 ( -1.368 -10.467 7.263) 12.813 8.421 ( -1.368 10.467 7.263) 12.813 9.073 ( -18.076 -14.798 2.568) 23.502 9.073 ( -18.076 14.798 2.568) 23.502 9.264 ( -6.511 -6.337 6.073) 10.929 9.264 ( -6.511 6.337 6.073) 10.929 9.606 ( 5.871 -8.307 18.718) 21.303 9.606 ( 5.871 8.307 18.718) 21.303 10.311 ( 0.777 -3.478 16.877) 17.249 10.311 ( 0.777 3.478 16.877) 17.249 10.384 ( -1.324 -6.224 11.024) 12.729 10.384 ( -1.324 6.224 11.024) 12.729 12.131 ( 1.523 -1.111 -12.805) 12.943 12.131 ( 1.523 1.111 -12.805) 12.943 12.775 ( 7.551 -1.077 -6.772) 10.200 12.775 ( 7.551 1.077 -6.772) 10.200 13.118 ( 1.339 -0.467 -8.496) 8.613 13.118 ( 1.339 0.467 -8.496) 8.613 14.753 ( 4.802 -7.103 10.379) 13.462 14.753 ( 4.802 7.103 10.379) 13.462 15.453 ( -13.584 -9.115 7.797) 18.122 15.453 ( -13.584 9.115 7.797) 18.122 19.249 ( 14.331 -11.327 7.450) 19.728 19.249 ( 14.331 11.327 7.450) 19.728 20.598 ( -11.222 -7.651 0.242) 13.584 20.598 ( -11.222 7.651 0.242) 13.584 ======================= Grid point 161 (60/105) ======================= q-point: (-0.50 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -0.000 0.000 -4.557) 4.557 2.431 ( 0.000 0.000 -4.557) 4.557 2.549 ( -0.000 -0.000 4.003) 4.003 2.549 ( 0.000 0.000 4.003) 4.003 2.622 ( 0.000 -0.000 2.516) 2.516 2.622 ( -0.000 0.000 2.516) 2.516 2.702 ( -0.000 -0.000 -0.934) 0.934 2.702 ( -0.000 0.000 -0.934) 0.934 3.263 ( 0.000 0.000 -1.220) 1.220 3.263 ( 0.000 0.000 -1.220) 1.220 3.310 ( 0.000 0.000 2.371) 2.371 3.310 ( 0.000 0.000 2.371) 2.371 4.536 ( 0.000 0.000 4.421) 4.421 4.536 ( 0.000 0.000 4.421) 4.421 4.966 ( 0.000 0.000 4.203) 4.203 4.966 ( 0.000 0.000 4.203) 4.203 5.638 ( -0.000 0.000 2.346) 2.346 5.638 ( 0.000 0.000 2.346) 2.346 6.057 ( 0.000 -0.000 10.220) 10.220 6.057 ( -0.000 0.000 10.220) 10.220 6.384 ( 0.000 -0.000 4.086) 4.086 6.384 ( 0.000 0.000 4.086) 4.086 6.986 ( 0.000 0.000 -0.622) 0.622 6.986 ( 0.000 0.000 -0.622) 0.622 7.410 ( 0.000 0.000 -2.583) 2.583 7.410 ( 0.000 0.000 -2.583) 2.583 7.889 ( 0.000 0.000 23.329) 23.329 7.889 ( 0.000 0.000 23.329) 23.329 8.493 ( 0.000 0.000 6.743) 6.743 8.493 ( 0.000 0.000 6.743) 6.743 8.773 ( 0.000 -0.000 -1.430) 1.430 8.773 ( -0.000 0.000 -1.430) 1.430 9.213 ( 0.000 0.000 9.641) 9.641 9.213 ( 0.000 0.000 9.641) 9.641 9.683 ( 0.000 0.000 20.174) 20.174 9.683 ( 0.000 0.000 20.174) 20.174 10.260 ( 0.000 -0.000 18.365) 18.365 10.260 ( 0.000 0.000 18.365) 18.365 10.422 ( 0.000 0.000 13.375) 13.375 10.422 ( 0.000 0.000 13.375) 13.375 12.147 ( 0.000 0.000 -14.444) 14.444 12.147 ( 0.000 0.000 -14.444) 14.444 12.857 ( 0.000 -0.000 -8.011) 8.011 12.857 ( 0.000 0.000 -8.011) 8.011 13.132 ( 0.000 0.000 -8.959) 8.959 13.132 ( 0.000 0.000 -8.959) 8.959 14.813 ( -0.000 -0.000 11.104) 11.104 14.813 ( 0.000 0.000 11.104) 11.104 15.302 ( 0.000 0.000 7.168) 7.168 15.302 ( 0.000 0.000 7.168) 7.168 19.418 ( 0.000 0.000 8.859) 8.859 19.418 ( 0.000 0.000 8.859) 8.859 20.460 ( -0.000 0.000 0.485) 0.485 20.460 ( 0.000 0.000 0.485) 0.485 ======================= Grid point 180 (61/105) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 0.000 2.873) 2.873 2.301 ( 0.000 0.000 14.757) 14.757 2.305 ( 0.000 0.000 19.753) 19.753 2.742 ( 0.000 0.000 9.047) 9.047 2.836 ( 0.000 0.000 -1.936) 1.936 2.847 ( 0.000 0.000 6.305) 6.305 3.136 ( 0.000 0.000 6.901) 6.901 3.226 ( 0.000 0.000 2.618) 2.618 3.270 ( 0.000 0.000 5.917) 5.917 3.296 ( 0.000 0.000 5.492) 5.492 3.367 ( 0.000 0.000 28.738) 28.738 3.459 ( 0.000 0.000 8.975) 8.975 4.296 ( 0.000 0.000 -1.045) 1.045 4.338 ( 0.000 0.000 -7.506) 7.506 4.790 ( 0.000 0.000 2.745) 2.745 5.162 ( 0.000 0.000 -0.732) 0.732 5.302 ( 0.000 0.000 -13.164) 13.164 5.401 ( 0.000 0.000 -5.093) 5.093 5.421 ( 0.000 0.000 -0.634) 0.634 5.854 ( 0.000 0.000 -20.314) 20.314 6.219 ( 0.000 0.000 11.707) 11.707 6.270 ( 0.000 0.000 10.235) 10.235 6.606 ( 0.000 0.000 9.960) 9.960 7.286 ( 0.000 0.000 4.250) 4.250 7.520 ( 0.000 0.000 16.902) 16.902 7.556 ( 0.000 0.000 -4.232) 4.232 7.872 ( 0.000 0.000 24.698) 24.698 8.207 ( 0.000 0.000 9.965) 9.965 8.677 ( 0.000 0.000 -3.453) 3.453 8.788 ( 0.000 0.000 8.158) 8.158 8.993 ( 0.000 0.000 36.860) 36.860 9.495 ( 0.000 0.000 -2.771) 2.771 9.514 ( 0.000 0.000 26.475) 26.475 9.531 ( 0.000 0.000 10.928) 10.928 10.001 ( 0.000 0.000 7.024) 7.024 10.055 ( 0.000 0.000 6.206) 6.206 10.286 ( 0.000 0.000 -1.971) 1.971 10.300 ( 0.000 0.000 -9.392) 9.392 10.663 ( 0.000 0.000 -13.105) 13.105 11.054 ( 0.000 0.000 5.207) 5.207 11.074 ( 0.000 0.000 -7.679) 7.679 12.265 ( 0.000 0.000 8.994) 8.994 12.438 ( 0.000 0.000 -2.452) 2.452 12.728 ( 0.000 0.000 36.723) 36.723 12.791 ( 0.000 0.000 -9.177) 9.177 12.894 ( 0.000 0.000 -5.970) 5.970 14.493 ( 0.000 0.000 3.266) 3.266 14.840 ( 0.000 0.000 4.019) 4.019 16.549 ( 0.000 0.000 -2.873) 2.873 16.597 ( 0.000 0.000 -2.741) 2.741 18.255 ( 0.000 0.000 -15.454) 15.454 18.449 ( 0.000 0.000 14.030) 14.030 20.912 ( 0.000 0.000 2.794) 2.794 21.136 ( 0.000 0.000 -6.294) 6.294 ======================= Grid point 181 (62/105) ======================= q-point: ( 0.12 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 9.220 0.000 1.833) 9.401 2.194 ( -8.069 0.000 17.230) 19.025 2.362 ( 5.188 0.000 18.159) 18.885 2.679 ( -4.615 0.000 7.749) 9.019 2.776 ( -5.271 0.000 5.081) 7.321 2.814 ( -2.287 0.000 -1.829) 2.928 3.106 ( -3.972 0.000 5.067) 6.438 3.232 ( 1.201 0.000 2.361) 2.649 3.268 ( -2.235 0.000 5.697) 6.120 3.321 ( 2.740 0.000 4.908) 5.621 3.425 ( 3.507 0.000 19.670) 19.981 3.446 ( -1.587 0.000 8.640) 8.785 4.343 ( 3.663 0.000 -1.560) 3.981 4.511 ( 14.287 0.000 -8.380) 16.563 4.877 ( 8.831 0.000 5.671) 10.495 5.055 ( -10.924 0.000 -15.489) 18.954 5.200 ( 2.223 0.000 -2.790) 3.568 5.572 ( 14.713 0.000 3.474) 15.117 5.609 ( 7.589 0.000 4.941) 9.056 5.898 ( 3.644 0.000 -16.694) 17.087 6.086 ( -8.695 0.000 8.640) 12.258 6.261 ( -0.346 0.000 9.736) 9.742 6.540 ( -5.738 0.000 6.204) 8.450 7.346 ( -13.714 0.000 15.160) 20.443 7.408 ( 10.176 0.000 6.305) 11.971 7.552 ( 0.899 0.000 -1.193) 1.494 7.951 ( 5.103 0.000 15.612) 16.425 8.385 ( 11.716 0.000 13.724) 18.045 8.678 ( -0.473 0.000 2.997) 3.034 8.864 ( 6.751 0.000 4.931) 8.360 8.953 ( -4.345 0.000 27.332) 27.675 9.298 ( -11.089 0.000 -0.857) 11.122 9.458 ( -5.750 0.000 18.344) 19.224 9.545 ( 0.332 0.000 14.952) 14.955 9.956 ( -2.334 0.000 11.485) 11.720 10.188 ( 9.499 0.000 5.658) 11.057 10.218 ( -11.674 0.000 -2.985) 12.050 10.300 ( 2.139 0.000 -7.840) 8.127 10.628 ( 3.637 0.000 1.350) 3.879 10.973 ( -7.258 0.000 8.154) 10.916 11.275 ( 13.104 0.000 -12.191) 17.898 12.282 ( 0.527 0.000 8.738) 8.754 12.471 ( 3.167 0.000 -4.307) 5.346 12.672 ( -2.263 0.000 22.134) 22.250 12.815 ( 2.111 0.000 -9.150) 9.391 12.963 ( 4.229 0.000 2.548) 4.938 14.519 ( 2.513 0.000 3.320) 4.164 14.891 ( 4.628 0.000 3.646) 5.891 16.200 ( -26.829 0.000 0.152) 26.829 16.429 ( -14.966 0.000 -0.949) 14.996 18.355 ( 13.162 0.000 -0.827) 13.188 18.849 ( 27.756 0.000 -1.306) 27.787 20.793 ( -10.535 0.000 2.490) 10.825 21.108 ( -3.274 0.000 -4.281) 5.390 ======================= Grid point 182 (63/105) ======================= q-point: ( 0.25 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -2.954 0.000 17.492) 17.740 2.197 ( 13.368 0.000 -2.780) 13.654 2.503 ( 7.407 0.000 13.590) 15.478 2.600 ( -2.084 0.000 4.932) 5.354 2.670 ( -4.425 0.000 2.541) 5.103 2.740 ( -4.473 0.000 -3.325) 5.573 3.007 ( -4.291 0.000 1.454) 4.530 3.195 ( -4.561 0.000 6.057) 7.582 3.235 ( -1.861 0.000 1.734) 2.544 3.334 ( -2.144 0.000 2.720) 3.463 3.379 ( -4.561 0.000 8.349) 9.514 3.444 ( -2.148 0.000 7.362) 7.669 4.401 ( 1.238 0.000 -3.038) 3.281 4.713 ( 1.516 0.000 -4.789) 5.023 4.958 ( 2.402 0.000 -12.740) 12.964 5.230 ( 15.065 0.000 -2.638) 15.294 5.264 ( 12.599 0.000 8.001) 14.925 5.662 ( -1.430 0.000 16.522) 16.584 5.781 ( -2.086 0.000 1.923) 2.837 5.993 ( 10.048 0.000 -4.635) 11.065 6.218 ( 24.481 0.000 4.177) 24.835 6.281 ( 2.335 0.000 8.412) 8.731 6.381 ( -9.296 0.000 2.097) 9.530 7.028 ( -14.763 0.000 10.391) 18.053 7.617 ( 4.783 0.000 -1.132) 4.915 7.680 ( 15.044 0.000 9.587) 17.839 7.992 ( -2.860 0.000 2.208) 3.613 8.434 ( -8.364 0.000 11.745) 14.418 8.593 ( -10.417 0.000 15.885) 18.997 8.799 ( -9.047 0.000 12.335) 15.297 9.028 ( 4.991 0.000 6.602) 8.277 9.267 ( -10.570 0.000 0.797) 10.600 9.294 ( 14.057 0.000 1.427) 14.129 9.566 ( 1.033 0.000 19.194) 19.222 9.945 ( -0.010 0.000 18.401) 18.401 10.101 ( 5.413 0.000 12.273) 13.414 10.204 ( -2.957 0.000 -5.991) 6.681 10.464 ( 7.076 0.000 5.536) 8.984 10.691 ( 0.042 0.000 10.138) 10.138 10.779 ( -10.026 0.000 16.791) 19.557 11.535 ( 11.399 0.000 -13.103) 17.367 12.235 ( -5.022 0.000 8.917) 10.234 12.566 ( 5.602 0.000 -7.083) 9.031 12.698 ( 4.210 0.000 7.243) 8.378 12.870 ( 2.849 0.000 -9.158) 9.591 13.025 ( 1.265 0.000 1.908) 2.289 14.596 ( 4.707 0.000 3.466) 5.845 15.024 ( 7.744 0.000 2.804) 8.236 15.619 ( -25.683 0.000 4.884) 26.143 16.064 ( -18.202 0.000 0.754) 18.218 18.736 ( 21.154 0.000 3.778) 21.488 19.439 ( 27.024 0.000 -3.955) 27.312 20.501 ( -16.718 0.000 3.825) 17.150 20.983 ( -8.697 0.000 -1.642) 8.851 ======================= Grid point 183 (64/105) ======================= q-point: ( 0.38 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 6.517 0.000 8.905) 11.035 2.465 ( 9.624 0.000 -3.782) 10.341 2.525 ( -8.829 0.000 -3.703) 9.574 2.608 ( -0.994 0.000 -0.496) 1.111 2.621 ( 5.405 0.000 -0.548) 5.432 2.733 ( 5.943 0.000 6.575) 8.863 2.946 ( -1.634 0.000 -1.803) 2.433 3.080 ( -6.296 0.000 7.107) 9.495 3.151 ( -5.016 0.000 2.876) 5.782 3.235 ( -6.479 0.000 1.161) 6.583 3.289 ( -3.105 0.000 8.105) 8.679 3.360 ( -4.827 0.000 3.703) 6.084 4.425 ( 2.090 0.000 -2.975) 3.636 4.639 ( -6.439 0.000 -1.303) 6.569 5.098 ( 8.594 0.000 -7.847) 11.638 5.293 ( 0.350 0.000 1.924) 1.955 5.625 ( 7.469 0.000 4.926) 8.947 5.626 ( -0.377 0.000 19.422) 19.425 5.811 ( 4.810 0.000 -0.717) 4.863 6.155 ( -11.361 0.000 -2.683) 11.674 6.306 ( 19.589 0.000 1.554) 19.650 6.354 ( 3.984 0.000 9.641) 10.432 6.720 ( 5.748 0.000 2.129) 6.130 6.947 ( 24.714 0.000 12.339) 27.623 7.637 ( -11.705 0.000 -3.785) 12.302 7.850 ( -3.348 0.000 2.280) 4.051 8.017 ( 16.521 0.000 7.440) 18.119 8.190 ( -11.943 0.000 5.936) 13.337 8.207 ( -23.491 0.000 16.666) 28.802 8.622 ( -9.487 0.000 -1.456) 9.598 9.055 ( -6.956 0.000 8.248) 10.790 9.061 ( -0.910 0.000 10.271) 10.311 9.659 ( 7.884 0.000 14.843) 16.807 9.682 ( 17.368 0.000 6.648) 18.597 10.040 ( 7.336 0.000 23.357) 24.482 10.135 ( -2.481 0.000 -6.341) 6.809 10.264 ( 6.535 0.000 9.729) 11.720 10.445 ( -9.016 0.000 8.690) 12.522 10.624 ( -4.895 0.000 18.706) 19.335 10.655 ( -1.285 0.000 27.035) 27.066 11.754 ( 9.471 0.000 -10.099) 13.845 12.100 ( -7.309 0.000 3.462) 8.087 12.692 ( 5.917 0.000 -6.960) 9.135 12.788 ( 3.008 0.000 -0.527) 3.054 12.927 ( 2.438 0.000 -8.963) 9.289 13.016 ( -1.751 0.000 -2.914) 3.399 14.716 ( 6.812 0.000 3.931) 7.865 15.171 ( -16.878 0.000 6.075) 17.938 15.205 ( 9.405 0.000 2.128) 9.642 15.705 ( -15.424 0.000 1.715) 15.519 19.200 ( 22.471 0.000 6.100) 23.284 19.964 ( 22.885 0.000 -2.076) 22.979 20.110 ( -20.116 0.000 5.848) 20.949 20.744 ( -13.967 0.000 -0.058) 13.967 ======================= Grid point 184 (65/105) ======================= q-point: (-0.50 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -11.767 0.000 -0.717) 11.789 2.293 ( 11.767 0.000 -0.717) 11.789 2.570 ( -2.580 0.000 -1.803) 3.148 2.570 ( 2.580 0.000 -1.803) 3.148 2.794 ( -5.776 0.000 -6.180) 8.459 2.794 ( 5.776 0.000 -6.180) 8.459 2.947 ( -4.775 0.000 7.085) 8.544 2.947 ( 4.775 0.000 7.085) 8.544 3.116 ( -3.154 0.000 3.460) 4.682 3.116 ( 3.154 0.000 3.460) 4.682 3.277 ( -2.196 0.000 5.950) 6.342 3.277 ( 2.196 0.000 5.950) 6.342 4.505 ( -5.457 0.000 -1.709) 5.718 4.505 ( 5.457 0.000 -1.709) 5.718 5.246 ( -4.754 0.000 -1.388) 4.952 5.246 ( 4.754 0.000 -1.388) 4.952 5.664 ( -2.495 0.000 14.497) 14.710 5.664 ( 2.495 0.000 14.497) 14.710 5.933 ( -8.703 0.000 -3.633) 9.430 5.933 ( 8.703 0.000 -3.633) 9.430 6.437 ( -3.248 0.000 5.871) 6.709 6.437 ( 3.248 0.000 5.871) 6.709 7.124 ( -29.790 0.000 -0.649) 29.797 7.124 ( 29.790 0.000 -0.649) 29.797 7.590 ( -29.311 0.000 13.663) 32.339 7.590 ( 29.311 0.000 13.663) 32.339 7.983 ( -6.710 0.000 4.101) 7.864 7.983 ( 6.710 0.000 4.101) 7.864 8.357 ( -15.107 0.000 -0.977) 15.138 8.357 ( 15.107 0.000 -0.977) 15.138 9.019 ( -1.913 0.000 12.318) 12.466 9.019 ( 1.913 0.000 12.318) 12.466 9.820 ( -4.709 0.000 11.853) 12.754 9.820 ( 4.709 0.000 11.853) 12.754 10.186 ( -0.462 0.000 1.319) 1.397 10.186 ( 0.462 0.000 1.319) 1.397 10.260 ( -1.275 0.000 12.968) 13.031 10.260 ( 1.275 0.000 12.968) 13.031 10.608 ( -3.123 0.000 28.553) 28.723 10.608 ( 3.123 0.000 28.553) 28.723 11.938 ( -8.132 0.000 -4.137) 9.124 11.938 ( 8.132 0.000 -4.137) 9.124 12.791 ( -2.809 0.000 -4.101) 4.970 12.791 ( 2.809 0.000 -4.101) 4.970 12.972 ( -2.082 0.000 -7.498) 7.781 12.972 ( 2.082 0.000 -7.498) 7.781 14.892 ( -10.276 0.000 5.009) 11.432 14.892 ( 10.276 0.000 5.009) 11.432 15.423 ( -11.573 0.000 1.961) 11.738 15.423 ( 11.573 0.000 1.961) 11.738 19.667 ( -21.812 0.000 6.849) 22.862 19.667 ( 21.812 0.000 6.849) 22.862 20.401 ( -18.627 0.000 -0.218) 18.628 20.401 ( 18.627 0.000 -0.218) 18.628 ======================= Grid point 189 (66/105) ======================= q-point: ( 0.00 0.25 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.000 1.285 9.036) 9.127 2.138 ( 0.000 -12.115 22.724) 25.751 2.351 ( 0.000 4.305 14.221) 14.858 2.617 ( 0.000 -7.344 9.571) 12.063 2.833 ( 0.000 1.769 -0.529) 1.846 2.941 ( 0.000 4.072 5.971) 7.227 3.153 ( 0.000 0.331 5.463) 5.473 3.215 ( 0.000 -6.163 5.006) 7.940 3.235 ( 0.000 2.310 4.317) 4.896 3.356 ( 0.000 5.973 4.346) 7.387 3.431 ( 0.000 -0.753 11.191) 11.216 3.451 ( 0.000 2.088 14.960) 15.105 4.385 ( 0.000 7.159 0.510) 7.177 4.413 ( 0.000 5.762 -5.980) 8.304 4.843 ( 0.000 4.553 1.060) 4.675 5.043 ( 0.000 -7.707 -0.585) 7.730 5.144 ( 0.000 -7.169 -7.429) 10.324 5.238 ( 0.000 -9.093 -12.040) 15.088 5.634 ( 0.000 12.327 -4.040) 12.972 6.079 ( 0.000 -9.179 8.631) 12.599 6.164 ( 0.000 11.901 -0.966) 11.940 6.284 ( 0.000 8.614 1.494) 8.742 6.433 ( 0.000 -13.235 11.205) 17.341 7.129 ( 0.000 -14.052 2.160) 14.217 7.551 ( 0.000 3.059 15.489) 15.788 7.757 ( 0.000 15.884 1.313) 15.938 7.776 ( 0.000 -6.701 22.901) 23.861 8.259 ( 0.000 -0.275 12.512) 12.515 8.682 ( 0.000 6.300 -5.421) 8.311 8.989 ( 0.000 -0.652 31.301) 31.308 9.057 ( 0.000 18.666 8.144) 20.365 9.300 ( 0.000 -10.604 4.636) 11.573 9.360 ( 0.000 -10.622 21.986) 24.418 9.671 ( 0.000 6.443 6.415) 9.092 9.917 ( 0.000 -4.388 10.967) 11.812 9.982 ( 0.000 -19.404 -5.181) 20.084 10.214 ( 0.000 8.674 4.717) 9.874 10.370 ( 0.000 1.485 -0.220) 1.501 10.771 ( 0.000 6.643 -9.216) 11.361 11.027 ( 0.000 -4.184 -7.413) 8.512 11.224 ( 0.000 14.680 -0.766) 14.700 12.003 ( 0.000 -17.593 -0.199) 17.594 12.564 ( 0.000 5.501 8.303) 9.960 12.690 ( 0.000 -2.295 23.199) 23.312 12.837 ( 0.000 2.829 0.777) 2.934 12.897 ( 0.000 0.095 -4.727) 4.728 14.530 ( 0.000 3.547 3.380) 4.899 14.775 ( 0.000 -5.596 3.929) 6.838 16.554 ( 0.000 0.510 -2.867) 2.912 16.589 ( 0.000 -0.725 -2.824) 2.915 18.270 ( 0.000 1.679 -9.287) 9.437 18.411 ( 0.000 -3.278 10.979) 11.458 20.962 ( 0.000 4.106 0.267) 4.115 21.117 ( 0.000 -1.878 -5.741) 6.040 ======================= Grid point 190 (67/105) ======================= q-point: ( 0.12 0.25 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 6.962 -0.796 7.951) 10.598 2.100 ( -3.488 -8.111 21.496) 23.238 2.371 ( 2.825 2.332 13.579) 14.065 2.574 ( -3.082 -5.970 7.984) 10.435 2.810 ( -2.720 2.118 0.513) 3.485 2.887 ( -3.964 4.715 3.856) 7.267 3.099 ( -4.677 -0.932 4.183) 6.344 3.182 ( -2.912 -6.564 4.738) 8.603 3.259 ( 1.446 3.029 4.612) 5.704 3.396 ( 2.355 5.094 3.237) 6.479 3.436 ( -0.402 -1.345 7.448) 7.580 3.492 ( 2.780 3.577 13.135) 13.894 4.399 ( 1.536 5.318 -0.446) 5.553 4.559 ( 11.611 2.953 -6.329) 13.550 4.924 ( 7.591 3.666 4.087) 9.369 5.018 ( -3.188 -1.406 -12.350) 12.832 5.175 ( -2.095 -4.744 -3.514) 6.265 5.267 ( 11.365 -11.636 2.911) 16.523 5.729 ( 6.778 4.110 -9.054) 12.033 5.991 ( -5.671 -5.941 5.126) 9.682 6.143 ( -0.342 9.726 5.643) 11.250 6.287 ( 0.505 3.382 6.234) 7.110 6.552 ( 7.668 2.734 4.723) 9.412 7.234 ( 7.806 -14.178 5.921) 17.234 7.447 ( -11.907 9.938 16.532) 22.669 7.613 ( -2.501 5.950 0.094) 6.455 7.833 ( 4.216 -7.884 17.049) 19.251 8.268 ( -5.713 -14.290 12.568) 19.870 8.761 ( 5.171 8.581 -4.625) 11.034 8.932 ( -4.981 -0.982 22.724) 23.285 9.064 ( 0.803 14.046 12.345) 18.718 9.263 ( 4.908 0.808 10.224) 11.370 9.471 ( 4.959 -0.887 14.170) 15.039 9.650 ( -5.129 6.990 7.164) 11.247 9.929 ( -0.404 -5.640 11.505) 12.820 9.976 ( -2.899 -11.374 -0.764) 11.762 10.184 ( 4.784 -0.748 3.742) 6.119 10.309 ( -7.194 -2.456 -2.898) 8.135 10.731 ( 0.268 7.061 1.711) 7.270 10.940 ( -6.177 -2.647 6.085) 9.066 11.411 ( 11.813 11.579 -11.058) 19.898 12.063 ( 4.426 -15.214 -2.444) 16.032 12.568 ( 0.425 4.360 7.831) 8.973 12.657 ( -1.451 -1.168 18.684) 18.777 12.843 ( 1.530 2.596 -6.707) 7.353 12.954 ( 3.396 -1.105 1.410) 3.840 14.560 ( 2.792 3.810 3.371) 5.803 14.818 ( 3.942 -6.066 3.620) 8.089 16.252 ( -23.520 4.264 -0.206) 23.904 16.411 ( -15.610 -1.825 -0.981) 15.747 18.401 ( 14.169 4.429 0.380) 14.850 18.743 ( 23.950 -8.689 0.738) 25.489 20.866 ( -8.544 5.872 0.142) 10.369 21.081 ( -3.842 -2.626 -4.085) 6.192 ======================= Grid point 191 (68/105) ======================= q-point: ( 0.25 0.25 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -0.167 -1.040 17.495) 17.527 2.125 ( 10.586 -5.423 3.243) 12.329 2.474 ( 6.222 -1.542 10.653) 12.433 2.529 ( -0.528 -3.355 4.646) 5.755 2.727 ( -4.094 2.959 2.911) 5.830 2.798 ( -4.875 4.230 -2.092) 6.785 2.996 ( -4.423 -1.191 0.374) 4.596 3.094 ( -5.486 -7.475 5.303) 10.681 3.257 ( -2.046 2.917 4.507) 5.745 3.380 ( -3.563 0.305 5.654) 6.690 3.424 ( -1.463 5.143 2.104) 5.747 3.502 ( -2.347 3.518 5.064) 6.597 4.435 ( 1.468 3.884 -1.966) 4.594 4.712 ( 0.708 -1.974 -2.169) 3.017 4.969 ( 1.252 1.194 -7.772) 7.962 5.143 ( 4.314 -6.417 -0.949) 7.790 5.294 ( 18.760 2.766 6.967) 20.202 5.504 ( 8.571 -7.984 7.527) 13.924 5.845 ( 3.262 0.219 -7.000) 7.726 5.932 ( 2.562 -2.244 -2.123) 4.013 6.259 ( 6.578 4.989 5.303) 9.813 6.324 ( 8.625 1.629 8.915) 12.511 6.631 ( -0.055 18.226 6.171) 19.242 7.156 ( -11.998 11.421 11.371) 20.092 7.415 ( 8.560 -14.406 6.051) 17.817 7.703 ( 7.035 1.322 4.996) 8.729 7.947 ( 5.939 -5.374 3.580) 8.773 8.035 ( -12.441 -22.649 13.209) 29.021 8.735 ( -6.854 0.820 14.664) 16.208 8.837 ( -4.219 -1.525 -0.356) 4.500 9.045 ( -5.864 11.151 14.818) 19.450 9.360 ( -11.776 8.562 -1.090) 14.601 9.485 ( 5.743 9.356 5.280) 12.182 9.590 ( 3.330 -0.988 14.993) 15.390 9.896 ( 3.233 -2.108 14.809) 15.304 10.012 ( 6.104 -6.174 16.644) 18.773 10.142 ( -3.692 -3.162 -2.322) 5.387 10.413 ( 10.046 -4.949 5.837) 12.628 10.737 ( -1.612 3.433 13.797) 14.309 10.809 ( -5.405 1.069 13.722) 14.786 11.627 ( 8.519 8.446 -13.505) 18.064 12.115 ( -0.671 -10.082 -1.547) 10.222 12.595 ( 3.008 2.170 3.509) 5.106 12.686 ( 3.737 -1.283 6.737) 7.810 12.889 ( 2.412 1.912 -8.303) 8.855 13.003 ( 1.023 -2.014 -0.008) 2.259 14.643 ( 4.898 4.250 3.362) 7.305 14.927 ( 5.973 -7.370 2.975) 9.942 15.737 ( -22.816 8.970 3.779) 24.806 16.033 ( -18.671 -3.117 0.999) 18.956 18.789 ( 20.996 5.309 3.960) 22.016 19.261 ( 23.550 -13.756 -0.292) 27.275 20.631 ( -13.037 9.729 1.021) 16.299 20.947 ( -8.951 -3.568 -1.705) 9.786 ======================= Grid point 192 (69/105) ======================= q-point: ( 0.38 0.25 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 7.487 2.449 7.633) 10.969 2.349 ( 8.490 -8.046 -2.325) 11.926 2.532 ( 0.893 0.422 0.636) 1.174 2.600 ( 2.370 -0.805 3.096) 3.981 2.670 ( -1.031 1.872 3.473) 4.078 2.702 ( -0.927 0.598 -1.374) 1.762 2.908 ( -4.802 -3.791 -2.883) 6.763 2.962 ( -6.563 -8.186 6.826) 12.517 3.193 ( -2.597 4.288 4.447) 6.701 3.291 ( -4.347 2.029 3.106) 5.714 3.358 ( -3.822 5.083 2.811) 6.953 3.414 ( -5.050 3.375 2.891) 6.727 4.471 ( 2.466 4.334 -1.184) 5.125 4.652 ( -4.854 0.331 0.286) 4.874 5.047 ( 4.743 -3.829 -3.689) 7.125 5.174 ( -0.505 -8.553 3.280) 9.174 5.601 ( 7.141 1.294 13.844) 15.631 5.653 ( 6.498 0.295 3.266) 7.279 5.933 ( 4.393 5.414 -4.314) 8.198 6.152 ( 17.052 -5.225 1.026) 17.864 6.200 ( -7.994 5.966 1.217) 10.049 6.529 ( 1.962 4.625 7.285) 8.849 6.762 ( 10.113 6.647 2.665) 12.392 7.086 ( 12.707 11.843 11.777) 20.986 7.439 ( -11.182 -17.307 -1.642) 20.670 7.750 ( -4.965 -14.959 14.315) 21.292 7.919 ( 7.867 3.779 2.917) 9.202 8.105 ( 6.440 3.609 3.745) 8.278 8.549 ( -12.063 -2.728 5.821) 13.669 8.662 ( -18.036 19.379 3.621) 26.720 8.824 ( -0.708 -13.387 4.806) 14.241 9.194 ( -8.043 4.130 5.705) 10.691 9.482 ( 2.811 -3.353 15.357) 15.969 9.678 ( -1.132 -12.993 8.904) 15.791 10.031 ( 6.213 -1.291 24.845) 25.643 10.142 ( 4.349 -7.033 15.775) 17.810 10.230 ( 11.705 12.993 -1.586) 17.560 10.541 ( 1.531 2.846 11.641) 12.081 10.679 ( -2.661 3.244 22.258) 22.650 10.714 ( -3.900 4.054 16.458) 17.392 11.782 ( 6.631 3.167 -11.385) 13.551 12.044 ( -5.282 -5.229 -1.698) 7.623 12.690 ( 5.108 0.292 -3.038) 5.950 12.767 ( 2.883 -1.913 0.258) 3.470 12.935 ( 1.840 0.840 -8.722) 8.954 12.999 ( -1.205 -1.511 -4.383) 4.790 14.763 ( 6.580 4.205 3.615) 8.605 15.026 ( 1.073 -7.111 3.191) 7.868 15.377 ( -8.849 9.209 4.241) 13.457 15.671 ( -15.155 -3.333 2.082) 15.656 19.237 ( 20.847 3.863 6.298) 22.117 19.666 ( 12.178 -15.809 3.780) 20.311 20.375 ( -8.424 13.071 0.685) 15.566 20.712 ( -13.037 -3.205 -0.243) 13.427 ======================= Grid point 193 (70/105) ======================= q-point: (-0.50 0.25 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -9.673 1.514 -2.548) 10.117 2.314 ( 9.673 1.514 -2.548) 10.117 2.580 ( -2.875 1.273 -0.120) 3.146 2.580 ( 2.875 1.273 -0.120) 3.146 2.724 ( -5.126 -4.172 -2.312) 7.002 2.724 ( 5.126 -4.172 -2.312) 7.002 2.840 ( -3.590 -7.589 6.739) 10.766 2.840 ( 3.590 -7.589 6.739) 10.766 3.202 ( -3.420 5.171 1.227) 6.320 3.202 ( 3.420 5.171 1.227) 6.320 3.331 ( -1.912 3.314 4.946) 6.253 3.331 ( 1.912 3.314 4.946) 6.253 4.547 ( -4.650 3.451 0.026) 5.791 4.547 ( 4.650 3.451 0.026) 5.791 5.133 ( -3.191 -8.006 1.224) 8.705 5.133 ( 3.191 -8.006 1.224) 8.705 5.709 ( -2.206 2.547 9.268) 9.861 5.709 ( 2.206 2.547 9.268) 9.861 6.024 ( -6.364 7.423 -0.108) 9.778 6.024 ( 6.364 7.423 -0.108) 9.778 6.445 ( -9.193 -0.061 3.351) 9.785 6.445 ( 9.193 -0.061 3.351) 9.785 7.068 ( -19.984 -4.262 -0.538) 20.440 7.068 ( 19.984 -4.262 -0.538) 20.440 7.509 ( -18.850 -3.786 10.589) 21.950 7.509 ( 18.850 -3.786 10.589) 21.950 8.158 ( -14.214 6.612 7.799) 17.510 8.158 ( 14.214 6.612 7.799) 17.510 8.345 ( -10.763 5.764 -1.954) 12.365 8.345 ( 10.763 5.764 -1.954) 12.365 8.980 ( -11.114 -6.615 7.465) 14.933 8.980 ( 11.114 -6.615 7.465) 14.933 9.590 ( -5.814 -11.032 13.187) 18.150 9.590 ( 5.814 -11.032 13.187) 18.150 10.146 ( -3.735 -4.159 19.240) 20.035 10.146 ( 3.735 -4.159 19.240) 20.035 10.466 ( -8.898 11.705 4.616) 15.411 10.466 ( 8.898 11.705 4.616) 15.411 10.659 ( -2.204 3.804 24.668) 25.057 10.659 ( 2.204 3.804 24.668) 25.057 11.918 ( -6.371 -1.554 -6.616) 9.315 11.918 ( 6.371 -1.554 -6.616) 9.315 12.775 ( -2.266 -1.192 -2.944) 3.902 12.775 ( 2.266 -1.192 -2.944) 3.902 12.968 ( -1.467 -0.312 -7.908) 8.049 12.968 ( 1.467 -0.312 -7.908) 8.049 14.920 ( -8.071 2.109 4.162) 9.323 14.920 ( 8.071 2.109 4.162) 9.323 15.413 ( -8.941 -0.789 2.516) 9.322 15.413 ( 8.941 -0.789 2.516) 9.322 19.625 ( -14.157 -3.005 7.439) 16.272 19.625 ( 14.157 -3.005 7.439) 16.272 20.431 ( -11.902 2.109 -0.520) 12.099 20.431 ( 11.902 2.109 -0.520) 12.099 ======================= Grid point 198 (71/105) ======================= q-point: ( 0.00 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.000 -6.733 19.539) 20.667 1.923 ( 0.000 6.733 19.539) 20.667 2.468 ( 0.000 -6.464 12.204) 13.810 2.468 ( 0.000 6.464 12.204) 13.810 2.932 ( 0.000 -5.430 3.036) 6.221 2.932 ( 0.000 5.430 3.036) 6.221 3.136 ( 0.000 -0.280 4.444) 4.453 3.136 ( 0.000 0.280 4.444) 4.453 3.336 ( 0.000 -5.940 5.517) 8.107 3.336 ( 0.000 5.940 5.517) 8.107 3.459 ( 0.000 -2.791 6.875) 7.420 3.459 ( 0.000 2.791 6.875) 7.420 4.493 ( 0.000 -0.507 -2.491) 2.542 4.493 ( 0.000 0.507 -2.491) 2.542 4.939 ( 0.000 -3.313 1.690) 3.719 4.939 ( 0.000 3.313 1.690) 3.719 5.086 ( 0.000 -3.259 -9.928) 10.449 5.086 ( 0.000 3.259 -9.928) 10.449 5.876 ( 0.000 -10.008 -0.474) 10.019 5.876 ( 0.000 10.008 -0.474) 10.019 6.209 ( 0.000 -4.825 12.746) 13.629 6.209 ( 0.000 4.825 12.746) 13.629 6.732 ( 0.000 -22.275 -2.266) 22.390 6.732 ( 0.000 22.275 -2.266) 22.390 7.642 ( 0.000 -5.443 18.605) 19.385 7.642 ( 0.000 5.443 18.605) 19.385 8.101 ( 0.000 -13.777 7.566) 15.718 8.101 ( 0.000 13.777 7.566) 15.718 8.896 ( 0.000 -10.025 3.040) 10.476 8.896 ( 0.000 10.025 3.040) 10.476 9.174 ( 0.000 -2.144 26.195) 26.282 9.174 ( 0.000 2.144 26.195) 26.282 9.522 ( 0.000 -21.868 -3.978) 22.227 9.522 ( 0.000 21.868 -3.978) 22.227 9.810 ( 0.000 -5.590 11.444) 12.736 9.810 ( 0.000 5.590 11.444) 12.736 10.352 ( 0.000 -3.710 3.166) 4.877 10.352 ( 0.000 3.710 3.166) 4.877 10.910 ( 0.000 -6.380 -7.120) 9.560 10.910 ( 0.000 6.380 -7.120) 9.560 11.600 ( 0.000 -19.351 -3.652) 19.692 11.600 ( 0.000 19.351 -3.652) 19.692 12.642 ( 0.000 -2.453 15.774) 15.963 12.642 ( 0.000 2.453 15.774) 15.963 12.885 ( 0.000 -1.441 -0.940) 1.720 12.885 ( 0.000 1.441 -0.940) 1.720 14.639 ( 0.000 -6.361 3.663) 7.340 14.639 ( 0.000 6.361 3.663) 7.340 16.570 ( 0.000 -0.931 -2.879) 3.026 16.570 ( 0.000 0.931 -2.879) 3.026 18.330 ( 0.000 -3.781 2.304) 4.428 18.330 ( 0.000 3.781 2.304) 4.428 21.055 ( 0.000 -3.967 -3.647) 5.389 21.055 ( 0.000 3.967 -3.647) 5.389 ======================= Grid point 200 (72/105) ======================= q-point: ( 0.12 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 2.642 -4.213 18.189) 18.857 1.952 ( 2.642 4.213 18.189) 18.857 2.455 ( -0.542 -5.102 10.177) 11.397 2.455 ( -0.542 5.102 10.177) 11.397 2.900 ( -3.005 -4.447 3.444) 6.377 2.900 ( -3.005 4.447 3.444) 6.377 3.083 ( -4.276 -1.180 2.976) 5.342 3.083 ( -4.276 1.180 2.976) 5.342 3.354 ( 0.757 -4.983 5.890) 7.752 3.354 ( 0.757 4.983 5.890) 7.752 3.500 ( 2.794 -2.890 4.553) 6.074 3.500 ( 2.794 2.890 4.553) 6.074 4.538 ( 3.019 -5.714 -1.337) 6.599 4.538 ( 3.019 5.714 -1.337) 6.599 4.994 ( 4.248 -2.357 -2.569) 5.496 4.994 ( 4.248 2.357 -2.569) 5.496 5.115 ( 4.801 -3.187 -2.146) 6.149 5.115 ( 4.801 3.187 -2.146) 6.149 5.855 ( -0.957 -7.078 -6.230) 9.478 5.855 ( -0.957 7.078 -6.230) 9.478 6.239 ( 2.902 -5.239 12.315) 13.694 6.239 ( 2.902 5.239 12.315) 13.694 6.856 ( 9.860 -20.019 3.207) 22.545 6.856 ( 9.860 20.019 3.207) 22.545 7.656 ( 1.248 -8.220 16.755) 18.704 7.656 ( 1.248 8.220 16.755) 18.704 7.891 ( -15.084 -18.418 6.038) 24.560 7.891 ( -15.084 18.418 6.038) 24.560 8.886 ( -2.825 -3.441 9.978) 10.926 8.886 ( -2.825 3.441 9.978) 10.926 9.309 ( 7.755 -1.086 17.331) 19.018 9.309 ( 7.755 1.086 17.331) 19.018 9.541 ( 3.888 -13.310 -2.183) 14.037 9.541 ( 3.888 13.310 -2.183) 14.037 9.864 ( 3.462 -5.448 12.604) 14.161 9.864 ( 3.462 5.448 12.604) 14.161 10.225 ( -8.934 -4.275 0.004) 9.905 10.225 ( -8.934 4.275 0.004) 9.905 10.862 ( -3.164 -4.912 3.971) 7.064 10.862 ( -3.164 4.912 3.971) 7.064 11.718 ( 8.474 -16.326 -8.558) 20.287 11.718 ( 8.474 16.326 -8.558) 20.287 12.627 ( -0.663 -1.726 13.949) 14.071 12.627 ( -0.663 1.726 13.949) 14.071 12.909 ( 1.873 -3.026 -1.880) 4.024 12.909 ( 1.873 3.026 -1.880) 4.024 14.674 ( 3.259 -6.622 3.499) 8.168 14.674 ( 3.259 6.622 3.499) 8.168 16.347 ( -18.319 -4.088 -0.795) 18.786 16.347 ( -18.319 4.088 -0.795) 18.786 18.544 ( 17.772 -8.789 2.043) 19.931 18.544 ( 17.772 8.789 2.043) 19.931 20.995 ( -5.607 -5.444 -2.901) 8.336 20.995 ( -5.607 5.444 -2.901) 8.336 ======================= Grid point 202 (73/105) ======================= q-point: ( 0.25 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 5.735 -1.897 12.967) 14.305 2.037 ( 5.735 1.897 12.967) 14.305 2.474 ( 2.625 -1.601 6.357) 7.061 2.474 ( 2.625 1.601 6.357) 7.061 2.817 ( -4.367 -3.770 2.963) 6.485 2.817 ( -4.367 3.770 2.963) 6.485 2.978 ( -5.662 -1.367 0.570) 5.853 2.978 ( -5.662 1.367 0.570) 5.853 3.338 ( -2.321 -3.707 5.556) 7.071 3.338 ( -2.321 3.707 5.556) 7.071 3.520 ( -1.661 -2.426 1.135) 3.152 3.520 ( -1.661 2.426 1.135) 3.152 4.579 ( 0.949 -8.794 0.483) 8.858 4.579 ( 0.949 8.794 0.483) 8.858 5.029 ( 0.239 -4.383 -2.248) 4.932 5.029 ( 0.239 4.383 -2.248) 4.932 5.370 ( 15.942 -4.660 5.870) 17.616 5.370 ( 15.942 4.660 5.870) 17.616 5.877 ( 3.797 -2.640 -11.299) 12.209 5.877 ( 3.797 2.640 -11.299) 12.209 6.334 ( 5.935 -1.067 10.002) 11.679 6.334 ( 5.935 1.067 10.002) 11.679 7.033 ( 4.592 -18.408 6.682) 20.114 7.033 ( 4.592 18.408 6.682) 20.114 7.533 ( -11.901 -19.954 16.571) 28.537 7.533 ( -11.901 19.954 16.571) 28.537 7.808 ( 9.313 -5.512 1.870) 10.982 7.808 ( 9.313 5.512 1.870) 10.982 8.766 ( -8.547 -2.728 8.062) 12.062 8.766 ( -8.547 2.728 8.062) 12.062 9.350 ( -2.972 -13.186 7.302) 15.363 9.350 ( -2.972 13.186 7.302) 15.363 9.571 ( -8.394 -2.670 1.735) 8.978 9.571 ( -8.394 2.670 1.735) 8.978 9.894 ( 4.870 -3.554 22.312) 23.112 9.894 ( 4.870 3.554 22.312) 23.112 10.241 ( 10.776 -10.139 1.412) 14.863 10.241 ( 10.776 10.139 1.412) 14.863 10.799 ( -3.022 -1.894 14.502) 14.935 10.799 ( -3.022 1.894 14.502) 14.935 11.862 ( 4.242 -12.582 -10.746) 17.081 11.862 ( 4.242 12.582 -10.746) 17.081 12.645 ( 2.594 -2.340 7.952) 8.686 12.645 ( 2.594 2.340 7.952) 8.686 12.946 ( 1.347 -3.078 -4.498) 5.614 12.946 ( 1.347 3.078 -4.498) 5.614 14.766 ( 5.217 -7.111 3.137) 9.361 14.766 ( 5.217 7.111 3.137) 9.361 15.922 ( -20.123 -7.406 2.019) 21.537 15.922 ( -20.123 7.406 2.019) 21.537 18.972 ( 21.201 -11.815 3.281) 24.492 18.972 ( 21.201 11.815 3.281) 24.492 20.827 ( -10.029 -7.727 -1.292) 12.726 20.827 ( -10.029 7.727 -1.292) 12.726 ======================= Grid point 204 (74/105) ======================= q-point: ( 0.38 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 9.016 -5.609 3.602) 11.213 2.197 ( 9.016 5.609 3.602) 11.213 2.553 ( 4.305 -1.985 3.435) 5.854 2.553 ( 4.305 1.985 3.435) 5.854 2.735 ( -3.296 -2.578 1.001) 4.302 2.735 ( -3.296 2.578 1.001) 4.302 2.835 ( -7.947 -0.581 1.250) 8.066 2.835 ( -7.947 0.581 1.250) 8.066 3.280 ( -2.204 -2.839 3.873) 5.284 3.280 ( -2.204 2.839 3.873) 5.284 3.441 ( -4.921 -1.551 1.032) 5.262 3.441 ( -4.921 1.551 1.032) 5.262 4.594 ( 0.607 -5.928 1.905) 6.256 4.594 ( 0.607 5.928 1.905) 6.256 5.029 ( -0.333 -3.687 0.504) 3.736 5.029 ( -0.333 3.687 0.504) 3.736 5.641 ( 8.783 -1.573 8.651) 12.428 5.641 ( 8.783 1.573 8.651) 12.428 6.023 ( 8.665 -4.825 -6.880) 12.070 6.023 ( 8.665 4.825 -6.880) 12.070 6.439 ( 1.991 -10.526 5.594) 12.086 6.439 ( 1.991 10.526 5.594) 12.086 7.041 ( -2.064 -17.212 1.364) 17.389 7.041 ( -2.064 17.212 1.364) 17.389 7.401 ( 0.941 -16.254 13.652) 21.248 7.401 ( 0.941 16.254 13.652) 21.248 8.080 ( 12.555 -6.758 3.245) 14.623 8.080 ( 12.555 6.758 3.245) 14.623 8.561 ( -7.805 -7.238 4.010) 11.375 8.561 ( -7.805 7.238 4.010) 11.375 9.085 ( -19.338 -16.227 0.182) 25.245 9.085 ( -19.338 16.227 0.182) 25.245 9.478 ( 0.523 -3.196 16.158) 16.479 9.478 ( 0.523 3.196 16.158) 16.479 10.027 ( 5.502 -2.672 22.210) 23.036 10.027 ( 5.502 2.672 22.210) 23.036 10.491 ( 9.966 -8.196 6.179) 14.306 10.491 ( 9.966 8.196 6.179) 14.306 10.737 ( -2.423 -1.627 19.354) 19.573 10.737 ( -2.423 1.627 19.354) 19.573 11.900 ( 0.064 -7.304 -9.657) 12.109 11.900 ( 0.064 7.304 -9.657) 12.109 12.718 ( 3.470 -2.224 0.853) 4.209 12.718 ( 3.470 2.224 0.853) 4.209 12.962 ( 0.287 -1.670 -7.134) 7.333 12.962 ( 0.287 1.670 -7.134) 7.333 14.880 ( 5.214 -6.481 3.016) 8.848 14.880 ( 5.214 6.481 3.016) 8.848 15.558 ( -13.524 -7.249 3.192) 15.673 15.558 ( -13.524 7.249 3.192) 15.673 19.383 ( 16.681 -10.216 5.971) 20.451 19.383 ( 16.681 10.216 5.971) 20.451 20.598 ( -10.749 -7.811 -0.353) 13.292 20.598 ( -10.749 7.811 -0.353) 13.292 ======================= Grid point 206 (75/105) ======================= q-point: (-0.50 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 0.000 0.000 -4.950) 4.950 2.333 ( 0.000 0.000 -4.950) 4.950 2.615 ( 0.000 -0.000 1.235) 1.235 2.615 ( 0.000 0.000 1.235) 1.235 2.692 ( -0.000 -0.000 4.003) 4.003 2.692 ( 0.000 -0.000 4.003) 4.003 2.710 ( -0.000 0.000 3.305) 3.305 2.710 ( 0.000 0.000 3.305) 3.305 3.264 ( 0.000 0.000 0.875) 0.875 3.264 ( 0.000 -0.000 0.875) 0.875 3.371 ( 0.000 0.000 3.561) 3.561 3.371 ( 0.000 0.000 3.561) 3.561 4.602 ( 0.000 0.000 2.514) 2.514 4.602 ( 0.000 0.000 2.514) 2.514 5.022 ( 0.000 -0.000 1.290) 1.290 5.022 ( 0.000 0.000 1.290) 1.290 5.738 ( -0.000 0.000 7.448) 7.448 5.738 ( 0.000 0.000 7.448) 7.448 6.138 ( 0.000 -0.000 2.195) 2.195 6.138 ( -0.000 0.000 2.195) 2.195 6.429 ( 0.000 -0.000 0.894) 0.894 6.429 ( 0.000 0.000 0.894) 0.894 7.011 ( 0.000 0.000 -1.172) 1.172 7.011 ( 0.000 0.000 -1.172) 1.172 7.472 ( 0.000 0.000 9.186) 9.186 7.472 ( 0.000 0.000 9.186) 9.186 8.158 ( 0.000 0.000 6.672) 6.672 8.158 ( 0.000 0.000 6.672) 6.672 8.651 ( -0.000 -0.000 -9.761) 9.761 8.651 ( 0.000 0.000 -9.761) 9.761 8.712 ( 0.000 -0.000 12.759) 12.759 8.712 ( 0.000 0.000 12.759) 12.759 9.492 ( 0.000 0.000 18.487) 18.487 9.492 ( 0.000 0.000 18.487) 18.487 10.090 ( 0.000 0.000 20.039) 20.039 10.090 ( 0.000 0.000 20.039) 20.039 10.592 ( 0.000 -0.000 14.131) 14.131 10.592 ( 0.000 0.000 14.131) 14.131 10.718 ( 0.000 0.000 16.611) 16.611 10.718 ( -0.000 0.000 16.611) 16.611 11.896 ( -0.000 0.000 -9.520) 9.520 11.896 ( 0.000 0.000 -9.520) 9.520 12.759 ( 0.000 -0.000 -1.776) 1.776 12.759 ( 0.000 0.000 -1.776) 1.776 12.964 ( 0.000 0.000 -8.274) 8.274 12.964 ( 0.000 0.000 -8.274) 8.274 14.949 ( -0.000 -0.000 3.216) 3.216 14.949 ( 0.000 0.000 3.216) 3.216 15.401 ( 0.000 0.000 3.173) 3.173 15.401 ( 0.000 0.000 3.173) 3.173 19.586 ( -0.000 0.000 7.993) 7.993 19.586 ( 0.000 0.000 7.993) 7.993 20.458 ( 0.000 0.000 -0.782) 0.782 20.458 ( 0.000 0.000 -0.782) 0.782 ======================= Grid point 225 (76/105) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.000 0.000 2.717) 2.717 2.539 ( 0.000 0.000 9.449) 9.449 2.611 ( 0.000 0.000 11.776) 11.776 2.799 ( 0.000 0.000 -1.591) 1.591 2.885 ( 0.000 0.000 5.632) 5.632 2.956 ( 0.000 0.000 4.784) 4.784 3.252 ( 0.000 0.000 3.898) 3.898 3.291 ( 0.000 0.000 4.459) 4.459 3.375 ( 0.000 0.000 4.689) 4.689 3.382 ( 0.000 0.000 3.574) 3.574 3.602 ( 0.000 0.000 5.674) 5.674 3.837 ( 0.000 0.000 19.220) 19.220 4.188 ( 0.000 0.000 -7.129) 7.129 4.274 ( 0.000 0.000 -1.120) 1.120 4.847 ( 0.000 0.000 2.879) 2.879 5.090 ( 0.000 0.000 -8.223) 8.223 5.155 ( 0.000 0.000 -0.046) 0.046 5.325 ( 0.000 0.000 -2.771) 2.771 5.411 ( 0.000 0.000 -0.382) 0.382 5.505 ( 0.000 0.000 -14.815) 14.815 6.423 ( 0.000 0.000 8.984) 8.984 6.488 ( 0.000 0.000 11.659) 11.659 6.761 ( 0.000 0.000 5.447) 5.447 7.363 ( 0.000 0.000 3.698) 3.698 7.447 ( 0.000 0.000 -6.692) 6.692 7.819 ( 0.000 0.000 12.897) 12.897 8.284 ( 0.000 0.000 -0.274) 0.274 8.310 ( 0.000 0.000 20.261) 20.261 8.637 ( 0.000 0.000 -0.643) 0.643 8.980 ( 0.000 0.000 9.588) 9.588 9.270 ( 0.000 0.000 -1.541) 1.541 9.405 ( 0.000 0.000 -5.729) 5.729 9.835 ( 0.000 0.000 7.060) 7.060 9.901 ( 0.000 0.000 18.347) 18.347 10.117 ( 0.000 0.000 4.710) 4.710 10.142 ( 0.000 0.000 -6.534) 6.534 10.197 ( 0.000 0.000 6.513) 6.513 10.338 ( 0.000 0.000 4.733) 4.733 10.522 ( 0.000 0.000 2.391) 2.391 10.956 ( 0.000 0.000 -3.752) 3.752 11.143 ( 0.000 0.000 3.742) 3.742 12.463 ( 0.000 0.000 10.405) 10.405 12.468 ( 0.000 0.000 5.099) 5.099 12.624 ( 0.000 0.000 -7.665) 7.665 12.799 ( 0.000 0.000 -3.469) 3.469 13.402 ( 0.000 0.000 31.199) 31.199 14.508 ( 0.000 0.000 -1.046) 1.046 14.884 ( 0.000 0.000 0.892) 0.892 16.499 ( 0.000 0.000 -2.177) 2.177 16.546 ( 0.000 0.000 -2.483) 2.483 17.950 ( 0.000 0.000 -15.053) 15.053 18.658 ( 0.000 0.000 7.635) 7.635 20.955 ( 0.000 0.000 1.536) 1.536 21.017 ( 0.000 0.000 -5.658) 5.658 ======================= Grid point 226 (77/105) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 6.920 0.000 1.392) 7.058 2.470 ( -6.131 0.000 10.485) 12.146 2.639 ( 2.316 0.000 10.147) 10.408 2.772 ( -2.321 0.000 -1.087) 2.562 2.810 ( -5.983 0.000 5.493) 8.123 2.882 ( -6.524 0.000 4.604) 7.985 3.177 ( -6.571 0.000 2.346) 6.977 3.295 ( 0.125 0.000 3.556) 3.558 3.359 ( -2.115 0.000 3.709) 4.269 3.408 ( 1.391 0.000 4.006) 4.240 3.587 ( -1.697 0.000 5.761) 6.005 3.752 ( -7.050 0.000 13.737) 15.440 4.313 ( 3.016 0.000 -1.415) 3.331 4.352 ( 13.737 0.000 -7.346) 15.578 4.801 ( -11.901 0.000 -10.273) 15.722 4.944 ( 8.391 0.000 0.440) 8.403 5.164 ( 3.258 0.000 -0.620) 3.317 5.597 ( 11.283 0.000 -8.233) 13.967 5.672 ( 18.595 0.000 2.031) 18.706 5.706 ( 20.184 0.000 4.926) 20.776 6.231 ( -13.160 0.000 5.513) 14.268 6.471 ( -1.057 0.000 10.828) 10.879 6.654 ( -9.455 0.000 5.831) 11.108 7.410 ( -1.973 0.000 -11.265) 11.437 7.496 ( -3.565 0.000 7.023) 7.877 7.656 ( 2.020 0.000 11.386) 11.564 8.276 ( -4.850 0.000 15.894) 16.618 8.520 ( 16.706 0.000 1.221) 16.751 8.732 ( 8.212 0.000 3.794) 9.046 8.969 ( -4.731 0.000 5.260) 7.075 9.149 ( -10.168 0.000 -1.456) 10.271 9.278 ( -4.666 0.000 -1.750) 4.983 9.601 ( -17.281 0.000 0.094) 17.281 9.976 ( 2.385 0.000 20.875) 21.011 10.141 ( 0.173 0.000 -4.230) 4.234 10.216 ( 1.066 0.000 8.278) 8.346 10.257 ( -2.163 0.000 8.907) 9.166 10.295 ( 12.457 0.000 2.027) 12.621 10.671 ( 11.143 0.000 2.949) 11.527 11.119 ( -1.867 0.000 6.303) 6.574 11.120 ( 12.363 0.000 -2.833) 12.684 12.460 ( -1.003 0.000 9.611) 9.663 12.468 ( 0.320 0.000 3.645) 3.659 12.649 ( 2.123 0.000 -7.639) 7.928 12.763 ( -2.733 0.000 -2.944) 4.017 13.370 ( -3.162 0.000 27.239) 27.422 14.535 ( 2.543 0.000 -1.046) 2.749 14.928 ( 4.045 0.000 0.584) 4.087 16.174 ( -23.939 0.000 -2.268) 24.046 16.405 ( -13.574 0.000 -1.367) 13.643 18.226 ( 22.004 0.000 -9.684) 24.041 18.896 ( 20.240 0.000 3.894) 20.611 20.820 ( -10.105 0.000 0.190) 10.107 21.033 ( -1.172 0.000 -3.137) 3.349 ======================= Grid point 227 (78/105) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 10.442 0.000 -1.237) 10.515 2.325 ( -6.072 0.000 10.414) 12.055 2.644 ( -4.783 0.000 -0.026) 4.783 2.684 ( -5.180 0.000 3.494) 6.249 2.693 ( -7.748 0.000 1.083) 7.823 2.771 ( 1.781 0.000 6.040) 6.297 3.033 ( -5.911 0.000 1.451) 6.087 3.275 ( -2.235 0.000 2.017) 3.011 3.294 ( -4.025 0.000 3.954) 5.642 3.384 ( -3.913 0.000 2.491) 4.639 3.522 ( -4.227 0.000 6.155) 7.467 3.586 ( -7.802 0.000 7.043) 10.510 4.361 ( 1.451 0.000 -0.648) 1.589 4.606 ( 6.771 0.000 -5.320) 8.611 4.727 ( 4.535 0.000 -10.814) 11.726 5.132 ( 7.504 0.000 -6.832) 10.148 5.407 ( 20.804 0.000 5.574) 21.538 5.825 ( -9.141 0.000 3.145) 9.667 5.899 ( 17.621 0.000 -2.507) 17.799 5.986 ( 5.071 0.000 16.327) 17.096 6.345 ( 28.718 0.000 5.867) 29.311 6.396 ( -14.073 0.000 4.237) 14.697 6.505 ( 5.023 0.000 9.101) 10.395 7.161 ( -17.637 0.000 3.952) 18.074 7.421 ( 3.336 0.000 -15.744) 16.093 7.953 ( 15.946 0.000 17.211) 23.463 8.095 ( -11.700 0.000 6.232) 13.257 8.599 ( -14.320 0.000 6.411) 15.690 8.785 ( -9.574 0.000 5.881) 11.236 8.961 ( -9.065 0.000 5.470) 10.587 8.989 ( 11.754 0.000 -9.484) 15.103 9.221 ( -11.191 0.000 -3.300) 11.668 9.342 ( 9.852 0.000 0.747) 9.880 9.944 ( -2.929 0.000 15.681) 15.952 10.159 ( 1.467 0.000 2.790) 3.152 10.271 ( 1.002 0.000 4.375) 4.489 10.328 ( 8.828 0.000 17.825) 19.891 10.506 ( 6.053 0.000 -0.603) 6.083 10.895 ( 9.308 0.000 8.734) 12.764 11.097 ( 0.705 0.000 13.924) 13.942 11.393 ( 12.855 0.000 -0.005) 12.855 12.378 ( -7.379 0.000 6.925) 10.119 12.502 ( 3.366 0.000 0.505) 3.404 12.704 ( 2.915 0.000 -7.726) 8.257 12.731 ( 0.303 0.000 -2.536) 2.554 13.265 ( -6.922 0.000 18.545) 19.795 14.612 ( 4.778 0.000 -1.088) 4.900 15.047 ( 7.101 0.000 -0.019) 7.101 15.653 ( -23.624 0.000 -0.505) 23.629 16.064 ( -17.296 0.000 -0.547) 17.305 18.745 ( 25.909 0.000 -2.257) 26.007 19.399 ( 25.740 0.000 -0.440) 25.744 20.556 ( -14.860 0.000 1.780) 14.966 20.946 ( -7.182 0.000 -1.993) 7.454 ======================= Grid point 228 (79/105) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -0.615 0.000 5.235) 5.271 2.402 ( 9.974 0.000 -2.248) 10.224 2.448 ( -9.848 0.000 -3.407) 10.421 2.595 ( -3.261 0.000 -0.718) 3.339 2.616 ( -0.732 0.000 -0.178) 0.754 2.801 ( -2.120 0.000 0.214) 2.131 2.977 ( 1.919 0.000 4.285) 4.695 3.194 ( -5.386 0.000 4.476) 7.003 3.211 ( -3.132 0.000 2.867) 4.246 3.267 ( -5.941 0.000 1.945) 6.251 3.436 ( -3.357 0.000 6.607) 7.410 3.454 ( -4.452 0.000 5.501) 7.076 4.411 ( 3.813 0.000 1.701) 4.175 4.626 ( -3.403 0.000 0.028) 3.403 4.907 ( 10.739 0.000 -11.056) 15.414 5.235 ( 0.526 0.000 -5.812) 5.836 5.637 ( 0.334 0.000 -3.688) 3.703 5.894 ( 14.110 0.000 8.999) 16.736 6.005 ( -0.606 0.000 18.508) 18.518 6.082 ( -14.768 0.000 -2.526) 14.982 6.360 ( 25.832 0.000 2.912) 25.996 6.622 ( 3.876 0.000 15.027) 15.519 6.788 ( -3.186 0.000 4.749) 5.719 7.109 ( 29.385 0.000 4.302) 29.698 7.460 ( -6.061 0.000 -12.507) 13.898 7.857 ( -5.821 0.000 -1.667) 6.055 8.232 ( 3.325 0.000 10.518) 11.031 8.268 ( -8.319 0.000 6.173) 10.359 8.451 ( -25.837 0.000 8.499) 27.199 8.577 ( -13.158 0.000 -1.956) 13.302 9.125 ( 2.539 0.000 -3.281) 4.148 9.213 ( 0.860 0.000 7.963) 8.009 9.675 ( 18.506 0.000 -7.118) 19.827 9.942 ( 3.235 0.000 11.721) 12.159 10.172 ( -1.272 0.000 9.439) 9.525 10.234 ( -4.808 0.000 -3.067) 5.703 10.501 ( 5.743 0.000 16.345) 17.325 10.554 ( 0.135 0.000 2.903) 2.906 11.061 ( 6.713 0.000 21.457) 22.483 11.146 ( 2.707 0.000 21.707) 21.875 11.649 ( 11.711 0.000 -0.286) 11.714 12.167 ( -11.935 0.000 3.282) 12.378 12.616 ( 7.168 0.000 -0.677) 7.200 12.753 ( 0.894 0.000 -3.275) 3.395 12.768 ( 3.347 0.000 -7.263) 7.997 13.086 ( -9.715 0.000 9.123) 13.327 14.737 ( 7.232 0.000 -1.039) 7.306 15.220 ( 9.235 0.000 -0.311) 9.240 15.222 ( -17.172 0.000 0.043) 17.172 15.718 ( -15.077 0.000 -0.086) 15.077 19.282 ( 24.733 0.000 2.331) 24.843 19.928 ( 23.877 0.000 -1.537) 23.926 20.202 ( -18.681 0.000 3.525) 19.011 20.729 ( -13.418 0.000 -1.266) 13.477 ======================= Grid point 229 (80/105) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -5.426 0.000 -0.488) 5.448 2.283 ( 5.426 0.000 -0.488) 5.448 2.536 ( -2.912 0.000 -1.534) 3.291 2.536 ( 2.912 0.000 -1.534) 3.291 2.689 ( -6.789 0.000 -3.929) 7.844 2.689 ( 6.789 0.000 -3.929) 7.844 3.074 ( -5.780 0.000 5.186) 7.765 3.074 ( 5.780 0.000 5.186) 7.765 3.184 ( -1.278 0.000 3.277) 3.518 3.184 ( 1.278 0.000 3.277) 3.518 3.402 ( -0.418 0.000 6.272) 6.286 3.402 ( 0.418 0.000 6.272) 6.286 4.517 ( -5.877 0.000 2.900) 6.554 4.517 ( 5.877 0.000 2.900) 6.554 5.126 ( -9.170 0.000 -8.831) 12.731 5.126 ( 9.170 0.000 -8.831) 12.731 5.783 ( -11.962 0.000 -5.706) 13.254 5.783 ( 11.962 0.000 -5.706) 13.254 6.021 ( -0.053 0.000 16.280) 16.280 6.021 ( 0.053 0.000 16.280) 16.280 6.641 ( -1.611 0.000 12.146) 12.252 6.641 ( 1.611 0.000 12.146) 12.252 7.057 ( -26.439 0.000 -4.734) 26.859 7.057 ( 26.439 0.000 -4.734) 26.859 7.783 ( -27.906 0.000 5.475) 28.438 7.783 ( 27.906 0.000 5.475) 28.438 7.987 ( -6.246 0.000 -2.668) 6.792 7.987 ( 6.246 0.000 -2.668) 6.792 8.406 ( -5.956 0.000 5.142) 7.869 8.406 ( 5.956 0.000 5.142) 7.869 9.179 ( -2.973 0.000 5.695) 6.424 9.179 ( 2.973 0.000 5.695) 6.424 9.992 ( -7.040 0.000 -4.103) 8.148 9.992 ( 7.040 0.000 -4.103) 8.148 10.112 ( -0.191 0.000 5.170) 5.174 10.112 ( 0.191 0.000 5.170) 5.174 10.556 ( -0.307 0.000 12.062) 12.066 10.556 ( 0.307 0.000 12.062) 12.066 11.160 ( -2.042 0.000 26.194) 26.273 11.160 ( 2.042 0.000 26.194) 26.273 11.903 ( -12.629 0.000 -0.184) 12.630 11.903 ( 12.629 0.000 -0.184) 12.630 12.741 ( -2.858 0.000 -2.404) 3.735 12.741 ( 2.858 0.000 -2.404) 3.735 12.882 ( -8.555 0.000 -0.608) 8.577 12.882 ( 8.555 0.000 -0.608) 8.577 14.927 ( -11.169 0.000 -0.575) 11.183 14.927 ( 11.169 0.000 -0.575) 11.183 15.438 ( -11.685 0.000 -0.139) 11.686 15.438 ( 11.685 0.000 -0.139) 11.686 19.774 ( -21.967 0.000 4.035) 22.334 19.774 ( 21.967 0.000 4.035) 22.334 20.385 ( -19.276 0.000 -1.256) 19.317 20.385 ( 19.276 0.000 -1.256) 19.317 ======================= Grid point 234 (81/105) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.000 9.361 6.149) 11.200 2.497 ( 0.000 -10.034 14.097) 17.303 2.571 ( 0.000 2.841 8.431) 8.896 2.767 ( 0.000 -6.308 5.842) 8.598 2.836 ( 0.000 4.265 0.691) 4.321 3.043 ( 0.000 3.417 4.302) 5.494 3.239 ( 0.000 -1.206 3.204) 3.424 3.294 ( 0.000 2.225 2.419) 3.286 3.295 ( 0.000 -7.180 3.226) 7.871 3.460 ( 0.000 5.758 5.393) 7.889 3.557 ( 0.000 -4.860 4.578) 6.677 3.719 ( 0.000 -7.534 9.909) 12.448 4.295 ( 0.000 8.582 -5.642) 10.271 4.417 ( 0.000 7.682 2.681) 8.136 4.769 ( 0.000 -4.395 -6.768) 8.070 4.932 ( 0.000 -13.794 -10.006) 17.041 5.129 ( 0.000 -2.608 0.483) 2.652 5.140 ( 0.000 2.656 5.751) 6.334 5.553 ( 0.000 11.741 -4.663) 12.634 6.052 ( 0.000 28.971 -5.219) 29.437 6.216 ( 0.000 -15.024 5.066) 15.855 6.464 ( 0.000 -1.407 11.488) 11.574 6.617 ( 0.000 -10.571 7.168) 12.772 7.164 ( 0.000 -17.339 1.504) 17.405 7.651 ( 0.000 14.287 -2.336) 14.477 7.937 ( 0.000 11.828 13.618) 18.037 8.184 ( 0.000 -10.179 18.423) 21.048 8.446 ( 0.000 9.846 4.815) 10.960 8.599 ( 0.000 -2.318 0.388) 2.350 9.090 ( 0.000 8.351 -2.900) 8.840 9.137 ( 0.000 -11.283 -2.910) 11.652 9.367 ( 0.000 -3.679 -5.270) 6.427 9.734 ( 0.000 -3.969 14.533) 15.065 9.943 ( 0.000 1.332 16.698) 16.751 9.996 ( 0.000 -7.624 3.595) 8.429 10.140 ( 0.000 -2.523 9.008) 9.355 10.267 ( 0.000 7.082 0.760) 7.123 10.393 ( 0.000 1.789 2.207) 2.841 10.623 ( 0.000 8.035 -2.056) 8.294 10.913 ( 0.000 -4.002 -3.496) 5.314 11.263 ( 0.000 11.268 3.532) 11.809 12.047 ( 0.000 -21.317 5.006) 21.897 12.637 ( 0.000 1.076 -7.112) 7.193 12.667 ( 0.000 1.953 -1.007) 2.197 12.932 ( 0.000 11.776 10.010) 15.456 13.343 ( 0.000 -5.484 28.469) 28.992 14.548 ( 0.000 3.742 -0.968) 3.865 14.811 ( 0.000 -6.193 0.263) 6.199 16.504 ( 0.000 0.521 -2.162) 2.224 16.538 ( 0.000 -0.711 -2.398) 2.501 18.064 ( 0.000 9.935 -10.974) 14.804 18.562 ( 0.000 -8.691 4.824) 9.940 20.970 ( 0.000 1.236 0.319) 1.277 21.014 ( 0.000 -0.397 -4.701) 4.717 ======================= Grid point 235 (82/105) ======================= q-point: ( 0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 5.011 7.658 5.304) 10.578 2.452 ( -5.040 -4.359 13.791) 15.317 2.580 ( 1.885 -2.671 8.351) 8.968 2.703 ( -5.020 -5.213 5.039) 8.819 2.813 ( -2.388 4.417 0.538) 5.050 2.973 ( -6.148 4.067 4.024) 8.398 3.159 ( -6.781 -1.569 2.008) 7.243 3.265 ( -2.571 -7.684 3.599) 8.867 3.320 ( 1.359 2.956 1.971) 3.804 3.469 ( -0.027 4.546 4.011) 6.062 3.554 ( -0.709 -3.516 4.616) 5.846 3.688 ( -3.202 -4.950 7.272) 9.361 4.402 ( 0.510 6.368 0.521) 6.410 4.440 ( 10.993 6.506 -5.001) 13.718 4.773 ( -0.211 1.017 -10.706) 10.756 4.979 ( 5.936 -3.096 0.429) 6.709 5.147 ( 5.524 -3.824 0.408) 6.731 5.326 ( 11.565 -2.973 -0.212) 11.943 5.568 ( 5.478 -2.012 -3.042) 6.581 6.044 ( -11.435 -13.742 1.054) 17.908 6.245 ( 11.669 23.841 4.769) 26.968 6.484 ( 3.491 3.208 10.858) 11.848 6.643 ( 2.137 -2.773 4.682) 5.846 7.362 ( 11.080 -13.707 7.661) 19.218 7.526 ( -5.365 9.673 -7.087) 13.137 7.742 ( -12.953 12.113 11.732) 21.264 8.138 ( -5.070 -11.926 13.091) 18.420 8.515 ( -5.480 -15.986 13.227) 21.461 8.659 ( 9.235 10.000 -3.852) 14.147 9.037 ( -0.066 -0.706 -2.784) 2.873 9.163 ( -1.500 5.884 -2.154) 6.443 9.373 ( 2.145 6.358 -2.874) 7.300 9.619 ( -10.458 0.902 4.927) 11.596 9.916 ( -2.873 -8.379 8.946) 12.590 10.086 ( 5.204 2.748 13.786) 14.989 10.198 ( 0.615 -3.180 10.621) 11.104 10.233 ( 3.127 -3.287 1.713) 4.849 10.291 ( -1.133 -0.107 2.252) 2.523 10.778 ( 10.314 7.999 3.324) 13.469 11.037 ( 6.967 -3.675 4.099) 8.880 11.293 ( 4.150 12.010 -0.815) 12.733 12.056 ( 0.776 -20.509 2.539) 20.680 12.645 ( 0.921 1.479 -4.590) 4.910 12.685 ( 1.460 0.905 -2.921) 3.389 12.885 ( -4.053 12.070 9.537) 15.908 13.308 ( -3.357 -5.728 24.936) 25.805 14.577 ( 2.698 3.883 -1.052) 4.844 14.848 ( 3.404 -6.600 -0.049) 7.426 16.227 ( -20.979 4.287 -1.897) 21.496 16.385 ( -14.102 -1.902 -1.436) 14.302 18.315 ( 20.554 8.081 -7.139) 23.210 18.787 ( 19.175 -9.491 2.480) 21.539 20.864 ( -8.162 3.637 -0.562) 8.953 21.011 ( -2.082 -2.024 -2.850) 4.068 ======================= Grid point 236 (83/105) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 7.016 2.861 3.022) 8.157 2.322 ( -5.862 -0.714 11.150) 12.617 2.592 ( -4.086 -3.624 2.821) 6.147 2.646 ( 2.390 -3.576 6.153) 7.507 2.733 ( -4.805 4.100 -1.210) 6.431 2.821 ( -6.716 4.366 3.332) 8.676 3.008 ( -6.532 -1.837 0.864) 6.841 3.189 ( -4.542 -8.424 4.153) 10.433 3.318 ( -1.734 3.748 1.637) 4.442 3.425 ( -4.383 2.932 1.601) 5.511 3.514 ( -2.963 -0.964 4.712) 5.649 3.588 ( -5.709 -0.711 3.757) 6.871 4.422 ( 1.953 6.072 1.071) 6.467 4.644 ( 5.008 1.673 -3.944) 6.590 4.805 ( 4.076 6.793 -8.439) 11.575 5.123 ( 5.926 -2.718 -1.789) 6.760 5.422 ( 20.792 1.246 5.438) 21.528 5.610 ( 14.978 -9.472 -1.888) 17.822 5.664 ( -1.068 -10.441 -2.863) 10.879 5.936 ( 4.452 -12.117 2.267) 13.107 6.447 ( 4.563 8.643 12.183) 15.619 6.545 ( 4.911 3.898 11.932) 13.479 6.739 ( 5.235 20.849 4.522) 21.967 7.274 ( -7.422 6.276 1.555) 9.844 7.490 ( -6.239 10.479 -2.791) 12.510 7.758 ( 7.994 -12.985 4.541) 15.910 8.018 ( -0.371 -10.877 5.798) 12.332 8.315 ( -11.105 -18.366 13.790) 25.511 8.801 ( 0.805 -0.683 0.077) 1.059 8.859 ( -10.417 -3.779 -1.042) 11.130 9.190 ( -16.591 11.204 0.028) 20.020 9.283 ( -0.627 6.986 -5.348) 8.820 9.556 ( 9.561 11.957 1.457) 15.379 9.883 ( 0.257 -7.605 11.444) 13.743 10.075 ( -1.650 0.299 6.527) 6.740 10.263 ( 6.179 -0.308 9.847) 11.629 10.340 ( 7.165 -1.462 14.230) 15.999 10.478 ( 11.030 -5.459 0.921) 12.341 10.944 ( 4.357 5.650 8.258) 10.913 11.116 ( 2.120 0.371 16.537) 16.676 11.462 ( 10.412 7.171 -3.036) 13.002 12.070 ( 0.162 -17.634 -1.111) 17.670 12.674 ( 1.526 2.668 -0.767) 3.168 12.719 ( 1.563 -0.545 -3.207) 3.609 12.795 ( -3.332 10.666 3.471) 11.701 13.201 ( -6.761 -5.809 17.000) 19.195 14.657 ( 4.824 4.068 -1.249) 6.433 14.945 ( 5.401 -7.775 -0.687) 9.492 15.764 ( -20.994 8.334 -0.295) 22.590 16.035 ( -17.630 -2.886 -0.535) 17.872 18.811 ( 24.990 6.184 -1.339) 25.779 19.261 ( 23.930 -11.268 0.303) 26.452 20.648 ( -12.097 7.232 0.501) 14.103 20.911 ( -7.562 -3.359 -1.829) 8.474 ======================= Grid point 237 (84/105) ======================= q-point: ( 0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -0.892 0.484 4.528) 4.641 2.310 ( 1.533 -4.019 -1.533) 4.566 2.537 ( 0.117 2.839 0.072) 2.843 2.615 ( -2.715 4.330 -0.296) 5.119 2.661 ( -2.665 1.795 -0.771) 3.304 2.769 ( -0.538 -1.649 2.940) 3.413 2.910 ( -1.494 -4.609 2.786) 5.589 3.080 ( -5.559 -8.489 5.132) 11.371 3.261 ( -2.883 3.604 2.370) 5.188 3.309 ( -5.459 2.915 0.603) 6.218 3.450 ( -2.603 0.776 4.766) 5.486 3.479 ( -4.166 1.086 3.487) 5.541 4.483 ( 3.799 6.354 2.597) 7.845 4.656 ( -2.591 1.812 0.300) 3.176 4.931 ( 7.066 2.071 -7.291) 10.363 5.181 ( -1.720 -5.732 -2.051) 6.327 5.639 ( 5.318 1.409 -6.024) 8.158 5.827 ( 11.617 -4.018 6.901) 14.097 5.940 ( 10.853 -2.806 9.410) 14.636 6.186 ( 20.907 -9.775 1.977) 23.164 6.277 ( -11.888 13.309 6.038) 18.839 6.718 ( -2.422 -1.168 10.311) 10.656 6.837 ( 3.497 7.242 5.290) 9.626 7.248 ( 13.819 11.204 4.738) 18.411 7.349 ( -13.031 -10.207 -6.779) 17.887 7.861 ( 11.438 5.892 -6.222) 14.292 8.030 ( -10.306 -15.595 12.508) 22.492 8.239 ( 6.908 -2.203 9.405) 11.875 8.526 ( -13.849 -1.685 -1.631) 14.046 8.686 ( -24.140 8.771 -4.265) 26.036 8.920 ( 4.530 -8.100 4.264) 10.213 9.257 ( -5.246 -0.568 2.027) 5.653 9.721 ( 5.707 1.924 6.027) 8.520 9.898 ( -0.632 -6.988 11.275) 13.280 10.191 ( 11.854 15.134 0.592) 19.233 10.370 ( 3.985 0.187 7.910) 8.859 10.462 ( 3.766 -2.362 17.008) 17.580 10.638 ( 1.305 5.232 -1.506) 5.599 11.003 ( 4.095 -2.358 13.926) 14.705 11.156 ( 0.708 -0.791 22.575) 22.600 11.682 ( 10.129 3.510 1.198) 10.787 12.033 ( -4.388 -10.233 1.052) 11.184 12.702 ( 2.102 5.136 3.579) 6.604 12.751 ( 1.514 -0.157 -3.058) 3.416 12.780 ( 1.240 2.149 -6.982) 7.410 13.034 ( -8.785 -4.720 7.990) 12.779 14.778 ( 6.819 3.758 -1.303) 7.894 15.040 ( 1.560 -7.882 -1.137) 8.115 15.417 ( -9.554 9.076 0.424) 13.185 15.688 ( -14.747 -2.957 -0.013) 15.041 19.324 ( 23.162 4.170 2.641) 23.682 19.717 ( 16.670 -13.138 1.544) 21.281 20.387 ( -10.521 10.959 0.524) 15.201 20.696 ( -12.664 -3.261 -1.234) 13.136 ======================= Grid point 238 (85/105) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -3.225 -1.136 -2.125) 4.026 2.267 ( 3.225 -1.136 -2.125) 4.026 2.574 ( -1.983 2.803 -0.435) 3.462 2.574 ( 1.983 2.803 -0.435) 3.462 2.688 ( -5.130 0.941 -1.127) 5.336 2.688 ( 5.130 0.941 -1.127) 5.336 2.967 ( -4.981 -8.090 5.760) 11.110 2.967 ( 4.981 -8.090 5.760) 11.110 3.235 ( -1.090 3.496 1.777) 4.070 3.235 ( 1.090 3.496 1.777) 4.070 3.426 ( -0.657 1.269 4.514) 4.735 3.426 ( 0.657 1.269 4.514) 4.735 4.574 ( -4.557 4.596 2.803) 7.053 4.574 ( 4.557 4.596 2.803) 7.053 5.079 ( -6.613 -3.954 -5.365) 9.389 5.079 ( 6.613 -3.954 -5.365) 9.389 5.832 ( -9.585 3.675 0.206) 10.268 5.832 ( 9.585 3.675 0.206) 10.268 6.102 ( -5.651 7.096 11.209) 14.420 6.102 ( 5.651 7.096 11.209) 14.420 6.562 ( -10.888 -6.822 6.951) 14.609 6.562 ( 10.888 -6.822 6.951) 14.609 6.992 ( -15.389 -4.872 -5.837) 17.165 6.992 ( 15.389 -4.872 -5.837) 17.165 7.703 ( -20.991 -3.106 8.262) 22.771 7.703 ( 20.991 -3.106 8.262) 22.771 8.202 ( -19.666 13.275 -3.635) 24.004 8.202 ( 19.666 13.275 -3.635) 24.004 8.341 ( -4.488 -3.677 2.849) 6.464 8.341 ( 4.488 -3.677 2.849) 6.464 9.084 ( -9.727 -9.422 4.476) 14.262 9.084 ( 9.727 -9.422 4.476) 14.262 9.836 ( -4.832 -2.541 9.416) 10.885 9.836 ( 4.832 -2.541 9.416) 10.885 10.401 ( -3.589 9.224 4.815) 11.007 10.401 ( 3.589 9.224 4.815) 11.007 10.541 ( -6.487 4.068 5.838) 9.629 10.541 ( 6.487 4.068 5.838) 9.629 11.116 ( -4.577 -4.390 20.209) 21.180 11.116 ( 4.577 -4.390 20.209) 21.180 11.885 ( -9.009 -1.256 3.298) 9.676 11.885 ( 9.009 -1.256 3.298) 9.676 12.756 ( -1.406 1.463 -1.363) 2.444 12.756 ( 1.406 1.463 -1.363) 2.444 12.858 ( -6.934 -2.089 -1.398) 7.375 12.858 ( 6.934 -2.089 -1.398) 7.375 14.942 ( -8.277 1.104 -1.102) 8.423 14.942 ( 8.277 1.104 -1.102) 8.423 15.435 ( -8.618 -0.200 0.109) 8.621 15.435 ( 8.618 -0.200 0.109) 8.621 19.742 ( -14.318 -2.299 4.462) 15.173 19.742 ( 14.318 -2.299 4.462) 15.173 20.409 ( -12.411 1.740 -1.504) 12.622 20.409 ( 12.411 1.740 -1.504) 12.622 ======================= Grid point 243 (86/105) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.000 -12.633 12.831) 18.006 2.243 ( 0.000 12.633 12.831) 18.006 2.651 ( 0.000 -4.593 6.768) 8.179 2.651 ( 0.000 4.593 6.768) 8.179 2.991 ( 0.000 -8.645 2.979) 9.143 2.991 ( 0.000 8.645 2.979) 9.143 3.206 ( 0.000 -0.816 2.784) 2.902 3.206 ( 0.000 0.816 2.784) 2.902 3.406 ( 0.000 -7.629 2.062) 7.903 3.406 ( 0.000 7.629 2.062) 7.903 3.583 ( 0.000 -5.708 5.683) 8.055 3.583 ( 0.000 5.708 5.683) 8.055 4.453 ( 0.000 -4.022 -1.417) 4.265 4.453 ( 0.000 4.022 -1.417) 4.265 4.756 ( 0.000 -4.121 -11.834) 12.531 4.756 ( 0.000 4.121 -11.834) 12.531 5.141 ( 0.000 -2.505 7.358) 7.773 5.141 ( 0.000 2.505 7.358) 7.773 5.856 ( 0.000 -16.179 -1.558) 16.254 5.856 ( 0.000 16.179 -1.558) 16.254 6.443 ( 0.000 -4.587 10.532) 11.488 6.443 ( 0.000 4.587 10.532) 11.488 6.692 ( 0.000 -25.469 -1.711) 25.527 6.692 ( 0.000 25.469 -1.711) 25.527 7.933 ( 0.000 -12.566 10.236) 16.207 7.933 ( 0.000 12.566 10.236) 16.207 8.281 ( 0.000 -17.118 11.490) 20.617 8.281 ( 0.000 17.118 11.490) 20.617 8.836 ( 0.000 -16.068 -4.311) 16.636 8.836 ( 0.000 16.068 -4.311) 16.636 9.257 ( 0.000 -6.589 -9.393) 11.473 9.257 ( 0.000 6.589 -9.393) 11.473 9.776 ( 0.000 -7.491 18.029) 19.524 9.776 ( 0.000 7.491 18.029) 19.524 10.056 ( 0.000 -4.764 10.890) 11.887 10.056 ( 0.000 4.764 10.890) 11.887 10.382 ( 0.000 -3.021 0.109) 3.023 10.382 ( 0.000 3.021 0.109) 3.023 10.793 ( 0.000 -7.145 -3.140) 7.805 10.793 ( 0.000 7.145 -3.140) 7.805 11.601 ( 0.000 -19.590 3.365) 19.877 11.601 ( 0.000 19.590 3.365) 19.877 12.663 ( 0.000 -1.171 -5.481) 5.604 12.663 ( 0.000 1.171 -5.481) 5.604 13.176 ( 0.000 -10.062 21.243) 23.506 13.176 ( 0.000 10.062 21.243) 23.506 14.663 ( 0.000 -6.837 -0.606) 6.864 14.663 ( 0.000 6.837 -0.606) 6.864 16.520 ( 0.000 -0.871 -2.224) 2.388 16.520 ( 0.000 0.871 -2.224) 2.388 18.321 ( 0.000 -12.944 -2.476) 13.178 18.321 ( 0.000 12.944 -2.476) 13.178 20.997 ( 0.000 -1.161 -2.321) 2.595 20.997 ( 0.000 1.161 -2.321) 2.595 ======================= Grid point 245 (87/105) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 1.216 -10.804 12.774) 16.774 2.259 ( 1.216 10.804 12.774) 16.774 2.608 ( -3.214 -3.585 5.804) 7.541 2.608 ( -3.214 3.585 5.804) 7.541 2.959 ( -3.216 -7.065 2.549) 8.171 2.959 ( -3.216 7.065 2.549) 8.171 3.138 ( -5.582 -1.716 2.538) 6.368 3.138 ( -5.582 1.716 2.538) 6.368 3.428 ( 1.100 -6.540 1.855) 6.886 3.428 ( 1.100 6.540 1.855) 6.886 3.581 ( -0.704 -5.006 3.943) 6.411 3.581 ( -0.704 5.006 3.943) 6.411 4.509 ( 4.286 -1.803 -1.085) 4.775 4.509 ( 4.286 1.803 -1.085) 4.775 4.840 ( 7.085 -4.814 -9.232) 12.594 4.840 ( 7.085 4.814 -9.232) 12.594 5.206 ( 7.371 -7.937 7.346) 13.087 5.206 ( 7.371 7.937 7.346) 13.087 5.730 ( -7.924 -14.368 -6.160) 17.527 5.730 ( -7.924 14.368 -6.160) 17.527 6.473 ( 2.901 -5.296 10.880) 12.443 6.473 ( 2.901 5.296 10.880) 12.443 6.928 ( 17.622 -24.026 3.426) 29.992 6.928 ( 17.622 24.026 3.426) 29.992 7.830 ( -9.358 -15.844 3.025) 18.648 7.830 ( -9.358 15.844 3.025) 18.648 8.106 ( -11.577 -20.273 14.123) 27.285 8.106 ( -11.577 20.273 14.123) 27.285 8.895 ( 0.661 -10.182 -2.752) 10.568 8.895 ( 0.661 10.182 -2.752) 10.568 9.361 ( 7.538 -8.319 -8.022) 13.797 9.361 ( 7.538 8.319 -8.022) 13.797 9.717 ( -2.668 -8.997 11.881) 15.140 9.717 ( -2.668 8.997 11.881) 15.140 10.144 ( 3.671 -2.151 10.782) 11.591 10.144 ( 3.671 2.151 10.782) 11.591 10.238 ( -5.163 -3.951 3.948) 7.606 10.238 ( -5.163 3.951 3.948) 7.606 10.936 ( 8.914 -6.170 4.004) 11.557 10.936 ( 8.914 6.170 4.004) 11.557 11.628 ( 2.584 -18.861 -0.372) 19.041 11.628 ( 2.584 18.861 -0.372) 19.041 12.672 ( 0.904 -1.217 -4.748) 4.984 12.672 ( 0.904 1.217 -4.748) 4.984 13.135 ( -3.747 -10.360 18.990) 21.954 13.135 ( -3.747 10.360 18.990) 21.954 14.695 ( 2.911 -6.959 -0.837) 7.590 14.695 ( 2.911 6.959 -0.837) 7.590 16.322 ( -16.426 -4.027 -1.562) 16.984 16.322 ( -16.426 4.027 -1.562) 16.984 18.542 ( 18.656 -12.302 -1.770) 22.417 18.542 ( 18.656 12.302 -1.770) 22.417 20.948 ( -4.655 -3.797 -1.927) 6.309 20.948 ( -4.655 3.797 -1.927) 6.309 ======================= Grid point 247 (88/105) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -0.486 -4.043 10.277) 11.055 2.271 ( -0.486 4.043 10.277) 11.055 2.567 ( 0.144 -1.794 3.338) 3.792 2.567 ( 0.144 1.794 3.338) 3.792 2.855 ( -6.198 -3.713 1.125) 7.313 2.855 ( -6.198 3.713 1.125) 7.313 3.015 ( -5.609 -5.225 2.669) 8.117 3.015 ( -5.609 5.225 2.669) 8.117 3.412 ( -2.873 -4.188 1.781) 5.382 3.412 ( -2.873 4.188 1.781) 5.382 3.540 ( -2.993 -3.237 1.559) 4.676 3.540 ( -2.993 3.237 1.559) 4.676 4.586 ( 2.695 -7.282 0.717) 7.798 4.586 ( 2.695 7.282 0.717) 7.798 4.981 ( 4.709 -8.869 -2.692) 10.396 4.981 ( 4.709 8.869 -2.692) 10.396 5.468 ( 14.487 -4.677 1.807) 15.330 5.468 ( 14.487 4.677 1.807) 15.330 5.675 ( 6.341 -10.009 -6.289) 13.414 5.675 ( 6.341 10.009 -6.289) 13.414 6.556 ( 4.297 -2.222 11.684) 12.646 6.556 ( 4.297 2.222 11.684) 12.646 7.186 ( 0.200 -17.598 7.789) 19.246 7.186 ( 0.200 17.598 7.789) 19.246 7.688 ( 0.084 -12.893 -0.876) 12.923 7.688 ( 0.084 12.893 -0.876) 12.923 7.899 ( -4.828 -19.744 8.324) 21.964 7.899 ( -4.828 19.744 8.324) 21.964 8.809 ( -8.440 -1.619 0.344) 8.601 8.809 ( -8.440 1.619 0.344) 8.601 9.365 ( -8.785 -2.793 -4.413) 10.220 9.365 ( -8.785 2.793 -4.413) 10.220 9.717 ( 2.042 -6.052 8.731) 10.818 9.717 ( 2.042 6.052 8.731) 10.818 10.216 ( 10.789 -10.141 3.313) 15.173 10.216 ( 10.789 10.141 3.313) 15.173 10.322 ( 6.051 -5.715 12.505) 15.022 10.322 ( 6.051 5.715 12.505) 15.022 11.072 ( 3.389 -4.662 13.677) 14.841 11.072 ( 3.389 4.662 13.677) 14.841 11.708 ( 4.878 -15.368 -4.491) 16.737 11.708 ( 4.878 15.368 -4.491) 16.737 12.701 ( 1.800 -0.947 -3.287) 3.865 12.701 ( 1.800 0.947 -3.287) 3.865 13.029 ( -5.962 -10.033 12.667) 17.224 13.029 ( -5.962 10.033 12.667) 17.224 14.778 ( 4.844 -7.169 -1.300) 8.750 14.778 ( 4.844 7.169 -1.300) 8.750 15.933 ( -18.718 -6.718 -0.394) 19.891 15.933 ( -18.718 6.718 -0.394) 19.891 19.003 ( 23.440 -11.535 0.201) 26.125 19.003 ( 23.440 11.535 0.201) 26.125 20.804 ( -8.989 -6.600 -1.105) 11.206 20.804 ( -8.989 6.600 -1.105) 11.206 ======================= Grid point 249 (89/105) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -0.484 -1.397 2.041) 2.520 2.254 ( -0.484 1.397 2.041) 2.520 2.601 ( 1.667 -3.868 1.374) 4.430 2.601 ( 1.667 3.868 1.374) 4.430 2.746 ( -2.642 -4.148 1.106) 5.041 2.746 ( -2.642 4.148 1.106) 5.041 2.900 ( -5.393 -6.357 3.983) 9.239 2.900 ( -5.393 6.357 3.983) 9.239 3.329 ( -3.993 -1.767 1.174) 4.521 3.329 ( -3.993 1.767 1.174) 4.521 3.472 ( -2.951 -1.381 2.172) 3.915 3.472 ( -2.951 1.381 2.172) 3.915 4.629 ( 1.452 -5.337 1.891) 5.846 4.629 ( 1.452 5.337 1.891) 5.846 5.022 ( -0.046 -7.126 -0.921) 7.185 5.022 ( -0.046 7.126 -0.921) 7.185 5.720 ( 11.561 -5.377 -2.855) 13.066 5.720 ( 11.561 5.377 -2.854) 13.066 5.991 ( 17.460 -6.667 5.562) 19.500 5.991 ( 17.460 6.667 5.562) 19.500 6.572 ( -5.072 -11.424 8.197) 14.948 6.572 ( -5.072 11.424 8.197) 14.948 7.038 ( -8.407 -12.346 -1.943) 15.062 7.038 ( -8.407 12.346 -1.943) 15.062 7.634 ( -1.201 -20.002 9.287) 22.085 7.634 ( -1.201 20.002 9.287) 22.085 8.092 ( 15.196 -11.666 -0.983) 19.183 8.092 ( 15.196 11.666 -0.983) 19.183 8.572 ( -12.405 -6.798 -0.881) 14.173 8.572 ( -12.405 6.798 -0.881) 14.173 9.100 ( -13.673 -12.846 1.444) 18.816 9.100 ( -13.673 12.846 1.444) 18.816 9.790 ( 3.983 -4.785 13.436) 14.808 9.790 ( 3.983 4.785 13.436) 14.808 10.384 ( 2.688 -2.573 13.466) 13.971 10.384 ( 2.688 2.573 13.466) 13.971 10.539 ( 13.713 -13.084 -1.557) 19.018 10.539 ( 13.713 13.084 -1.557) 19.018 11.076 ( -2.569 -6.341 14.983) 16.472 11.076 ( -2.569 6.341 14.983) 16.472 11.815 ( 4.571 -9.009 1.409) 10.200 11.815 ( 4.571 9.009 1.409) 10.200 12.745 ( 2.259 -0.486 -1.961) 3.031 12.745 ( 2.259 0.486 -1.961) 3.031 12.902 ( -5.717 -7.181 3.878) 9.965 12.902 ( -5.717 7.181 3.878) 9.965 14.888 ( 5.174 -6.318 -1.583) 8.319 14.888 ( 5.174 6.318 -1.583) 8.319 15.587 ( -13.206 -6.546 0.251) 14.742 15.587 ( -13.206 6.546 0.251) 14.742 19.469 ( 19.395 -9.510 2.812) 21.783 19.469 ( 19.395 9.510 2.812) 21.783 20.585 ( -11.002 -7.304 -0.861) 13.234 20.585 ( -11.002 7.304 -0.861) 13.234 ======================= Grid point 251 (90/105) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 0.000 -0.000 -3.280) 3.280 2.252 ( 0.000 0.000 -3.280) 3.280 2.605 ( 0.000 0.000 -1.094) 1.094 2.605 ( 0.000 0.000 -1.094) 1.094 2.759 ( 0.000 -0.000 2.717) 2.717 2.759 ( 0.000 -0.000 2.717) 2.717 2.812 ( -0.000 0.000 5.740) 5.740 2.812 ( 0.000 0.000 5.740) 5.740 3.282 ( 0.000 -0.000 0.757) 0.757 3.282 ( 0.000 -0.000 0.757) 0.757 3.438 ( 0.000 0.000 3.156) 3.156 3.438 ( 0.000 0.000 3.156) 3.156 4.645 ( 0.000 0.000 2.128) 2.128 4.645 ( 0.000 0.000 2.128) 2.128 5.016 ( 0.000 -0.000 -1.507) 1.507 5.016 ( 0.000 0.000 -1.507) 1.507 5.883 ( -0.000 0.000 6.410) 6.410 5.883 ( 0.000 0.000 6.410) 6.410 6.236 ( 0.000 0.000 8.244) 8.244 6.236 ( 0.000 0.000 8.244) 8.244 6.433 ( 0.000 -0.000 -0.108) 0.108 6.433 ( 0.000 0.000 -0.108) 0.108 6.925 ( 0.000 0.000 -6.528) 6.528 6.925 ( 0.000 0.000 -6.528) 6.528 7.674 ( 0.000 0.000 9.528) 9.528 7.674 ( 0.000 0.000 9.528) 9.528 8.257 ( 0.000 0.000 4.565) 4.565 8.257 ( 0.000 0.000 4.565) 4.565 8.441 ( -0.000 -0.000 -10.898) 10.898 8.441 ( -0.000 0.000 -10.898) 10.898 8.910 ( 0.000 0.000 7.941) 7.941 8.910 ( 0.000 0.000 7.941) 7.941 9.839 ( 0.000 0.000 15.152) 15.152 9.839 ( 0.000 0.000 15.152) 15.152 10.408 ( 0.000 0.000 12.386) 12.386 10.408 ( 0.000 0.000 12.386) 12.386 10.718 ( 0.000 0.000 -1.726) 1.726 10.718 ( 0.000 0.000 -1.726) 1.726 11.021 ( -0.000 -0.000 13.359) 13.359 11.021 ( -0.000 0.000 13.359) 13.359 11.869 ( 0.000 -0.000 7.165) 7.165 11.869 ( -0.000 0.000 7.165) 7.165 12.792 ( -0.000 0.000 4.644) 4.644 12.792 ( 0.000 0.000 4.644) 4.644 12.814 ( -0.000 -0.000 -7.163) 7.163 12.814 ( 0.000 -0.000 -7.163) 7.163 14.957 ( -0.000 -0.000 -1.648) 1.648 14.957 ( 0.000 0.000 -1.648) 1.648 15.432 ( 0.000 0.000 0.376) 0.376 15.432 ( 0.000 0.000 0.376) 0.376 19.712 ( -0.000 0.000 4.859) 4.859 19.712 ( 0.000 0.000 4.859) 4.859 20.432 ( 0.000 0.000 -1.722) 1.722 20.432 ( 0.000 0.000 -1.722) 1.722 ======================= Grid point 270 (91/105) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.000 0.000 1.160) 1.160 2.663 ( 0.000 0.000 3.262) 3.262 2.760 ( 0.000 0.000 3.769) 3.769 2.779 ( 0.000 0.000 -0.523) 0.523 2.957 ( 0.000 0.000 1.837) 1.837 3.023 ( 0.000 0.000 1.911) 1.911 3.293 ( 0.000 0.000 0.915) 0.915 3.366 ( 0.000 0.000 2.310) 2.310 3.430 ( 0.000 0.000 1.318) 1.318 3.439 ( 0.000 0.000 1.709) 1.709 3.675 ( 0.000 0.000 1.855) 1.855 4.089 ( 0.000 0.000 -2.735) 2.735 4.092 ( 0.000 0.000 6.772) 6.772 4.257 ( 0.000 0.000 -0.500) 0.500 4.891 ( 0.000 0.000 1.339) 1.339 4.988 ( 0.000 0.000 -2.491) 2.491 5.157 ( 0.000 0.000 0.157) 0.157 5.292 ( 0.000 0.000 -0.774) 0.774 5.306 ( 0.000 0.000 -5.376) 5.376 5.405 ( 0.000 0.000 -0.242) 0.242 6.548 ( 0.000 0.000 3.557) 3.557 6.680 ( 0.000 0.000 6.608) 6.608 6.819 ( 0.000 0.000 1.129) 1.129 7.325 ( 0.000 0.000 -4.598) 4.598 7.419 ( 0.000 0.000 1.708) 1.708 7.993 ( 0.000 0.000 4.707) 4.707 8.259 ( 0.000 0.000 -1.241) 1.241 8.612 ( 0.000 0.000 8.185) 8.185 8.643 ( 0.000 0.000 1.746) 1.746 9.110 ( 0.000 0.000 3.439) 3.439 9.203 ( 0.000 0.000 -2.772) 2.772 9.311 ( 0.000 0.000 -3.043) 3.043 9.877 ( 0.000 0.000 -0.520) 0.520 10.056 ( 0.000 0.000 -2.228) 2.228 10.072 ( 0.000 0.000 2.554) 2.554 10.177 ( 0.000 0.000 1.554) 1.554 10.249 ( 0.000 0.000 0.053) 0.053 10.351 ( 0.000 0.000 -0.435) 0.435 10.733 ( 0.000 0.000 9.713) 9.713 10.931 ( 0.000 0.000 0.132) 0.132 11.192 ( 0.000 0.000 1.323) 1.323 12.513 ( 0.000 0.000 -3.267) 3.267 12.577 ( 0.000 0.000 4.136) 4.136 12.606 ( 0.000 0.000 3.328) 3.328 12.772 ( 0.000 0.000 0.395) 0.395 13.851 ( 0.000 0.000 13.016) 13.016 14.480 ( 0.000 0.000 -1.146) 1.146 14.889 ( 0.000 0.000 -0.058) 0.058 16.469 ( 0.000 0.000 -0.804) 0.804 16.508 ( 0.000 0.000 -1.210) 1.210 17.725 ( 0.000 0.000 -6.788) 6.788 18.751 ( 0.000 0.000 2.224) 2.224 20.936 ( 0.000 0.000 -2.369) 2.369 20.973 ( 0.000 0.000 0.416) 0.416 ======================= Grid point 271 (92/105) ======================= q-point: ( 0.12 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 5.364 0.000 0.653) 5.403 2.601 ( -5.583 0.000 3.271) 6.470 2.729 ( -2.993 0.000 0.357) 3.014 2.795 ( 1.233 0.000 2.418) 2.714 2.883 ( -6.362 0.000 1.946) 6.653 2.948 ( -7.127 0.000 1.920) 7.381 3.205 ( -7.250 0.000 0.666) 7.280 3.348 ( -1.637 0.000 1.521) 2.234 3.408 ( -2.077 0.000 1.317) 2.459 3.466 ( 0.737 0.000 1.715) 1.866 3.663 ( -1.450 0.000 1.981) 2.455 3.938 ( -11.555 0.000 5.095) 12.629 4.251 ( 13.549 0.000 -2.695) 13.814 4.294 ( 3.384 0.000 -0.462) 3.416 4.667 ( -13.305 0.000 -3.505) 13.759 4.913 ( 2.556 0.000 -2.010) 3.252 5.168 ( 5.800 0.000 0.442) 5.817 5.480 ( 15.245 0.000 -2.689) 15.480 5.739 ( 25.679 0.000 2.389) 25.790 5.783 ( 28.743 0.000 2.433) 28.846 6.295 ( -17.895 0.000 1.362) 17.946 6.599 ( -6.485 0.000 2.084) 6.812 6.823 ( -2.016 0.000 10.984) 11.168 7.168 ( -10.390 0.000 -12.129) 15.971 7.638 ( -13.628 0.000 6.228) 14.984 7.777 ( 17.296 0.000 1.356) 17.349 8.502 ( 13.747 0.000 -1.408) 13.819 8.507 ( -11.096 0.000 6.708) 12.966 8.811 ( 14.357 0.000 3.373) 14.748 9.067 ( -12.472 0.000 4.869) 13.389 9.087 ( -9.743 0.000 -2.768) 10.128 9.210 ( 0.645 0.000 -4.656) 4.701 9.574 ( -19.904 0.000 -1.449) 19.956 10.106 ( 5.096 0.000 -0.131) 5.098 10.189 ( -0.468 0.000 3.313) 3.346 10.310 ( 9.371 0.000 0.022) 9.371 10.311 ( 1.325 0.000 3.124) 3.393 10.368 ( 8.272 0.000 0.620) 8.295 10.752 ( 5.604 0.000 3.892) 6.823 11.149 ( 15.783 0.000 3.167) 16.097 11.202 ( 1.397 0.000 2.196) 2.603 12.533 ( 1.586 0.000 -2.419) 2.893 12.564 ( -0.889 0.000 2.812) 2.950 12.611 ( -0.178 0.000 4.725) 4.728 12.716 ( -4.630 0.000 -1.358) 4.825 13.773 ( -7.225 0.000 11.875) 13.900 14.507 ( 2.517 0.000 -1.155) 2.769 14.928 ( 3.665 0.000 -0.189) 3.670 16.132 ( -23.455 0.000 -1.485) 23.502 16.383 ( -13.006 0.000 -0.655) 13.023 18.070 ( 27.001 0.000 -4.879) 27.438 18.951 ( 17.405 0.000 1.490) 17.469 20.810 ( -8.993 0.000 -0.680) 9.019 20.995 ( -0.887 0.000 -0.856) 1.233 ======================= Grid point 272 (93/105) ======================= q-point: ( 0.25 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 8.886 0.000 -0.349) 8.893 2.454 ( -7.402 0.000 3.152) 8.045 2.625 ( -8.248 0.000 -0.721) 8.279 2.711 ( -9.131 0.000 0.462) 9.143 2.730 ( -7.211 0.000 1.238) 7.317 2.855 ( 0.288 0.000 2.138) 2.158 3.060 ( -5.068 0.000 0.996) 5.165 3.303 ( -2.487 0.000 0.761) 2.601 3.345 ( -3.837 0.000 1.345) 4.066 3.423 ( -4.834 0.000 1.225) 4.987 3.606 ( -3.726 0.000 2.282) 4.370 3.692 ( -10.177 0.000 3.211) 10.671 4.382 ( 4.413 0.000 2.309) 4.981 4.534 ( 9.846 0.000 -1.834) 10.015 4.554 ( 2.278 0.000 -6.338) 6.735 5.009 ( 6.403 0.000 -4.224) 7.671 5.477 ( 23.396 0.000 1.784) 23.463 5.860 ( 1.195 0.000 0.078) 1.198 5.916 ( 4.524 0.000 2.724) 5.281 6.247 ( 8.295 0.000 8.868) 12.143 6.407 ( 33.545 0.000 0.933) 33.558 6.441 ( -10.180 0.000 0.146) 10.181 6.713 ( 1.516 0.000 12.154) 12.248 7.093 ( 2.774 0.000 -16.123) 16.360 7.211 ( -20.104 0.000 1.351) 20.150 8.188 ( -18.238 0.000 2.787) 18.450 8.287 ( 22.225 0.000 15.344) 27.007 8.695 ( -18.336 0.000 3.046) 18.587 8.745 ( 7.782 0.000 -13.242) 15.359 8.824 ( -12.719 0.000 -0.257) 12.721 9.071 ( -15.992 0.000 4.558) 16.628 9.174 ( 5.030 0.000 -1.365) 5.212 9.305 ( 7.398 0.000 -2.543) 7.823 10.119 ( -4.889 0.000 3.030) 5.752 10.269 ( 9.212 0.000 6.021) 11.005 10.276 ( -2.950 0.000 -0.742) 3.042 10.459 ( 3.882 0.000 -3.464) 5.202 10.589 ( 9.575 0.000 7.253) 12.012 10.976 ( 14.617 0.000 1.002) 14.651 11.278 ( 6.153 0.000 4.625) 7.697 11.489 ( 14.968 0.000 5.487) 15.942 12.498 ( -10.583 0.000 4.431) 11.473 12.548 ( 1.156 0.000 2.538) 2.789 12.588 ( 2.739 0.000 -3.584) 4.511 12.677 ( 0.921 0.000 -2.201) 2.386 13.559 ( -12.721 0.000 9.107) 15.645 14.583 ( 4.703 0.000 -1.204) 4.855 15.039 ( 6.762 0.000 -0.426) 6.776 15.630 ( -22.778 0.000 -1.063) 22.803 16.052 ( -16.929 0.000 -0.439) 16.935 18.692 ( 30.296 0.000 -2.045) 30.365 19.402 ( 23.894 0.000 0.250) 23.895 20.574 ( -13.439 0.000 0.304) 13.442 20.916 ( -6.751 0.000 -0.872) 6.807 ======================= Grid point 273 (94/105) ======================= q-point: ( 0.38 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -0.831 0.000 0.567) 1.005 2.387 ( 6.106 0.000 0.203) 6.109 2.403 ( -9.619 0.000 -1.178) 9.691 2.584 ( -4.181 0.000 -0.301) 4.192 2.613 ( -3.263 0.000 -0.096) 3.264 2.794 ( -6.312 0.000 -0.308) 6.320 3.045 ( 3.230 0.000 2.030) 3.815 3.251 ( -5.004 0.000 1.472) 5.216 3.251 ( -2.171 0.000 1.096) 2.432 3.300 ( -5.456 0.000 1.085) 5.563 3.528 ( -3.136 0.000 2.577) 4.059 3.541 ( -4.422 0.000 2.676) 5.169 4.487 ( 5.681 0.000 5.424) 7.855 4.636 ( 0.751 0.000 0.652) 0.994 4.703 ( 10.544 0.000 -8.908) 13.803 5.129 ( 1.467 0.000 -3.738) 4.015 5.583 ( -6.983 0.000 -1.339) 7.110 6.030 ( 23.234 0.000 3.787) 23.541 6.057 ( -18.320 0.000 -0.421) 18.325 6.285 ( -2.149 0.000 8.618) 8.882 6.407 ( 25.837 0.000 1.801) 25.900 6.858 ( -9.330 0.000 1.657) 9.476 6.906 ( 5.469 0.000 14.376) 15.381 7.153 ( 34.261 0.000 1.046) 34.277 7.190 ( 2.972 0.000 -14.782) 15.078 7.821 ( -12.243 0.000 -1.308) 12.312 8.273 ( -19.277 0.000 0.436) 19.282 8.500 ( -26.313 0.000 -0.872) 26.327 8.536 ( -0.005 0.000 12.533) 12.533 8.601 ( -11.871 0.000 2.333) 12.098 8.992 ( 16.029 0.000 -8.138) 17.976 9.360 ( 3.957 0.000 5.877) 7.085 9.530 ( 13.023 0.000 -5.249) 14.041 9.998 ( -6.935 0.000 -4.068) 8.040 10.213 ( -1.674 0.000 2.134) 2.713 10.359 ( -2.756 0.000 7.193) 7.703 10.564 ( 8.087 0.000 -1.313) 8.193 10.728 ( 3.042 0.000 6.113) 6.828 11.320 ( 16.549 0.000 5.208) 17.349 11.437 ( 7.724 0.000 7.682) 10.894 11.724 ( 7.248 0.000 5.192) 8.915 12.224 ( -14.995 0.000 2.075) 15.138 12.634 ( 4.772 0.000 0.392) 4.788 12.664 ( 7.174 0.000 -2.199) 7.503 12.697 ( 0.445 0.000 -1.826) 1.879 13.257 ( -15.625 0.000 5.859) 16.687 14.708 ( 7.318 0.000 -1.244) 7.423 15.206 ( -17.367 0.000 -0.895) 17.390 15.208 ( 9.274 0.000 -0.501) 9.288 15.712 ( -14.975 0.000 -0.315) 14.978 19.301 ( 27.152 0.000 0.170) 27.153 19.908 ( 23.480 0.000 -0.514) 23.485 20.245 ( -17.810 0.000 1.063) 17.842 20.707 ( -13.225 0.000 -0.767) 13.248 ======================= Grid point 274 (95/105) ======================= q-point: (-0.50 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -2.475 0.000 -0.362) 2.502 2.273 ( 2.475 0.000 -0.362) 2.502 2.515 ( -3.214 0.000 -0.569) 3.264 2.515 ( 3.214 0.000 -0.569) 3.264 2.642 ( -6.573 0.000 -1.103) 6.665 2.642 ( 6.573 0.000 -1.103) 6.665 3.141 ( -5.225 0.000 1.773) 5.518 3.141 ( 5.225 0.000 1.773) 5.518 3.232 ( -0.855 0.000 1.376) 1.620 3.232 ( 0.855 0.000 1.376) 1.620 3.494 ( -0.178 0.000 2.677) 2.683 3.494 ( 0.178 0.000 2.677) 2.683 4.596 ( -4.052 0.000 3.939) 5.651 4.596 ( 4.052 0.000 3.939) 5.651 4.965 ( -13.229 0.000 -6.202) 14.610 4.965 ( 13.229 0.000 -6.202) 14.610 5.697 ( -14.231 0.000 -2.434) 14.438 5.697 ( 14.231 0.000 -2.434) 14.438 6.273 ( -1.253 0.000 7.752) 7.853 6.273 ( 1.253 0.000 7.752) 7.853 6.841 ( -9.086 0.000 7.865) 12.017 6.841 ( 9.086 0.000 7.865) 12.017 6.964 ( -21.246 0.000 -4.829) 21.788 6.964 ( 21.246 0.000 -4.829) 21.788 7.845 ( -19.283 0.000 2.464) 19.440 7.845 ( 19.283 0.000 2.464) 19.440 7.912 ( -2.115 0.000 -4.249) 4.746 7.912 ( 2.115 0.000 -4.249) 4.746 8.496 ( -0.316 0.000 2.871) 2.888 8.496 ( 0.316 0.000 2.871) 2.888 9.290 ( -10.099 0.000 5.250) 11.382 9.290 ( 10.099 0.000 5.250) 11.382 9.801 ( -11.815 0.000 -8.906) 14.795 9.801 ( 11.815 0.000 -8.906) 14.795 10.254 ( -5.089 0.000 4.616) 6.871 10.254 ( 5.089 0.000 4.616) 6.871 10.710 ( -4.486 0.000 3.951) 5.978 10.710 ( 4.486 0.000 3.951) 5.978 11.536 ( -0.878 0.000 10.839) 10.875 11.536 ( 0.878 0.000 10.839) 10.875 11.905 ( -13.316 0.000 0.110) 13.316 11.905 ( 13.316 0.000 0.110) 13.316 12.687 ( -1.413 0.000 -2.083) 2.517 12.687 ( 1.413 0.000 -2.083) 2.517 12.925 ( -15.232 0.000 2.634) 15.458 12.925 ( 15.232 0.000 2.634) 15.458 14.903 ( -11.589 0.000 -1.116) 11.642 14.903 ( 11.589 0.000 -1.116) 11.642 15.430 ( -11.889 0.000 -0.379) 11.895 15.430 ( 11.889 0.000 -0.379) 11.895 19.823 ( -22.439 0.000 1.167) 22.469 19.823 ( 22.439 0.000 1.167) 22.469 20.363 ( -19.333 0.000 -0.722) 19.346 20.363 ( 19.333 0.000 -0.722) 19.346 ======================= Grid point 279 (96/105) ======================= q-point: ( 0.00 0.25 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 12.855 1.992) 13.008 2.676 ( 0.000 1.569 2.532) 2.979 2.677 ( 0.000 -8.361 4.531) 9.510 2.844 ( 0.000 -6.358 2.097) 6.695 2.854 ( 0.000 6.668 0.811) 6.717 3.100 ( 0.000 3.154 1.501) 3.493 3.277 ( 0.000 -1.429 0.917) 1.698 3.329 ( 0.000 0.505 1.003) 1.123 3.338 ( 0.000 -7.836 1.193) 7.927 3.538 ( 0.000 5.824 2.218) 6.232 3.613 ( 0.000 -6.452 1.364) 6.595 3.838 ( 0.000 -11.959 2.816) 12.286 4.216 ( 0.000 10.527 -2.182) 10.750 4.471 ( 0.000 7.244 2.145) 7.555 4.668 ( 0.000 -8.793 -2.826) 9.236 4.777 ( 0.000 -16.901 -4.717) 17.547 5.152 ( 0.000 1.270 0.943) 1.582 5.285 ( 0.000 10.897 8.057) 13.553 5.444 ( 0.000 7.666 -6.641) 10.143 5.985 ( 0.000 32.172 -1.702) 32.217 6.285 ( 0.000 -19.043 1.876) 19.135 6.643 ( 0.000 -3.055 5.562) 6.345 6.704 ( 0.000 -8.020 2.026) 8.272 7.185 ( 0.000 -19.800 0.641) 19.810 7.597 ( 0.000 20.244 -2.083) 20.351 8.134 ( 0.000 12.710 5.648) 13.908 8.430 ( 0.000 10.548 -0.654) 10.568 8.451 ( 0.000 -11.174 6.432) 12.893 8.735 ( 0.000 3.229 8.960) 9.524 8.986 ( 0.000 -6.753 -6.734) 9.537 9.084 ( 0.000 -10.478 -1.548) 10.592 9.247 ( 0.000 -5.924 -4.490) 7.433 9.919 ( 0.000 3.513 4.799) 5.947 10.043 ( 0.000 -1.228 1.091) 1.642 10.102 ( 0.000 2.479 2.162) 3.289 10.223 ( 0.000 -1.571 0.959) 1.841 10.249 ( 0.000 4.728 -1.605) 4.993 10.381 ( 0.000 1.194 -1.498) 1.916 10.735 ( 0.000 1.400 6.768) 6.911 10.897 ( 0.000 -3.115 0.585) 3.170 11.330 ( 0.000 12.320 2.538) 12.579 12.157 ( 0.000 -23.000 4.426) 23.421 12.532 ( 0.000 1.622 -3.138) 3.532 12.616 ( 0.000 -1.437 -2.311) 2.721 13.124 ( 0.000 19.233 6.476) 20.294 13.756 ( 0.000 -8.725 12.065) 14.889 14.520 ( 0.000 3.814 -1.151) 3.983 14.803 ( 0.000 -7.105 -0.570) 7.128 16.475 ( 0.000 0.514 -0.803) 0.954 16.502 ( 0.000 -0.485 -1.061) 1.166 17.895 ( 0.000 14.734 -5.175) 15.617 18.614 ( 0.000 -12.350 1.044) 12.394 20.947 ( 0.000 0.940 -1.884) 2.106 20.973 ( 0.000 -0.073 0.050) 0.089 ======================= Grid point 280 (97/105) ======================= q-point: ( 0.12 0.25 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 4.114 11.782 1.767) 12.604 2.615 ( -5.462 0.820 3.533) 6.556 2.701 ( 1.733 -7.378 3.684) 8.426 2.761 ( -5.741 -3.100 1.199) 6.634 2.835 ( -3.444 4.001 1.190) 5.412 3.027 ( -6.558 3.643 1.476) 7.646 3.182 ( -7.655 -1.983 0.515) 7.924 3.314 ( -2.331 -7.858 1.363) 8.309 3.344 ( 0.502 1.430 0.561) 1.616 3.529 ( -1.440 4.143 1.759) 4.726 3.612 ( -0.580 -5.143 1.421) 5.367 3.779 ( -5.358 -9.011 2.279) 10.728 4.352 ( 11.537 8.224 -2.228) 14.343 4.453 ( -0.535 7.938 2.708) 8.404 4.611 ( -0.655 0.030 -5.613) 5.651 4.973 ( 10.438 -11.762 -0.462) 15.732 5.173 ( 6.486 1.812 1.839) 6.981 5.251 ( 0.300 9.019 -4.216) 9.961 5.613 ( 16.585 -10.174 3.402) 19.752 6.047 ( -16.386 -18.414 -0.404) 24.653 6.314 ( 22.736 30.137 2.005) 37.805 6.595 ( -0.699 0.883 1.273) 1.700 6.769 ( 3.580 -6.067 6.231) 9.405 7.390 ( -10.616 15.315 -5.280) 19.368 7.500 ( 17.196 -15.904 5.039) 23.958 7.869 ( -17.755 16.272 1.986) 24.165 8.325 ( -11.636 -17.459 5.579) 21.711 8.596 ( 6.364 4.268 -0.699) 7.694 8.792 ( 0.468 -6.985 11.619) 13.565 8.961 ( 3.555 1.834 -4.551) 6.059 9.098 ( -1.174 -2.108 -2.257) 3.303 9.244 ( -1.014 2.567 -7.195) 7.706 9.677 ( -13.860 7.173 1.135) 15.648 9.995 ( -1.274 -7.186 1.555) 7.461 10.231 ( 3.033 -3.149 0.383) 4.389 10.265 ( 5.812 3.860 3.123) 7.644 10.304 ( -5.716 -2.818 1.691) 6.593 10.367 ( 10.795 0.079 2.252) 11.027 10.852 ( 10.643 7.687 3.044) 13.477 11.114 ( 15.615 -3.266 2.953) 16.224 11.327 ( 0.327 11.504 2.349) 11.746 12.133 ( -2.088 -22.730 3.546) 23.099 12.551 ( 1.742 1.476 -3.078) 3.832 12.629 ( 1.221 -1.358 -2.155) 2.824 13.068 ( -5.154 18.845 6.201) 20.497 13.681 ( -6.916 -8.432 11.104) 15.563 14.548 ( 2.543 3.834 -1.224) 4.761 14.836 ( 3.009 -7.499 -0.701) 8.110 16.194 ( -20.423 4.858 -1.111) 21.022 16.363 ( -13.542 -1.978 -0.680) 13.703 18.197 ( 24.347 11.302 -3.802) 27.110 18.817 ( 17.592 -11.812 0.663) 21.200 20.848 ( -7.344 3.180 -0.680) 8.032 20.976 ( -1.783 -1.753 -0.823) 2.633 ======================= Grid point 281 (98/105) ======================= q-point: ( 0.25 0.25 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 5.183 7.565 1.100) 9.236 2.459 ( -8.513 0.234 3.269) 9.122 2.626 ( -6.716 -3.748 0.844) 7.737 2.709 ( -6.212 6.887 0.087) 9.275 2.736 ( -1.138 -4.765 1.714) 5.190 2.874 ( -5.668 3.274 1.595) 6.737 3.025 ( -6.194 -2.402 0.636) 6.674 3.246 ( -4.011 -8.333 1.562) 9.379 3.331 ( -1.688 2.827 0.114) 3.295 3.454 ( -5.677 1.954 0.939) 6.077 3.576 ( -2.743 -2.683 1.592) 4.154 3.642 ( -6.547 -3.489 1.641) 7.598 4.474 ( 2.994 7.384 3.547) 8.722 4.587 ( 7.731 3.632 -1.603) 8.691 4.660 ( 4.901 9.498 -5.835) 12.177 5.075 ( 3.625 3.933 -2.198) 5.783 5.492 ( 21.932 -6.222 1.827) 22.871 5.524 ( 20.985 -10.175 -2.185) 23.424 5.690 ( -11.681 -13.492 0.883) 17.868 5.996 ( 13.146 -18.283 2.498) 22.657 6.646 ( 12.074 6.608 6.341) 15.154 6.717 ( -4.070 20.592 3.371) 21.260 6.847 ( 9.600 5.622 8.966) 14.288 7.170 ( 0.794 14.090 -10.473) 17.574 7.454 ( -17.838 21.100 0.440) 27.633 7.813 ( -5.291 -22.939 0.936) 23.560 8.165 ( 8.353 -17.733 6.378) 20.613 8.511 ( -11.039 -18.921 5.284) 22.534 8.803 ( -3.787 -0.140 -2.840) 4.735 8.858 ( -9.486 3.971 6.567) 12.202 9.047 ( -13.960 7.633 -11.075) 19.386 9.265 ( 7.552 6.503 1.388) 10.062 9.536 ( 3.226 13.275 -1.937) 13.798 10.031 ( 3.075 -8.376 4.057) 9.802 10.189 ( -2.433 -2.381 3.604) 4.958 10.363 ( 4.454 5.788 1.779) 7.517 10.405 ( 10.432 -6.538 -2.402) 12.544 10.579 ( 7.951 -1.848 5.249) 9.705 11.054 ( 6.344 8.630 2.940) 11.107 11.372 ( 7.334 4.485 7.421) 11.356 11.467 ( 14.250 0.745 1.840) 14.387 12.087 ( -1.573 -20.599 1.663) 20.726 12.600 ( 2.718 1.142 -3.097) 4.276 12.661 ( 1.671 -1.129 -1.982) 2.828 12.925 ( -7.741 17.213 5.137) 19.560 13.478 ( -12.075 -7.528 8.675) 16.665 14.624 ( 4.674 3.839 -1.347) 6.196 14.923 ( 4.971 -8.623 -0.963) 10.000 15.749 ( -20.160 8.693 -0.702) 21.965 16.023 ( -17.218 -2.891 -0.453) 17.465 18.773 ( 28.595 7.515 -1.527) 29.606 19.267 ( 23.417 -11.294 0.149) 25.999 20.651 ( -11.277 6.181 -0.007) 12.859 20.884 ( -7.157 -3.077 -0.784) 7.830 ======================= Grid point 282 (99/105) ======================= q-point: ( 0.38 0.25 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -2.380 -0.567 -0.111) 2.449 2.304 ( -5.199 -2.019 0.700) 5.621 2.538 ( 0.244 4.012 -0.012) 4.020 2.607 ( -2.014 6.169 -0.277) 6.495 2.655 ( -4.835 1.014 -0.018) 4.940 2.798 ( -4.638 1.349 0.591) 4.866 2.969 ( 1.698 -5.961 2.082) 6.539 3.151 ( -4.859 -8.240 1.985) 9.769 3.284 ( -2.296 2.667 0.341) 3.536 3.325 ( -5.335 1.806 0.642) 5.669 3.515 ( -2.461 -0.936 1.794) 3.186 3.533 ( -3.689 -0.915 1.681) 4.156 4.556 ( 4.316 5.506 3.855) 7.988 4.666 ( 0.559 1.895 0.550) 2.051 4.798 ( 7.798 8.263 -5.365) 12.564 5.131 ( -2.441 -1.472 -2.022) 3.495 5.530 ( 3.954 -1.234 -3.397) 5.357 5.940 ( 14.722 -11.917 4.412) 19.448 6.065 ( 22.430 -1.269 1.145) 22.495 6.220 ( 11.224 -6.052 2.237) 12.946 6.415 ( -11.265 12.652 5.754) 17.891 6.862 ( -5.666 -1.483 3.820) 6.993 6.942 ( -0.304 -1.646 3.906) 4.250 7.206 ( -13.929 -5.695 -4.951) 15.842 7.318 ( 16.496 15.680 1.839) 22.833 7.729 ( 11.684 4.698 -5.274) 13.653 8.235 ( -13.236 -16.751 8.191) 22.866 8.365 ( -1.894 -8.465 0.425) 8.684 8.528 ( -14.917 0.401 0.798) 14.944 8.611 ( -15.901 1.555 -0.273) 15.979 8.925 ( 7.337 1.370 -2.483) 7.866 9.332 ( -2.557 -4.397 4.594) 6.854 9.705 ( 9.981 11.860 -4.081) 16.029 10.037 ( -3.313 1.430 2.858) 4.603 10.238 ( 7.185 7.313 2.460) 10.543 10.479 ( 5.168 2.787 4.341) 7.302 10.562 ( 3.137 2.051 -4.456) 5.823 10.682 ( 1.795 -4.285 5.588) 7.267 11.174 ( 7.697 -4.722 4.082) 9.910 11.491 ( 0.146 -4.672 9.853) 10.905 11.740 ( 12.634 4.923 2.397) 13.769 12.089 ( 0.364 -9.107 3.346) 9.709 12.659 ( 2.628 0.649 -3.822) 4.683 12.690 ( 0.834 -0.592 -2.102) 2.337 12.797 ( -2.152 10.688 3.442) 11.433 13.194 ( -14.381 -5.774 5.672) 16.503 14.745 ( 6.866 3.444 -1.389) 7.806 15.010 ( 1.279 -8.548 -1.217) 8.728 15.414 ( -9.348 9.264 -0.358) 13.166 15.682 ( -14.608 -2.900 -0.313) 14.896 19.349 ( 25.386 4.583 0.358) 25.799 19.733 ( 18.574 -11.800 0.314) 22.007 20.394 ( -11.677 9.476 0.140) 15.039 20.674 ( -12.626 -3.121 -0.715) 13.026 ======================= Grid point 283 (100/105) ======================= q-point: (-0.50 0.25 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -0.775 -2.290 -0.848) 2.562 2.237 ( 0.775 -2.290 -0.848) 2.562 2.566 ( -2.143 2.644 -0.266) 3.414 2.566 ( 2.143 2.644 -0.266) 3.414 2.677 ( -5.855 4.317 -0.241) 7.278 2.677 ( 5.855 4.317 -0.241) 7.278 3.048 ( -4.781 -7.727 2.311) 9.376 3.048 ( 4.781 -7.727 2.311) 9.376 3.260 ( -0.687 2.158 0.684) 2.365 3.260 ( 0.687 2.158 0.684) 2.365 3.490 ( -0.328 -0.391 1.847) 1.917 3.490 ( 0.328 -0.391 1.847) 1.917 4.637 ( -2.950 3.054 2.685) 5.024 4.637 ( 2.950 3.054 2.685) 5.024 4.978 ( -9.116 0.825 -3.724) 9.882 4.978 ( 9.116 0.825 -3.724) 9.882 5.803 ( -17.437 9.171 -1.306) 19.745 5.803 ( 17.437 9.171 -1.306) 19.745 6.324 ( -4.594 4.203 8.007) 10.144 6.324 ( 4.594 4.203 8.007) 10.144 6.678 ( -17.942 -13.883 4.791) 23.186 6.678 ( 17.942 -13.883 4.791) 23.186 6.869 ( -6.570 -5.748 -5.953) 10.566 6.869 ( 6.570 -5.748 -5.953) 10.566 7.828 ( -24.886 -1.296 4.464) 25.317 7.828 ( 24.886 -1.296 4.464) 25.317 8.094 ( -18.659 12.760 -5.139) 23.182 8.094 ( 18.659 12.760 -5.139) 23.182 8.403 ( -4.133 -6.116 2.169) 7.694 8.403 ( 4.133 -6.116 2.169) 7.694 9.168 ( -11.779 -9.634 3.375) 15.587 9.168 ( 11.779 -9.634 3.375) 15.587 9.906 ( -8.492 8.601 -0.541) 12.099 9.906 ( 8.492 8.601 -0.541) 12.099 10.425 ( -8.433 12.710 0.499) 15.261 10.425 ( 8.433 12.710 0.499) 15.261 10.652 ( -4.290 -4.780 3.423) 7.278 10.652 ( 4.290 -4.780 3.423) 7.278 11.373 ( -9.396 -11.745 6.170) 16.257 11.373 ( 9.396 -11.745 6.170) 16.257 11.993 ( -9.801 5.188 5.072) 12.194 11.993 ( 9.801 5.188 5.072) 12.194 12.692 ( -0.678 0.397 -2.933) 3.036 12.692 ( 0.678 0.397 -2.933) 3.036 12.908 ( -11.441 -1.325 3.058) 11.917 12.908 ( 11.441 -1.325 3.058) 11.917 14.910 ( -8.385 0.561 -1.324) 8.508 14.910 ( 8.385 0.561 -1.324) 8.508 15.430 ( -8.573 0.022 -0.310) 8.578 15.430 ( 8.573 0.022 -0.310) 8.579 19.797 ( -14.716 -1.873 1.339) 14.895 19.797 ( 14.716 -1.873 1.339) 14.895 20.384 ( -12.513 1.485 -0.834) 12.628 20.384 ( 12.513 1.485 -0.834) 12.628 ======================= Grid point 288 (101/105) ======================= q-point: ( 0.00 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 0.000 -15.953 4.087) 16.469 2.406 ( 0.000 15.953 4.087) 16.469 2.735 ( 0.000 -3.917 2.055) 4.423 2.735 ( 0.000 3.917 2.055) 4.423 3.039 ( 0.000 -9.396 1.583) 9.529 3.039 ( 0.000 9.396 1.583) 9.529 3.242 ( 0.000 -0.970 0.924) 1.340 3.242 ( 0.000 0.970 0.924) 1.340 3.428 ( 0.000 -8.374 0.427) 8.385 3.428 ( 0.000 8.374 0.427) 8.385 3.662 ( 0.000 -6.121 2.193) 6.503 3.662 ( 0.000 6.121 2.193) 6.503 4.443 ( 0.000 -8.189 0.226) 8.192 4.443 ( 0.000 8.189 0.226) 8.192 4.587 ( 0.000 -2.145 -5.029) 5.467 4.587 ( 0.000 2.145 -5.029) 5.467 5.260 ( 0.000 -6.864 3.864) 7.877 5.260 ( 0.000 6.864 3.864) 7.877 5.824 ( 0.000 -21.660 -1.286) 21.698 5.824 ( 0.000 21.660 -1.286) 21.698 6.593 ( 0.000 -3.557 4.703) 5.897 6.593 ( 0.000 3.557 4.703) 5.897 6.664 ( 0.000 -25.933 -1.401) 25.970 6.664 ( 0.000 25.933 -1.401) 25.970 8.054 ( 0.000 -21.303 2.973) 21.509 8.054 ( 0.000 21.303 2.973) 21.509 8.475 ( 0.000 -16.884 6.032) 17.929 8.475 ( 0.000 16.884 6.032) 17.929 8.798 ( 0.000 -14.909 0.999) 14.942 8.798 ( 0.000 14.909 0.999) 14.942 9.077 ( 0.000 -9.299 -7.489) 11.939 9.077 ( 0.000 9.299 -7.489) 11.939 9.997 ( 0.000 -3.215 5.625) 6.479 9.997 ( 0.000 3.215 5.625) 6.479 10.165 ( 0.000 -3.198 1.526) 3.543 10.165 ( 0.000 3.198 1.526) 3.543 10.352 ( 0.000 -3.763 -2.175) 4.346 10.352 ( 0.000 3.763 -2.175) 4.346 10.809 ( 0.000 -4.674 2.378) 5.244 10.809 ( 0.000 4.674 2.378) 5.244 11.686 ( 0.000 -20.395 3.593) 20.709 11.686 ( 0.000 20.395 3.593) 20.709 12.575 ( 0.000 -2.192 -2.807) 3.561 12.575 ( 0.000 2.192 -2.807) 3.561 13.496 ( 0.000 -15.308 9.568) 18.052 13.496 ( 0.000 15.308 9.568) 18.052 14.640 ( 0.000 -7.253 -1.074) 7.332 14.640 ( 0.000 7.253 -1.074) 7.332 16.489 ( 0.000 -0.722 -0.867) 1.128 16.489 ( 0.000 0.722 -0.867) 1.128 18.270 ( 0.000 -18.611 -1.870) 18.705 18.270 ( 0.000 18.611 -1.870) 18.705 20.966 ( 0.000 -0.635 -0.863) 1.072 20.966 ( 0.000 0.635 -0.863) 1.072 ======================= Grid point 290 (102/105) ======================= q-point: ( 0.12 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 1.350 -14.770 4.231) 15.423 2.425 ( 1.350 14.770 4.231) 15.423 2.683 ( -4.427 -3.307 1.969) 5.866 2.683 ( -4.427 3.307 1.969) 5.866 2.996 ( -4.190 -7.986 1.120) 9.088 2.996 ( -4.190 7.986 1.120) 9.088 3.174 ( -5.504 -3.319 1.023) 6.509 3.174 ( -5.504 3.319 1.023) 6.509 3.442 ( 0.588 -7.503 0.067) 7.526 3.442 ( 0.588 7.503 0.067) 7.526 3.640 ( -2.278 -5.107 1.745) 5.858 3.640 ( -2.278 5.107 1.745) 5.858 4.508 ( 5.223 -3.673 0.650) 6.419 4.508 ( 5.223 3.673 0.650) 6.419 4.697 ( 9.698 -8.640 -4.676) 13.804 4.697 ( 9.698 8.640 -4.676) 13.804 5.335 ( 7.864 -11.777 4.742) 14.934 5.335 ( 7.864 11.777 4.742) 14.934 5.628 ( -12.445 -19.420 -3.701) 23.361 5.628 ( -12.445 19.420 -3.701) 23.361 6.632 ( 3.641 -5.430 4.853) 8.142 6.632 ( 3.641 5.430 4.853) 8.142 6.964 ( 22.207 -27.632 0.358) 35.452 6.964 ( 22.207 27.632 0.358) 35.452 7.874 ( -14.675 -23.094 1.641) 27.411 7.874 ( -14.675 23.094 1.641) 27.411 8.302 ( -13.052 -22.155 4.983) 26.193 8.302 ( -13.052 22.155 4.983) 26.193 8.887 ( 3.740 -9.545 2.189) 10.483 8.887 ( 3.740 9.545 2.189) 10.483 9.195 ( 8.277 -7.205 -7.243) 13.149 9.195 ( 8.277 7.205 -7.243) 13.149 9.836 ( -7.521 -7.642 1.921) 10.893 9.836 ( -7.521 7.642 1.921) 10.893 10.224 ( -5.148 -2.625 1.751) 6.038 10.224 ( -5.148 2.625 1.751) 6.038 10.345 ( 8.506 -2.464 2.725) 9.265 10.345 ( 8.506 2.464 2.725) 9.265 11.011 ( 14.542 -6.438 2.664) 16.125 11.011 ( 14.542 6.438 2.664) 16.125 11.670 ( -1.188 -19.952 2.712) 20.171 11.670 ( -1.188 19.952 2.712) 20.171 12.591 ( 1.447 -2.047 -2.674) 3.665 12.591 ( 1.447 2.047 -2.674) 3.665 13.430 ( -6.114 -14.840 8.987) 18.395 13.430 ( -6.114 14.840 8.987) 18.395 14.668 ( 2.590 -7.314 -1.199) 7.851 14.668 ( 2.590 7.314 -1.199) 7.851 16.297 ( -15.872 -4.224 -0.769) 16.443 16.297 ( -15.872 4.224 -0.769) 16.443 18.504 ( 19.784 -16.171 -1.437) 25.592 18.504 ( 19.784 16.171 -1.437) 25.592 20.922 ( -4.225 -3.290 -0.740) 5.406 20.922 ( -4.225 3.290 -0.740) 5.406 ======================= Grid point 292 (103/105) ======================= q-point: ( 0.25 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -4.551 -6.783 3.656) 8.949 2.408 ( -4.551 6.783 3.656) 8.949 2.608 ( -0.774 -3.585 1.059) 3.817 2.608 ( -0.774 3.585 1.059) 3.817 2.869 ( -6.947 -5.734 0.424) 9.018 2.869 ( -6.947 5.734 0.424) 9.018 3.059 ( -5.010 -7.178 1.379) 8.861 3.059 ( -5.010 7.178 1.379) 8.861 3.420 ( -2.976 -4.813 -0.241) 5.664 3.420 ( -2.976 4.813 -0.241) 5.664 3.573 ( -3.542 -2.793 1.192) 4.666 3.573 ( -3.542 2.793 1.192) 4.666 4.608 ( 3.609 -3.103 1.067) 4.877 4.608 ( 3.609 3.103 1.067) 4.877 4.932 ( 9.851 -15.003 -1.857) 18.043 4.932 ( 9.851 15.003 -1.857) 18.043 5.424 ( -0.415 -9.552 -2.780) 9.957 5.424 ( -0.415 9.552 -2.780) 9.957 5.661 ( 18.923 -11.952 1.331) 22.421 5.661 ( 18.923 11.952 1.331) 22.421 6.744 ( 6.321 -4.473 6.335) 10.005 6.744 ( 6.321 4.473 6.335) 10.005 7.270 ( -6.645 -23.069 0.605) 24.015 7.270 ( -6.645 23.069 0.605) 24.015 7.677 ( 8.543 -23.612 0.892) 25.126 7.677 ( 8.543 23.612 0.892) 25.126 7.996 ( -14.342 -26.427 1.579) 30.109 7.996 ( -14.342 26.427 1.579) 30.109 8.844 ( -8.629 -2.510 2.565) 9.345 8.844 ( -8.629 2.510 2.565) 9.345 9.268 ( -2.829 -7.117 -3.974) 8.628 9.268 ( -2.829 7.117 -3.974) 8.628 9.807 ( 4.807 -12.017 1.250) 13.003 9.807 ( 4.807 12.017 1.250) 13.003 10.234 ( 7.411 -6.967 0.528) 10.185 10.234 ( 7.411 6.967 0.528) 10.185 10.496 ( 5.107 -5.694 4.151) 8.702 10.496 ( 5.107 5.694 4.151) 8.702 11.276 ( 7.230 -9.591 5.654) 13.275 11.276 ( 7.230 9.591 5.654) 13.275 11.686 ( 5.160 -16.020 0.960) 16.858 11.686 ( 5.160 16.020 0.960) 16.858 12.630 ( 2.178 -1.622 -2.530) 3.712 12.630 ( 2.178 1.622 -2.530) 3.712 13.252 ( -10.314 -13.329 7.303) 18.368 13.252 ( -10.314 13.329 7.303) 18.368 14.745 ( 4.554 -7.392 -1.405) 8.795 14.745 ( 4.554 7.392 -1.405) 8.795 15.922 ( -18.156 -6.719 -0.490) 19.365 15.922 ( -18.156 6.719 -0.490) 19.365 18.996 ( 25.133 -12.711 -0.496) 28.169 18.996 ( 25.133 12.711 -0.496) 28.169 20.787 ( -8.564 -5.867 -0.490) 10.393 20.787 ( -8.564 5.867 -0.490) 10.393 ======================= Grid point 294 (104/105) ======================= q-point: ( 0.38 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -5.905 -0.877 0.462) 5.988 2.277 ( -5.905 0.877 0.462) 5.988 2.613 ( -0.893 -3.842 0.152) 3.947 2.613 ( -0.893 3.842 0.152) 3.947 2.772 ( -0.783 -6.842 0.995) 6.958 2.772 ( -0.783 6.842 0.995) 6.958 2.960 ( -4.403 -7.821 1.793) 9.153 2.960 ( -4.403 7.821 1.793) 9.153 3.337 ( -3.926 -1.389 -0.018) 4.164 3.337 ( -3.926 1.389 -0.018) 4.164 3.509 ( -2.325 -0.755 1.175) 2.713 3.509 ( -2.325 0.755 1.175) 2.713 4.661 ( 1.661 -3.053 1.118) 3.651 4.661 ( 1.661 3.053 1.118) 3.651 5.005 ( -0.970 -9.632 -0.538) 9.695 5.005 ( -0.970 9.632 -0.538) 9.695 5.643 ( 18.706 -11.616 -2.774) 22.194 5.643 ( 18.706 11.616 -2.774) 22.194 6.104 ( 20.768 -3.888 3.632) 21.438 6.104 ( 20.768 3.888 3.632) 21.438 6.756 ( -13.091 -12.444 10.429) 20.857 6.756 ( -13.091 12.444 10.429) 20.857 6.946 ( -11.288 -7.644 -7.663) 15.639 6.946 ( -11.288 7.644 -7.663) 15.639 7.758 ( -2.225 -23.622 3.545) 23.990 7.758 ( -2.225 23.622 3.545) 23.990 8.058 ( 16.291 -18.936 -1.798) 25.044 8.058 ( 16.291 18.936 -1.798) 25.044 8.568 ( -15.554 -2.810 0.357) 15.810 8.568 ( -15.554 2.810 0.357) 15.810 9.133 ( -7.998 -12.691 1.443) 15.071 9.133 ( -7.998 12.691 1.443) 15.071 9.952 ( 6.906 -9.649 3.499) 12.372 9.952 ( 6.906 9.649 3.499) 12.372 10.468 ( 12.036 -11.059 -2.354) 16.514 10.468 ( 12.036 11.059 -2.354) 16.514 10.560 ( 1.315 -6.209 3.808) 7.401 10.560 ( 1.315 6.209 3.808) 7.401 11.273 ( -4.734 -11.708 4.905) 13.548 11.273 ( -4.734 11.708 4.905) 13.548 11.901 ( 12.019 -8.525 4.551) 15.422 11.901 ( 12.019 8.525 4.551) 15.422 12.674 ( 1.819 -0.802 -2.922) 3.534 12.674 ( 1.819 0.802 -2.922) 3.534 13.024 ( -10.428 -9.829 4.913) 15.149 13.024 ( -10.428 9.829 4.913) 15.149 14.850 ( 5.079 -6.380 -1.501) 8.291 14.850 ( 5.079 6.380 -1.501) 8.291 15.584 ( -13.015 -6.438 -0.297) 14.523 15.584 ( -13.015 6.438 -0.297) 14.523 19.499 ( 21.267 -9.431 0.595) 23.272 19.499 ( 21.267 9.431 0.595) 23.272 20.570 ( -11.408 -6.727 -0.475) 13.252 20.570 ( -11.408 6.727 -0.475) 13.252 ======================= Grid point 296 (105/105) ======================= q-point: (-0.50 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.000 0.000 -1.120) 1.120 2.209 ( 0.000 0.000 -1.120) 1.120 2.589 ( 0.000 0.000 -0.457) 0.457 2.589 ( 0.000 0.000 -0.457) 0.457 2.793 ( 0.000 -0.000 0.865) 0.865 2.793 ( 0.000 -0.000 0.865) 0.865 2.897 ( 0.000 0.000 2.464) 2.464 2.897 ( 0.000 0.000 2.464) 2.464 3.291 ( 0.000 -0.000 0.169) 0.169 3.291 ( 0.000 -0.000 0.169) 0.169 3.483 ( 0.000 0.000 1.308) 1.308 3.483 ( 0.000 0.000 1.308) 1.308 4.679 ( 0.000 0.000 1.100) 1.100 4.679 ( 0.000 0.000 1.100) 1.100 4.987 ( 0.000 -0.000 -1.007) 1.007 4.987 ( 0.000 -0.000 -1.007) 1.007 5.963 ( -0.000 -0.000 1.924) 1.924 5.963 ( -0.000 0.000 1.924) 1.924 6.414 ( -0.000 0.000 7.817) 7.817 6.414 ( 0.000 0.000 7.817) 7.817 6.433 ( -0.000 -0.000 0.141) 0.141 6.433 ( 0.000 -0.000 0.141) 0.141 6.791 ( 0.000 0.000 -6.048) 6.048 6.791 ( 0.000 0.000 -6.048) 6.048 7.805 ( 0.000 0.000 3.745) 3.745 7.805 ( 0.000 0.000 3.745) 3.745 8.273 ( -0.000 0.000 -5.275) 5.275 8.273 ( 0.000 0.000 -5.275) 5.275 8.329 ( -0.000 0.000 2.284) 2.284 8.329 ( 0.000 0.000 2.284) 2.284 9.025 ( 0.000 0.000 3.467) 3.467 9.025 ( 0.000 0.000 3.467) 3.467 10.034 ( 0.000 0.000 4.845) 4.845 10.034 ( 0.000 0.000 4.845) 4.845 10.566 ( 0.000 0.000 4.076) 4.076 10.566 ( 0.000 -0.000 4.076) 4.076 10.626 ( 0.000 0.000 -4.311) 4.311 10.626 ( 0.000 0.000 -4.311) 4.311 11.196 ( -0.000 -0.000 4.530) 4.530 11.196 ( 0.000 0.000 4.530) 4.530 12.054 ( 0.000 0.000 7.680) 7.680 12.054 ( 0.000 0.000 7.680) 7.680 12.698 ( 0.000 0.000 -4.066) 4.066 12.698 ( 0.000 0.000 -4.066) 4.066 12.889 ( -0.000 -0.000 3.692) 3.692 12.889 ( 0.000 -0.000 3.692) 3.692 14.918 ( -0.000 -0.000 -1.533) 1.533 14.918 ( 0.000 0.000 -1.533) 1.533 15.430 ( 0.000 0.000 -0.238) 0.238 15.430 ( 0.000 0.000 -0.238) 0.238 19.772 ( -0.000 0.000 1.498) 1.498 19.772 ( 0.000 0.000 1.498) 1.498 20.403 ( 0.000 0.000 -0.933) 0.933 20.403 ( 0.000 0.000 -0.933) 0.933 =================== 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 3/22464 10.0 1990.159 1801.444 2533.027 0.000 0.000 0.000 3/22464 20.0 476.400 387.242 471.769 0.000 0.000 0.000 3/22464 30.0 170.993 135.008 155.112 0.000 0.000 0.000 3/22464 40.0 82.543 65.731 73.612 0.000 0.000 0.000 3/22464 50.0 48.774 39.216 43.391 0.000 0.000 0.000 3/22464 60.0 32.935 26.674 29.300 0.000 0.000 0.000 3/22464 70.0 24.339 19.816 21.662 0.000 0.000 0.000 3/22464 80.0 19.153 15.654 17.062 0.000 0.000 0.000 3/22464 90.0 15.765 12.920 14.065 0.000 0.000 0.000 3/22464 100.0 13.411 11.011 11.989 0.000 0.000 0.000 3/22464 110.0 11.693 9.611 10.477 0.000 0.000 0.000 3/22464 120.0 10.388 8.543 9.331 0.000 0.000 0.000 3/22464 130.0 9.365 7.702 8.432 0.000 0.000 0.000 3/22464 140.0 8.542 7.022 7.707 0.000 0.000 0.000 3/22464 150.0 7.865 6.460 7.108 0.000 0.000 0.000 3/22464 160.0 7.297 5.987 6.605 0.000 0.000 0.000 3/22464 170.0 6.813 5.584 6.174 0.000 0.000 0.000 3/22464 180.0 6.396 5.235 5.801 0.000 0.000 0.000 3/22464 190.0 6.031 4.930 5.473 0.000 0.000 0.000 3/22464 200.0 5.710 4.660 5.183 0.000 0.000 0.000 3/22464 210.0 5.424 4.420 4.925 0.000 0.000 0.000 3/22464 220.0 5.168 4.205 4.692 0.000 0.000 0.000 3/22464 230.0 4.936 4.011 4.481 0.000 0.000 0.000 3/22464 240.0 4.726 3.834 4.289 0.000 0.000 0.000 3/22464 250.0 4.535 3.674 4.114 0.000 0.000 0.000 3/22464 260.0 4.359 3.526 3.952 0.000 0.000 0.000 3/22464 270.0 4.197 3.391 3.804 0.000 0.000 0.000 3/22464 280.0 4.047 3.266 3.666 0.000 0.000 0.000 3/22464 290.0 3.908 3.150 3.538 0.000 0.000 0.000 3/22464 300.0 3.779 3.042 3.419 0.000 0.000 0.000 3/22464 310.0 3.658 2.941 3.308 0.000 0.000 0.000 3/22464 320.0 3.545 2.848 3.204 0.000 0.000 0.000 3/22464 330.0 3.439 2.760 3.107 0.000 0.000 0.000 3/22464 340.0 3.339 2.677 3.015 0.000 0.000 0.000 3/22464 350.0 3.245 2.599 2.929 0.000 0.000 0.000 3/22464 360.0 3.156 2.526 2.847 0.000 0.000 0.000 3/22464 370.0 3.073 2.457 2.770 0.000 0.000 0.000 3/22464 380.0 2.993 2.392 2.697 0.000 0.000 0.000 3/22464 390.0 2.918 2.330 2.628 0.000 0.000 0.000 3/22464 400.0 2.846 2.271 2.562 0.000 0.000 0.000 3/22464 410.0 2.778 2.215 2.500 0.000 0.000 0.000 3/22464 420.0 2.713 2.162 2.440 0.000 0.000 0.000 3/22464 430.0 2.651 2.111 2.383 0.000 0.000 0.000 3/22464 440.0 2.592 2.063 2.329 0.000 0.000 0.000 3/22464 450.0 2.535 2.017 2.278 0.000 0.000 0.000 3/22464 460.0 2.481 1.973 2.228 0.000 0.000 0.000 3/22464 470.0 2.429 1.931 2.181 0.000 0.000 0.000 3/22464 480.0 2.380 1.890 2.135 0.000 0.000 0.000 3/22464 490.0 2.332 1.852 2.092 0.000 0.000 0.000 3/22464 500.0 2.286 1.814 2.050 0.000 0.000 0.000 3/22464 510.0 2.242 1.779 2.010 0.000 0.000 0.000 3/22464 520.0 2.200 1.744 1.971 0.000 0.000 0.000 3/22464 530.0 2.159 1.711 1.934 0.000 0.000 0.000 3/22464 540.0 2.119 1.680 1.898 0.000 0.000 0.000 3/22464 550.0 2.082 1.649 1.864 0.000 0.000 0.000 3/22464 560.0 2.045 1.620 1.831 0.000 0.000 0.000 3/22464 570.0 2.010 1.591 1.799 0.000 0.000 0.000 3/22464 580.0 1.975 1.564 1.768 0.000 0.000 0.000 3/22464 590.0 1.942 1.537 1.738 0.000 0.000 0.000 3/22464 600.0 1.911 1.511 1.709 0.000 0.000 0.000 3/22464 610.0 1.880 1.487 1.681 0.000 0.000 0.000 3/22464 620.0 1.850 1.463 1.654 0.000 0.000 0.000 3/22464 630.0 1.821 1.439 1.628 0.000 0.000 0.000 3/22464 640.0 1.793 1.417 1.602 0.000 0.000 0.000 3/22464 650.0 1.766 1.395 1.578 0.000 0.000 0.000 3/22464 660.0 1.739 1.374 1.554 0.000 0.000 0.000 3/22464 670.0 1.713 1.353 1.531 0.000 0.000 0.000 3/22464 680.0 1.689 1.333 1.508 0.000 0.000 0.000 3/22464 690.0 1.664 1.314 1.486 0.000 0.000 0.000 3/22464 700.0 1.641 1.295 1.465 0.000 0.000 0.000 3/22464 710.0 1.618 1.277 1.445 0.000 0.000 0.000 3/22464 720.0 1.596 1.259 1.425 0.000 0.000 0.000 3/22464 730.0 1.574 1.242 1.405 0.000 0.000 0.000 3/22464 740.0 1.553 1.225 1.386 0.000 0.000 0.000 3/22464 750.0 1.533 1.209 1.368 0.000 0.000 0.000 3/22464 760.0 1.513 1.193 1.350 0.000 0.000 0.000 3/22464 770.0 1.493 1.178 1.332 0.000 0.000 0.000 3/22464 780.0 1.474 1.162 1.315 0.000 0.000 0.000 3/22464 790.0 1.456 1.148 1.299 0.000 0.000 0.000 3/22464 800.0 1.438 1.133 1.282 0.000 0.000 0.000 3/22464 810.0 1.420 1.119 1.267 0.000 0.000 0.000 3/22464 820.0 1.403 1.106 1.251 0.000 0.000 0.000 3/22464 830.0 1.386 1.092 1.236 0.000 0.000 0.000 3/22464 840.0 1.370 1.079 1.221 0.000 0.000 0.000 3/22464 850.0 1.354 1.067 1.207 0.000 0.000 0.000 3/22464 860.0 1.338 1.054 1.193 0.000 0.000 0.000 3/22464 870.0 1.323 1.042 1.179 0.000 0.000 0.000 3/22464 880.0 1.308 1.030 1.166 0.000 0.000 0.000 3/22464 890.0 1.294 1.019 1.153 0.000 0.000 0.000 3/22464 900.0 1.279 1.008 1.140 0.000 0.000 0.000 3/22464 910.0 1.265 0.996 1.128 0.000 0.000 0.000 3/22464 920.0 1.252 0.986 1.115 0.000 0.000 0.000 3/22464 930.0 1.238 0.975 1.103 0.000 0.000 0.000 3/22464 940.0 1.225 0.965 1.092 0.000 0.000 0.000 3/22464 950.0 1.213 0.954 1.080 0.000 0.000 0.000 3/22464 960.0 1.200 0.945 1.069 0.000 0.000 0.000 3/22464 970.0 1.188 0.935 1.058 0.000 0.000 0.000 3/22464 980.0 1.176 0.925 1.047 0.000 0.000 0.000 3/22464 990.0 1.164 0.916 1.037 0.000 0.000 0.000 3/22464 1000.0 1.152 0.907 1.026 0.000 0.000 0.000 3/22464 Thermal conductivity related properties were written into "kappa-m8413.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:51:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|