----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:20:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.494440230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.498869870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.488809669999999 Atomic positions (fractional): *1 S 0.61939615258608 0.12842843407132 0.62349591577488 32.065 2 S 0.88060384741392 0.12842843407132 0.12349591577488 32.065 3 S 0.38060384741392 0.87157156592868 0.12349591577488 32.065 4 S 0.11939615258608 0.87157156592868 0.62349591577488 32.065 *5 Co 0.99256920886442 0.23810341480669 0.50127878791686 58.933 6 Co 0.49256920886442 0.76189658519331 0.50127878791686 58.933 7 Co 0.50743079113558 0.23810341480669 0.00127878791686 58.933 8 Co 0.00743079113558 0.76189658519331 0.00127878791686 58.933 *9 As 0.37794668530445 0.37117346387148 0.38222529630826 74.922 10 As 0.12205331469555 0.37117346387148 0.88222529630826 74.922 11 As 0.87794668530445 0.62882653612852 0.38222529630826 74.922 12 As 0.62205331469555 0.62882653612852 0.88222529630826 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.494440230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.498869870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.488809669999999 Atomic positions (fractional): *1 S 0.61939615258608 0.12842843407132 0.62349591577488 32.065 > 1 2 S 0.88060384741392 0.12842843407132 0.12349591577488 32.065 > 2 3 S 0.38060384741392 0.87157156592868 0.12349591577488 32.065 > 3 4 S 0.11939615258608 0.87157156592868 0.62349591577488 32.065 > 4 *5 Co 0.99256920886442 0.23810341480669 0.50127878791686 58.933 > 5 6 Co 0.49256920886442 0.76189658519331 0.50127878791686 58.933 > 6 7 Co 0.50743079113558 0.23810341480669 0.00127878791686 58.933 > 7 8 Co 0.00743079113558 0.76189658519331 0.00127878791686 58.933 > 8 *9 As 0.37794668530445 0.37117346387148 0.38222529630826 74.922 > 9 10 As 0.12205331469555 0.37117346387148 0.88222529630826 74.922 > 10 11 As 0.87794668530445 0.62882653612852 0.38222529630826 74.922 > 11 12 As 0.62205331469555 0.62882653612852 0.88222529630826 74.922 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.988880460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.997739740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.466429009999999 Atomic positions (fractional): *1 S 0.30969807629304 0.06421421703566 0.20783197192496 32.065 > 1 2 S 0.80969807629304 0.06421421703566 0.20783197192496 32.065 > 1 3 S 0.30969807629304 0.56421421703566 0.20783197192496 32.065 > 1 4 S 0.80969807629304 0.56421421703566 0.20783197192496 32.065 > 1 5 S 0.30969807629304 0.06421421703566 0.54116530525829 32.065 > 1 6 S 0.80969807629304 0.06421421703566 0.54116530525829 32.065 > 1 7 S 0.30969807629304 0.56421421703566 0.54116530525829 32.065 > 1 8 S 0.80969807629304 0.56421421703566 0.54116530525829 32.065 > 1 9 S 0.30969807629304 0.06421421703566 0.87449863859163 32.065 > 1 10 S 0.80969807629304 0.06421421703566 0.87449863859163 32.065 > 1 11 S 0.30969807629304 0.56421421703566 0.87449863859163 32.065 > 1 12 S 0.80969807629304 0.56421421703566 0.87449863859163 32.065 > 1 13 S 0.44030192370696 0.06421421703566 0.04116530525829 32.065 > 2 14 S 0.94030192370696 0.06421421703566 0.04116530525829 32.065 > 2 15 S 0.44030192370696 0.56421421703566 0.04116530525829 32.065 > 2 16 S 0.94030192370696 0.56421421703566 0.04116530525829 32.065 > 2 17 S 0.44030192370696 0.06421421703566 0.37449863859163 32.065 > 2 18 S 0.94030192370696 0.06421421703566 0.37449863859163 32.065 > 2 19 S 0.44030192370696 0.56421421703566 0.37449863859163 32.065 > 2 20 S 0.94030192370696 0.56421421703566 0.37449863859163 32.065 > 2 21 S 0.44030192370696 0.06421421703566 0.70783197192496 32.065 > 2 22 S 0.94030192370696 0.06421421703566 0.70783197192496 32.065 > 2 23 S 0.44030192370696 0.56421421703566 0.70783197192496 32.065 > 2 24 S 0.94030192370696 0.56421421703566 0.70783197192496 32.065 > 2 25 S 0.19030192370696 0.43578578296434 0.04116530525829 32.065 > 3 26 S 0.69030192370696 0.43578578296434 0.04116530525829 32.065 > 3 27 S 0.19030192370696 0.93578578296434 0.04116530525829 32.065 > 3 28 S 0.69030192370696 0.93578578296434 0.04116530525829 32.065 > 3 29 S 0.19030192370696 0.43578578296434 0.37449863859163 32.065 > 3 30 S 0.69030192370696 0.43578578296434 0.37449863859163 32.065 > 3 31 S 0.19030192370696 0.93578578296434 0.37449863859163 32.065 > 3 32 S 0.69030192370696 0.93578578296434 0.37449863859163 32.065 > 3 33 S 0.19030192370696 0.43578578296434 0.70783197192496 32.065 > 3 34 S 0.69030192370696 0.43578578296434 0.70783197192496 32.065 > 3 35 S 0.19030192370696 0.93578578296434 0.70783197192496 32.065 > 3 36 S 0.69030192370696 0.93578578296434 0.70783197192496 32.065 > 3 37 S 0.05969807629304 0.43578578296434 0.20783197192496 32.065 > 4 38 S 0.55969807629304 0.43578578296434 0.20783197192496 32.065 > 4 39 S 0.05969807629304 0.93578578296434 0.20783197192496 32.065 > 4 40 S 0.55969807629304 0.93578578296434 0.20783197192496 32.065 > 4 41 S 0.05969807629304 0.43578578296434 0.54116530525829 32.065 > 4 42 S 0.55969807629304 0.43578578296434 0.54116530525829 32.065 > 4 43 S 0.05969807629304 0.93578578296434 0.54116530525829 32.065 > 4 44 S 0.55969807629304 0.93578578296434 0.54116530525829 32.065 > 4 45 S 0.05969807629304 0.43578578296434 0.87449863859163 32.065 > 4 46 S 0.55969807629304 0.43578578296434 0.87449863859163 32.065 > 4 47 S 0.05969807629304 0.93578578296434 0.87449863859163 32.065 > 4 48 S 0.55969807629304 0.93578578296434 0.87449863859163 32.065 > 4 *49 Co 0.49628460443221 0.11905170740335 0.16709292930562 58.933 > 5 50 Co 0.99628460443221 0.11905170740335 0.16709292930562 58.933 > 5 51 Co 0.49628460443221 0.61905170740335 0.16709292930562 58.933 > 5 52 Co 0.99628460443221 0.61905170740335 0.16709292930562 58.933 > 5 53 Co 0.49628460443221 0.11905170740335 0.50042626263895 58.933 > 5 54 Co 0.99628460443221 0.11905170740335 0.50042626263895 58.933 > 5 55 Co 0.49628460443221 0.61905170740335 0.50042626263895 58.933 > 5 56 Co 0.99628460443221 0.61905170740335 0.50042626263895 58.933 > 5 57 Co 0.49628460443221 0.11905170740335 0.83375959597229 58.933 > 5 58 Co 0.99628460443221 0.11905170740335 0.83375959597229 58.933 > 5 59 Co 0.49628460443221 0.61905170740335 0.83375959597229 58.933 > 5 60 Co 0.99628460443221 0.61905170740335 0.83375959597229 58.933 > 5 61 Co 0.24628460443221 0.38094829259665 0.16709292930562 58.933 > 6 62 Co 0.74628460443221 0.38094829259665 0.16709292930562 58.933 > 6 63 Co 0.24628460443221 0.88094829259665 0.16709292930562 58.933 > 6 64 Co 0.74628460443221 0.88094829259665 0.16709292930562 58.933 > 6 65 Co 0.24628460443221 0.38094829259665 0.50042626263895 58.933 > 6 66 Co 0.74628460443221 0.38094829259665 0.50042626263895 58.933 > 6 67 Co 0.24628460443221 0.88094829259665 0.50042626263895 58.933 > 6 68 Co 0.74628460443221 0.88094829259665 0.50042626263895 58.933 > 6 69 Co 0.24628460443221 0.38094829259665 0.83375959597229 58.933 > 6 70 Co 0.74628460443221 0.38094829259665 0.83375959597229 58.933 > 6 71 Co 0.24628460443221 0.88094829259665 0.83375959597229 58.933 > 6 72 Co 0.74628460443221 0.88094829259665 0.83375959597229 58.933 > 6 73 Co 0.25371539556779 0.11905170740335 0.00042626263895 58.933 > 7 74 Co 0.75371539556779 0.11905170740335 0.00042626263895 58.933 > 7 75 Co 0.25371539556779 0.61905170740335 0.00042626263895 58.933 > 7 76 Co 0.75371539556779 0.61905170740335 0.00042626263895 58.933 > 7 77 Co 0.25371539556779 0.11905170740335 0.33375959597229 58.933 > 7 78 Co 0.75371539556779 0.11905170740335 0.33375959597229 58.933 > 7 79 Co 0.25371539556779 0.61905170740335 0.33375959597229 58.933 > 7 80 Co 0.75371539556779 0.61905170740335 0.33375959597229 58.933 > 7 81 Co 0.25371539556779 0.11905170740335 0.66709292930562 58.933 > 7 82 Co 0.75371539556779 0.11905170740335 0.66709292930562 58.933 > 7 83 Co 0.25371539556779 0.61905170740335 0.66709292930562 58.933 > 7 84 Co 0.75371539556779 0.61905170740335 0.66709292930562 58.933 > 7 85 Co 0.00371539556779 0.38094829259665 0.00042626263895 58.933 > 8 86 Co 0.50371539556779 0.38094829259665 0.00042626263895 58.933 > 8 87 Co 0.00371539556779 0.88094829259665 0.00042626263895 58.933 > 8 88 Co 0.50371539556779 0.88094829259665 0.00042626263895 58.933 > 8 89 Co 0.00371539556779 0.38094829259665 0.33375959597229 58.933 > 8 90 Co 0.50371539556779 0.38094829259665 0.33375959597229 58.933 > 8 91 Co 0.00371539556779 0.88094829259665 0.33375959597229 58.933 > 8 92 Co 0.50371539556779 0.88094829259665 0.33375959597229 58.933 > 8 93 Co 0.00371539556779 0.38094829259665 0.66709292930562 58.933 > 8 94 Co 0.50371539556779 0.38094829259665 0.66709292930562 58.933 > 8 95 Co 0.00371539556779 0.88094829259665 0.66709292930562 58.933 > 8 96 Co 0.50371539556779 0.88094829259665 0.66709292930562 58.933 > 8 *97 As 0.18897334265222 0.18558673193574 0.12740843210275 74.922 > 9 98 As 0.68897334265222 0.18558673193574 0.12740843210275 74.922 > 9 99 As 0.18897334265222 0.68558673193574 0.12740843210275 74.922 > 9 100 As 0.68897334265222 0.68558673193574 0.12740843210275 74.922 > 9 101 As 0.18897334265222 0.18558673193574 0.46074176543609 74.922 > 9 102 As 0.68897334265222 0.18558673193574 0.46074176543609 74.922 > 9 103 As 0.18897334265222 0.68558673193574 0.46074176543609 74.922 > 9 104 As 0.68897334265222 0.68558673193574 0.46074176543609 74.922 > 9 105 As 0.18897334265222 0.18558673193574 0.79407509876942 74.922 > 9 106 As 0.68897334265222 0.18558673193574 0.79407509876942 74.922 > 9 107 As 0.18897334265222 0.68558673193574 0.79407509876942 74.922 > 9 108 As 0.68897334265222 0.68558673193574 0.79407509876942 74.922 > 9 109 As 0.06102665734778 0.18558673193574 0.29407509876942 74.922 > 10 110 As 0.56102665734778 0.18558673193574 0.29407509876942 74.922 > 10 111 As 0.06102665734778 0.68558673193574 0.29407509876942 74.922 > 10 112 As 0.56102665734778 0.68558673193574 0.29407509876942 74.922 > 10 113 As 0.06102665734778 0.18558673193574 0.62740843210275 74.922 > 10 114 As 0.56102665734778 0.18558673193574 0.62740843210275 74.922 > 10 115 As 0.06102665734778 0.68558673193574 0.62740843210275 74.922 > 10 116 As 0.56102665734778 0.68558673193574 0.62740843210275 74.922 > 10 117 As 0.06102665734778 0.18558673193574 0.96074176543609 74.922 > 10 118 As 0.56102665734778 0.18558673193574 0.96074176543609 74.922 > 10 119 As 0.06102665734778 0.68558673193574 0.96074176543609 74.922 > 10 120 As 0.56102665734778 0.68558673193574 0.96074176543609 74.922 > 10 121 As 0.43897334265222 0.31441326806426 0.12740843210275 74.922 > 11 122 As 0.93897334265222 0.31441326806426 0.12740843210275 74.922 > 11 123 As 0.43897334265222 0.81441326806426 0.12740843210275 74.922 > 11 124 As 0.93897334265222 0.81441326806426 0.12740843210275 74.922 > 11 125 As 0.43897334265222 0.31441326806426 0.46074176543609 74.922 > 11 126 As 0.93897334265222 0.31441326806426 0.46074176543609 74.922 > 11 127 As 0.43897334265222 0.81441326806426 0.46074176543609 74.922 > 11 128 As 0.93897334265222 0.81441326806426 0.46074176543609 74.922 > 11 129 As 0.43897334265222 0.31441326806426 0.79407509876942 74.922 > 11 130 As 0.93897334265222 0.31441326806426 0.79407509876942 74.922 > 11 131 As 0.43897334265222 0.81441326806426 0.79407509876942 74.922 > 11 132 As 0.93897334265222 0.81441326806426 0.79407509876942 74.922 > 11 133 As 0.31102665734778 0.31441326806426 0.29407509876942 74.922 > 12 134 As 0.81102665734778 0.31441326806426 0.29407509876942 74.922 > 12 135 As 0.31102665734778 0.81441326806426 0.29407509876942 74.922 > 12 136 As 0.81102665734778 0.81441326806426 0.29407509876942 74.922 > 12 137 As 0.31102665734778 0.31441326806426 0.62740843210275 74.922 > 12 138 As 0.81102665734778 0.31441326806426 0.62740843210275 74.922 > 12 139 As 0.31102665734778 0.81441326806426 0.62740843210275 74.922 > 12 140 As 0.81102665734778 0.81441326806426 0.62740843210275 74.922 > 12 141 As 0.31102665734778 0.31441326806426 0.96074176543609 74.922 > 12 142 As 0.81102665734778 0.31441326806426 0.96074176543609 74.922 > 12 143 As 0.31102665734778 0.81441326806426 0.96074176543609 74.922 > 12 144 As 0.81102665734778 0.81441326806426 0.96074176543609 74.922 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 23.0190040 0.0000000 0.0000000 0.0000000 22.9376139 0.0000000 0.0000000 0.0000000 22.9091397 -------------------------- Born effective charges -------------------------- 1 S 1.1256474 -0.1506038 -0.0001255 -0.0389628 1.3462325 0.2114337 -0.0622514 -0.1726098 1.0172444 2 S 1.1256474 0.1506038 0.0001255 0.0389628 1.3462325 0.2114337 0.0622514 -0.1726098 1.0172444 3 S 1.1256474 -0.1506038 0.0001255 -0.0389628 1.3462325 -0.2114337 0.0622514 0.1726098 1.0172444 4 S 1.1256474 0.1506038 -0.0001255 0.0389628 1.3462325 -0.2114337 -0.0622514 0.1726098 1.0172444 5 Co -4.5112361 0.1498158 0.6816250 0.7008841 -4.5539604 -0.2863622 0.2262170 -0.8100126 -4.4428229 6 Co -4.5112361 -0.1498158 0.6816250 -0.7008841 -4.5539604 0.2863622 0.2262170 0.8100126 -4.4428229 7 Co -4.5112361 -0.1498158 -0.6816250 -0.7008841 -4.5539604 -0.2863622 -0.2262170 -0.8100126 -4.4428229 8 Co -4.5112361 0.1498158 -0.6816250 0.7008841 -4.5539604 0.2863622 -0.2262170 0.8100126 -4.4428229 9 As 3.3855887 0.0624094 0.2496486 -0.2483874 3.2077279 -0.1905248 0.0496741 -0.1717371 3.4255785 10 As 3.3855887 -0.0624094 -0.2496486 0.2483874 3.2077279 -0.1905248 -0.0496741 -0.1717371 3.4255785 11 As 3.3855887 -0.0624094 0.2496486 0.2483874 3.2077279 0.1905248 0.0496741 0.1717371 3.4255785 12 As 3.3855887 0.0624094 -0.2496486 -0.2483874 3.2077279 0.1905248 -0.0496741 0.1717371 3.4255785 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1998 Number of blocks in projector: 1998 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1998, 1971), data: False |-- (234, 231), data: True |-- (234, 231), data: True |-- (234, 231), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 4.320 Solver_block: 200 / 400 - Time: 4.369 Solver_block: 300 / 400 - Time: 4.362 Solver_block: 400 / 400 - Time: 4.368 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.475 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1998 Number of blocks in projector: 1998 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1998, 1971), data: False |-- (234, 231), data: True |-- (234, 231), data: True |-- (234, 231), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (432, 426), 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 2026-01-07 20:20:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:20:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.494440230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.498869870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.488809669999999 Atomic positions (fractional): 1 S 0.61939615258608 0.12842843407132 0.62349591577488 32.065 2 S 0.88060384741392 0.12842843407132 0.12349591577488 32.065 3 S 0.38060384741392 0.87157156592868 0.12349591577488 32.065 4 S 0.11939615258608 0.87157156592868 0.62349591577488 32.065 5 Co 0.99256920886442 0.23810341480669 0.50127878791686 58.933 6 Co 0.49256920886442 0.76189658519331 0.50127878791686 58.933 7 Co 0.50743079113558 0.23810341480669 0.00127878791686 58.933 8 Co 0.00743079113558 0.76189658519331 0.00127878791686 58.933 9 As 0.37794668530445 0.37117346387148 0.38222529630826 74.922 10 As 0.12205331469555 0.37117346387148 0.88222529630826 74.922 11 As 0.87794668530445 0.62882653612852 0.38222529630826 74.922 12 As 0.62205331469555 0.62882653612852 0.88222529630826 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.988880460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.997739740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.466429009999999 Atomic positions (fractional): 1 S 0.30969807629304 0.06421421703566 0.20783197192496 32.065 > 1 2 S 0.80969807629304 0.06421421703566 0.20783197192496 32.065 > 1 3 S 0.30969807629304 0.56421421703566 0.20783197192496 32.065 > 1 4 S 0.80969807629304 0.56421421703566 0.20783197192496 32.065 > 1 5 S 0.30969807629304 0.06421421703566 0.54116530525829 32.065 > 1 6 S 0.80969807629304 0.06421421703566 0.54116530525829 32.065 > 1 7 S 0.30969807629304 0.56421421703566 0.54116530525829 32.065 > 1 8 S 0.80969807629304 0.56421421703566 0.54116530525829 32.065 > 1 9 S 0.30969807629304 0.06421421703566 0.87449863859163 32.065 > 1 10 S 0.80969807629304 0.06421421703566 0.87449863859163 32.065 > 1 11 S 0.30969807629304 0.56421421703566 0.87449863859163 32.065 > 1 12 S 0.80969807629304 0.56421421703566 0.87449863859163 32.065 > 1 13 S 0.44030192370696 0.06421421703566 0.04116530525829 32.065 > 13 14 S 0.94030192370696 0.06421421703566 0.04116530525829 32.065 > 13 15 S 0.44030192370696 0.56421421703566 0.04116530525829 32.065 > 13 16 S 0.94030192370696 0.56421421703566 0.04116530525829 32.065 > 13 17 S 0.44030192370696 0.06421421703566 0.37449863859163 32.065 > 13 18 S 0.94030192370696 0.06421421703566 0.37449863859163 32.065 > 13 19 S 0.44030192370696 0.56421421703566 0.37449863859163 32.065 > 13 20 S 0.94030192370696 0.56421421703566 0.37449863859163 32.065 > 13 21 S 0.44030192370696 0.06421421703566 0.70783197192496 32.065 > 13 22 S 0.94030192370696 0.06421421703566 0.70783197192496 32.065 > 13 23 S 0.44030192370696 0.56421421703566 0.70783197192496 32.065 > 13 24 S 0.94030192370696 0.56421421703566 0.70783197192496 32.065 > 13 25 S 0.19030192370696 0.43578578296434 0.04116530525829 32.065 > 25 26 S 0.69030192370696 0.43578578296434 0.04116530525829 32.065 > 25 27 S 0.19030192370696 0.93578578296434 0.04116530525829 32.065 > 25 28 S 0.69030192370696 0.93578578296434 0.04116530525829 32.065 > 25 29 S 0.19030192370696 0.43578578296434 0.37449863859163 32.065 > 25 30 S 0.69030192370696 0.43578578296434 0.37449863859163 32.065 > 25 31 S 0.19030192370696 0.93578578296434 0.37449863859163 32.065 > 25 32 S 0.69030192370696 0.93578578296434 0.37449863859163 32.065 > 25 33 S 0.19030192370696 0.43578578296434 0.70783197192496 32.065 > 25 34 S 0.69030192370696 0.43578578296434 0.70783197192496 32.065 > 25 35 S 0.19030192370696 0.93578578296434 0.70783197192496 32.065 > 25 36 S 0.69030192370696 0.93578578296434 0.70783197192496 32.065 > 25 37 S 0.05969807629304 0.43578578296434 0.20783197192496 32.065 > 37 38 S 0.55969807629304 0.43578578296434 0.20783197192496 32.065 > 37 39 S 0.05969807629304 0.93578578296434 0.20783197192496 32.065 > 37 40 S 0.55969807629304 0.93578578296434 0.20783197192496 32.065 > 37 41 S 0.05969807629304 0.43578578296434 0.54116530525829 32.065 > 37 42 S 0.55969807629304 0.43578578296434 0.54116530525829 32.065 > 37 43 S 0.05969807629304 0.93578578296434 0.54116530525829 32.065 > 37 44 S 0.55969807629304 0.93578578296434 0.54116530525829 32.065 > 37 45 S 0.05969807629304 0.43578578296434 0.87449863859163 32.065 > 37 46 S 0.55969807629304 0.43578578296434 0.87449863859163 32.065 > 37 47 S 0.05969807629304 0.93578578296434 0.87449863859163 32.065 > 37 48 S 0.55969807629304 0.93578578296434 0.87449863859163 32.065 > 37 49 Co 0.49628460443221 0.11905170740335 0.16709292930562 58.933 > 49 50 Co 0.99628460443221 0.11905170740335 0.16709292930562 58.933 > 49 51 Co 0.49628460443221 0.61905170740335 0.16709292930562 58.933 > 49 52 Co 0.99628460443221 0.61905170740335 0.16709292930562 58.933 > 49 53 Co 0.49628460443221 0.11905170740335 0.50042626263895 58.933 > 49 54 Co 0.99628460443221 0.11905170740335 0.50042626263895 58.933 > 49 55 Co 0.49628460443221 0.61905170740335 0.50042626263895 58.933 > 49 56 Co 0.99628460443221 0.61905170740335 0.50042626263895 58.933 > 49 57 Co 0.49628460443221 0.11905170740335 0.83375959597229 58.933 > 49 58 Co 0.99628460443221 0.11905170740335 0.83375959597229 58.933 > 49 59 Co 0.49628460443221 0.61905170740335 0.83375959597229 58.933 > 49 60 Co 0.99628460443221 0.61905170740335 0.83375959597229 58.933 > 49 61 Co 0.24628460443221 0.38094829259665 0.16709292930562 58.933 > 61 62 Co 0.74628460443221 0.38094829259665 0.16709292930562 58.933 > 61 63 Co 0.24628460443221 0.88094829259665 0.16709292930562 58.933 > 61 64 Co 0.74628460443221 0.88094829259665 0.16709292930562 58.933 > 61 65 Co 0.24628460443221 0.38094829259665 0.50042626263895 58.933 > 61 66 Co 0.74628460443221 0.38094829259665 0.50042626263895 58.933 > 61 67 Co 0.24628460443221 0.88094829259665 0.50042626263895 58.933 > 61 68 Co 0.74628460443221 0.88094829259665 0.50042626263895 58.933 > 61 69 Co 0.24628460443221 0.38094829259665 0.83375959597229 58.933 > 61 70 Co 0.74628460443221 0.38094829259665 0.83375959597229 58.933 > 61 71 Co 0.24628460443221 0.88094829259665 0.83375959597229 58.933 > 61 72 Co 0.74628460443221 0.88094829259665 0.83375959597229 58.933 > 61 73 Co 0.25371539556779 0.11905170740335 0.00042626263895 58.933 > 73 74 Co 0.75371539556779 0.11905170740335 0.00042626263895 58.933 > 73 75 Co 0.25371539556779 0.61905170740335 0.00042626263895 58.933 > 73 76 Co 0.75371539556779 0.61905170740335 0.00042626263895 58.933 > 73 77 Co 0.25371539556779 0.11905170740335 0.33375959597229 58.933 > 73 78 Co 0.75371539556779 0.11905170740335 0.33375959597229 58.933 > 73 79 Co 0.25371539556779 0.61905170740335 0.33375959597229 58.933 > 73 80 Co 0.75371539556779 0.61905170740335 0.33375959597229 58.933 > 73 81 Co 0.25371539556779 0.11905170740335 0.66709292930562 58.933 > 73 82 Co 0.75371539556779 0.11905170740335 0.66709292930562 58.933 > 73 83 Co 0.25371539556779 0.61905170740335 0.66709292930562 58.933 > 73 84 Co 0.75371539556779 0.61905170740335 0.66709292930562 58.933 > 73 85 Co 0.00371539556779 0.38094829259665 0.00042626263895 58.933 > 85 86 Co 0.50371539556779 0.38094829259665 0.00042626263895 58.933 > 85 87 Co 0.00371539556779 0.88094829259665 0.00042626263895 58.933 > 85 88 Co 0.50371539556779 0.88094829259665 0.00042626263895 58.933 > 85 89 Co 0.00371539556779 0.38094829259665 0.33375959597229 58.933 > 85 90 Co 0.50371539556779 0.38094829259665 0.33375959597229 58.933 > 85 91 Co 0.00371539556779 0.88094829259665 0.33375959597229 58.933 > 85 92 Co 0.50371539556779 0.88094829259665 0.33375959597229 58.933 > 85 93 Co 0.00371539556779 0.38094829259665 0.66709292930562 58.933 > 85 94 Co 0.50371539556779 0.38094829259665 0.66709292930562 58.933 > 85 95 Co 0.00371539556779 0.88094829259665 0.66709292930562 58.933 > 85 96 Co 0.50371539556779 0.88094829259665 0.66709292930562 58.933 > 85 97 As 0.18897334265222 0.18558673193574 0.12740843210275 74.922 > 97 98 As 0.68897334265222 0.18558673193574 0.12740843210275 74.922 > 97 99 As 0.18897334265222 0.68558673193574 0.12740843210275 74.922 > 97 100 As 0.68897334265222 0.68558673193574 0.12740843210275 74.922 > 97 101 As 0.18897334265222 0.18558673193574 0.46074176543609 74.922 > 97 102 As 0.68897334265222 0.18558673193574 0.46074176543609 74.922 > 97 103 As 0.18897334265222 0.68558673193574 0.46074176543609 74.922 > 97 104 As 0.68897334265222 0.68558673193574 0.46074176543609 74.922 > 97 105 As 0.18897334265222 0.18558673193574 0.79407509876942 74.922 > 97 106 As 0.68897334265222 0.18558673193574 0.79407509876942 74.922 > 97 107 As 0.18897334265222 0.68558673193574 0.79407509876942 74.922 > 97 108 As 0.68897334265222 0.68558673193574 0.79407509876942 74.922 > 97 109 As 0.06102665734778 0.18558673193574 0.29407509876942 74.922 > 109 110 As 0.56102665734778 0.18558673193574 0.29407509876942 74.922 > 109 111 As 0.06102665734778 0.68558673193574 0.29407509876942 74.922 > 109 112 As 0.56102665734778 0.68558673193574 0.29407509876942 74.922 > 109 113 As 0.06102665734778 0.18558673193574 0.62740843210275 74.922 > 109 114 As 0.56102665734778 0.18558673193574 0.62740843210275 74.922 > 109 115 As 0.06102665734778 0.68558673193574 0.62740843210275 74.922 > 109 116 As 0.56102665734778 0.68558673193574 0.62740843210275 74.922 > 109 117 As 0.06102665734778 0.18558673193574 0.96074176543609 74.922 > 109 118 As 0.56102665734778 0.18558673193574 0.96074176543609 74.922 > 109 119 As 0.06102665734778 0.68558673193574 0.96074176543609 74.922 > 109 120 As 0.56102665734778 0.68558673193574 0.96074176543609 74.922 > 109 121 As 0.43897334265222 0.31441326806426 0.12740843210275 74.922 > 121 122 As 0.93897334265222 0.31441326806426 0.12740843210275 74.922 > 121 123 As 0.43897334265222 0.81441326806426 0.12740843210275 74.922 > 121 124 As 0.93897334265222 0.81441326806426 0.12740843210275 74.922 > 121 125 As 0.43897334265222 0.31441326806426 0.46074176543609 74.922 > 121 126 As 0.93897334265222 0.31441326806426 0.46074176543609 74.922 > 121 127 As 0.43897334265222 0.81441326806426 0.46074176543609 74.922 > 121 128 As 0.93897334265222 0.81441326806426 0.46074176543609 74.922 > 121 129 As 0.43897334265222 0.31441326806426 0.79407509876942 74.922 > 121 130 As 0.93897334265222 0.31441326806426 0.79407509876942 74.922 > 121 131 As 0.43897334265222 0.81441326806426 0.79407509876942 74.922 > 121 132 As 0.93897334265222 0.81441326806426 0.79407509876942 74.922 > 121 133 As 0.31102665734778 0.31441326806426 0.29407509876942 74.922 > 133 134 As 0.81102665734778 0.31441326806426 0.29407509876942 74.922 > 133 135 As 0.31102665734778 0.81441326806426 0.29407509876942 74.922 > 133 136 As 0.81102665734778 0.81441326806426 0.29407509876942 74.922 > 133 137 As 0.31102665734778 0.31441326806426 0.62740843210275 74.922 > 133 138 As 0.81102665734778 0.31441326806426 0.62740843210275 74.922 > 133 139 As 0.31102665734778 0.81441326806426 0.62740843210275 74.922 > 133 140 As 0.81102665734778 0.81441326806426 0.62740843210275 74.922 > 133 141 As 0.31102665734778 0.31441326806426 0.96074176543609 74.922 > 133 142 As 0.81102665734778 0.31441326806426 0.96074176543609 74.922 > 133 143 As 0.31102665734778 0.81441326806426 0.96074176543609 74.922 > 133 144 As 0.81102665734778 0.81441326806426 0.96074176543609 74.922 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 23.0190040 0.0000000 0.0000000 0.0000000 22.9376139 0.0000000 0.0000000 0.0000000 22.9091397 -------------------------- Born effective charges -------------------------- 1 S 1.1256474 -0.1506038 -0.0001255 -0.0389628 1.3462325 0.2114337 -0.0622514 -0.1726098 1.0172444 2 S 1.1256474 0.1506038 0.0001255 0.0389628 1.3462325 0.2114337 0.0622514 -0.1726098 1.0172444 3 S 1.1256474 -0.1506038 0.0001255 -0.0389628 1.3462325 -0.2114337 0.0622514 0.1726098 1.0172444 4 S 1.1256474 0.1506038 -0.0001255 0.0389628 1.3462325 -0.2114337 -0.0622514 0.1726098 1.0172444 5 Co -4.5112361 0.1498158 0.6816250 0.7008841 -4.5539604 -0.2863622 0.2262170 -0.8100126 -4.4428229 6 Co -4.5112361 -0.1498158 0.6816250 -0.7008841 -4.5539604 0.2863622 0.2262170 0.8100126 -4.4428229 7 Co -4.5112361 -0.1498158 -0.6816250 -0.7008841 -4.5539604 -0.2863622 -0.2262170 -0.8100126 -4.4428229 8 Co -4.5112361 0.1498158 -0.6816250 0.7008841 -4.5539604 0.2863622 -0.2262170 0.8100126 -4.4428229 9 As 3.3855887 0.0624094 0.2496486 -0.2483874 3.2077279 -0.1905248 0.0496741 -0.1717371 3.4255785 10 As 3.3855887 -0.0624094 -0.2496486 0.2483874 3.2077279 -0.1905248 -0.0496741 -0.1717371 3.4255785 11 As 3.3855887 -0.0624094 0.2496486 0.2483874 3.2077279 0.1905248 0.0496741 0.1717371 3.4255785 12 As 3.3855887 0.0624094 -0.2496486 -0.2483874 3.2077279 0.1905248 -0.0496741 0.1717371 3.4255785 ---------------------------------------------------------------------------- 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[ 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 2026-01-07 20:21:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:21:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.494440230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.498869870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.488809669999999 Atomic positions (fractional): 1 S 0.61939615258608 0.12842843407132 0.62349591577488 32.065 2 S 0.88060384741392 0.12842843407132 0.12349591577488 32.065 3 S 0.38060384741392 0.87157156592868 0.12349591577488 32.065 4 S 0.11939615258608 0.87157156592868 0.62349591577488 32.065 5 Co 0.99256920886442 0.23810341480669 0.50127878791686 58.933 6 Co 0.49256920886442 0.76189658519331 0.50127878791686 58.933 7 Co 0.50743079113558 0.23810341480669 0.00127878791686 58.933 8 Co 0.00743079113558 0.76189658519331 0.00127878791686 58.933 9 As 0.37794668530445 0.37117346387148 0.38222529630826 74.922 10 As 0.12205331469555 0.37117346387148 0.88222529630826 74.922 11 As 0.87794668530445 0.62882653612852 0.38222529630826 74.922 12 As 0.62205331469555 0.62882653612852 0.88222529630826 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.988880460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.997739740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.466429009999999 Atomic positions (fractional): 1 S 0.30969807629304 0.06421421703566 0.20783197192496 32.065 > 1 2 S 0.80969807629304 0.06421421703566 0.20783197192496 32.065 > 1 3 S 0.30969807629304 0.56421421703566 0.20783197192496 32.065 > 1 4 S 0.80969807629304 0.56421421703566 0.20783197192496 32.065 > 1 5 S 0.30969807629304 0.06421421703566 0.54116530525829 32.065 > 1 6 S 0.80969807629304 0.06421421703566 0.54116530525829 32.065 > 1 7 S 0.30969807629304 0.56421421703566 0.54116530525829 32.065 > 1 8 S 0.80969807629304 0.56421421703566 0.54116530525829 32.065 > 1 9 S 0.30969807629304 0.06421421703566 0.87449863859163 32.065 > 1 10 S 0.80969807629304 0.06421421703566 0.87449863859163 32.065 > 1 11 S 0.30969807629304 0.56421421703566 0.87449863859163 32.065 > 1 12 S 0.80969807629304 0.56421421703566 0.87449863859163 32.065 > 1 13 S 0.44030192370696 0.06421421703566 0.04116530525829 32.065 > 13 14 S 0.94030192370696 0.06421421703566 0.04116530525829 32.065 > 13 15 S 0.44030192370696 0.56421421703566 0.04116530525829 32.065 > 13 16 S 0.94030192370696 0.56421421703566 0.04116530525829 32.065 > 13 17 S 0.44030192370696 0.06421421703566 0.37449863859163 32.065 > 13 18 S 0.94030192370696 0.06421421703566 0.37449863859163 32.065 > 13 19 S 0.44030192370696 0.56421421703566 0.37449863859163 32.065 > 13 20 S 0.94030192370696 0.56421421703566 0.37449863859163 32.065 > 13 21 S 0.44030192370696 0.06421421703566 0.70783197192496 32.065 > 13 22 S 0.94030192370696 0.06421421703566 0.70783197192496 32.065 > 13 23 S 0.44030192370696 0.56421421703566 0.70783197192496 32.065 > 13 24 S 0.94030192370696 0.56421421703566 0.70783197192496 32.065 > 13 25 S 0.19030192370696 0.43578578296434 0.04116530525829 32.065 > 25 26 S 0.69030192370696 0.43578578296434 0.04116530525829 32.065 > 25 27 S 0.19030192370696 0.93578578296434 0.04116530525829 32.065 > 25 28 S 0.69030192370696 0.93578578296434 0.04116530525829 32.065 > 25 29 S 0.19030192370696 0.43578578296434 0.37449863859163 32.065 > 25 30 S 0.69030192370696 0.43578578296434 0.37449863859163 32.065 > 25 31 S 0.19030192370696 0.93578578296434 0.37449863859163 32.065 > 25 32 S 0.69030192370696 0.93578578296434 0.37449863859163 32.065 > 25 33 S 0.19030192370696 0.43578578296434 0.70783197192496 32.065 > 25 34 S 0.69030192370696 0.43578578296434 0.70783197192496 32.065 > 25 35 S 0.19030192370696 0.93578578296434 0.70783197192496 32.065 > 25 36 S 0.69030192370696 0.93578578296434 0.70783197192496 32.065 > 25 37 S 0.05969807629304 0.43578578296434 0.20783197192496 32.065 > 37 38 S 0.55969807629304 0.43578578296434 0.20783197192496 32.065 > 37 39 S 0.05969807629304 0.93578578296434 0.20783197192496 32.065 > 37 40 S 0.55969807629304 0.93578578296434 0.20783197192496 32.065 > 37 41 S 0.05969807629304 0.43578578296434 0.54116530525829 32.065 > 37 42 S 0.55969807629304 0.43578578296434 0.54116530525829 32.065 > 37 43 S 0.05969807629304 0.93578578296434 0.54116530525829 32.065 > 37 44 S 0.55969807629304 0.93578578296434 0.54116530525829 32.065 > 37 45 S 0.05969807629304 0.43578578296434 0.87449863859163 32.065 > 37 46 S 0.55969807629304 0.43578578296434 0.87449863859163 32.065 > 37 47 S 0.05969807629304 0.93578578296434 0.87449863859163 32.065 > 37 48 S 0.55969807629304 0.93578578296434 0.87449863859163 32.065 > 37 49 Co 0.49628460443221 0.11905170740335 0.16709292930562 58.933 > 49 50 Co 0.99628460443221 0.11905170740335 0.16709292930562 58.933 > 49 51 Co 0.49628460443221 0.61905170740335 0.16709292930562 58.933 > 49 52 Co 0.99628460443221 0.61905170740335 0.16709292930562 58.933 > 49 53 Co 0.49628460443221 0.11905170740335 0.50042626263895 58.933 > 49 54 Co 0.99628460443221 0.11905170740335 0.50042626263895 58.933 > 49 55 Co 0.49628460443221 0.61905170740335 0.50042626263895 58.933 > 49 56 Co 0.99628460443221 0.61905170740335 0.50042626263895 58.933 > 49 57 Co 0.49628460443221 0.11905170740335 0.83375959597229 58.933 > 49 58 Co 0.99628460443221 0.11905170740335 0.83375959597229 58.933 > 49 59 Co 0.49628460443221 0.61905170740335 0.83375959597229 58.933 > 49 60 Co 0.99628460443221 0.61905170740335 0.83375959597229 58.933 > 49 61 Co 0.24628460443221 0.38094829259665 0.16709292930562 58.933 > 61 62 Co 0.74628460443221 0.38094829259665 0.16709292930562 58.933 > 61 63 Co 0.24628460443221 0.88094829259665 0.16709292930562 58.933 > 61 64 Co 0.74628460443221 0.88094829259665 0.16709292930562 58.933 > 61 65 Co 0.24628460443221 0.38094829259665 0.50042626263895 58.933 > 61 66 Co 0.74628460443221 0.38094829259665 0.50042626263895 58.933 > 61 67 Co 0.24628460443221 0.88094829259665 0.50042626263895 58.933 > 61 68 Co 0.74628460443221 0.88094829259665 0.50042626263895 58.933 > 61 69 Co 0.24628460443221 0.38094829259665 0.83375959597229 58.933 > 61 70 Co 0.74628460443221 0.38094829259665 0.83375959597229 58.933 > 61 71 Co 0.24628460443221 0.88094829259665 0.83375959597229 58.933 > 61 72 Co 0.74628460443221 0.88094829259665 0.83375959597229 58.933 > 61 73 Co 0.25371539556779 0.11905170740335 0.00042626263895 58.933 > 73 74 Co 0.75371539556779 0.11905170740335 0.00042626263895 58.933 > 73 75 Co 0.25371539556779 0.61905170740335 0.00042626263895 58.933 > 73 76 Co 0.75371539556779 0.61905170740335 0.00042626263895 58.933 > 73 77 Co 0.25371539556779 0.11905170740335 0.33375959597229 58.933 > 73 78 Co 0.75371539556779 0.11905170740335 0.33375959597229 58.933 > 73 79 Co 0.25371539556779 0.61905170740335 0.33375959597229 58.933 > 73 80 Co 0.75371539556779 0.61905170740335 0.33375959597229 58.933 > 73 81 Co 0.25371539556779 0.11905170740335 0.66709292930562 58.933 > 73 82 Co 0.75371539556779 0.11905170740335 0.66709292930562 58.933 > 73 83 Co 0.25371539556779 0.61905170740335 0.66709292930562 58.933 > 73 84 Co 0.75371539556779 0.61905170740335 0.66709292930562 58.933 > 73 85 Co 0.00371539556779 0.38094829259665 0.00042626263895 58.933 > 85 86 Co 0.50371539556779 0.38094829259665 0.00042626263895 58.933 > 85 87 Co 0.00371539556779 0.88094829259665 0.00042626263895 58.933 > 85 88 Co 0.50371539556779 0.88094829259665 0.00042626263895 58.933 > 85 89 Co 0.00371539556779 0.38094829259665 0.33375959597229 58.933 > 85 90 Co 0.50371539556779 0.38094829259665 0.33375959597229 58.933 > 85 91 Co 0.00371539556779 0.88094829259665 0.33375959597229 58.933 > 85 92 Co 0.50371539556779 0.88094829259665 0.33375959597229 58.933 > 85 93 Co 0.00371539556779 0.38094829259665 0.66709292930562 58.933 > 85 94 Co 0.50371539556779 0.38094829259665 0.66709292930562 58.933 > 85 95 Co 0.00371539556779 0.88094829259665 0.66709292930562 58.933 > 85 96 Co 0.50371539556779 0.88094829259665 0.66709292930562 58.933 > 85 97 As 0.18897334265222 0.18558673193574 0.12740843210275 74.922 > 97 98 As 0.68897334265222 0.18558673193574 0.12740843210275 74.922 > 97 99 As 0.18897334265222 0.68558673193574 0.12740843210275 74.922 > 97 100 As 0.68897334265222 0.68558673193574 0.12740843210275 74.922 > 97 101 As 0.18897334265222 0.18558673193574 0.46074176543609 74.922 > 97 102 As 0.68897334265222 0.18558673193574 0.46074176543609 74.922 > 97 103 As 0.18897334265222 0.68558673193574 0.46074176543609 74.922 > 97 104 As 0.68897334265222 0.68558673193574 0.46074176543609 74.922 > 97 105 As 0.18897334265222 0.18558673193574 0.79407509876942 74.922 > 97 106 As 0.68897334265222 0.18558673193574 0.79407509876942 74.922 > 97 107 As 0.18897334265222 0.68558673193574 0.79407509876942 74.922 > 97 108 As 0.68897334265222 0.68558673193574 0.79407509876942 74.922 > 97 109 As 0.06102665734778 0.18558673193574 0.29407509876942 74.922 > 109 110 As 0.56102665734778 0.18558673193574 0.29407509876942 74.922 > 109 111 As 0.06102665734778 0.68558673193574 0.29407509876942 74.922 > 109 112 As 0.56102665734778 0.68558673193574 0.29407509876942 74.922 > 109 113 As 0.06102665734778 0.18558673193574 0.62740843210275 74.922 > 109 114 As 0.56102665734778 0.18558673193574 0.62740843210275 74.922 > 109 115 As 0.06102665734778 0.68558673193574 0.62740843210275 74.922 > 109 116 As 0.56102665734778 0.68558673193574 0.62740843210275 74.922 > 109 117 As 0.06102665734778 0.18558673193574 0.96074176543609 74.922 > 109 118 As 0.56102665734778 0.18558673193574 0.96074176543609 74.922 > 109 119 As 0.06102665734778 0.68558673193574 0.96074176543609 74.922 > 109 120 As 0.56102665734778 0.68558673193574 0.96074176543609 74.922 > 109 121 As 0.43897334265222 0.31441326806426 0.12740843210275 74.922 > 121 122 As 0.93897334265222 0.31441326806426 0.12740843210275 74.922 > 121 123 As 0.43897334265222 0.81441326806426 0.12740843210275 74.922 > 121 124 As 0.93897334265222 0.81441326806426 0.12740843210275 74.922 > 121 125 As 0.43897334265222 0.31441326806426 0.46074176543609 74.922 > 121 126 As 0.93897334265222 0.31441326806426 0.46074176543609 74.922 > 121 127 As 0.43897334265222 0.81441326806426 0.46074176543609 74.922 > 121 128 As 0.93897334265222 0.81441326806426 0.46074176543609 74.922 > 121 129 As 0.43897334265222 0.31441326806426 0.79407509876942 74.922 > 121 130 As 0.93897334265222 0.31441326806426 0.79407509876942 74.922 > 121 131 As 0.43897334265222 0.81441326806426 0.79407509876942 74.922 > 121 132 As 0.93897334265222 0.81441326806426 0.79407509876942 74.922 > 121 133 As 0.31102665734778 0.31441326806426 0.29407509876942 74.922 > 133 134 As 0.81102665734778 0.31441326806426 0.29407509876942 74.922 > 133 135 As 0.31102665734778 0.81441326806426 0.29407509876942 74.922 > 133 136 As 0.81102665734778 0.81441326806426 0.29407509876942 74.922 > 133 137 As 0.31102665734778 0.31441326806426 0.62740843210275 74.922 > 133 138 As 0.81102665734778 0.31441326806426 0.62740843210275 74.922 > 133 139 As 0.31102665734778 0.81441326806426 0.62740843210275 74.922 > 133 140 As 0.81102665734778 0.81441326806426 0.62740843210275 74.922 > 133 141 As 0.31102665734778 0.31441326806426 0.96074176543609 74.922 > 133 142 As 0.81102665734778 0.31441326806426 0.96074176543609 74.922 > 133 143 As 0.31102665734778 0.81441326806426 0.96074176543609 74.922 > 133 144 As 0.81102665734778 0.81441326806426 0.96074176543609 74.922 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 23.0190040 0.0000000 0.0000000 0.0000000 22.9376139 0.0000000 0.0000000 0.0000000 22.9091397 -------------------------- Born effective charges -------------------------- 1 S 1.1256474 -0.1506038 -0.0001255 -0.0389628 1.3462325 0.2114337 -0.0622514 -0.1726098 1.0172444 2 S 1.1256474 0.1506038 0.0001255 0.0389628 1.3462325 0.2114337 0.0622514 -0.1726098 1.0172444 3 S 1.1256474 -0.1506038 0.0001255 -0.0389628 1.3462325 -0.2114337 0.0622514 0.1726098 1.0172444 4 S 1.1256474 0.1506038 -0.0001255 0.0389628 1.3462325 -0.2114337 -0.0622514 0.1726098 1.0172444 5 Co -4.5112361 0.1498158 0.6816250 0.7008841 -4.5539604 -0.2863622 0.2262170 -0.8100126 -4.4428229 6 Co -4.5112361 -0.1498158 0.6816250 -0.7008841 -4.5539604 0.2863622 0.2262170 0.8100126 -4.4428229 7 Co -4.5112361 -0.1498158 -0.6816250 -0.7008841 -4.5539604 -0.2863622 -0.2262170 -0.8100126 -4.4428229 8 Co -4.5112361 0.1498158 -0.6816250 0.7008841 -4.5539604 0.2863622 -0.2262170 0.8100126 -4.4428229 9 As 3.3855887 0.0624094 0.2496486 -0.2483874 3.2077279 -0.1905248 0.0496741 -0.1717371 3.4255785 10 As 3.3855887 -0.0624094 -0.2496486 0.2483874 3.2077279 -0.1905248 -0.0496741 -0.1717371 3.4255785 11 As 3.3855887 -0.0624094 0.2496486 0.2483874 3.2077279 0.1905248 0.0496741 0.1717371 3.4255785 12 As 3.3855887 0.0624094 -0.2496486 -0.2483874 3.2077279 0.1905248 -0.0496741 0.1717371 3.4255785 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.76, Number of G-points: 305, Lambda: 0.38 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 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 4.648 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 -0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 -0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 -0.000) 0.000 6.534 ( 0.000 0.000 -0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 7.059 ( 0.000 0.000 -0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 -0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 -0.000) 0.000 8.073 ( 0.000 0.000 0.000) 0.000 8.084 ( 0.000 0.000 0.000) 0.000 8.511 ( 0.000 0.000 -0.000) 0.000 8.574 ( 0.000 0.000 -0.000) 0.000 8.771 ( 0.000 0.000 0.000) 0.000 8.790 ( 0.000 0.000 -0.000) 0.000 8.905 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 10.546 ( 0.000 0.000 -0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 10.737 ( 0.000 0.000 -0.000) 0.000 10.954 ( 0.000 0.000 0.000) 0.000 11.076 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 -0.000) 0.000 11.187 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 11.915 ( 0.000 0.000 0.000) 0.000 11.978 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 38.648 0.000 0.000) 38.648 0.797 ( 39.014 0.000 0.000) 39.014 1.486 ( 72.049 0.000 0.000) 72.049 4.592 ( -5.014 0.000 0.000) 5.014 4.727 ( -8.285 0.000 0.000) 8.285 4.803 ( 10.558 0.000 0.000) 10.558 4.847 ( 7.580 0.000 0.000) 7.580 5.372 ( 0.335 0.000 0.000) 0.335 5.605 ( 4.219 0.000 0.000) 4.219 6.478 ( -5.416 0.000 0.000) 5.416 6.642 ( -4.749 0.000 0.000) 4.749 7.083 ( -7.240 0.000 0.000) 7.240 7.161 ( -6.986 0.000 0.000) 6.986 7.562 ( -7.045 0.000 0.000) 7.045 7.644 ( -8.461 0.000 0.000) 8.461 7.885 ( 3.912 0.000 0.000) 3.912 7.933 ( 10.500 0.000 0.000) 10.500 8.116 ( 1.410 0.000 0.000) 1.410 8.329 ( 3.400 0.000 0.000) 3.400 8.388 ( -8.175 0.000 0.000) 8.175 8.591 ( 1.424 0.000 0.000) 1.424 8.837 ( 3.376 0.000 0.000) 3.376 8.870 ( 1.938 0.000 0.000) 1.938 8.950 ( 4.368 0.000 0.000) 4.368 10.176 ( -4.106 0.000 0.000) 4.106 10.372 ( -1.742 0.000 0.000) 1.742 10.541 ( -0.048 0.000 0.000) 0.048 10.692 ( -0.455 0.000 0.000) 0.455 10.806 ( 3.755 0.000 0.000) 3.755 10.959 ( 0.437 0.000 0.000) 0.437 11.183 ( -0.455 0.000 0.000) 0.455 11.188 ( 2.270 0.000 0.000) 2.270 11.712 ( -2.627 0.000 0.000) 2.627 11.818 ( -5.382 0.000 0.000) 5.382 11.969 ( -1.102 0.000 0.000) 1.102 11.974 ( 1.992 0.000 0.000) 1.992 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 37.410 0.000 0.000) 37.410 1.570 ( 37.288 0.000 0.000) 37.288 2.884 ( 65.081 0.000 0.000) 65.081 4.423 ( -12.474 0.000 0.000) 12.474 4.487 ( -14.778 0.000 0.000) 14.778 5.040 ( 11.115 0.000 0.000) 11.115 5.090 ( 16.814 0.000 0.000) 16.814 5.418 ( 4.841 0.000 0.000) 4.841 5.715 ( 6.158 0.000 0.000) 6.158 6.326 ( -9.221 0.000 0.000) 9.221 6.507 ( -8.363 0.000 0.000) 8.363 6.873 ( -13.282 0.000 0.000) 13.282 7.017 ( -6.194 0.000 0.000) 6.194 7.414 ( -7.372 0.000 0.000) 7.372 7.467 ( -8.713 0.000 0.000) 8.713 7.971 ( 4.849 0.000 0.000) 4.849 7.997 ( -13.612 0.000 0.000) 13.612 8.139 ( 9.155 0.000 0.000) 9.155 8.344 ( 3.864 0.000 0.000) 3.864 8.423 ( 5.562 0.000 0.000) 5.562 8.624 ( 1.853 0.000 0.000) 1.853 8.879 ( 1.294 0.000 0.000) 1.294 8.918 ( 2.484 0.000 0.000) 2.484 9.039 ( 3.205 0.000 0.000) 3.205 10.080 ( -4.834 0.000 0.000) 4.834 10.306 ( -4.671 0.000 0.000) 4.671 10.562 ( 2.298 0.000 0.000) 2.298 10.704 ( 1.334 0.000 0.000) 1.334 10.865 ( 1.939 0.000 0.000) 1.939 10.966 ( 0.114 0.000 0.000) 0.114 11.167 ( -1.065 0.000 0.000) 1.065 11.248 ( 3.108 0.000 0.000) 3.108 11.642 ( -3.886 0.000 0.000) 3.886 11.710 ( -4.894 0.000 0.000) 4.894 11.943 ( -1.379 0.000 0.000) 1.379 11.996 ( 0.245 0.000 0.000) 0.245 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 35.328 0.000 0.000) 35.328 2.299 ( 34.584 0.000 0.000) 34.584 3.906 ( 9.150 0.000 0.000) 9.150 4.081 ( -21.095 0.000 0.000) 21.095 4.317 ( 23.869 0.000 0.000) 23.869 5.273 ( 11.050 0.000 0.000) 11.050 5.443 ( 17.222 0.000 0.000) 17.222 5.574 ( 10.292 0.000 0.000) 10.292 5.830 ( 4.557 0.000 0.000) 4.557 6.122 ( -10.480 0.000 0.000) 10.480 6.312 ( -10.777 0.000 0.000) 10.777 6.568 ( -16.331 0.000 0.000) 16.331 6.930 ( -1.900 0.000 0.000) 1.900 7.277 ( -5.808 0.000 0.000) 5.808 7.304 ( -7.108 0.000 0.000) 7.108 7.649 ( -19.701 0.000 0.000) 19.701 8.083 ( 6.074 0.000 0.000) 6.074 8.276 ( 3.833 0.000 0.000) 3.833 8.449 ( 5.501 0.000 0.000) 5.501 8.532 ( 4.543 0.000 0.000) 4.543 8.680 ( 4.284 0.000 0.000) 4.284 8.901 ( 1.058 0.000 0.000) 1.058 8.958 ( 1.315 0.000 0.000) 1.315 9.055 ( -1.794 0.000 0.000) 1.794 10.002 ( -2.453 0.000 0.000) 2.453 10.195 ( -6.067 0.000 0.000) 6.067 10.627 ( 3.743 0.000 0.000) 3.743 10.733 ( 1.103 0.000 0.000) 1.103 10.894 ( 1.343 0.000 0.000) 1.343 10.963 ( -0.239 0.000 0.000) 0.239 11.142 ( -1.243 0.000 0.000) 1.243 11.275 ( -1.358 0.000 0.000) 1.358 11.583 ( -1.160 0.000 0.000) 1.160 11.633 ( -2.496 0.000 0.000) 2.496 11.921 ( -0.552 0.000 0.000) 0.552 11.987 ( -1.112 0.000 0.000) 1.112 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 30.927 0.000 0.000) 30.927 2.975 ( 32.089 0.000 0.000) 32.089 3.546 ( -25.977 0.000 0.000) 25.977 3.585 ( -27.539 0.000 0.000) 27.539 5.104 ( 32.940 0.000 0.000) 32.940 5.426 ( 0.735 0.000 0.000) 0.735 5.756 ( 12.823 0.000 0.000) 12.823 5.783 ( 6.682 0.000 0.000) 6.682 5.909 ( 5.463 0.000 0.000) 5.463 5.926 ( -7.611 0.000 0.000) 7.611 6.084 ( -9.744 0.000 0.000) 9.744 6.233 ( -16.142 0.000 0.000) 16.142 6.969 ( 6.534 0.000 0.000) 6.534 7.174 ( -8.026 0.000 0.000) 8.026 7.197 ( -1.548 0.000 0.000) 1.548 7.267 ( -13.518 0.000 0.000) 13.518 8.204 ( 5.533 0.000 0.000) 5.533 8.288 ( -2.295 0.000 0.000) 2.295 8.545 ( 3.643 0.000 0.000) 3.643 8.583 ( 0.225 0.000 0.000) 0.225 8.802 ( 7.228 0.000 0.000) 7.228 8.914 ( -1.228 0.000 0.000) 1.228 8.968 ( -0.267 0.000 0.000) 0.267 8.982 ( -3.728 0.000 0.000) 3.728 9.996 ( 1.989 0.000 0.000) 1.989 10.075 ( -5.387 0.000 0.000) 5.387 10.697 ( 2.797 0.000 0.000) 2.797 10.735 ( -0.961 0.000 0.000) 0.961 10.929 ( 2.026 0.000 0.000) 2.026 10.959 ( -0.581 0.000 0.000) 0.581 11.135 ( 1.290 0.000 0.000) 1.290 11.203 ( -4.614 0.000 0.000) 4.614 11.588 ( 0.840 0.000 0.000) 0.840 11.603 ( -0.817 0.000 0.000) 0.817 11.926 ( 1.005 0.000 0.000) 1.005 11.956 ( -1.747 0.000 0.000) 1.747 ======================= Grid point 9 (6/125) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.000 38.742 0.000) 38.742 0.788 ( 0.000 38.766 0.000) 38.766 1.492 ( 0.000 72.405 0.000) 72.405 4.591 ( 0.000 -7.449 0.000) 7.449 4.750 ( 0.000 -1.739 0.000) 1.739 4.752 ( 0.000 5.492 0.000) 5.492 4.912 ( 0.000 11.262 0.000) 11.262 5.395 ( 0.000 1.629 0.000) 1.629 5.513 ( 0.000 -3.401 0.000) 3.401 6.480 ( 0.000 -4.974 0.000) 4.974 6.702 ( 0.000 -3.858 0.000) 3.858 6.983 ( 0.000 -7.127 0.000) 7.127 7.219 ( 0.000 -2.072 0.000) 2.072 7.481 ( 0.000 -5.491 0.000) 5.491 7.581 ( 0.000 -5.983 0.000) 5.983 7.873 ( 0.000 5.312 0.000) 5.312 7.950 ( 0.000 -4.944 0.000) 4.944 7.968 ( 0.000 8.676 0.000) 8.676 8.198 ( 0.000 5.450 0.000) 5.450 8.471 ( 0.000 -9.606 0.000) 9.606 8.539 ( 0.000 0.761 0.000) 0.761 8.758 ( 0.000 0.540 0.000) 0.540 8.851 ( 0.000 3.869 0.000) 3.869 9.490 ( 0.000 4.421 0.000) 4.421 10.226 ( 0.000 0.390 0.000) 0.390 10.430 ( 0.000 -0.051 0.000) 0.051 10.519 ( 0.000 -2.456 0.000) 2.456 10.665 ( 0.000 -2.995 0.000) 2.995 10.733 ( 0.000 -0.412 0.000) 0.412 10.977 ( 0.000 1.916 0.000) 1.916 11.078 ( 0.000 0.090 0.000) 0.090 11.174 ( 0.000 0.905 0.000) 0.905 11.485 ( 0.000 0.910 0.000) 0.910 11.905 ( 0.000 -0.778 0.000) 0.778 11.988 ( 0.000 0.861 0.000) 0.861 12.157 ( 0.000 -3.847 0.000) 3.847 ======================= Grid point 10 (7/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 27.471 27.464 0.000) 38.845 1.376 ( 33.775 32.539 0.000) 46.899 1.930 ( 45.640 46.738 0.000) 65.326 4.566 ( -2.692 -3.654 0.000) 4.539 4.810 ( 5.985 -3.599 0.000) 6.984 4.835 ( -4.009 9.411 0.000) 10.229 4.860 ( 6.222 6.489 0.000) 8.990 5.383 ( -0.629 0.771 0.000) 0.995 5.568 ( 4.891 -3.086 0.000) 5.783 6.398 ( -6.063 -5.736 0.000) 8.346 6.635 ( -5.642 -2.422 0.000) 6.140 6.983 ( -3.950 -8.361 0.000) 9.247 7.147 ( -6.311 -1.169 0.000) 6.419 7.393 ( -5.735 -10.250 0.000) 11.746 7.696 ( -5.712 -0.902 0.000) 5.783 7.772 ( 5.264 -2.614 0.000) 5.877 7.928 ( 3.803 -1.568 0.000) 4.114 8.178 ( 6.971 4.733 0.000) 8.426 8.288 ( 7.400 0.603 0.000) 7.424 8.414 ( -5.436 -1.038 0.000) 5.534 8.449 ( -2.665 -2.934 0.000) 3.963 8.846 ( 4.432 -0.529 0.000) 4.464 8.916 ( 6.031 1.613 0.000) 6.243 9.270 ( -12.238 15.741 0.000) 19.939 10.179 ( -3.952 0.442 0.000) 3.976 10.372 ( -2.695 -0.126 0.000) 2.698 10.543 ( 0.519 -0.528 0.000) 0.740 10.673 ( 0.150 -1.985 0.000) 1.991 10.781 ( 4.120 -2.060 0.000) 4.606 10.980 ( 0.221 1.708 0.000) 1.722 11.118 ( 1.221 -2.836 0.000) 3.088 11.215 ( 2.850 1.136 0.000) 3.068 11.539 ( 2.629 -4.546 0.000) 5.251 11.861 ( -4.153 -0.145 0.000) 4.156 11.977 ( -0.896 0.977 0.000) 1.326 12.082 ( -4.005 2.210 0.000) 4.574 ======================= Grid point 11 (8/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 33.445 17.699 0.000) 37.840 1.989 ( 29.680 33.794 0.000) 44.977 3.062 ( 58.779 18.537 0.000) 61.633 4.443 ( -10.440 1.545 0.000) 10.554 4.613 ( -14.146 11.902 0.000) 18.487 4.984 ( 10.683 -5.442 0.000) 11.989 5.120 ( 15.661 2.922 0.000) 15.932 5.405 ( 3.618 -1.533 0.000) 3.930 5.691 ( 6.771 -2.025 0.000) 7.067 6.251 ( -8.483 -6.240 0.000) 10.531 6.488 ( -8.605 -2.249 0.000) 8.894 6.813 ( -12.224 -5.676 0.000) 13.478 7.009 ( -6.389 -0.739 0.000) 6.431 7.269 ( -6.308 -9.916 0.000) 11.752 7.496 ( -9.749 -1.021 0.000) 9.802 7.943 ( 7.489 -1.736 0.000) 7.688 7.993 ( -3.963 -0.529 0.000) 3.998 8.133 ( -2.312 1.214 0.000) 2.611 8.387 ( 2.981 -1.708 0.000) 3.436 8.457 ( 4.991 -3.086 0.000) 5.868 8.491 ( 7.623 3.179 0.000) 8.259 8.909 ( 2.018 -0.202 0.000) 2.028 9.028 ( 3.786 -0.555 0.000) 3.826 9.098 ( -5.375 12.927 0.000) 14.000 10.090 ( -4.402 0.986 0.000) 4.511 10.306 ( -4.279 -0.105 0.000) 4.280 10.564 ( 2.120 0.033 0.000) 2.120 10.694 ( 1.853 -0.981 0.000) 2.097 10.849 ( 2.420 -1.384 0.000) 2.788 10.980 ( -0.308 1.094 0.000) 1.137 11.124 ( -0.381 -3.160 0.000) 3.183 11.269 ( 2.235 1.604 0.000) 2.751 11.553 ( -0.643 -4.150 0.000) 4.200 11.762 ( -4.900 1.798 0.000) 5.219 11.955 ( -1.243 1.143 0.000) 1.689 12.029 ( -1.747 1.745 0.000) 2.469 ======================= Grid point 12 (9/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 33.309 12.732 0.000) 35.660 2.594 ( 29.871 26.246 0.000) 39.763 4.031 ( 13.494 11.666 0.000) 17.837 4.135 ( -19.631 5.390 0.000) 20.357 4.422 ( 16.995 10.287 0.000) 19.866 5.215 ( 11.325 -5.546 0.000) 12.610 5.452 ( 16.370 0.868 0.000) 16.393 5.542 ( 9.734 -3.209 0.000) 10.250 5.815 ( 4.808 -1.214 0.000) 4.959 6.063 ( -9.640 -5.228 0.000) 10.967 6.293 ( -10.625 -1.933 0.000) 10.799 6.517 ( -16.261 -4.844 0.000) 16.967 6.917 ( -2.137 -1.453 0.000) 2.584 7.153 ( -4.669 -8.066 0.000) 9.320 7.322 ( -7.344 -1.609 0.000) 7.518 7.698 ( -19.341 4.598 0.000) 19.880 8.080 ( 6.517 0.219 0.000) 6.520 8.226 ( 5.274 -3.802 0.000) 6.502 8.448 ( 3.780 -3.884 0.000) 5.420 8.564 ( 4.081 1.967 0.000) 4.531 8.644 ( 7.386 1.528 0.000) 7.542 8.925 ( -0.425 -0.173 0.000) 0.459 9.025 ( -1.776 5.444 0.000) 5.727 9.059 ( -1.166 1.599 0.000) 1.979 10.019 ( -2.149 1.696 0.000) 2.738 10.202 ( -5.708 0.618 0.000) 5.742 10.628 ( 3.804 0.098 0.000) 3.805 10.733 ( 1.513 -0.025 0.000) 1.513 10.888 ( 1.814 -0.466 0.000) 1.873 10.967 ( -0.755 0.229 0.000) 0.789 11.109 ( -0.840 -2.900 0.000) 3.019 11.274 ( -2.346 0.077 0.000) 2.347 11.553 ( 1.328 -1.201 0.000) 1.790 11.680 ( -3.092 2.734 0.000) 4.128 11.934 ( -0.619 1.185 0.000) 1.336 11.996 ( -1.637 0.665 0.000) 1.767 ======================= Grid point 13 (10/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 30.665 9.620 0.000) 32.138 3.182 ( 27.775 20.076 0.000) 34.270 3.664 ( -26.136 7.612 0.000) 27.222 3.720 ( -24.031 16.361 0.000) 29.072 5.122 ( 29.444 1.676 0.000) 29.492 5.383 ( 2.400 -4.102 0.000) 4.753 5.749 ( 10.410 -1.323 0.000) 10.494 5.760 ( 9.271 -1.941 0.000) 9.472 5.874 ( -0.279 -3.123 0.000) 3.135 5.898 ( -1.237 -2.503 0.000) 2.792 6.067 ( -10.355 -1.500 0.000) 10.463 6.184 ( -15.873 -4.700 0.000) 16.555 6.951 ( 6.127 -1.981 0.000) 6.439 7.084 ( -3.278 -5.385 0.000) 6.304 7.209 ( -3.087 -1.216 0.000) 3.318 7.310 ( -15.743 3.800 0.000) 16.195 8.203 ( 5.237 0.113 0.000) 5.238 8.271 ( -0.950 -1.333 0.000) 1.637 8.539 ( 4.452 -2.177 0.000) 4.956 8.597 ( -0.848 0.170 0.000) 0.865 8.790 ( 6.872 0.732 0.000) 6.911 8.897 ( -2.912 -0.824 0.000) 3.026 9.001 ( -0.724 2.865 0.000) 2.955 9.011 ( -2.260 2.253 0.000) 3.191 10.015 ( 1.864 1.842 0.000) 2.621 10.089 ( -5.047 1.319 0.000) 5.216 10.700 ( 2.950 0.359 0.000) 2.972 10.740 ( -0.921 0.509 0.000) 1.052 10.929 ( 2.015 -0.028 0.000) 2.015 10.956 ( -0.587 -0.312 0.000) 0.664 11.111 ( 1.815 -2.187 0.000) 2.842 11.189 ( -5.070 -1.069 0.000) 5.181 11.595 ( 2.197 1.009 0.000) 2.418 11.634 ( -1.788 2.319 0.000) 2.929 11.935 ( 0.770 0.886 0.000) 1.174 11.962 ( -1.687 0.511 0.000) 1.762 ======================= Grid point 18 (11/125) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 36.780 0.000) 36.780 1.562 ( 0.000 37.782 0.000) 37.782 2.901 ( 0.000 65.781 0.000) 65.781 4.379 ( 0.000 -12.764 0.000) 12.764 4.621 ( 0.000 -12.473 0.000) 12.473 4.902 ( 0.000 8.925 0.000) 8.925 5.215 ( 0.000 17.611 0.000) 17.611 5.423 ( 0.000 2.251 0.000) 2.251 5.502 ( 0.000 2.421 0.000) 2.421 6.352 ( 0.000 -7.150 0.000) 7.150 6.588 ( 0.000 -7.147 0.000) 7.147 6.796 ( 0.000 -10.727 0.000) 10.727 7.172 ( 0.000 -2.273 0.000) 2.273 7.362 ( 0.000 -6.139 0.000) 6.139 7.474 ( 0.000 -4.572 0.000) 4.572 7.791 ( 0.000 -6.885 0.000) 6.885 8.037 ( 0.000 -10.001 0.000) 10.001 8.049 ( 0.000 7.937 0.000) 7.937 8.289 ( 0.000 -0.758 0.000) 0.758 8.301 ( 0.000 4.823 0.000) 4.823 8.563 ( 0.000 1.597 0.000) 1.597 8.792 ( 0.000 2.435 0.000) 2.435 8.922 ( 0.000 2.784 0.000) 2.784 9.596 ( 0.000 5.534 0.000) 5.534 10.238 ( 0.000 0.720 0.000) 0.720 10.431 ( 0.000 0.173 0.000) 0.173 10.458 ( 0.000 -3.201 0.000) 3.201 10.592 ( 0.000 -3.839 0.000) 3.839 10.722 ( 0.000 -0.581 0.000) 0.581 11.017 ( 0.000 1.794 0.000) 1.794 11.077 ( 0.000 -0.200 0.000) 0.200 11.200 ( 0.000 1.533 0.000) 1.533 11.507 ( 0.000 1.087 0.000) 1.087 11.886 ( 0.000 -0.966 0.000) 0.966 12.009 ( 0.000 1.179 0.000) 1.179 12.053 ( 0.000 -6.079 0.000) 6.079 ======================= Grid point 19 (12/125) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 17.782 32.847 0.000) 37.351 1.972 ( 33.488 29.426 0.000) 44.580 3.084 ( 18.534 59.645 0.000) 62.459 4.418 ( 3.239 -10.510 0.000) 10.998 4.673 ( 4.927 -11.229 0.000) 12.263 4.981 ( 7.427 7.549 0.000) 10.590 5.147 ( -6.562 17.875 0.000) 19.041 5.402 ( -2.510 2.179 0.000) 3.324 5.536 ( 4.197 0.466 0.000) 4.223 6.272 ( -6.769 -6.589 0.000) 9.446 6.538 ( -4.586 -6.602 0.000) 8.038 6.788 ( -2.263 -10.446 0.000) 10.688 7.121 ( -4.826 -1.240 0.000) 4.983 7.216 ( -8.433 -7.588 0.000) 11.345 7.615 ( 0.102 -4.815 0.000) 4.816 7.689 ( -0.323 -6.150 0.000) 6.158 7.961 ( -0.508 -0.999 0.000) 1.120 8.138 ( 2.974 -8.177 0.000) 8.701 8.354 ( 1.590 6.173 0.000) 6.375 8.365 ( 4.993 2.252 0.000) 5.478 8.511 ( -0.925 4.051 0.000) 4.156 8.856 ( 4.579 1.240 0.000) 4.744 8.945 ( 2.258 1.148 0.000) 2.533 9.499 ( -8.117 8.368 0.000) 11.658 10.195 ( -3.532 1.095 0.000) 3.698 10.366 ( -3.111 -0.502 0.000) 3.151 10.517 ( 2.373 -1.592 0.000) 2.857 10.616 ( 1.683 -3.332 0.000) 3.733 10.739 ( 2.601 -1.889 0.000) 3.215 11.016 ( -0.308 1.646 0.000) 1.675 11.088 ( 0.297 -0.503 0.000) 0.583 11.242 ( 3.584 1.520 0.000) 3.893 11.505 ( -0.313 -0.271 0.000) 0.414 11.849 ( -3.104 -0.766 0.000) 3.197 12.002 ( -0.691 1.300 0.000) 1.472 12.049 ( -0.506 -4.028 0.000) 4.059 ======================= Grid point 20 (13/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 26.595 26.056 0.000) 37.232 2.650 ( 30.379 28.589 0.000) 41.716 3.658 ( 36.631 38.230 0.000) 52.947 4.452 ( -1.970 -1.192 0.000) 2.303 4.803 ( 5.978 -8.475 0.000) 10.371 4.953 ( -9.085 16.590 0.000) 18.915 5.200 ( 12.635 4.672 0.000) 13.471 5.361 ( 0.098 -1.759 0.000) 1.761 5.658 ( 7.084 -0.851 0.000) 7.135 6.115 ( -8.381 -6.651 0.000) 10.699 6.413 ( -7.589 -4.917 0.000) 9.043 6.662 ( -10.374 -8.674 0.000) 13.523 6.984 ( -7.921 -2.656 0.000) 8.354 7.079 ( -4.889 -7.176 0.000) 8.684 7.415 ( -10.227 -6.075 0.000) 11.895 7.891 ( 11.336 -3.165 0.000) 11.770 7.983 ( 2.216 -4.509 0.000) 5.024 8.189 ( -11.123 1.226 0.000) 11.191 8.216 ( 3.008 -3.794 0.000) 4.842 8.495 ( 5.669 2.047 0.000) 6.027 8.604 ( 6.823 6.146 0.000) 9.183 8.924 ( 1.787 1.567 0.000) 2.377 9.007 ( 3.236 -1.253 0.000) 3.470 9.325 ( -8.203 9.244 0.000) 12.359 10.120 ( -3.534 1.901 0.000) 4.013 10.302 ( -3.640 -0.273 0.000) 3.650 10.560 ( 2.612 -0.325 0.000) 2.632 10.664 ( 3.069 -1.975 0.000) 3.650 10.810 ( 3.627 -2.488 0.000) 4.399 11.000 ( -1.298 0.746 0.000) 1.497 11.078 ( -1.200 -1.038 0.000) 1.586 11.306 ( 1.684 1.971 0.000) 2.593 11.500 ( 0.444 -1.555 0.000) 1.617 11.782 ( -3.180 0.517 0.000) 3.222 11.983 ( -1.106 1.382 0.000) 1.770 12.031 ( -1.218 -1.387 0.000) 1.846 ======================= Grid point 21 (14/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 28.778 20.413 0.000) 35.283 3.200 ( 25.013 30.112 0.000) 39.146 4.231 ( -7.082 6.100 0.000) 9.347 4.404 ( 7.792 21.866 0.000) 23.213 4.705 ( 5.226 15.661 0.000) 16.509 5.066 ( 11.906 -7.988 0.000) 14.337 5.446 ( 8.647 -4.496 0.000) 9.746 5.481 ( 14.096 0.842 0.000) 14.121 5.791 ( 5.100 -0.959 0.000) 5.190 5.941 ( -8.514 -6.199 0.000) 10.532 6.236 ( -9.702 -3.496 0.000) 10.313 6.385 ( -16.128 -7.812 0.000) 17.920 6.852 ( -3.801 -5.672 0.000) 6.828 7.013 ( -1.612 -4.233 0.000) 4.529 7.248 ( -6.340 -4.999 0.000) 8.074 7.814 ( -19.151 6.304 0.000) 20.162 8.070 ( 5.782 -5.026 0.000) 7.662 8.146 ( 8.335 -2.544 0.000) 8.715 8.318 ( 5.696 -5.145 0.000) 7.676 8.569 ( 1.229 -2.142 0.000) 2.469 8.738 ( 6.179 5.774 0.000) 8.457 8.935 ( -0.399 1.408 0.000) 1.463 9.048 ( 0.582 0.261 0.000) 0.637 9.182 ( -5.910 6.772 0.000) 8.988 10.065 ( -1.610 2.655 0.000) 3.105 10.215 ( -4.752 0.601 0.000) 4.790 10.632 ( 4.229 0.426 0.000) 4.250 10.728 ( 2.819 -0.562 0.000) 2.875 10.876 ( 3.070 -0.803 0.000) 3.174 10.966 ( -1.802 -0.442 0.000) 1.855 11.050 ( -1.230 -2.318 0.000) 2.624 11.279 ( -4.147 0.182 0.000) 4.151 11.546 ( 3.734 0.221 0.000) 3.740 11.727 ( -2.285 1.969 0.000) 3.016 11.963 ( -0.741 1.381 0.000) 1.567 12.003 ( -1.471 0.002 0.000) 1.471 ======================= Grid point 22 (15/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 27.036 15.821 0.000) 31.325 3.669 ( 18.109 24.610 0.000) 30.555 3.885 ( -17.805 14.549 0.000) 22.993 4.146 ( -20.193 23.834 0.000) 31.238 5.160 ( 19.183 1.452 0.000) 19.238 5.273 ( 6.141 -6.132 0.000) 8.678 5.663 ( 10.385 -5.841 0.000) 11.915 5.732 ( 5.435 -2.128 0.000) 5.837 5.810 ( 1.714 -2.567 0.000) 3.086 5.841 ( 0.276 -2.768 0.000) 2.782 6.032 ( -10.185 -1.890 0.000) 10.358 6.055 ( -14.851 -7.565 0.000) 16.667 6.882 ( 6.796 -4.303 0.000) 8.044 6.996 ( -1.814 -3.054 0.000) 3.552 7.176 ( 1.153 -1.501 0.000) 1.893 7.398 ( -19.336 4.847 0.000) 19.935 8.190 ( 5.433 -3.430 0.000) 6.425 8.248 ( 0.694 -0.408 0.000) 0.805 8.445 ( 6.245 -5.460 0.000) 8.296 8.544 ( -3.356 -5.256 0.000) 6.236 8.848 ( 4.631 3.956 0.000) 6.091 8.916 ( -1.808 2.304 0.000) 2.928 9.046 ( 0.179 2.320 0.000) 2.326 9.085 ( -3.613 4.331 0.000) 5.640 10.063 ( 1.479 2.653 0.000) 3.037 10.122 ( -4.094 1.766 0.000) 4.459 10.714 ( 3.397 1.097 0.000) 3.570 10.756 ( -0.438 1.021 0.000) 1.111 10.926 ( 1.240 -0.359 0.000) 1.291 10.942 ( -0.581 -1.104 0.000) 1.247 11.058 ( 3.203 -2.832 0.000) 4.276 11.166 ( -6.284 -1.251 0.000) 6.407 11.624 ( 3.565 1.674 0.000) 3.938 11.683 ( -2.336 2.380 0.000) 3.335 11.958 ( 0.306 1.191 0.000) 1.230 11.974 ( -1.251 0.727 0.000) 1.447 ======================= Grid point 27 (16/125) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.000 33.852 0.000) 33.852 2.309 ( 0.000 35.925 0.000) 35.925 3.841 ( 0.000 0.533 0.000) 0.533 4.247 ( 0.000 -23.447 0.000) 23.447 4.358 ( 0.000 36.274 0.000) 36.274 5.093 ( 0.000 9.521 0.000) 9.521 5.500 ( 0.000 5.494 0.000) 5.494 5.556 ( 0.000 7.339 0.000) 7.339 5.600 ( 0.000 13.253 0.000) 13.253 6.210 ( 0.000 -6.570 0.000) 6.570 6.433 ( 0.000 -7.498 0.000) 7.498 6.576 ( 0.000 -10.317 0.000) 10.317 7.134 ( 0.000 -1.385 0.000) 1.385 7.235 ( 0.000 -6.281 0.000) 6.281 7.395 ( 0.000 -3.204 0.000) 3.204 7.613 ( 0.000 -26.759 0.000) 26.759 7.664 ( 0.000 -5.386 0.000) 5.386 8.205 ( 0.000 7.379 0.000) 7.379 8.379 ( 0.000 4.784 0.000) 4.784 8.391 ( 0.000 3.784 0.000) 3.784 8.607 ( 0.000 2.816 0.000) 2.816 8.839 ( 0.000 1.944 0.000) 1.944 8.952 ( 0.000 0.069 0.000) 0.069 9.697 ( 0.000 4.165 0.000) 4.165 10.253 ( 0.000 0.710 0.000) 0.710 10.403 ( 0.000 -2.087 0.000) 2.087 10.435 ( 0.000 0.153 0.000) 0.153 10.520 ( 0.000 -3.036 0.000) 3.036 10.716 ( 0.000 0.191 0.000) 0.191 11.039 ( 0.000 0.150 0.000) 0.150 11.074 ( 0.000 0.209 0.000) 0.209 11.231 ( 0.000 1.438 0.000) 1.438 11.519 ( 0.000 -0.142 0.000) 0.142 11.869 ( 0.000 -0.701 0.000) 0.701 11.933 ( 0.000 -5.094 0.000) 5.094 12.032 ( 0.000 0.990 0.000) 0.990 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 12.944 31.888 0.000) 34.415 2.581 ( 24.429 30.485 0.000) 39.066 3.925 ( 7.956 -1.377 0.000) 8.074 4.322 ( 7.066 -16.615 0.000) 18.055 4.458 ( 9.623 31.615 0.000) 33.047 5.141 ( 4.617 7.976 0.000) 9.216 5.476 ( -4.789 9.172 0.000) 10.347 5.538 ( -5.256 14.624 0.000) 15.540 5.561 ( 2.413 1.458 0.000) 2.819 6.142 ( -6.097 -5.962 0.000) 8.527 6.396 ( -3.075 -6.623 0.000) 7.302 6.579 ( -1.052 -9.652 0.000) 9.710 7.073 ( -10.603 -6.643 0.000) 12.512 7.102 ( -3.078 -0.652 0.000) 3.146 7.512 ( -7.826 -5.815 0.000) 9.750 7.579 ( 8.467 -4.198 0.000) 9.451 7.623 ( 0.673 -24.329 0.000) 24.339 8.184 ( 0.533 6.271 0.000) 6.293 8.399 ( -0.084 1.918 0.000) 1.920 8.507 ( 5.212 6.862 0.000) 8.617 8.580 ( 0.987 2.575 0.000) 2.758 8.882 ( 3.843 1.149 0.000) 4.012 8.954 ( 0.265 -0.445 0.000) 0.518 9.633 ( -6.062 5.021 0.000) 7.871 10.220 ( -2.770 1.194 0.000) 3.016 10.354 ( -2.715 -0.552 0.000) 2.770 10.491 ( 3.247 -0.899 0.000) 3.370 10.551 ( 2.638 -2.842 0.000) 3.877 10.709 ( 0.487 -1.035 0.000) 1.144 11.043 ( -0.697 1.112 0.000) 1.312 11.084 ( 0.787 -0.096 0.000) 0.793 11.273 ( 3.967 1.491 0.000) 4.237 11.497 ( -1.962 -0.840 0.000) 2.135 11.834 ( -2.408 -0.757 0.000) 2.524 11.959 ( 1.451 -3.935 0.000) 4.194 12.029 ( -0.259 1.104 0.000) 1.134 ======================= Grid point 29 (18/125) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 21.006 27.458 0.000) 34.571 3.163 ( 30.182 23.460 0.000) 38.227 4.134 ( 11.443 -5.839 0.000) 12.847 4.518 ( 11.848 -12.074 0.000) 16.916 4.709 ( 13.375 30.923 0.000) 33.692 5.250 ( 1.717 6.329 0.000) 6.558 5.350 ( -2.774 10.809 0.000) 11.159 5.400 ( -5.970 8.389 0.000) 10.297 5.662 ( 6.654 1.708 0.000) 6.870 5.995 ( -7.889 -4.903 0.000) 9.289 6.309 ( -5.849 -4.820 0.000) 7.579 6.486 ( -8.906 -8.195 0.000) 12.103 6.859 ( -9.884 -7.659 0.000) 12.504 7.030 ( -3.537 0.280 0.000) 3.548 7.286 ( -10.093 -6.112 0.000) 11.800 7.669 ( 4.260 -22.566 0.000) 22.965 7.833 ( 13.553 -2.347 0.000) 13.755 8.231 ( 3.055 4.849 0.000) 5.731 8.287 ( -10.635 4.297 0.000) 11.471 8.515 ( -0.208 -0.063 0.000) 0.217 8.719 ( 7.496 5.042 0.000) 9.034 8.950 ( 1.060 0.351 0.000) 1.117 8.987 ( 4.157 -0.503 0.000) 4.187 9.475 ( -8.842 5.600 0.000) 10.466 10.161 ( -2.711 2.001 0.000) 3.369 10.297 ( -3.152 -0.173 0.000) 3.157 10.558 ( 3.719 0.159 0.000) 3.723 10.621 ( 4.198 -2.038 0.000) 4.666 10.756 ( 3.763 -2.623 0.000) 4.587 11.010 ( -2.420 0.246 0.000) 2.433 11.080 ( -1.317 1.001 0.000) 1.654 11.344 ( 0.521 1.693 0.000) 1.771 11.469 ( 1.149 -1.800 0.000) 2.136 11.790 ( -1.765 0.311 0.000) 1.792 11.975 ( 0.175 -2.106 0.000) 2.113 12.023 ( -0.343 1.056 0.000) 1.110 ======================= Grid point 30 (19/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 23.725 22.403 0.000) 32.631 3.726 ( 24.632 21.558 0.000) 32.733 4.293 ( 1.212 -1.121 0.000) 1.651 4.745 ( 5.980 -8.414 0.000) 10.323 4.916 ( 7.887 21.595 0.000) 22.990 5.111 ( -5.032 10.585 0.000) 11.720 5.399 ( 6.419 2.244 0.000) 6.800 5.507 ( 11.320 1.256 0.000) 11.390 5.801 ( 5.120 2.926 0.000) 5.897 5.835 ( -7.615 -3.775 0.000) 8.499 6.162 ( -7.977 -3.468 0.000) 8.698 6.224 ( -16.080 -7.479 0.000) 17.734 6.716 ( -2.268 -6.230 0.000) 6.630 6.981 ( -1.183 0.142 0.000) 1.191 7.145 ( -3.778 -4.706 0.000) 6.035 7.785 ( 4.833 -18.220 0.000) 18.850 7.956 ( -12.319 5.661 0.000) 13.558 8.138 ( 9.437 0.199 0.000) 9.439 8.303 ( 2.441 2.002 0.000) 3.157 8.483 ( -2.877 -5.812 0.000) 6.485 8.846 ( 5.004 4.676 0.000) 6.849 8.962 ( 0.395 0.797 0.000) 0.890 9.061 ( 2.569 0.952 0.000) 2.739 9.302 ( -7.768 4.878 0.000) 9.173 10.119 ( -1.273 2.479 0.000) 2.787 10.226 ( -3.720 0.480 0.000) 3.751 10.649 ( 5.061 1.188 0.000) 5.199 10.711 ( 4.368 -0.981 0.000) 4.477 10.845 ( 4.987 -2.263 0.000) 5.476 10.954 ( -2.884 -0.658 0.000) 2.958 11.034 ( -3.037 0.753 0.000) 3.129 11.272 ( -6.010 -1.056 0.000) 6.102 11.554 ( 5.423 0.484 0.000) 5.445 11.761 ( -1.337 1.337 0.000) 1.891 11.973 ( -0.128 -0.342 0.000) 0.365 12.012 ( -0.778 1.018 0.000) 1.281 ======================= Grid point 31 (20/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( 22.036 17.059 0.000) 27.868 4.037 ( -6.698 12.274 0.000) 13.983 4.265 ( 11.015 19.995 0.000) 22.828 4.592 ( -15.590 17.282 0.000) 23.275 5.130 ( 10.414 -3.016 0.000) 10.842 5.189 ( 6.007 -2.817 0.000) 6.635 5.559 ( 7.491 -3.225 0.000) 8.156 5.667 ( -0.585 -3.614 0.000) 3.661 5.773 ( 1.039 -2.535 0.000) 2.740 5.790 ( 0.597 -1.857 0.000) 1.950 5.903 ( -11.921 -6.264 0.000) 13.467 6.001 ( -8.821 -1.089 0.000) 8.888 6.822 ( 9.933 -0.793 0.000) 9.965 6.953 ( -2.915 -1.320 0.000) 3.200 7.168 ( 8.456 1.225 0.000) 8.544 7.507 ( -21.413 5.728 0.000) 22.166 8.019 ( 10.241 -12.159 0.000) 15.897 8.210 ( -6.679 -5.710 0.000) 8.787 8.375 ( 6.204 -1.559 0.000) 6.397 8.445 ( -1.078 -2.530 0.000) 2.750 8.921 ( 2.576 3.029 0.000) 3.977 8.959 ( -1.017 1.603 0.000) 1.899 9.101 ( 2.222 2.831 0.000) 3.599 9.173 ( -4.933 3.965 0.000) 6.329 10.115 ( 0.932 2.324 0.000) 2.504 10.156 ( -2.957 1.498 0.000) 3.314 10.745 ( 3.971 1.882 0.000) 4.394 10.778 ( 1.419 1.116 0.000) 1.805 10.909 ( -0.815 -1.478 0.000) 1.688 10.927 ( -0.073 0.201 0.000) 0.214 11.002 ( 3.485 -2.675 0.000) 4.393 11.133 ( -7.336 -2.169 0.000) 7.650 11.656 ( 4.375 1.384 0.000) 4.589 11.725 ( -2.440 1.708 0.000) 2.978 11.977 ( 0.510 0.642 0.000) 0.819 11.993 ( -1.007 1.041 0.000) 1.448 ======================= Grid point 36 (21/125) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 0.000 29.290 0.000) 29.290 2.996 ( 0.000 30.622 0.000) 30.622 3.482 ( 0.000 -24.060 0.000) 24.060 3.720 ( 0.000 -26.864 0.000) 26.864 5.114 ( 0.000 15.457 0.000) 15.457 5.351 ( 0.000 21.769 0.000) 21.769 5.560 ( 0.000 1.136 0.000) 1.136 5.668 ( 0.000 4.083 0.000) 4.083 5.846 ( 0.000 7.077 0.000) 7.077 6.087 ( 0.000 -5.701 0.000) 5.701 6.316 ( 0.000 -3.311 0.000) 3.311 6.414 ( 0.000 -4.691 0.000) 4.691 7.079 ( 0.000 -20.355 0.000) 20.355 7.116 ( 0.000 -0.538 0.000) 0.538 7.128 ( 0.000 -3.416 0.000) 3.416 7.353 ( 0.000 -1.199 0.000) 1.199 7.586 ( 0.000 -2.023 0.000) 2.023 8.330 ( 0.000 4.174 0.000) 4.174 8.439 ( 0.000 0.774 0.000) 0.774 8.439 ( 0.000 1.267 0.000) 1.267 8.661 ( 0.000 1.767 0.000) 1.767 8.870 ( 0.000 1.240 0.000) 1.240 8.932 ( 0.000 -1.452 0.000) 1.452 9.755 ( 0.000 1.486 0.000) 1.486 10.264 ( 0.000 0.306 0.000) 0.306 10.377 ( 0.000 -0.542 0.000) 0.542 10.436 ( 0.000 -0.053 0.000) 0.053 10.477 ( 0.000 -1.165 0.000) 1.165 10.726 ( 0.000 0.530 0.000) 0.530 11.032 ( 0.000 -0.360 0.000) 0.360 11.081 ( 0.000 0.255 0.000) 0.255 11.253 ( 0.000 0.590 0.000) 0.590 11.505 ( 0.000 -0.808 0.000) 0.808 11.859 ( 0.000 -0.242 0.000) 0.242 11.864 ( 0.000 -1.640 0.000) 1.640 12.046 ( 0.000 0.385 0.000) 0.385 ======================= Grid point 37 (22/125) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 9.749 27.467 0.000) 29.146 3.175 ( 16.621 26.461 0.000) 31.248 3.577 ( 9.250 -22.652 0.000) 24.468 3.857 ( 12.660 -23.534 0.000) 26.723 5.163 ( 4.672 13.769 0.000) 14.540 5.350 ( 0.027 16.217 0.000) 16.217 5.591 ( -3.605 2.662 0.000) 4.481 5.626 ( 2.729 6.833 0.000) 7.357 5.791 ( -5.343 7.012 0.000) 8.816 6.036 ( -4.540 -4.512 0.000) 6.401 6.304 ( -1.327 -1.904 0.000) 2.321 6.422 ( -0.207 -5.139 0.000) 5.143 6.961 ( -11.608 -3.562 0.000) 12.143 7.089 ( -1.139 -5.830 0.000) 5.940 7.109 ( 1.675 -14.210 0.000) 14.308 7.448 ( -11.685 -2.065 0.000) 11.866 7.523 ( 12.132 -1.435 0.000) 12.217 8.287 ( -0.599 3.052 0.000) 3.111 8.431 ( -0.899 0.978 0.000) 1.328 8.603 ( 10.569 1.631 0.000) 10.695 8.619 ( -3.990 1.936 0.000) 4.435 8.901 ( 2.833 0.835 0.000) 2.954 8.931 ( 0.115 -1.419 0.000) 1.423 9.701 ( -5.332 1.715 0.000) 5.601 10.239 ( -2.110 0.552 0.000) 2.181 10.347 ( -2.227 -0.163 0.000) 2.233 10.481 ( 3.594 -0.175 0.000) 3.599 10.509 ( 2.859 -1.237 0.000) 3.115 10.698 ( -1.193 -0.155 0.000) 1.203 11.061 ( -1.327 0.591 0.000) 1.453 11.082 ( 2.346 -0.126 0.000) 2.349 11.297 ( 4.416 0.692 0.000) 4.470 11.472 ( -3.066 -1.122 0.000) 3.265 11.821 ( -1.699 -0.370 0.000) 1.738 11.906 ( 2.086 -1.202 0.000) 2.407 12.045 ( -0.123 0.434 0.000) 0.451 ======================= Grid point 38 (23/125) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 16.115 22.795 0.000) 27.916 3.601 ( 23.589 17.645 0.000) 29.458 3.840 ( 16.209 -16.922 0.000) 23.433 4.175 ( 17.317 -16.856 0.000) 24.166 5.282 ( 4.763 12.427 0.000) 13.309 5.342 ( -1.436 4.357 0.000) 4.587 5.456 ( -4.574 2.822 0.000) 5.374 5.619 ( -9.299 7.006 0.000) 11.643 5.797 ( 9.610 11.317 0.000) 14.846 5.927 ( -5.774 -1.862 0.000) 6.067 6.240 ( -5.536 -1.634 0.000) 5.773 6.358 ( -7.242 -3.815 0.000) 8.186 6.733 ( -9.533 -3.593 0.000) 10.188 7.048 ( -1.882 1.189 0.000) 2.226 7.180 ( -4.208 -7.678 0.000) 8.755 7.215 ( 0.079 -13.987 0.000) 13.988 7.800 ( 14.698 -0.878 0.000) 14.724 8.313 ( 2.532 2.439 0.000) 3.515 8.364 ( -6.690 2.757 0.000) 7.235 8.496 ( -7.669 -1.358 0.000) 7.789 8.800 ( 7.956 2.526 0.000) 8.347 8.939 ( 1.117 -0.862 0.000) 1.411 8.984 ( 4.700 -0.018 0.000) 4.700 9.551 ( -8.888 1.921 0.000) 9.094 10.193 ( -2.209 0.920 0.000) 2.393 10.295 ( -2.875 -0.032 0.000) 2.875 10.567 ( 4.811 0.731 0.000) 4.866 10.587 ( 4.898 -1.303 0.000) 5.069 10.715 ( 2.827 -1.169 0.000) 3.059 11.012 ( -3.135 0.040 0.000) 3.135 11.104 ( -0.503 0.922 0.000) 1.050 11.369 ( -3.925 0.657 0.000) 3.979 11.432 ( 5.094 -1.404 0.000) 5.284 11.795 ( -0.915 0.135 0.000) 0.925 11.942 ( 1.430 -0.862 0.000) 1.669 12.041 ( -0.339 0.503 0.000) 0.607 ======================= Grid point 39 (24/125) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 18.120 16.697 0.000) 24.640 4.039 ( 17.015 3.829 0.000) 17.440 4.212 ( 20.008 0.331 0.000) 20.011 4.510 ( 15.064 -11.458 0.000) 18.927 5.164 ( -8.042 3.140 0.000) 8.633 5.337 ( -8.045 9.368 0.000) 12.348 5.471 ( 2.813 1.703 0.000) 3.289 5.529 ( 6.194 0.745 0.000) 6.239 5.792 ( -6.184 -0.139 0.000) 6.186 5.909 ( -5.572 3.662 0.000) 6.668 6.115 ( -6.633 -0.668 0.000) 6.666 6.123 ( -12.858 -1.859 0.000) 12.991 6.661 ( 4.927 1.415 0.000) 5.126 7.002 ( -3.573 1.369 0.000) 3.827 7.080 ( 1.582 -0.707 0.000) 1.733 7.388 ( 10.844 -17.084 0.000) 20.235 8.059 ( 2.847 2.789 0.000) 3.985 8.173 ( -5.480 4.304 0.000) 6.968 8.295 ( -8.121 -5.170 0.000) 9.627 8.396 ( 2.160 -0.667 0.000) 2.260 8.920 ( 4.043 2.375 0.000) 4.689 8.965 ( 1.181 -0.368 0.000) 1.237 9.076 ( 3.911 0.357 0.000) 3.927 9.371 ( -8.318 1.794 0.000) 8.509 10.157 ( -1.171 1.062 0.000) 1.581 10.233 ( -3.051 0.240 0.000) 3.061 10.671 ( 5.231 0.526 0.000) 5.257 10.700 ( 6.041 0.168 0.000) 6.043 10.800 ( 5.320 -1.731 0.000) 5.595 10.942 ( -3.590 -0.362 0.000) 3.609 11.063 ( -3.423 1.422 0.000) 3.707 11.241 ( -7.405 -1.430 0.000) 7.542 11.562 ( 6.377 0.240 0.000) 6.382 11.780 ( -0.823 0.500 0.000) 0.963 11.965 ( 0.943 -0.247 0.000) 0.975 12.030 ( -0.776 0.518 0.000) 0.933 ======================= Grid point 40 (25/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.979 ( 15.552 10.355 0.000) 18.683 4.193 ( -3.004 2.786 0.000) 4.097 4.584 ( 14.783 10.804 0.000) 18.310 4.727 ( 3.187 -2.296 0.000) 3.928 5.108 ( 2.757 -3.515 0.000) 4.467 5.170 ( -4.834 4.492 0.000) 6.599 5.553 ( 2.371 2.117 0.000) 3.179 5.605 ( 0.064 -2.449 0.000) 2.450 5.683 ( -9.232 -4.247 0.000) 10.162 5.767 ( -0.130 -0.910 0.000) 0.919 5.833 ( -5.470 -1.211 0.000) 5.602 5.986 ( -9.052 -0.448 0.000) 9.063 6.843 ( 7.677 1.608 0.000) 7.844 6.938 ( -3.040 -0.336 0.000) 3.059 7.252 ( 15.885 6.908 0.000) 17.322 7.551 ( -2.944 -5.080 0.000) 5.871 7.847 ( -3.785 0.932 0.000) 3.898 8.024 ( -12.900 -10.557 0.000) 16.669 8.363 ( 7.484 -0.093 0.000) 7.485 8.435 ( 0.131 0.276 0.000) 0.306 8.967 ( 1.019 1.438 0.000) 1.763 8.978 ( -0.012 0.291 0.000) 0.291 9.145 ( 3.400 1.202 0.000) 3.606 9.231 ( -5.423 1.568 0.000) 5.645 10.150 ( 0.544 0.976 0.000) 1.117 10.179 ( -2.205 0.658 0.000) 2.301 10.768 ( 4.203 0.217 0.000) 4.209 10.811 ( 2.909 1.900 0.000) 3.474 10.884 ( -0.295 -0.734 0.000) 0.791 10.923 ( 5.741 -1.428 0.000) 5.916 10.976 ( -4.043 0.720 0.000) 4.107 11.084 ( -7.862 -2.125 0.000) 8.144 11.676 ( 4.751 0.541 0.000) 4.782 11.749 ( -2.439 0.632 0.000) 2.520 11.985 ( 1.104 0.234 0.000) 1.129 12.009 ( -1.185 0.464 0.000) 1.273 ======================= Grid point 81 (26/125) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 0.000 37.970) 37.970 0.774 ( 0.000 0.000 38.190) 38.190 1.498 ( 0.000 0.000 72.489) 72.489 4.635 ( 0.000 0.000 -7.630) 7.630 4.718 ( 0.000 0.000 -4.471) 4.471 4.757 ( 0.000 0.000 10.305) 10.305 4.856 ( 0.000 0.000 6.083) 6.083 5.370 ( 0.000 0.000 -1.033) 1.033 5.588 ( 0.000 0.000 3.816) 3.816 6.483 ( 0.000 0.000 -5.872) 5.872 6.631 ( 0.000 0.000 -5.620) 5.620 6.986 ( 0.000 0.000 -7.077) 7.077 7.359 ( 0.000 0.000 -4.903) 4.903 7.565 ( 0.000 0.000 1.137) 1.137 7.759 ( 0.000 0.000 -2.291) 2.291 7.794 ( 0.000 0.000 -0.599) 0.599 8.026 ( 0.000 0.000 -4.318) 4.318 8.127 ( 0.000 0.000 4.494) 4.494 8.131 ( 0.000 0.000 3.990) 3.990 8.500 ( 0.000 0.000 -0.872) 0.872 8.592 ( 0.000 0.000 2.170) 2.170 8.777 ( 0.000 0.000 0.692) 0.692 8.834 ( 0.000 0.000 3.912) 3.912 8.910 ( 0.000 0.000 0.458) 0.458 10.245 ( 0.000 0.000 2.100) 2.100 10.331 ( 0.000 0.000 -4.950) 4.950 10.541 ( 0.000 0.000 -1.020) 1.020 10.691 ( 0.000 0.000 -0.735) 0.735 10.915 ( 0.000 0.000 -2.953) 2.953 10.940 ( 0.000 0.000 2.282) 2.282 11.070 ( 0.000 0.000 -0.682) 0.682 11.232 ( 0.000 0.000 3.852) 3.852 11.661 ( 0.000 0.000 -3.044) 3.044 11.906 ( 0.000 0.000 -0.692) 0.692 11.940 ( 0.000 0.000 -3.543) 3.543 11.942 ( 0.000 0.000 2.550) 2.550 ======================= Grid point 82 (27/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 28.068 0.000 26.701) 38.740 1.369 ( 33.204 0.000 32.535) 46.487 1.927 ( 45.751 0.000 46.547) 65.267 4.634 ( -5.629 0.000 2.141) 6.023 4.736 ( 9.841 0.000 -6.523) 11.806 4.783 ( -7.245 0.000 5.451) 9.067 4.865 ( 7.250 0.000 2.764) 7.759 5.376 ( 1.061 0.000 -0.361) 1.121 5.631 ( 4.167 0.000 3.761) 5.613 6.418 ( -5.894 0.000 -5.813) 8.279 6.584 ( -4.522 0.000 -5.399) 7.043 6.931 ( -6.035 0.000 -8.504) 10.428 7.263 ( -7.405 0.000 -0.725) 7.440 7.503 ( -5.045 0.000 0.955) 5.135 7.628 ( -8.448 0.000 -1.654) 8.608 7.873 ( 3.887 0.000 -1.148) 4.053 8.017 ( 4.351 0.000 2.467) 5.002 8.139 ( -0.800 0.000 2.081) 2.229 8.229 ( 4.802 0.000 -5.120) 7.020 8.424 ( -4.854 0.000 3.256) 5.845 8.612 ( 2.023 0.000 2.060) 2.887 8.819 ( 2.841 0.000 -1.425) 3.178 8.910 ( 4.365 0.000 3.571) 5.640 8.954 ( 3.762 0.000 0.252) 3.771 10.203 ( -3.721 0.000 2.540) 4.505 10.324 ( -0.927 0.000 -4.446) 4.542 10.536 ( -0.313 0.000 -0.841) 0.897 10.686 ( -0.350 0.000 -0.645) 0.734 10.873 ( -1.486 0.000 4.096) 4.357 10.918 ( 0.289 0.000 -3.227) 3.240 11.126 ( 3.486 0.000 -3.383) 4.858 11.226 ( -0.688 0.000 3.616) 3.680 11.697 ( 0.328 0.000 -2.306) 2.329 11.831 ( -5.023 0.000 1.066) 5.135 11.935 ( -0.495 0.000 -3.056) 3.096 11.984 ( 1.803 0.000 0.978) 2.051 ======================= Grid point 83 (28/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 33.478 0.000 17.107) 37.596 1.964 ( 28.919 0.000 33.162) 44.001 3.068 ( 59.160 0.000 18.880) 62.099 4.466 ( -11.703 0.000 3.886) 12.332 4.553 ( -14.353 0.000 6.402) 15.717 5.024 ( 16.975 0.000 -6.464) 18.164 5.032 ( 9.090 0.000 -0.808) 9.126 5.439 ( 5.596 0.000 0.608) 5.629 5.743 ( 6.418 0.000 3.962) 7.542 6.259 ( -9.569 0.000 -6.290) 11.451 6.455 ( -7.973 0.000 -4.802) 9.307 6.761 ( -10.158 0.000 -7.619) 12.698 7.105 ( -7.596 0.000 2.855) 8.115 7.383 ( -6.551 0.000 0.089) 6.552 7.449 ( -8.809 0.000 -1.665) 8.965 7.951 ( 2.767 0.000 -1.840) 3.322 8.010 ( -10.829 0.000 1.738) 10.968 8.147 ( 6.983 0.000 -0.528) 7.002 8.323 ( 4.673 0.000 -7.013) 8.428 8.409 ( 3.281 0.000 5.511) 6.413 8.669 ( 3.575 0.000 3.028) 4.685 8.864 ( 1.498 0.000 -1.496) 2.117 8.979 ( 2.526 0.000 5.164) 5.748 9.030 ( 3.006 0.000 -0.785) 3.107 10.116 ( -4.369 0.000 3.397) 5.535 10.284 ( -3.097 0.000 -2.318) 3.869 10.542 ( 1.249 0.000 -1.677) 2.091 10.689 ( 0.654 0.000 -1.486) 1.624 10.872 ( 0.511 0.000 0.532) 0.737 10.924 ( 0.190 0.000 -3.507) 3.512 11.202 ( 3.537 0.000 -3.251) 4.804 11.204 ( -1.390 0.000 2.998) 3.304 11.662 ( -3.042 0.000 0.617) 3.104 11.728 ( -4.758 0.000 1.734) 5.064 11.924 ( -0.462 0.000 -1.597) 1.662 12.004 ( 0.290 0.000 0.740) 0.794 ======================= Grid point 84 (29/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 32.715 0.000 12.411) 34.990 2.560 ( 29.652 0.000 23.959) 38.122 4.004 ( 5.886 0.000 9.529) 11.200 4.151 ( -19.226 0.000 6.701) 20.361 4.395 ( 24.636 0.000 7.806) 25.843 5.223 ( 9.450 0.000 -3.848) 10.203 5.381 ( 17.348 0.000 -6.063) 18.377 5.596 ( 9.118 0.000 -0.535) 9.133 5.869 ( 5.468 0.000 4.772) 7.258 6.048 ( -10.817 0.000 -6.692) 12.720 6.272 ( -9.907 0.000 -3.588) 10.537 6.533 ( -12.202 0.000 -3.365) 12.658 6.984 ( -3.512 0.000 3.226) 4.768 7.255 ( -5.593 0.000 -0.156) 5.595 7.285 ( -7.190 0.000 -1.640) 7.375 7.674 ( -18.999 0.000 2.629) 19.180 8.060 ( 5.423 0.000 -1.923) 5.754 8.253 ( 2.599 0.000 -2.283) 3.459 8.424 ( 5.562 0.000 -7.929) 9.686 8.499 ( 4.638 0.000 4.085) 6.180 8.754 ( 4.546 0.000 4.259) 6.229 8.884 ( 0.552 0.000 -1.741) 1.826 9.012 ( 0.702 0.000 5.088) 5.136 9.056 ( -0.469 0.000 0.296) 0.554 10.045 ( -2.245 0.000 4.053) 4.633 10.202 ( -4.791 0.000 0.502) 4.817 10.586 ( 2.897 0.000 -3.465) 4.516 10.702 ( 0.256 0.000 -3.022) 3.033 10.886 ( 0.965 0.000 -0.670) 1.175 10.925 ( -0.019 0.000 -3.243) 3.243 11.174 ( -1.430 0.000 2.294) 2.703 11.241 ( -0.240 0.000 -2.746) 2.756 11.607 ( -1.635 0.000 1.631) 2.309 11.651 ( -2.714 0.000 1.837) 3.277 11.921 ( 0.306 0.000 0.057) 0.312 11.997 ( -0.934 0.000 0.901) 1.298 ======================= Grid point 85 (30/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 29.316 0.000 9.542) 30.830 3.144 ( 27.237 0.000 15.639) 31.407 3.644 ( -24.380 0.000 9.484) 26.160 3.705 ( -24.240 0.000 11.264) 26.729 5.139 ( 29.502 0.000 3.362) 29.693 5.378 ( 3.343 0.000 -3.884) 5.125 5.693 ( 12.761 0.000 -6.119) 14.152 5.746 ( 3.831 0.000 -4.105) 5.616 5.850 ( -7.259 0.000 -6.267) 9.590 5.920 ( -4.257 0.000 -1.270) 4.443 6.113 ( -0.355 0.000 4.243) 4.258 6.280 ( -12.203 0.000 3.063) 12.581 6.998 ( 5.691 0.000 2.118) 6.073 7.160 ( -5.890 0.000 -1.297) 6.031 7.180 ( -1.117 0.000 -0.131) 1.125 7.292 ( -15.648 0.000 3.127) 15.957 8.169 ( 5.003 0.000 -2.995) 5.831 8.249 ( -2.516 0.000 -3.406) 4.234 8.533 ( 4.271 0.000 -4.881) 6.486 8.565 ( 1.233 0.000 0.787) 1.463 8.839 ( 3.532 0.000 2.633) 4.406 8.884 ( -0.809 0.000 -1.691) 1.875 9.013 ( -0.233 0.000 4.527) 4.533 9.026 ( -1.731 0.000 3.506) 3.910 10.038 ( 1.643 0.000 3.905) 4.236 10.104 ( -4.511 0.000 2.665) 5.239 10.646 ( 2.715 0.000 -4.492) 5.248 10.690 ( -1.476 0.000 -4.213) 4.464 10.911 ( 1.301 0.000 -1.550) 2.024 10.926 ( -0.082 0.000 -2.682) 2.683 11.160 ( 0.467 0.000 1.444) 1.517 11.199 ( -2.955 0.000 -0.659) 3.028 11.600 ( 0.464 0.000 1.268) 1.350 11.615 ( -1.080 0.000 1.416) 1.781 11.938 ( 1.332 0.000 1.080) 1.715 11.970 ( -1.623 0.000 1.183) 2.009 ======================= Grid point 90 (31/125) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.000 27.827 26.785) 38.624 1.380 ( 0.000 34.009 32.395) 46.969 1.925 ( 0.000 45.606 46.654) 65.242 4.671 ( 0.000 1.281 -1.677) 2.110 4.714 ( 0.000 -2.358 5.140) 5.655 4.719 ( 0.000 -0.496 -3.357) 3.394 4.965 ( 0.000 10.130 4.949) 11.275 5.406 ( 0.000 3.335 -0.696) 3.407 5.522 ( 0.000 -5.569 3.140) 6.393 6.401 ( 0.000 -5.572 -6.146) 8.296 6.632 ( 0.000 -2.284 -6.139) 6.550 6.913 ( 0.000 -6.863 -6.722) 9.607 7.248 ( 0.000 -7.882 -1.949) 8.120 7.494 ( 0.000 -5.456 1.253) 5.598 7.689 ( 0.000 -7.435 7.367) 10.467 7.805 ( 0.000 1.571 -4.353) 4.628 7.983 ( 0.000 -0.624 0.389) 0.735 8.051 ( 0.000 3.623 4.849) 6.053 8.216 ( 0.000 5.945 2.084) 6.299 8.400 ( 0.000 -10.296 -2.421) 10.577 8.596 ( 0.000 2.726 3.418) 4.372 8.760 ( 0.000 -0.478 0.647) 0.805 8.880 ( 0.000 3.208 2.456) 4.040 9.266 ( 0.000 15.624 -11.864) 19.618 10.249 ( 0.000 0.645 2.167) 2.261 10.350 ( 0.000 1.207 -5.670) 5.797 10.519 ( 0.000 -2.062 -0.509) 2.124 10.657 ( 0.000 -2.955 -0.727) 3.043 10.833 ( 0.000 -6.217 5.018) 7.990 10.938 ( 0.000 1.896 -3.082) 3.619 11.072 ( 0.000 0.151 -0.586) 0.605 11.224 ( 0.000 0.264 4.114) 4.122 11.567 ( 0.000 -2.243 4.250) 4.805 11.927 ( 0.000 -0.739 0.696) 1.015 11.959 ( 0.000 1.030 -1.485) 1.807 12.040 ( 0.000 2.832 -7.337) 7.865 ======================= Grid point 91 (32/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 31.021 22.156 21.912) 43.970 1.581 ( 19.220 28.379 27.563) 43.983 2.280 ( 36.166 36.170 36.237) 62.685 4.623 ( -4.430 -1.736 3.516) 5.916 4.786 ( 9.152 4.321 -6.028) 11.780 4.820 ( 6.322 -3.189 2.230) 7.423 4.897 ( -6.395 9.805 4.714) 12.620 5.404 ( 0.160 2.640 0.311) 2.663 5.573 ( 4.876 -5.179 2.607) 7.576 6.339 ( -5.577 -5.908 -5.417) 9.765 6.574 ( -5.286 -2.345 -5.676) 8.103 6.869 ( -5.000 -5.962 -8.128) 11.252 7.187 ( -5.175 -6.096 -1.447) 8.126 7.405 ( -6.636 -6.492 3.214) 9.824 7.683 ( -6.932 1.097 -1.353) 7.147 7.828 ( 4.635 -4.653 2.868) 7.167 7.922 ( 2.091 -2.114 0.312) 2.990 8.178 ( 4.243 2.165 -0.783) 4.827 8.278 ( 3.563 5.801 -2.410) 7.222 8.413 ( 2.955 -9.430 2.161) 10.116 8.496 ( -5.396 2.447 4.699) 7.563 8.847 ( 4.666 -0.037 -0.164) 4.669 8.930 ( 4.452 1.725 1.284) 4.944 9.198 ( -4.812 14.472 -4.797) 15.988 10.209 ( -3.539 0.705 2.716) 4.516 10.330 ( -1.593 0.422 -4.122) 4.440 10.527 ( 0.523 -0.887 -1.209) 1.588 10.661 ( 0.443 -2.152 -0.856) 2.358 10.833 ( 0.638 -3.473 3.578) 5.027 10.941 ( 0.234 1.777 -3.080) 3.564 11.087 ( 1.364 -1.968 -2.249) 3.285 11.249 ( 1.505 1.545 3.243) 3.895 11.592 ( 1.209 -4.158 3.049) 5.296 11.872 ( -4.709 0.362 0.438) 4.743 11.949 ( -0.561 1.236 -2.489) 2.835 12.039 ( -0.311 2.317 -2.773) 3.627 ======================= Grid point 92 (33/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 26.839 19.975 21.544) 39.793 2.166 ( 28.509 23.367 20.427) 42.143 3.248 ( 53.256 18.334 18.755) 59.364 4.480 ( -10.554 1.524 3.388) 11.189 4.677 ( -13.280 11.224 6.114) 18.432 4.980 ( 9.008 -4.801 -0.422) 10.217 5.059 ( 15.656 2.934 -5.801) 16.952 5.442 ( 4.345 0.243 1.489) 4.599 5.701 ( 7.216 -3.775 2.726) 8.588 6.191 ( -8.824 -5.731 -5.554) 11.898 6.435 ( -8.240 -2.388 -5.009) 9.934 6.716 ( -9.609 -4.340 -7.212) 12.774 7.063 ( -6.518 -3.765 0.854) 7.576 7.264 ( -6.970 -7.690 2.020) 10.574 7.491 ( -9.795 0.152 -0.518) 9.809 7.937 ( 4.980 -1.314 -0.896) 5.228 7.997 ( -1.457 -1.322 0.623) 2.064 8.123 ( -2.598 0.400 -0.800) 2.747 8.355 ( 2.731 1.329 -4.607) 5.518 8.451 ( 3.542 -1.199 1.417) 3.999 8.552 ( 7.343 -1.436 5.458) 9.261 8.913 ( 2.028 0.204 -0.235) 2.052 9.006 ( 1.449 1.224 -1.626) 2.498 9.128 ( -1.359 9.435 2.444) 9.840 10.127 ( -4.006 1.174 3.543) 5.475 10.286 ( -2.952 0.145 -2.067) 3.607 10.543 ( 1.444 0.057 -1.794) 2.304 10.681 ( 1.447 -0.780 -1.356) 2.131 10.851 ( 0.882 -1.741 0.191) 1.961 10.944 ( -0.010 1.398 -2.958) 3.272 11.112 ( 0.676 -4.088 -1.454) 4.391 11.276 ( 1.198 2.964 1.414) 3.496 11.591 ( -1.018 -3.676 2.606) 4.619 11.771 ( -4.793 1.709 0.661) 5.131 11.937 ( -0.520 1.223 -1.521) 2.020 12.027 ( -0.813 1.305 -0.052) 1.538 ======================= Grid point 93 (34/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 28.747 14.011 15.403) 35.496 2.743 ( 28.483 20.474 16.416) 38.729 4.121 ( 4.683 10.743 8.497) 14.476 4.200 ( -12.290 5.251 6.589) 14.901 4.501 ( 17.488 10.165 7.762) 21.666 5.171 ( 9.560 -5.071 -3.263) 11.303 5.393 ( 16.486 1.102 -5.778) 17.504 5.581 ( 8.657 -1.591 0.531) 8.818 5.840 ( 5.871 -2.543 3.757) 7.420 5.995 ( -10.016 -4.700 -5.936) 12.556 6.250 ( -9.784 -2.110 -3.812) 10.711 6.492 ( -12.328 -3.976 -2.677) 13.227 6.956 ( -3.053 -2.782 1.876) 4.536 7.139 ( -4.971 -7.192 0.601) 8.764 7.314 ( -7.482 -0.707 -0.570) 7.537 7.724 ( -18.764 4.619 2.701) 19.512 8.044 ( 5.051 -1.085 -2.887) 5.918 8.217 ( 5.364 -2.858 -1.762) 6.328 8.412 ( 3.903 -1.786 -4.147) 5.969 8.545 ( 4.354 1.419 0.117) 4.580 8.695 ( 6.295 -0.618 3.628) 7.292 8.935 ( 0.361 0.272 0.222) 0.504 8.984 ( -2.534 0.766 -1.628) 3.108 9.125 ( -0.170 4.981 4.507) 6.719 10.063 ( -2.009 1.743 4.086) 4.876 10.209 ( -4.460 0.655 0.527) 4.538 10.590 ( 2.965 0.360 -3.259) 4.421 10.707 ( 0.716 0.439 -2.665) 2.794 10.872 ( 1.420 -0.949 -1.345) 2.174 10.939 ( -0.359 0.866 -2.330) 2.512 11.110 ( -0.690 -4.235 -0.384) 4.308 11.278 ( -1.547 1.899 0.426) 2.486 11.578 ( 0.281 -1.329 2.014) 2.430 11.691 ( -2.997 2.434 1.185) 4.039 11.932 ( 0.071 1.005 -0.168) 1.021 12.006 ( -1.248 0.635 0.847) 1.637 ======================= Grid point 94 (35/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 26.884 10.236 10.194) 30.519 3.301 ( 25.642 16.587 12.118) 32.856 3.743 ( -22.792 8.180 8.102) 25.534 3.841 ( -22.697 14.056 10.867) 28.824 5.154 ( 25.571 1.325 3.053) 25.786 5.334 ( 4.539 -4.163 -3.857) 7.267 5.693 ( 12.091 0.004 -5.708) 13.370 5.732 ( 4.156 -1.387 -3.691) 5.729 5.816 ( -5.781 -3.083 -5.616) 8.629 5.902 ( -2.874 -1.826 -0.286) 3.417 6.086 ( -1.887 -2.448 3.424) 4.612 6.236 ( -12.154 -4.211 3.507) 13.332 6.979 ( 5.624 -2.148 1.989) 6.340 7.075 ( -1.421 -5.177 0.010) 5.369 7.196 ( -4.153 -0.292 -0.280) 4.172 7.337 ( -16.207 3.643 2.823) 16.849 8.130 ( 2.821 -2.322 -4.988) 6.182 8.272 ( 0.617 1.021 -1.842) 2.194 8.507 ( 3.903 -1.370 -3.362) 5.330 8.607 ( 1.606 0.460 0.859) 1.878 8.786 ( 2.238 -1.013 -1.032) 2.665 8.926 ( -1.605 -3.552 2.444) 4.600 8.944 ( -0.058 2.745 -0.850) 2.874 9.109 ( -0.969 4.193 5.600) 7.063 10.057 ( 1.453 1.789 3.848) 4.485 10.118 ( -4.122 1.341 2.680) 5.097 10.649 ( 2.471 0.408 -4.310) 4.985 10.701 ( -1.120 1.056 -3.845) 4.142 10.907 ( 1.513 -0.199 -2.264) 2.730 10.935 ( -0.087 0.497 -1.579) 1.658 11.098 ( -0.179 -3.891 -0.700) 3.957 11.225 ( -2.503 0.670 1.945) 3.240 11.599 ( 1.153 0.701 0.713) 1.526 11.648 ( -1.260 2.339 1.570) 3.086 11.941 ( 0.720 0.402 0.598) 1.018 11.980 ( -1.196 0.749 1.423) 2.004 ======================= Grid point 99 (36/125) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 33.932 17.281) 38.079 1.982 ( 0.000 28.944 34.724) 45.205 3.070 ( 0.000 59.652 17.796) 62.250 4.508 ( 0.000 -11.725 12.044) 16.809 4.635 ( 0.000 -9.723 0.995) 9.774 4.836 ( 0.000 9.072 -6.480) 11.149 5.225 ( 0.000 14.071 1.196) 14.122 5.426 ( 0.000 -1.092 -2.749) 2.958 5.509 ( 0.000 6.158 3.851) 7.262 6.281 ( 0.000 -6.220 -6.019) 8.655 6.531 ( 0.000 -7.095 -5.581) 9.027 6.729 ( 0.000 -10.716 -6.364) 12.463 7.114 ( 0.000 -5.135 -4.616) 6.904 7.375 ( 0.000 -6.096 1.351) 6.244 7.570 ( 0.000 -4.746 7.444) 8.828 7.762 ( 0.000 -4.434 -2.367) 5.026 8.054 ( 0.000 6.159 -0.383) 6.170 8.082 ( 0.000 -14.790 3.491) 15.197 8.211 ( 0.000 3.601 -5.559) 6.623 8.336 ( 0.000 5.562 3.170) 6.402 8.652 ( 0.000 2.937 7.143) 7.723 8.771 ( 0.000 1.402 -1.250) 1.878 8.936 ( 0.000 1.949 0.906) 2.150 9.481 ( 0.000 7.468 -9.233) 11.875 10.271 ( 0.000 1.404 2.845) 3.173 10.369 ( 0.000 0.732 -5.327) 5.377 10.467 ( 0.000 -2.760 0.517) 2.808 10.588 ( 0.000 -3.617 -0.487) 3.650 10.748 ( 0.000 -2.501 2.267) 3.375 10.979 ( 0.000 1.947 -3.285) 3.819 11.072 ( 0.000 -0.293 -0.432) 0.522 11.244 ( 0.000 1.568 3.980) 4.278 11.553 ( 0.000 -0.108 3.372) 3.374 11.911 ( 0.000 -0.771 1.806) 1.964 11.983 ( 0.000 1.295 -2.082) 2.452 12.014 ( 0.000 -3.917 -3.331) 5.141 ======================= Grid point 100 (37/125) ======================= q-point: ( 0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 20.794 26.937 20.335) 39.642 2.176 ( 21.706 28.377 23.206) 42.602 3.256 ( 18.574 53.790 17.745) 59.609 4.517 ( 0.742 -9.035 8.572) 12.477 4.695 ( 5.276 -9.078 2.372) 10.764 4.917 ( 7.715 7.539 -6.192) 12.438 5.161 ( -6.230 14.708 1.663) 16.059 5.475 ( -0.939 2.023 5.584) 6.013 5.486 ( 3.800 0.965 -3.525) 5.272 6.215 ( -5.997 -6.205 -5.062) 10.004 6.478 ( -4.666 -6.668 -5.726) 9.951 6.707 ( -2.963 -9.491 -7.081) 12.207 7.070 ( -3.980 -4.976 -4.103) 7.579 7.279 ( -7.327 -5.906 4.485) 10.425 7.635 ( -4.159 -4.169 1.356) 6.042 7.709 ( 3.182 -6.119 1.691) 7.102 7.966 ( -1.792 0.728 0.664) 2.045 8.140 ( 1.590 -10.977 -0.663) 11.112 8.269 ( 4.476 3.673 -4.132) 7.114 8.414 ( 3.909 6.372 2.114) 7.769 8.576 ( -3.072 4.293 5.258) 7.451 8.846 ( 4.304 0.191 -0.323) 4.320 8.964 ( 2.790 1.331 1.353) 3.374 9.422 ( -5.169 8.247 -6.398) 11.648 10.233 ( -3.231 1.621 3.280) 4.881 10.336 ( -2.184 0.247 -3.138) 3.831 10.501 ( 2.146 -1.570 -1.168) 2.904 10.608 ( 1.771 -2.915 -0.701) 3.482 10.761 ( 1.563 -3.052 2.024) 3.982 10.977 ( -0.200 1.683 -3.177) 3.600 11.068 ( -0.244 -0.243 -1.583) 1.620 11.282 ( 2.817 1.753 3.464) 4.797 11.548 ( -0.473 -1.085 3.235) 3.445 11.865 ( -3.600 -0.663 1.053) 3.809 11.978 ( -0.402 1.501 -2.099) 2.612 12.028 ( 0.648 -2.707 -1.597) 3.209 ======================= Grid point 101 (38/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 22.414 22.209 22.512) 38.761 2.741 ( 28.353 27.687 8.814) 40.597 3.811 ( 34.501 35.148 15.188) 51.540 4.502 ( -3.704 -0.007 4.455) 5.793 4.827 ( 7.022 -8.734 2.383) 11.457 4.972 ( -10.072 15.179 2.343) 18.367 5.141 ( 12.466 5.035 -5.653) 14.584 5.443 ( 0.603 0.121 5.570) 5.603 5.630 ( 8.313 -2.047 -1.111) 8.633 6.063 ( -8.538 -6.366 -4.623) 11.610 6.356 ( -7.244 -5.042 -5.341) 10.316 6.593 ( -8.283 -7.512 -6.028) 12.703 6.968 ( -5.831 -5.523 -2.632) 8.451 7.125 ( -7.066 -5.321 4.850) 10.087 7.434 ( -10.490 -5.088 1.547) 11.761 7.879 ( 8.688 -4.059 -1.511) 9.708 7.985 ( 3.228 -2.588 0.492) 4.167 8.160 ( -3.435 -0.206 -2.781) 4.425 8.247 ( -3.362 -3.916 3.245) 6.096 8.472 ( 4.555 3.490 -3.008) 6.479 8.634 ( 6.122 5.058 3.396) 8.637 8.902 ( 1.230 -0.770 -1.446) 2.049 9.030 ( 2.593 1.294 1.015) 3.071 9.308 ( -5.350 7.526 -1.322) 9.329 10.163 ( -3.337 2.194 3.882) 5.569 10.290 ( -2.623 0.279 -1.269) 2.928 10.542 ( 2.268 -0.203 -1.669) 2.823 10.657 ( 2.957 -1.553 -0.860) 3.449 10.804 ( 2.299 -2.775 -0.048) 3.604 10.968 ( -0.772 0.875 -2.711) 2.951 11.059 ( -0.747 -1.021 -1.698) 2.118 11.327 ( 1.021 2.210 2.023) 3.165 11.539 ( -0.013 -1.839 2.963) 3.487 11.792 ( -3.357 0.620 0.815) 3.510 11.968 ( -0.544 1.596 -1.333) 2.149 12.029 ( -0.504 -1.124 -0.091) 1.235 ======================= Grid point 102 (39/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 25.001 18.345 15.954) 34.873 3.273 ( 24.677 27.703 7.263) 37.804 4.286 ( -10.359 5.626 5.038) 12.820 4.480 ( 7.645 20.774 7.581) 23.399 4.772 ( 6.888 14.685 6.476) 17.465 5.031 ( 10.145 -7.675 -2.044) 12.884 5.421 ( 14.360 1.613 -5.415) 15.431 5.528 ( 7.399 -3.380 3.971) 9.052 5.790 ( 6.478 -1.624 1.256) 6.795 5.883 ( -8.778 -5.790 -4.601) 11.478 6.191 ( -8.787 -3.466 -3.989) 10.254 6.379 ( -12.495 -6.910 -1.323) 14.339 6.863 ( -3.094 -6.510 -0.051) 7.208 7.022 ( -2.835 -3.463 2.243) 5.006 7.256 ( -6.838 -4.473 0.803) 8.211 7.838 ( -18.291 6.110 2.503) 19.446 8.015 ( 4.680 -2.985 -4.416) 7.093 8.166 ( 7.765 -2.314 0.296) 8.108 8.299 ( 5.187 -7.244 -1.036) 8.969 8.549 ( 2.179 -0.601 -2.316) 3.236 8.757 ( 5.536 4.275 1.729) 7.205 8.904 ( -0.778 -1.084 -1.610) 2.091 9.038 ( -1.620 3.200 -1.614) 3.933 9.227 ( -2.634 4.597 3.706) 6.466 10.110 ( -1.624 2.726 4.148) 5.223 10.226 ( -3.666 0.903 0.900) 3.881 10.601 ( 3.435 0.732 -2.770) 4.473 10.713 ( 2.032 -0.011 -1.868) 2.760 10.852 ( 2.656 -1.121 -1.662) 3.328 10.948 ( -1.074 -0.089 -1.623) 1.948 11.039 ( -1.079 -2.283 -1.009) 2.719 11.300 ( -3.559 0.286 1.551) 3.893 11.567 ( 2.757 0.135 1.954) 3.382 11.735 ( -2.233 1.961 0.981) 3.129 11.959 ( -0.288 1.480 -0.344) 1.546 12.013 ( -0.994 -0.059 0.835) 1.300 ======================= Grid point 103 (40/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 23.745 14.733 9.914) 29.651 3.728 ( 15.985 22.150 6.035) 27.974 3.965 ( -13.899 14.166 7.579) 21.244 4.221 ( -19.518 21.629 7.136) 29.995 5.171 ( 13.618 -1.346 0.781) 13.706 5.231 ( 8.132 -4.286 -2.658) 9.569 5.679 ( 7.230 -2.652 -2.152) 7.996 5.698 ( 8.419 -1.038 -3.802) 9.296 5.742 ( -1.806 -3.720 -4.388) 6.029 5.849 ( -1.642 -2.994 1.089) 3.584 6.032 ( -4.936 -2.472 1.544) 5.732 6.120 ( -11.666 -6.910 4.280) 14.219 6.905 ( 6.940 -4.363 2.111) 8.465 6.998 ( -0.864 -2.265 1.018) 2.629 7.179 ( 1.210 -1.137 0.559) 1.752 7.424 ( -20.055 5.012 2.798) 20.860 8.097 ( 2.650 -1.302 -6.524) 7.161 8.271 ( 2.179 -1.595 -1.246) 2.974 8.434 ( 6.923 -6.057 -0.408) 9.208 8.546 ( -2.491 -5.382 0.622) 5.963 8.834 ( 1.514 3.876 -2.752) 4.989 8.886 ( -0.464 0.711 -1.591) 1.803 9.005 ( -0.778 3.079 -0.424) 3.204 9.186 ( -1.400 3.305 5.771) 6.796 10.103 ( 0.981 2.630 3.757) 4.689 10.153 ( -3.175 1.885 2.845) 4.662 10.666 ( 2.457 1.278 -3.892) 4.777 10.727 ( -0.444 1.361 -3.250) 3.551 10.904 ( 1.589 -0.084 -2.228) 2.738 10.935 ( 0.039 -0.590 -0.486) 0.765 11.028 ( 0.237 -2.840 -1.366) 3.161 11.216 ( -3.551 -1.506 2.782) 4.755 11.627 ( 2.441 1.836 0.569) 3.107 11.697 ( -1.549 2.332 1.518) 3.185 11.957 ( 0.077 1.121 0.191) 1.140 11.994 ( -0.655 0.635 1.473) 1.732 ======================= Grid point 108 (41/125) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 0.000 33.934 12.470) 36.153 2.570 ( 0.000 28.894 27.045) 39.576 3.973 ( 0.000 5.035 12.347) 13.335 4.306 ( 0.000 -21.801 5.617) 22.513 4.460 ( 0.000 29.647 10.162) 31.341 5.035 ( 0.000 10.302 -5.552) 11.703 5.441 ( 0.000 5.925 -4.880) 7.676 5.503 ( 0.000 7.942 -2.937) 8.468 5.678 ( 0.000 10.119 4.721) 11.166 6.158 ( 0.000 -5.679 -4.603) 7.310 6.375 ( 0.000 -7.561 -5.574) 9.394 6.509 ( 0.000 -10.196 -6.280) 11.975 7.036 ( 0.000 -2.794 -7.261) 7.780 7.250 ( 0.000 -6.089 1.535) 6.279 7.485 ( 0.000 -4.453 5.973) 7.450 7.645 ( 0.000 -24.655 3.384) 24.886 7.672 ( 0.000 -4.012 0.766) 4.085 8.192 ( 0.000 7.161 -1.579) 7.333 8.325 ( 0.000 4.773 -3.975) 6.212 8.429 ( 0.000 3.283 3.359) 4.697 8.717 ( 0.000 3.319 8.932) 9.529 8.807 ( 0.000 1.979 -2.620) 3.283 8.949 ( 0.000 -0.731 -0.377) 0.822 9.599 ( 0.000 4.385 -8.407) 9.482 10.300 ( 0.000 1.368 3.858) 4.093 10.382 ( 0.000 0.445 -4.739) 4.760 10.419 ( 0.000 -1.803 1.309) 2.229 10.521 ( 0.000 -2.799 0.021) 2.799 10.719 ( 0.000 -0.496 0.467) 0.681 11.011 ( 0.000 1.251 -3.133) 3.374 11.060 ( 0.000 -0.810 -0.557) 0.983 11.279 ( 0.000 1.734 4.315) 4.651 11.542 ( 0.000 -1.192 1.728) 2.099 11.898 ( 0.000 -0.542 2.468) 2.527 11.926 ( 0.000 -3.907 -0.514) 3.941 12.008 ( 0.000 1.094 -2.169) 2.430 ======================= Grid point 109 (42/125) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 13.448 28.649 15.919) 35.427 2.751 ( 19.082 28.413 18.887) 39.091 4.047 ( 7.019 0.866 11.561) 13.553 4.374 ( 6.557 -14.215 5.049) 16.449 4.558 ( 9.120 26.457 9.641) 29.599 5.081 ( 4.470 8.504 -5.707) 11.174 5.424 ( -4.196 10.365 -2.610) 11.482 5.510 ( 3.126 3.150 -4.118) 6.054 5.626 ( -4.754 9.757 5.366) 12.108 6.094 ( -5.905 -5.519 -4.225) 9.120 6.336 ( -3.101 -6.524 -5.743) 9.228 6.511 ( -1.040 -9.188 -6.319) 11.200 6.983 ( -5.149 -3.907 -5.578) 8.538 7.171 ( -5.871 -4.508 3.654) 8.255 7.542 ( -7.023 -5.572 2.493) 9.305 7.597 ( 4.285 -7.048 1.166) 8.330 7.661 ( 2.359 -19.954 4.149) 20.517 8.160 ( -0.455 5.867 -2.402) 6.356 8.357 ( 1.554 4.320 -3.357) 5.688 8.521 ( 5.348 3.598 2.183) 6.805 8.657 ( -3.035 3.682 4.724) 6.714 8.857 ( 2.847 0.852 -1.432) 3.299 8.974 ( 2.780 -0.432 1.794) 3.337 9.550 ( -4.654 4.676 -7.137) 9.719 10.268 ( -2.682 1.730 4.057) 5.162 10.341 ( -2.221 0.232 -1.846) 2.897 10.472 ( 3.311 -1.181 -1.180) 3.708 10.551 ( 2.646 -2.521 -0.023) 3.655 10.717 ( 0.411 -1.343 0.907) 1.672 11.006 ( -0.754 1.108 -3.292) 3.554 11.066 ( 0.350 -0.085 -1.374) 1.421 11.319 ( 3.311 1.850 3.874) 5.421 11.523 ( -1.721 -1.769 1.943) 3.141 11.851 ( -2.758 -0.730 1.373) 3.166 11.964 ( 1.756 -2.859 0.651) 3.418 12.007 ( -0.006 1.206 -2.011) 2.345 ======================= Grid point 110 (43/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 18.494 24.128 16.460) 34.570 3.253 ( 27.256 23.635 8.815) 37.138 4.228 ( 9.593 -6.095 8.880) 14.424 4.560 ( 11.222 -9.876 4.187) 15.524 4.782 ( 11.278 28.042 6.842) 30.990 5.194 ( 3.627 5.345 -4.757) 8.022 5.309 ( -3.272 11.074 -2.022) 11.723 5.496 ( -5.108 5.608 5.268) 9.236 5.642 ( 7.947 3.824 -0.476) 8.833 5.947 ( -8.129 -4.888 -4.234) 10.388 6.254 ( -5.290 -4.440 -5.116) 8.595 6.434 ( -6.935 -7.547 -4.964) 11.388 6.844 ( -7.758 -6.407 -1.615) 10.190 7.059 ( -4.727 -1.448 2.738) 5.651 7.320 ( -10.791 -5.474 3.273) 12.535 7.692 ( 4.607 -20.365 1.740) 20.952 7.824 ( 11.422 -3.851 -0.399) 12.060 8.189 ( 2.622 4.010 -4.101) 6.307 8.302 ( -8.578 4.675 1.612) 9.901 8.531 ( -1.161 1.707 1.199) 2.387 8.712 ( 5.888 2.642 -0.778) 6.501 8.892 ( 1.004 -0.024 -2.934) 3.101 9.054 ( 4.121 0.962 3.796) 5.685 9.428 ( -6.860 4.424 -4.042) 9.109 10.210 ( -2.765 2.326 4.286) 5.606 10.297 ( -2.328 0.386 -0.152) 2.365 10.539 ( 3.573 0.037 -1.594) 3.913 10.622 ( 4.145 -1.854 -0.226) 4.547 10.750 ( 2.734 -2.301 -0.052) 3.574 10.979 ( -1.793 0.281 -2.674) 3.231 11.062 ( -0.986 0.905 -1.671) 2.141 11.365 ( -0.609 1.414 1.742) 2.325 11.503 ( 1.334 -1.841 2.824) 3.625 11.802 ( -1.970 0.433 1.150) 2.321 11.982 ( 0.172 -1.041 0.569) 1.199 12.011 ( 0.319 0.565 -0.973) 1.169 ======================= Grid point 111 (44/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 21.110 20.145 12.198) 31.627 3.775 ( 23.345 21.230 4.706) 31.903 4.351 ( 0.023 -0.526 5.465) 5.490 4.764 ( 5.677 -7.847 2.093) 9.909 4.955 ( 4.940 17.678 3.403) 18.668 5.099 ( -3.080 10.836 0.398) 11.272 5.454 ( 10.833 1.485 -4.638) 11.877 5.484 ( 5.004 0.129 4.470) 6.711 5.774 ( -6.485 -3.417 -4.402) 8.550 5.818 ( 4.741 4.180 2.129) 6.670 6.125 ( -6.821 -2.686 -3.100) 7.959 6.233 ( -12.448 -6.897 -0.309) 14.235 6.731 ( -0.970 -5.291 1.447) 5.570 6.993 ( -1.641 0.247 1.575) 2.288 7.156 ( -4.967 -4.923 1.292) 7.112 7.808 ( 4.859 -16.001 1.985) 16.840 7.970 ( -7.652 4.545 0.448) 8.911 8.118 ( 3.443 -0.200 -0.459) 3.479 8.254 ( 2.835 1.591 -4.896) 5.877 8.493 ( -3.350 -5.145 1.152) 6.247 8.824 ( 4.881 2.514 -3.379) 6.447 8.915 ( 1.386 1.606 -1.336) 2.507 9.103 ( 0.136 3.008 1.185) 3.236 9.301 ( -5.009 2.646 0.386) 5.678 10.166 ( -1.450 2.608 4.253) 5.195 10.244 ( -2.897 0.808 1.618) 3.415 10.621 ( 4.404 1.305 -2.472) 5.216 10.704 ( 3.580 -0.793 -1.146) 3.841 10.821 ( 4.279 -1.821 -1.426) 4.864 10.939 ( -1.924 -0.606 -1.358) 2.432 11.025 ( -2.444 0.754 -0.934) 2.723 11.288 ( -5.739 -1.502 1.105) 6.034 11.577 ( 4.701 0.660 2.176) 5.222 11.770 ( -1.375 1.401 1.066) 2.233 11.981 ( -0.086 0.452 0.538) 0.708 12.013 ( -0.207 0.397 0.207) 0.494 ======================= Grid point 112 (45/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 19.653 15.801 7.782) 26.390 4.081 ( -4.280 12.442 4.407) 13.876 4.314 ( 9.559 18.218 4.634) 21.089 4.627 ( -15.213 15.609 3.406) 22.061 5.077 ( 8.072 -4.077 -2.987) 9.524 5.195 ( 3.933 -1.859 -0.318) 4.362 5.603 ( 5.894 -4.279 1.988) 7.550 5.642 ( 1.210 -3.722 -2.595) 4.696 5.707 ( 6.400 -0.434 -5.398) 8.384 5.799 ( -5.282 -2.112 0.868) 5.755 5.967 ( -9.198 -5.420 4.296) 11.508 6.007 ( -7.332 -2.027 1.320) 7.720 6.847 ( 8.381 -0.781 2.476) 8.774 6.970 ( -1.823 -0.835 2.260) 3.021 7.174 ( 9.931 1.710 0.893) 10.117 7.543 ( -21.709 6.510 3.772) 22.976 8.023 ( 8.164 -8.024 -0.809) 11.475 8.196 ( -2.180 -4.499 -1.797) 5.312 8.325 ( 4.498 -4.393 -3.643) 7.267 8.416 ( -3.107 -6.033 -1.643) 6.982 8.903 ( 2.799 3.137 -4.058) 5.843 8.939 ( 0.342 3.071 0.485) 3.128 9.075 ( -1.572 3.921 -1.726) 4.564 9.235 ( -1.708 1.270 4.029) 4.557 10.156 ( 0.458 2.383 3.775) 4.487 10.189 ( -2.232 1.578 3.113) 4.143 10.701 ( 2.800 2.091 -3.697) 5.087 10.751 ( 0.932 0.917 -3.022) 3.292 10.902 ( 1.516 -0.305 -1.889) 2.441 10.914 ( 0.307 -1.131 0.155) 1.183 10.987 ( -0.047 -1.069 -0.567) 1.211 11.169 ( -5.005 -3.070 2.094) 6.234 11.665 ( 3.510 1.767 1.050) 4.067 11.738 ( -1.829 1.619 1.418) 2.824 11.981 ( 0.087 1.132 0.456) 1.224 12.005 ( -0.341 0.511 1.090) 1.252 ======================= Grid point 117 (46/125) ======================= q-point: ( 0.00 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 0.000 28.710 9.109) 30.120 3.129 ( 0.000 25.464 20.377) 32.613 3.670 ( 0.000 -21.190 17.475) 27.466 3.810 ( 0.000 -25.090 8.691) 26.553 5.084 ( 0.000 10.491 -3.378) 11.021 5.359 ( 0.000 24.560 1.358) 24.598 5.519 ( 0.000 1.888 -3.887) 4.321 5.650 ( 0.000 5.319 -1.686) 5.580 5.832 ( 0.000 3.383 -1.447) 3.679 6.051 ( 0.000 -4.997 -3.271) 5.972 6.259 ( 0.000 -3.114 -5.349) 6.189 6.359 ( 0.000 -3.792 -5.174) 6.415 6.999 ( 0.000 -0.819 -8.126) 8.168 7.121 ( 0.000 -19.323 3.670) 19.668 7.149 ( 0.000 -3.161 2.052) 3.769 7.456 ( 0.000 -1.341 7.208) 7.332 7.613 ( 0.000 -1.548 2.539) 2.974 8.323 ( 0.000 4.877 -0.927) 4.964 8.388 ( 0.000 1.489 -3.681) 3.970 8.455 ( 0.000 -0.515 1.259) 1.361 8.772 ( 0.000 1.629 9.110) 9.255 8.852 ( 0.000 2.676 -2.036) 3.362 8.911 ( 0.000 -2.768 -1.315) 3.064 9.659 ( 0.000 1.475 -8.348) 8.477 10.322 ( 0.000 0.653 4.781) 4.825 10.386 ( 0.000 0.015 -4.510) 4.510 10.397 ( 0.000 -0.409 1.754) 1.801 10.480 ( 0.000 -1.123 0.314) 1.166 10.720 ( 0.000 0.259 -0.394) 0.471 11.030 ( 0.000 0.617 -1.750) 1.855 11.044 ( 0.000 -0.678 -1.876) 1.995 11.308 ( 0.000 0.875 4.938) 5.015 11.510 ( 0.000 -1.347 0.227) 1.366 11.874 ( 0.000 -1.215 1.041) 1.601 11.890 ( 0.000 -0.183 2.804) 2.810 12.024 ( 0.000 0.427 -2.137) 2.179 ======================= Grid point 118 (47/125) ======================= q-point: ( 0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 7.990 24.289 12.690) 28.545 3.304 ( 15.355 24.799 13.865) 32.296 3.735 ( 7.029 -20.614 14.384) 26.101 3.953 ( 12.622 -21.426 9.559) 26.641 5.131 ( 4.605 8.837 -3.502) 10.562 5.339 ( -1.546 16.650 -0.797) 16.740 5.567 ( -0.797 4.340 -2.466) 5.055 5.620 ( 2.262 9.329 -0.043) 9.600 5.786 ( -4.383 3.778 -0.649) 5.823 5.994 ( -5.011 -4.334 -3.556) 7.519 6.249 ( -1.108 -1.659 -5.075) 5.453 6.368 ( -0.021 -4.184 -5.220) 6.690 6.915 ( -7.651 -2.049 -4.153) 8.944 7.104 ( -2.372 -3.537 1.945) 4.682 7.153 ( 2.250 -17.070 3.873) 17.648 7.490 ( -10.827 -1.751 3.883) 11.634 7.555 ( 8.690 -1.473 2.874) 9.271 8.256 ( -1.779 2.798 -2.938) 4.430 8.434 ( 0.158 2.883 -0.172) 2.893 8.548 ( 6.615 -0.416 -1.331) 6.761 8.718 ( -3.522 1.823 4.759) 6.195 8.876 ( 0.667 0.761 -3.115) 3.275 8.955 ( 4.700 -1.012 3.681) 6.055 9.613 ( -4.469 1.554 -7.634) 8.981 10.296 ( -2.156 0.830 4.786) 5.314 10.345 ( -2.046 0.124 -1.013) 2.286 10.456 ( 3.770 -0.370 -1.454) 4.057 10.513 ( 2.896 -1.086 0.440) 3.124 10.703 ( -0.721 -0.216 0.523) 0.916 11.022 ( -1.323 0.452 -3.503) 3.771 11.064 ( 1.702 -0.063 -1.282) 2.132 11.352 ( 3.980 1.155 4.664) 6.239 11.481 ( -2.788 -1.749 0.498) 3.328 11.839 ( -1.849 -0.314 1.659) 2.504 11.926 ( 1.934 -0.852 1.907) 2.847 12.025 ( 0.092 0.471 -1.931) 1.990 ======================= Grid point 119 (48/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 14.269 19.549 10.957) 26.568 3.692 ( 21.467 18.012 8.953) 29.418 3.953 ( 14.052 -15.551 10.533) 23.457 4.256 ( 15.934 -15.411 7.758) 23.486 5.255 ( 5.839 7.259 -2.965) 9.776 5.290 ( -3.309 5.960 -3.943) 7.874 5.469 ( -3.903 3.693 0.100) 5.374 5.619 ( -8.330 5.848 -0.210) 10.180 5.816 ( 7.987 10.130 1.456) 12.982 5.881 ( -3.913 -0.646 -2.945) 4.940 6.195 ( -4.586 -1.254 -3.960) 6.187 6.321 ( -5.388 -2.946 -3.934) 7.293 6.741 ( -7.873 -2.627 0.694) 8.328 7.054 ( -1.968 0.771 0.691) 2.224 7.217 ( -4.293 -8.707 3.783) 10.419 7.272 ( -0.459 -11.895 5.301) 13.030 7.778 ( 12.626 -1.104 -2.016) 12.834 8.260 ( 1.538 2.185 -4.922) 5.601 8.387 ( -5.642 2.986 2.138) 6.731 8.532 ( -7.437 -1.017 3.640) 8.342 8.751 ( 5.880 1.176 -4.009) 7.214 8.894 ( 1.563 -0.030 -3.735) 4.049 9.067 ( 5.470 0.300 6.014) 8.135 9.487 ( -7.508 1.473 -5.644) 9.508 10.248 ( -2.401 1.154 4.805) 5.494 10.303 ( -2.229 0.108 0.455) 2.278 10.545 ( 4.973 0.429 -2.043) 5.393 10.588 ( 4.435 -1.192 0.214) 4.597 10.718 ( 2.277 -0.820 0.462) 2.464 10.982 ( -2.504 0.038 -2.729) 3.704 11.082 ( -0.189 0.803 -1.811) 1.990 11.380 ( -4.818 0.090 0.636) 4.861 11.472 ( 5.147 -0.897 3.599) 6.344 11.809 ( -1.144 0.197 1.415) 1.831 11.960 ( 1.359 -0.654 1.628) 2.219 12.027 ( 0.055 0.502 -1.335) 1.427 ======================= Grid point 120 (49/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 16.560 14.570 8.198) 23.531 4.094 ( 15.854 5.897 5.257) 17.713 4.281 ( 17.686 -0.573 6.536) 18.864 4.557 ( 13.106 -10.130 4.531) 17.173 5.138 ( -7.294 2.417 -1.922) 7.920 5.332 ( -6.233 8.209 -0.760) 10.335 5.477 ( 4.957 0.852 -2.028) 5.423 5.501 ( 1.890 0.371 -0.918) 2.134 5.730 ( -6.487 -0.581 -4.971) 8.193 5.929 ( -6.029 2.484 1.184) 6.628 6.101 ( -3.736 0.630 -0.502) 3.822 6.142 ( -11.355 -1.505 0.581) 11.469 6.700 ( 6.091 2.260 3.928) 7.592 7.024 ( -3.445 1.988 2.408) 4.650 7.082 ( 0.572 -0.992 0.590) 1.289 7.439 ( 10.894 -16.252 5.005) 20.196 8.022 ( 8.581 0.629 -4.331) 9.633 8.192 ( -11.322 6.632 2.756) 13.408 8.287 ( -1.974 0.479 -4.199) 4.664 8.360 ( -6.360 -6.883 0.644) 9.394 8.867 ( 5.214 1.403 -4.455) 7.000 8.938 ( 2.555 0.487 -1.916) 3.230 9.149 ( 2.282 1.332 4.737) 5.424 9.334 ( -6.983 0.731 -3.255) 7.739 10.207 ( -1.488 1.214 4.552) 4.941 10.255 ( -2.407 0.272 1.939) 3.103 10.652 ( 5.330 1.567 -2.558) 6.116 10.683 ( 4.635 -1.252 -1.118) 4.930 10.790 ( 4.698 -0.978 -0.362) 4.813 10.928 ( -2.596 -0.387 -1.351) 2.953 11.053 ( -2.678 1.323 -1.067) 3.172 11.251 ( -7.280 -1.598 0.554) 7.474 11.589 ( 5.726 0.361 2.538) 6.273 11.790 ( -0.932 0.528 1.159) 1.579 11.981 ( 0.855 -0.110 1.458) 1.694 12.025 ( -0.289 0.450 -0.469) 0.712 ======================= Grid point 121 (50/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( 14.411 9.560 5.788) 18.237 4.239 ( -2.691 2.955 4.615) 6.105 4.611 ( 13.146 9.956 2.625) 16.698 4.739 ( 2.858 -2.152 1.426) 3.851 5.072 ( 0.204 -0.491 -2.239) 2.301 5.175 ( -4.661 2.167 -0.101) 5.142 5.542 ( 0.131 -0.815 -0.749) 1.115 5.575 ( 1.303 -2.944 -2.761) 4.241 5.703 ( 3.794 0.323 -3.776) 5.363 5.743 ( -5.752 -3.021 2.249) 6.875 5.904 ( -8.118 -0.502 4.669) 9.378 5.977 ( -8.467 -1.302 -0.076) 8.567 6.863 ( 5.536 1.364 1.805) 5.980 6.949 ( -2.951 -1.126 1.405) 3.457 7.285 ( 17.998 8.377 3.710) 20.196 7.606 ( -2.802 -4.388 5.521) 7.588 7.884 ( -4.040 1.386 3.551) 5.555 8.057 ( -12.065 -9.610 2.801) 15.676 8.272 ( 5.245 -0.367 -7.712) 9.333 8.345 ( -0.210 -1.590 -7.987) 8.146 8.954 ( 3.125 1.586 -2.236) 4.157 8.980 ( 0.995 0.846 0.495) 1.397 9.157 ( -0.899 3.721 -0.075) 3.829 9.232 ( -2.614 -1.468 0.395) 3.024 10.192 ( 0.101 1.048 3.944) 4.082 10.212 ( -1.665 0.616 3.130) 3.598 10.740 ( 2.947 1.420 -3.207) 4.582 10.762 ( 2.322 0.172 -3.822) 4.475 10.888 ( 2.454 -0.471 -0.514) 2.551 10.896 ( 1.118 -0.948 -0.496) 1.547 10.994 ( -1.616 1.378 0.707) 2.238 11.103 ( -6.625 -2.804 1.121) 7.281 11.692 ( 4.265 0.759 1.623) 4.626 11.760 ( -2.192 0.558 1.252) 2.586 11.997 ( 0.744 0.384 1.055) 1.347 12.014 ( -0.662 0.308 0.488) 0.879 ======================= Grid point 162 (51/125) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.000 0.000 36.710) 36.710 1.544 ( 0.000 0.000 37.747) 37.747 2.900 ( 0.000 0.000 64.795) 64.795 4.415 ( 0.000 0.000 -13.352) 13.352 4.544 ( 0.000 0.000 -13.326) 13.326 5.028 ( 0.000 0.000 15.208) 15.208 5.031 ( 0.000 0.000 10.875) 10.875 5.346 ( 0.000 0.000 -0.362) 0.362 5.728 ( 0.000 0.000 9.378) 9.378 6.323 ( 0.000 0.000 -9.565) 9.565 6.487 ( 0.000 0.000 -7.860) 7.860 6.781 ( 0.000 0.000 -12.985) 12.985 7.258 ( 0.000 0.000 -4.501) 4.501 7.587 ( 0.000 0.000 0.374) 0.374 7.707 ( 0.000 0.000 -2.815) 2.815 7.753 ( 0.000 0.000 -3.755) 3.755 7.919 ( 0.000 0.000 -5.410) 5.410 8.183 ( 0.000 0.000 0.160) 0.160 8.219 ( 0.000 0.000 4.339) 4.339 8.487 ( 0.000 0.000 -0.262) 0.262 8.680 ( 0.000 0.000 6.504) 6.504 8.803 ( 0.000 0.000 1.930) 1.930 8.922 ( 0.000 0.000 0.660) 0.660 8.926 ( 0.000 0.000 4.671) 4.671 10.213 ( 0.000 0.000 -6.085) 6.085 10.307 ( 0.000 0.000 3.929) 3.929 10.470 ( 0.000 0.000 -6.375) 6.375 10.667 ( 0.000 0.000 -1.611) 1.611 10.890 ( 0.000 0.000 1.417) 1.417 10.991 ( 0.000 0.000 2.119) 2.119 11.042 ( 0.000 0.000 -2.202) 2.202 11.307 ( 0.000 0.000 2.667) 2.667 11.587 ( 0.000 0.000 -3.605) 3.605 11.849 ( 0.000 0.000 -5.023) 5.023 11.898 ( 0.000 0.000 0.180) 0.180 11.999 ( 0.000 0.000 2.623) 2.623 ======================= Grid point 163 (52/125) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 18.131 0.000 33.602) 38.181 1.957 ( 34.227 0.000 28.693) 44.663 3.074 ( 18.126 0.000 58.890) 61.616 4.532 ( 11.103 0.000 -12.751) 16.908 4.562 ( 1.112 0.000 -10.250) 10.310 4.956 ( -7.363 0.000 11.001) 13.238 5.007 ( -1.601 0.000 10.310) 10.434 5.369 ( 2.231 0.000 0.935) 2.419 5.770 ( 3.993 0.000 8.943) 9.794 6.258 ( -6.102 0.000 -9.553) 11.336 6.447 ( -3.839 0.000 -7.324) 8.269 6.723 ( -5.597 0.000 -12.553) 13.744 7.185 ( -5.396 0.000 -4.038) 6.739 7.579 ( -8.207 0.000 -3.008) 8.740 7.585 ( -2.205 0.000 4.558) 5.063 7.833 ( 4.002 0.000 -2.898) 4.941 7.937 ( 2.856 0.000 -8.047) 8.539 8.194 ( 1.178 0.000 -0.764) 1.404 8.195 ( -2.898 0.000 3.467) 4.519 8.496 ( 0.662 0.000 2.988) 3.060 8.689 ( 1.491 0.000 5.753) 5.943 8.798 ( 0.511 0.000 -0.142) 0.530 8.957 ( 2.623 0.000 0.036) 2.623 8.994 ( 5.128 0.000 4.210) 6.634 10.215 ( 0.158 0.000 -5.633) 5.635 10.275 ( -2.822 0.000 4.424) 5.247 10.477 ( 0.523 0.000 -5.607) 5.631 10.663 ( -0.519 0.000 -1.623) 1.704 10.883 ( -0.584 0.000 0.866) 1.045 10.926 ( -3.883 0.000 0.813) 3.967 11.082 ( 2.990 0.000 -1.228) 3.233 11.294 ( -1.305 0.000 2.315) 2.658 11.628 ( 2.343 0.000 -3.767) 4.436 11.856 ( -3.490 0.000 1.581) 3.831 11.859 ( 0.982 0.000 -4.154) 4.269 12.012 ( 0.801 0.000 1.560) 1.754 ======================= Grid point 164 (53/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 26.735 0.000 26.660) 37.756 2.622 ( 28.399 0.000 28.962) 40.562 3.662 ( 38.484 0.000 38.039) 54.111 4.533 ( -5.541 0.000 0.377) 5.554 4.736 ( -12.384 0.000 10.677) 16.351 4.839 ( 16.802 0.000 -10.524) 19.826 5.009 ( 3.039 0.000 -0.721) 3.123 5.436 ( 4.423 0.000 0.636) 4.468 5.872 ( 5.425 0.000 6.570) 8.521 6.092 ( -9.836 0.000 -9.626) 13.762 6.341 ( -6.323 0.000 -5.355) 8.286 6.578 ( -7.922 0.000 -10.884) 13.462 7.076 ( -5.152 0.000 -3.025) 5.975 7.410 ( -8.101 0.000 -1.699) 8.277 7.488 ( -6.489 0.000 8.393) 10.609 7.906 ( 2.859 0.000 -2.648) 3.897 8.038 ( 6.573 0.000 -10.398) 12.302 8.070 ( -9.446 0.000 4.198) 10.337 8.223 ( 1.259 0.000 -3.052) 3.301 8.523 ( 2.283 0.000 4.735) 5.257 8.747 ( 4.075 0.000 5.069) 6.504 8.825 ( 1.407 0.000 -1.952) 2.407 9.013 ( 2.868 0.000 -0.834) 2.987 9.086 ( 3.485 0.000 4.689) 5.842 10.209 ( -3.353 0.000 5.466) 6.413 10.217 ( -0.158 0.000 -3.922) 3.926 10.488 ( 0.615 0.000 -4.313) 4.357 10.646 ( -1.055 0.000 -2.620) 2.825 10.871 ( -0.511 0.000 -0.510) 0.722 10.875 ( -1.241 0.000 -0.498) 1.337 11.146 ( 2.832 0.000 -2.343) 3.676 11.255 ( -2.436 0.000 1.355) 2.787 11.646 ( -0.347 0.000 -1.578) 1.616 11.778 ( -3.846 0.000 3.203) 5.006 11.886 ( 1.584 0.000 -2.135) 2.659 12.021 ( 0.093 0.000 0.765) 0.771 ======================= Grid point 165 (54/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 28.570 0.000 21.276) 35.622 3.124 ( 22.564 0.000 28.941) 36.698 4.273 ( -4.718 0.000 16.111) 16.787 4.329 ( -13.924 0.000 9.865) 17.064 4.638 ( 26.307 0.000 16.186) 30.888 5.130 ( 7.985 0.000 -5.853) 9.901 5.206 ( 17.657 0.000 -10.786) 20.690 5.540 ( 5.360 0.000 -3.204) 6.245 5.879 ( -10.717 0.000 -9.566) 14.365 5.946 ( 0.047 0.000 -1.123) 1.124 6.223 ( -3.856 0.000 0.720) 3.922 6.424 ( -7.055 0.000 -7.794) 10.513 6.994 ( -2.143 0.000 -0.766) 2.275 7.264 ( -6.036 0.000 0.675) 6.073 7.354 ( -6.178 0.000 9.215) 11.094 7.759 ( -16.762 0.000 5.700) 17.705 8.014 ( 3.802 0.000 -2.569) 4.589 8.171 ( 4.462 0.000 -7.456) 8.690 8.248 ( 3.010 0.000 -7.833) 8.391 8.566 ( 0.832 0.000 1.145) 1.415 8.838 ( 4.339 0.000 4.540) 6.281 8.845 ( 1.074 0.000 -1.213) 1.620 9.068 ( 2.375 0.000 0.703) 2.476 9.129 ( 0.760 0.000 5.398) 5.452 10.152 ( -1.939 0.000 6.146) 6.444 10.203 ( -1.278 0.000 -0.547) 1.390 10.505 ( 1.200 0.000 -4.524) 4.680 10.621 ( -1.478 0.000 -4.520) 4.755 10.865 ( 0.012 0.000 -1.701) 1.701 10.866 ( 0.217 0.000 -1.262) 1.280 11.179 ( 0.248 0.000 -3.339) 3.349 11.203 ( -2.511 0.000 0.112) 2.513 11.635 ( -0.234 0.000 1.355) 1.375 11.711 ( -2.656 0.000 4.045) 4.839 11.921 ( 1.822 0.000 -0.330) 1.851 12.015 ( -0.732 0.000 0.621) 0.960 ======================= Grid point 166 (55/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 26.237 0.000 17.486) 31.530 3.545 ( 17.091 0.000 22.407) 28.181 3.912 ( -19.880 0.000 16.322) 25.722 4.001 ( -17.556 0.000 16.898) 24.367 5.235 ( 19.145 0.000 6.006) 20.065 5.293 ( 6.819 0.000 -4.672) 8.266 5.520 ( 13.756 0.000 -10.508) 17.310 5.624 ( 2.178 0.000 -7.174) 7.497 5.695 ( -5.657 0.000 -9.096) 10.712 5.821 ( -11.482 0.000 -7.518) 13.724 6.223 ( 2.725 0.000 3.827) 4.698 6.301 ( -4.989 0.000 -2.070) 5.401 7.029 ( 6.257 0.000 2.569) 6.764 7.165 ( -4.572 0.000 3.427) 5.714 7.267 ( -1.303 0.000 8.494) 8.594 7.401 ( -15.680 0.000 7.444) 17.357 8.098 ( 4.071 0.000 -3.897) 5.636 8.168 ( -2.582 0.000 -4.432) 5.129 8.384 ( 7.955 0.000 -9.697) 12.543 8.523 ( -5.051 0.000 -5.516) 7.479 8.883 ( 2.200 0.000 1.815) 2.852 8.899 ( 1.174 0.000 3.522) 3.713 9.103 ( 1.189 0.000 3.668) 3.856 9.124 ( -0.894 0.000 5.408) 5.481 10.138 ( 0.570 0.000 5.557) 5.586 10.168 ( -1.971 0.000 3.201) 3.759 10.539 ( 2.069 0.000 -5.651) 6.018 10.584 ( -2.191 0.000 -5.735) 6.139 10.871 ( 0.434 0.000 -2.190) 2.232 10.874 ( 0.249 0.000 -1.925) 1.941 11.165 ( -0.985 0.000 -1.149) 1.513 11.166 ( -0.898 0.000 -2.608) 2.758 11.643 ( 0.949 0.000 3.090) 3.233 11.669 ( -1.598 0.000 3.913) 4.227 11.958 ( 1.842 0.000 0.601) 1.938 11.992 ( -1.455 0.000 0.744) 1.634 ======================= Grid point 171 (56/125) ======================= q-point: ( 0.00 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 18.157 32.718) 37.419 1.962 ( 0.000 34.124 28.809) 44.659 3.079 ( 0.000 18.371 59.168) 61.955 4.476 ( 0.000 5.898 -12.794) 14.088 4.581 ( 0.000 3.140 -11.187) 11.620 4.979 ( 0.000 -5.051 15.643) 16.438 5.097 ( 0.000 6.139 7.632) 9.795 5.383 ( 0.000 2.963 0.515) 3.008 5.658 ( 0.000 -5.601 9.205) 10.775 6.253 ( 0.000 -5.342 -8.273) 9.848 6.476 ( 0.000 -2.360 -8.702) 9.016 6.719 ( 0.000 -6.017 -12.277) 13.672 7.171 ( 0.000 -7.384 -4.382) 8.586 7.526 ( 0.000 -4.927 1.575) 5.172 7.718 ( 0.000 0.172 -4.523) 4.527 7.781 ( 0.000 0.352 1.040) 1.097 7.937 ( 0.000 1.943 -4.364) 4.777 8.060 ( 0.000 -5.185 -2.843) 5.913 8.282 ( 0.000 5.614 4.063) 6.930 8.437 ( 0.000 -9.594 4.187) 10.468 8.678 ( 0.000 5.622 4.946) 7.488 8.793 ( 0.000 -0.893 2.473) 2.629 8.936 ( 0.000 0.784 2.839) 2.945 9.109 ( 0.000 11.455 -4.559) 12.329 10.220 ( 0.000 0.700 -6.114) 6.154 10.317 ( 0.000 1.071 3.885) 4.030 10.466 ( 0.000 -0.464 -5.331) 5.351 10.636 ( 0.000 -2.737 -1.258) 3.012 10.901 ( 0.000 1.002 0.440) 1.094 10.909 ( 0.000 -6.241 2.594) 6.759 11.049 ( 0.000 0.539 -1.766) 1.846 11.310 ( 0.000 0.659 3.771) 3.828 11.599 ( 0.000 0.601 -0.991) 1.159 11.859 ( 0.000 0.947 -4.797) 4.890 11.935 ( 0.000 2.229 -2.575) 3.406 11.997 ( 0.000 -0.172 2.664) 2.669 ======================= Grid point 172 (57/125) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 21.742 20.361 26.752) 40.037 2.160 ( 21.920 23.022 27.682) 42.152 3.257 ( 18.118 18.436 53.460) 59.382 4.557 ( 4.887 2.801 -11.036) 12.390 4.621 ( 6.072 5.005 -9.467) 12.310 4.964 ( -1.432 -2.934 10.111) 10.625 5.040 ( -5.312 6.230 9.872) 12.825 5.388 ( 0.739 1.897 0.222) 2.048 5.705 ( 4.440 -5.577 8.846) 11.361 6.198 ( -5.286 -4.840 -8.034) 10.767 6.427 ( -4.491 -2.815 -8.165) 9.735 6.669 ( -4.840 -5.158 -11.863) 13.812 7.112 ( -4.617 -6.235 -4.092) 8.771 7.491 ( -4.621 -5.554 4.094) 8.304 7.640 ( -5.498 1.831 -2.732) 6.406 7.846 ( 3.766 -0.927 -1.104) 4.033 7.901 ( -0.259 -1.296 -3.814) 4.037 8.113 ( 3.218 -3.389 -4.615) 6.568 8.274 ( -1.079 5.676 2.560) 6.319 8.485 ( 3.300 -7.410 4.102) 9.090 8.620 ( -2.375 2.520 6.681) 7.525 8.845 ( 3.140 1.565 0.443) 3.536 8.955 ( 1.497 0.671 0.823) 1.835 9.131 ( 2.018 9.277 -1.616) 9.630 10.220 ( -0.050 0.522 -5.299) 5.325 10.288 ( -2.569 1.242 4.205) 5.082 10.474 ( 0.696 -0.254 -4.840) 4.896 10.639 ( 0.161 -2.108 -1.349) 2.508 10.876 ( -1.399 -1.889 0.444) 2.392 10.915 ( -0.529 -0.352 1.531) 1.658 11.046 ( 0.760 -1.752 -1.807) 2.629 11.318 ( 0.272 1.838 2.907) 3.450 11.615 ( 0.974 -0.920 -0.986) 1.663 11.852 ( -1.408 0.412 -2.313) 2.739 11.900 ( -1.569 2.208 -1.519) 3.106 12.019 ( 1.127 0.421 0.704) 1.394 ======================= Grid point 173 (58/125) ======================= q-point: ( 0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 23.035 22.807 22.506) 39.462 2.716 ( 27.010 9.049 27.360) 39.497 3.818 ( 35.720 15.357 35.729) 52.804 4.544 ( -5.795 1.475 0.922) 6.050 4.834 ( -8.245 7.987 6.540) 13.212 4.875 ( 12.440 3.928 -8.426) 15.530 5.004 ( 3.679 -0.916 2.229) 4.398 5.429 ( 3.547 -0.306 -0.781) 3.645 5.817 ( 5.742 -4.897 5.889) 9.573 6.052 ( -8.537 -3.627 -7.193) 11.737 6.311 ( -6.534 -3.070 -6.128) 9.469 6.541 ( -7.180 -3.607 -10.336) 13.092 7.015 ( -4.694 -5.296 -3.249) 7.787 7.360 ( -7.288 -4.720 4.929) 9.984 7.493 ( -8.291 0.120 1.909) 8.508 7.904 ( 2.557 -0.792 -2.241) 3.492 7.979 ( 5.780 -2.917 -4.987) 8.172 8.106 ( -5.794 0.155 -0.158) 5.799 8.245 ( -0.227 4.575 -4.213) 6.223 8.524 ( 2.200 -4.764 4.900) 7.180 8.665 ( 5.057 -0.264 4.858) 7.017 8.895 ( 1.612 2.402 -0.978) 3.054 8.980 ( 0.928 -0.770 -0.774) 1.433 9.178 ( 2.314 6.232 2.101) 6.972 10.211 ( -1.525 0.485 0.580) 1.702 10.236 ( -1.697 1.605 1.257) 2.652 10.490 ( 0.848 0.169 -4.011) 4.103 10.641 ( 0.021 -0.473 -2.468) 2.513 10.850 ( -1.045 -1.129 -0.198) 1.551 10.901 ( -0.488 1.376 -0.494) 1.542 11.076 ( 1.397 -4.388 -1.948) 5.000 11.311 ( -0.989 3.390 1.123) 3.705 11.622 ( -0.194 -1.754 0.248) 1.782 11.794 ( -3.355 1.140 2.067) 4.102 11.901 ( 0.988 1.396 -1.968) 2.607 12.030 ( 0.032 0.562 0.311) 0.643 ======================= Grid point 174 (59/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 25.197 16.639 19.075) 35.716 3.214 ( 22.877 8.851 26.112) 35.827 4.322 ( -13.873 3.856 10.141) 17.611 4.417 ( -1.115 9.523 14.229) 17.157 4.734 ( 20.734 8.980 15.167) 27.213 5.098 ( 7.996 -2.822 -4.547) 9.622 5.230 ( 16.000 1.799 -9.684) 18.789 5.525 ( 5.422 -1.156 -3.959) 6.813 5.823 ( -7.866 -4.391 -8.360) 12.290 5.940 ( -1.128 -1.233 -0.633) 1.786 6.193 ( -3.713 -2.797 0.342) 4.661 6.396 ( -7.005 -2.873 -7.196) 10.445 6.946 ( -1.057 -4.205 -0.722) 4.396 7.223 ( -5.816 -4.068 5.466) 8.958 7.336 ( -6.741 -1.475 4.443) 8.207 7.809 ( -16.329 4.382 5.525) 17.787 7.984 ( 2.300 -2.555 -2.745) 4.400 8.135 ( 5.512 -2.773 -6.514) 8.972 8.276 ( 3.489 2.528 -8.619) 9.636 8.585 ( 2.683 -1.249 2.659) 3.979 8.750 ( 2.597 -1.488 1.304) 3.265 8.916 ( 0.921 1.856 -0.276) 2.090 8.998 ( 1.089 -3.432 1.977) 4.108 9.211 ( 0.771 4.874 3.409) 5.997 10.169 ( -1.681 1.562 5.703) 6.147 10.214 ( -1.206 1.133 0.075) 1.656 10.512 ( 1.463 0.676 -4.403) 4.689 10.633 ( -1.015 0.992 -4.265) 4.495 10.842 ( 0.318 -0.783 -1.196) 1.465 10.897 ( 0.062 1.397 -1.355) 1.947 11.086 ( -0.308 -4.812 -1.907) 5.185 11.278 ( -2.211 3.161 -0.927) 3.967 11.621 ( 0.425 -0.780 2.201) 2.373 11.736 ( -2.322 1.893 3.394) 4.527 11.927 ( 1.401 0.665 -0.496) 1.628 12.023 ( -0.707 0.573 0.568) 1.073 ======================= Grid point 175 (60/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 23.222 10.760 16.188) 30.284 3.641 ( 17.067 9.594 19.931) 27.939 3.980 ( -16.334 6.610 14.697) 22.945 4.120 ( -18.458 11.176 15.749) 26.714 5.238 ( 14.065 -0.043 4.168) 14.669 5.257 ( 7.282 -3.301 -2.904) 8.506 5.528 ( 13.153 0.734 -10.105) 16.603 5.615 ( 2.569 -1.011 -7.167) 7.680 5.677 ( -3.786 -1.438 -8.173) 9.121 5.822 ( -10.190 0.025 -6.674) 12.181 6.192 ( 2.361 -2.951 4.100) 5.576 6.268 ( -5.261 -3.293 -1.435) 6.371 7.015 ( 7.794 -1.324 3.678) 8.719 7.134 ( -3.233 -2.898 5.428) 6.951 7.246 ( -0.986 -1.434 6.197) 6.437 7.437 ( -17.573 3.146 7.160) 19.234 8.031 ( 1.555 -4.377 -4.756) 6.647 8.188 ( 0.517 -0.113 -6.073) 6.096 8.395 ( 6.483 1.979 -7.805) 10.338 8.581 ( -3.047 4.016 -4.836) 6.985 8.787 ( 1.535 -5.390 2.633) 6.192 8.924 ( -0.318 -2.211 0.846) 2.388 9.030 ( 1.573 -1.459 4.940) 5.386 9.211 ( -0.436 4.137 3.915) 5.713 10.155 ( 0.331 1.625 5.405) 5.654 10.183 ( -1.592 1.516 3.367) 4.021 10.549 ( 2.073 1.012 -5.263) 5.746 10.600 ( -2.051 1.446 -5.583) 6.122 10.856 ( 0.635 -0.304 -2.283) 2.389 10.902 ( 0.256 1.396 -1.464) 2.039 11.075 ( -0.463 -4.276 -1.843) 4.679 11.234 ( -1.577 2.009 -1.281) 2.858 11.637 ( 0.807 0.280 3.153) 3.267 11.701 ( -1.050 2.256 3.624) 4.396 11.953 ( 1.037 -0.098 0.373) 1.107 12.006 ( -0.788 0.923 0.868) 1.492 ======================= Grid point 180 (61/125) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.000 27.211 25.932) 37.589 2.646 ( 0.000 30.238 27.957) 41.182 3.658 ( 0.000 37.365 38.433) 53.603 4.623 ( 0.000 -1.048 -3.575) 3.726 4.644 ( 0.000 10.429 -11.195) 15.300 4.827 ( 0.000 -9.349 17.587) 19.917 5.243 ( 0.000 6.600 -0.647) 6.632 5.387 ( 0.000 -2.130 2.375) 3.190 5.631 ( 0.000 5.032 7.102) 8.704 6.144 ( 0.000 -5.100 -6.983) 8.647 6.377 ( 0.000 -7.025 -9.023) 11.435 6.550 ( 0.000 -10.201 -11.063) 15.049 7.013 ( 0.000 -7.347 -4.979) 8.875 7.414 ( 0.000 -5.935 2.261) 6.351 7.707 ( 0.000 -5.895 5.103) 7.797 7.707 ( 0.000 -0.922 -3.207) 3.337 8.004 ( 0.000 4.728 -4.660) 6.639 8.052 ( 0.000 -2.726 -6.017) 6.606 8.205 ( 0.000 -8.235 4.494) 9.381 8.410 ( 0.000 6.164 3.722) 7.200 8.773 ( 0.000 -0.908 1.728) 1.952 8.807 ( 0.000 6.090 7.428) 9.606 8.949 ( 0.000 0.276 0.439) 0.518 9.297 ( 0.000 7.187 -8.027) 10.774 10.239 ( 0.000 1.047 -6.216) 6.304 10.349 ( 0.000 2.057 4.070) 4.560 10.452 ( 0.000 -0.893 -2.885) 3.020 10.573 ( 0.000 -3.166 -0.806) 3.267 10.797 ( 0.000 -4.287 2.269) 4.851 10.924 ( 0.000 1.184 -1.089) 1.609 11.056 ( 0.000 0.045 -1.097) 1.098 11.337 ( 0.000 1.903 4.594) 4.972 11.598 ( 0.000 -0.881 0.269) 0.922 11.885 ( 0.000 1.555 -3.997) 4.289 11.950 ( 0.000 -0.661 -1.957) 2.065 11.993 ( 0.000 -0.274 2.566) 2.580 ======================= Grid point 181 (62/125) ======================= q-point: ( 0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 22.461 22.992 22.393) 39.174 2.739 ( 8.953 28.465 26.695) 40.038 3.815 ( 15.397 34.941 35.646) 52.236 4.611 ( -0.002 0.335 -2.931) 2.950 4.745 ( 7.969 7.094 -8.988) 13.951 4.852 ( 2.526 -7.113 13.280) 15.275 5.207 ( -4.163 8.942 1.927) 10.050 5.409 ( 1.886 -1.060 -0.710) 2.277 5.634 ( 1.258 1.511 8.258) 8.489 6.094 ( -4.904 -5.087 -6.228) 9.418 6.324 ( -4.419 -6.931 -8.852) 12.079 6.526 ( -2.770 -8.600 -10.584) 13.916 6.975 ( -3.289 -6.514 -4.702) 8.681 7.368 ( -4.669 -6.342 4.220) 8.934 7.642 ( -5.915 -1.441 -0.846) 6.146 7.745 ( 3.092 -6.166 1.165) 6.995 7.957 ( -2.082 4.060 -2.842) 5.376 8.081 ( 1.627 -4.234 -4.970) 6.729 8.238 ( 3.914 -6.128 1.610) 7.448 8.464 ( 2.177 6.675 2.988) 7.631 8.685 ( -3.530 2.189 4.886) 6.413 8.863 ( 1.948 0.340 2.222) 2.975 8.984 ( 2.821 2.164 0.353) 3.573 9.292 ( -0.417 6.303 -5.610) 8.448 10.236 ( -0.221 1.028 -5.051) 5.159 10.323 ( -2.214 2.148 4.337) 5.322 10.467 ( 1.260 -0.473 -3.016) 3.303 10.591 ( 1.541 -2.394 -0.935) 2.997 10.804 ( 0.530 -3.915 1.738) 4.316 10.926 ( 0.085 0.884 -0.817) 1.206 11.035 ( -1.411 0.143 -1.600) 2.138 11.359 ( 1.422 2.109 3.549) 4.367 11.593 ( -0.415 -1.439 0.516) 1.584 11.865 ( -2.031 0.735 -1.216) 2.478 11.933 ( -0.512 1.185 -1.773) 2.193 12.016 ( 1.288 -0.768 0.769) 1.686 ======================= Grid point 182 (63/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 23.086 15.906 23.335) 36.476 2.998 ( 19.025 26.797 18.301) 37.616 4.253 ( 25.955 25.109 26.758) 44.946 4.591 ( -2.933 3.155 2.878) 5.181 4.892 ( 4.818 -3.165 1.751) 6.024 4.984 ( 11.255 2.683 -5.094) 12.642 5.073 ( -8.126 11.333 5.578) 15.019 5.441 ( 1.716 1.514 -3.528) 4.205 5.716 ( 6.072 -3.506 6.158) 9.332 5.961 ( -7.305 -5.013 -4.133) 9.776 6.222 ( -5.484 -5.316 -6.980) 10.347 6.437 ( -5.681 -6.493 -9.210) 12.620 6.897 ( -4.027 -5.706 -3.427) 7.779 7.244 ( -6.752 -6.093 6.274) 11.049 7.470 ( -9.751 -2.483 2.074) 10.274 7.831 ( 4.371 -5.533 -3.010) 7.667 7.974 ( 4.022 1.489 -3.217) 5.361 8.103 ( -0.367 -1.802 -2.469) 3.079 8.314 ( -0.299 -4.018 1.052) 4.164 8.418 ( -1.639 3.756 1.034) 4.227 8.714 ( 4.852 2.177 3.538) 6.387 8.888 ( 0.738 -1.934 0.524) 2.135 9.018 ( -0.147 3.742 -2.199) 4.343 9.288 ( 0.225 4.210 -0.606) 4.259 10.229 ( -0.660 1.295 -1.198) 1.883 10.278 ( -1.893 2.463 3.768) 4.883 10.495 ( 1.545 0.361 -3.162) 3.537 10.627 ( 1.872 -0.879 -1.958) 2.848 10.814 ( 0.464 -2.500 0.721) 2.643 10.922 ( -0.452 0.630 -0.855) 1.154 11.018 ( -0.373 -1.053 -2.224) 2.489 11.367 ( -1.066 2.032 1.075) 2.534 11.589 ( 0.440 -1.393 1.833) 2.344 11.817 ( -2.389 1.100 1.879) 3.232 11.935 ( 0.521 1.806 -1.768) 2.580 12.032 ( 0.289 -0.485 0.416) 0.701 ======================= Grid point 183 (64/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 18.506 17.528 20.468) 32.690 3.495 ( 23.911 19.212 14.801) 34.058 4.417 ( -10.770 5.160 7.484) 14.093 4.691 ( -1.816 16.227 11.965) 20.243 4.955 ( 11.768 10.147 10.503) 18.755 5.017 ( 7.042 -3.980 1.271) 8.188 5.268 ( 14.503 2.025 -9.066) 17.223 5.504 ( 4.305 -0.896 -4.798) 6.508 5.735 ( -5.811 -3.730 -6.838) 9.718 5.895 ( 0.318 -2.628 1.441) 3.014 6.126 ( -2.605 -3.169 0.056) 4.103 6.307 ( -7.076 -5.821 -6.093) 11.004 6.851 ( 1.128 -4.564 0.670) 4.749 7.125 ( -4.434 -4.828 7.017) 9.603 7.290 ( -7.400 -3.195 3.023) 8.608 7.886 ( -3.764 -0.048 -2.091) 4.306 7.945 ( -8.868 1.514 1.773) 9.170 8.102 ( 4.701 0.081 -5.776) 7.448 8.298 ( 4.196 -3.208 -1.663) 5.538 8.490 ( 4.943 -3.517 -1.401) 6.226 8.795 ( 1.610 1.809 1.585) 2.894 8.891 ( -1.187 -1.678 -0.095) 2.058 8.996 ( -0.192 2.248 -1.905) 2.953 9.292 ( -0.243 2.803 2.031) 3.470 10.209 ( -1.027 2.216 4.049) 4.729 10.249 ( -1.218 2.235 2.335) 3.454 10.532 ( 2.116 1.230 -3.965) 4.660 10.652 ( 0.188 0.687 -3.716) 3.784 10.830 ( 1.356 -0.572 -0.444) 1.538 10.915 ( -0.141 0.237 -1.116) 1.149 11.010 ( -0.450 -2.339 -1.767) 2.965 11.313 ( -3.844 0.223 -0.820) 3.937 11.618 ( 2.199 0.546 3.036) 3.788 11.776 ( -1.671 1.947 3.093) 4.018 11.949 ( 0.773 1.516 -0.653) 1.823 12.030 ( -0.372 0.080 0.721) 0.815 ======================= Grid point 184 (65/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 17.852 13.298 15.553) 27.156 3.917 ( 12.784 16.165 12.490) 24.099 4.170 ( -7.545 11.865 12.041) 18.512 4.413 ( -17.859 16.549 11.157) 26.782 5.161 ( 7.275 -5.654 -1.423) 9.323 5.229 ( 4.270 -1.339 2.119) 4.951 5.546 ( 11.099 0.772 -9.269) 14.481 5.586 ( 3.650 -1.538 -6.411) 7.536 5.649 ( -0.976 -1.376 -5.985) 6.219 5.816 ( -6.844 -0.971 -4.609) 8.309 6.116 ( 0.264 -4.074 4.167) 5.834 6.170 ( -5.535 -6.224 -0.451) 8.341 6.979 ( 8.267 -2.349 6.672) 10.880 7.078 ( -0.397 -1.456 7.038) 7.198 7.216 ( 3.574 -1.523 3.617) 5.308 7.525 ( -21.138 5.745 7.442) 23.135 7.957 ( 1.321 -2.568 -6.979) 7.553 8.159 ( 1.078 -2.301 -8.680) 9.045 8.437 ( 6.671 -0.408 -1.413) 6.831 8.570 ( 2.401 -5.451 1.441) 6.128 8.759 ( -3.913 2.542 -3.400) 5.774 8.845 ( -1.643 -2.285 -1.650) 3.263 9.038 ( 2.436 0.859 2.491) 3.589 9.275 ( -1.026 2.005 2.481) 3.351 10.198 ( 0.000 2.460 5.021) 5.591 10.225 ( -0.999 2.399 4.013) 4.781 10.578 ( 2.176 1.749 -4.604) 5.384 10.634 ( -1.595 1.739 -5.220) 5.728 10.859 ( 0.909 0.516 -1.932) 2.196 10.920 ( 0.522 0.273 -0.773) 0.972 11.003 ( -0.143 -2.649 -1.452) 3.024 11.239 ( -2.572 -1.438 -0.693) 3.027 11.662 ( 1.609 2.006 3.057) 3.995 11.748 ( -0.967 2.252 3.482) 4.258 11.963 ( 0.458 1.060 0.207) 1.173 12.021 ( -0.349 0.585 0.991) 1.202 ======================= Grid point 189 (66/125) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 0.000 29.416 20.352) 35.770 3.185 ( 0.000 24.130 30.092) 38.572 4.302 ( 0.000 9.130 18.873) 20.966 4.455 ( 0.000 -15.856 8.144) 17.825 4.739 ( 0.000 11.086 12.124) 16.428 4.904 ( 0.000 17.830 -2.163) 17.961 5.315 ( 0.000 3.951 -7.231) 8.240 5.463 ( 0.000 7.155 -0.600) 7.180 5.766 ( 0.000 5.765 3.830) 6.922 6.052 ( 0.000 -3.977 -5.271) 6.603 6.220 ( 0.000 -7.619 -9.291) 12.016 6.339 ( 0.000 -9.498 -10.130) 13.886 6.892 ( 0.000 -4.362 -6.247) 7.619 7.294 ( 0.000 -5.598 2.641) 6.190 7.574 ( 0.000 -9.251 2.776) 9.658 7.689 ( 0.000 -0.754 0.650) 0.996 7.753 ( 0.000 -17.440 6.761) 18.705 8.126 ( 0.000 7.171 -5.273) 8.901 8.243 ( 0.000 4.670 -3.974) 6.132 8.494 ( 0.000 1.274 1.895) 2.284 8.767 ( 0.000 0.794 -0.212) 0.821 8.913 ( 0.000 4.302 9.470) 10.402 8.942 ( 0.000 -1.014 0.059) 1.016 9.409 ( 0.000 4.106 -9.447) 10.301 10.259 ( 0.000 0.874 -6.034) 6.097 10.395 ( 0.000 2.214 4.478) 4.995 10.434 ( 0.000 -0.740 -0.657) 0.989 10.519 ( 0.000 -2.110 -0.240) 2.124 10.738 ( 0.000 -1.721 1.348) 2.187 10.946 ( 0.000 0.908 -2.118) 2.304 11.049 ( 0.000 -0.709 -0.778) 1.052 11.381 ( 0.000 2.281 4.982) 5.480 11.559 ( 0.000 -2.832 -0.495) 2.875 11.918 ( 0.000 1.666 -2.380) 2.906 11.927 ( 0.000 -1.230 0.915) 1.533 11.986 ( 0.000 -0.436 1.795) 1.847 ======================= Grid point 190 (67/125) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 15.563 25.542 18.701) 35.276 3.266 ( 8.025 24.107 27.174) 37.202 4.354 ( 4.526 0.103 16.951) 17.545 4.517 ( 6.303 -8.139 8.884) 13.598 4.808 ( 6.305 12.817 9.596) 17.207 4.944 ( 3.852 14.707 -2.771) 15.454 5.357 ( 1.925 6.052 -5.711) 8.541 5.439 ( -0.490 5.839 -0.380) 5.872 5.732 ( -2.744 5.224 4.674) 7.527 5.998 ( -5.290 -4.319 -4.550) 8.206 6.182 ( -2.546 -5.896 -8.798) 10.892 6.345 ( -0.591 -8.563 -9.726) 12.972 6.866 ( -2.541 -4.108 -5.395) 7.242 7.245 ( -4.566 -5.477 3.762) 8.062 7.582 ( -2.669 -6.698 1.080) 7.291 7.633 ( -1.688 -4.353 2.283) 5.197 7.775 ( 2.062 -16.266 6.494) 17.635 8.087 ( -1.955 5.454 -4.867) 7.567 8.271 ( 2.732 5.285 -5.327) 7.986 8.571 ( 5.471 1.884 1.395) 5.952 8.716 ( -5.029 2.131 1.848) 5.766 8.858 ( -1.587 -0.843 1.693) 2.469 9.034 ( 5.059 2.482 3.986) 6.902 9.389 ( -1.911 3.490 -7.933) 8.875 10.259 ( 0.021 1.100 -4.817) 4.941 10.369 ( -1.993 2.186 4.630) 5.494 10.456 ( 1.957 -0.476 -1.123) 2.306 10.549 ( 2.476 -1.680 -0.218) 3.000 10.743 ( 0.538 -2.040 1.475) 2.575 10.942 ( -0.431 0.604 -1.960) 2.096 11.038 ( -0.839 0.038 -1.398) 1.631 11.402 ( 1.317 2.101 3.473) 4.267 11.550 ( -0.565 -2.794 0.554) 2.904 11.879 ( -2.203 0.521 1.245) 2.583 11.953 ( 1.019 0.829 -2.422) 2.755 11.996 ( 0.941 -0.924 1.990) 2.388 ======================= Grid point 191 (68/125) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( 18.265 18.366 19.324) 32.316 3.517 ( 17.039 23.927 16.965) 33.922 4.455 ( 4.733 -6.739 11.797) 14.387 4.690 ( 9.391 -5.945 8.873) 14.222 4.956 ( 6.984 19.229 7.751) 21.877 5.060 ( 7.883 4.665 -6.324) 11.131 5.293 ( -5.491 10.022 -0.224) 11.429 5.487 ( 0.530 3.580 -3.548) 5.068 5.726 ( 3.561 3.872 4.206) 6.735 5.868 ( -5.639 -3.218 -1.380) 6.638 6.129 ( -2.822 -2.889 -6.022) 7.251 6.295 ( -4.310 -6.981 -8.449) 11.777 6.798 ( -3.539 -3.787 -2.135) 5.606 7.135 ( -5.515 -4.284 4.603) 8.364 7.407 ( -10.675 -3.326 4.955) 12.230 7.698 ( 5.073 -9.528 -1.699) 10.927 7.859 ( 6.470 -12.118 4.301) 14.395 8.081 ( 1.129 2.693 -6.064) 6.731 8.317 ( -0.327 4.627 -2.120) 5.100 8.546 ( -6.614 6.279 0.939) 9.168 8.713 ( 4.476 -2.196 1.340) 5.163 8.845 ( 0.333 -2.243 -1.497) 2.717 9.106 ( 1.205 4.548 0.608) 4.744 9.344 ( -1.965 1.434 -3.426) 4.202 10.260 ( -0.006 1.634 -1.626) 2.305 10.329 ( -1.843 2.354 5.030) 5.852 10.503 ( 2.530 0.318 -2.119) 3.315 10.607 ( 3.040 -1.109 -1.149) 3.434 10.764 ( 1.650 -2.061 1.221) 2.909 10.927 ( -0.956 -0.053 -1.565) 1.834 11.021 ( -0.945 0.888 -2.241) 2.589 11.388 ( -3.215 -0.053 -0.300) 3.229 11.567 ( 2.641 -0.688 3.507) 4.444 11.839 ( -1.645 1.036 2.554) 3.210 11.969 ( 0.689 1.411 -1.814) 2.399 12.016 ( 0.840 -0.880 1.382) 1.841 ======================= Grid point 192 (69/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( 16.357 15.559 18.506) 29.191 3.913 ( 20.267 20.082 8.879) 29.881 4.496 ( -2.144 1.364 8.178) 8.564 4.839 ( 4.481 -6.873 5.475) 9.863 5.030 ( -2.989 10.534 3.546) 11.510 5.154 ( 1.699 7.114 4.391) 8.531 5.319 ( 11.005 3.037 -7.796) 13.825 5.488 ( 1.921 -0.586 -3.671) 4.184 5.675 ( -5.969 -2.681 -4.715) 8.065 5.876 ( -0.885 1.148 -0.993) 1.757 6.096 ( -0.032 0.716 2.121) 2.239 6.177 ( -7.012 -6.112 -5.220) 10.667 6.788 ( 5.000 -0.818 5.490) 7.471 7.056 ( -1.357 -1.331 4.646) 5.020 7.212 ( -7.748 -4.143 4.590) 9.913 7.812 ( 5.724 -6.646 -3.740) 9.535 7.975 ( -0.456 -3.164 1.920) 3.729 8.122 ( 2.232 -1.109 -6.602) 7.057 8.181 ( -6.851 0.841 5.933) 9.102 8.499 ( 0.171 1.077 -2.553) 2.776 8.754 ( 0.297 -2.665 -0.736) 2.780 8.901 ( 4.298 0.047 -1.424) 4.528 9.073 ( -3.512 5.384 -3.697) 7.416 9.318 ( -1.129 -0.310 0.577) 1.305 10.255 ( -0.426 2.242 2.673) 3.515 10.296 ( -1.445 2.116 4.597) 5.263 10.559 ( 3.008 1.377 -3.526) 4.835 10.657 ( 1.495 -0.246 -3.104) 3.454 10.814 ( 3.307 -0.937 0.481) 3.471 10.910 ( -0.614 -0.587 -1.055) 1.354 10.996 ( -1.488 0.639 -1.915) 2.509 11.291 ( -5.719 -2.161 -1.251) 6.241 11.638 ( 3.896 1.267 3.834) 5.611 11.811 ( -1.170 1.523 3.117) 3.661 11.982 ( 0.594 1.565 -0.537) 1.758 12.027 ( 0.284 -0.280 1.094) 1.164 ======================= Grid point 193 (70/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( 14.601 13.199 13.586) 23.916 4.216 ( 0.935 12.089 8.789) 14.976 4.442 ( 6.477 14.165 7.735) 17.390 4.725 ( -14.243 12.046 6.108) 19.628 5.047 ( 5.914 -4.300 0.262) 7.317 5.188 ( -1.537 -2.303 0.089) 2.771 5.540 ( 6.994 -1.461 -6.796) 9.861 5.568 ( 5.477 -0.517 -6.481) 8.501 5.611 ( 0.895 -2.562 -3.282) 4.258 5.774 ( -6.697 -2.834 -3.631) 8.128 6.037 ( -4.783 -5.996 0.168) 7.672 6.048 ( -4.384 -2.581 2.314) 5.589 6.930 ( 3.585 -1.813 6.308) 7.479 7.064 ( -2.047 -1.899 6.532) 7.104 7.234 ( 16.654 5.632 6.471) 18.734 7.671 ( -21.174 8.340 9.000) 24.472 7.929 ( 3.200 -0.568 -8.044) 8.676 8.103 ( -0.504 -3.140 -9.155) 9.691 8.297 ( 8.724 -10.785 3.750) 14.370 8.450 ( -5.600 -8.210 3.985) 10.707 8.797 ( 4.249 3.542 -5.813) 8.024 8.910 ( -4.278 5.310 -4.070) 7.941 9.052 ( 1.973 0.926 -0.638) 2.271 9.286 ( -1.630 -1.054 0.420) 1.986 10.249 ( -0.069 2.401 4.796) 5.364 10.271 ( -0.827 2.002 4.796) 5.262 10.616 ( 2.282 1.953 -4.406) 5.332 10.664 ( -0.574 1.084 -4.902) 5.054 10.872 ( 1.233 0.633 -1.093) 1.765 10.913 ( 1.105 -0.778 -0.177) 1.363 10.972 ( -0.385 -0.342 -1.109) 1.223 11.184 ( -3.870 -3.719 -0.758) 5.420 11.708 ( 2.525 2.331 3.336) 4.789 11.787 ( -1.174 1.513 3.417) 3.917 11.991 ( 0.263 1.536 0.366) 1.601 12.029 ( -0.009 0.215 1.062) 1.083 ======================= Grid point 198 (71/125) ======================= q-point: ( 0.00 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 0.000 23.761 15.255) 28.236 3.634 ( 0.000 19.323 27.175) 33.344 4.056 ( 0.000 -20.098 15.158) 25.174 4.110 ( 0.000 -15.595 23.543) 28.240 4.966 ( 0.000 5.626 -8.073) 9.840 5.411 ( 0.000 3.559 -6.593) 7.492 5.420 ( 0.000 21.628 4.209) 22.034 5.609 ( 0.000 7.075 -2.198) 7.408 5.783 ( 0.000 -4.241 -3.306) 5.377 5.974 ( 0.000 -3.797 -3.873) 5.423 6.118 ( 0.000 -1.501 -7.944) 8.084 6.221 ( 0.000 -1.842 -7.889) 8.102 6.847 ( 0.000 0.140 -5.567) 5.569 7.206 ( 0.000 -2.558 3.389) 4.246 7.231 ( 0.000 -16.819 7.085) 18.250 7.591 ( 0.000 -2.172 5.769) 6.164 7.679 ( 0.000 -0.269 3.511) 3.521 8.277 ( 0.000 6.958 -4.027) 8.040 8.312 ( 0.000 1.814 -3.771) 4.184 8.453 ( 0.000 -4.378 -2.775) 5.183 8.805 ( 0.000 2.163 -1.086) 2.420 8.911 ( 0.000 -1.655 1.549) 2.267 8.975 ( 0.000 1.638 9.994) 10.127 9.465 ( 0.000 1.370 -10.025) 10.118 10.272 ( 0.000 0.363 -5.841) 5.853 10.427 ( 0.000 0.020 0.393) 0.393 10.429 ( 0.000 0.945 5.024) 5.112 10.487 ( 0.000 -0.933 0.356) 0.999 10.720 ( 0.000 -0.276 0.589) 0.651 10.960 ( 0.000 0.398 -2.623) 2.653 11.034 ( 0.000 -0.531 -0.695) 0.874 11.425 ( 0.000 1.920 5.600) 5.920 11.497 ( 0.000 -2.683 -1.385) 3.020 11.910 ( 0.000 -0.382 2.518) 2.547 11.949 ( 0.000 1.269 0.518) 1.371 11.974 ( 0.000 -0.756 -0.530) 0.923 ======================= Grid point 199 (72/125) ======================= q-point: ( 0.11 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( 8.892 20.102 14.893) 26.551 3.716 ( 8.153 19.661 24.030) 32.101 4.078 ( 4.132 -17.502 17.670) 25.211 4.241 ( 10.223 -15.220 18.094) 25.759 5.010 ( 4.240 4.799 -8.314) 10.494 5.316 ( -3.893 9.174 -2.053) 10.175 5.499 ( -0.875 6.626 -3.581) 7.582 5.630 ( 3.929 12.921 -0.063) 13.505 5.760 ( -0.891 -2.246 -1.562) 2.877 5.921 ( -4.741 -3.587 -3.107) 6.708 6.126 ( 0.458 0.099 -6.130) 6.148 6.224 ( -0.217 -2.551 -8.537) 8.913 6.823 ( -2.404 0.191 -3.628) 4.356 7.163 ( -3.641 -2.187 3.670) 5.613 7.265 ( 3.138 -16.362 7.073) 18.100 7.590 ( -8.224 -0.749 5.573) 9.963 7.619 ( 2.949 -2.252 3.015) 4.782 8.177 ( -4.033 2.679 -4.629) 6.698 8.393 ( 3.286 6.367 -4.614) 8.522 8.526 ( 5.837 -4.994 -2.466) 8.068 8.779 ( -3.337 3.033 0.341) 4.522 8.832 ( -4.050 -1.672 2.125) 4.869 9.072 ( 6.147 1.029 6.789) 9.216 9.436 ( -2.861 1.139 -9.182) 9.684 10.276 ( 0.420 0.520 -4.759) 4.806 10.402 ( -1.802 0.950 4.893) 5.300 10.450 ( 2.138 -0.107 -0.036) 2.141 10.524 ( 2.799 -0.690 0.642) 2.954 10.719 ( 0.107 -0.480 1.076) 1.183 10.950 ( -0.921 0.199 -2.503) 2.675 11.038 ( 0.283 -0.024 -1.457) 1.484 11.441 ( -0.396 1.722 1.119) 2.091 11.492 ( 1.086 -2.508 2.807) 3.917 11.885 ( -1.691 0.165 2.869) 3.334 11.968 ( 1.198 0.707 -1.471) 2.025 11.981 ( 0.788 -0.618 1.265) 1.614 ======================= Grid point 200 (73/125) ======================= q-point: ( 0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 12.859 13.821 14.871) 24.031 3.951 ( 14.298 17.961 15.870) 27.909 4.226 ( 10.052 -12.708 15.339) 22.312 4.473 ( 11.815 -11.822 13.039) 21.199 5.130 ( 7.163 3.129 -8.649) 11.657 5.240 ( -4.427 4.979 -1.341) 6.796 5.430 ( -3.299 2.852 -3.896) 5.848 5.598 ( -6.570 4.274 -2.294) 8.167 5.764 ( -5.659 0.036 -3.788) 6.810 5.902 ( 5.736 3.890 -0.042) 6.931 6.130 ( 0.586 2.495 -0.621) 2.637 6.194 ( -3.021 -2.137 -8.233) 9.026 6.767 ( -1.791 1.088 2.814) 3.509 7.087 ( -2.996 -0.133 2.861) 4.144 7.322 ( -4.251 -8.091 6.216) 11.053 7.422 ( -0.054 -8.850 9.204) 12.769 7.727 ( 7.476 -2.268 -2.693) 8.264 8.133 ( -0.794 1.616 -7.115) 7.339 8.427 ( -1.196 4.733 0.258) 4.889 8.622 ( -2.050 -1.123 0.888) 2.501 8.672 ( -1.133 0.994 0.500) 1.588 8.798 ( 0.855 -2.072 -4.726) 5.231 9.181 ( 3.922 2.309 4.372) 6.311 9.355 ( -4.762 -0.079 -6.744) 8.256 10.287 ( 0.520 0.833 -1.795) 2.046 10.364 ( -1.954 0.986 5.758) 6.160 10.508 ( 3.400 0.154 -1.546) 3.738 10.587 ( 3.262 -0.640 -0.388) 3.347 10.737 ( 1.937 -0.614 1.371) 2.451 10.925 ( -1.489 -0.121 -2.060) 2.545 11.040 ( -0.297 0.690 -2.369) 2.485 11.373 ( -5.323 -0.880 -1.758) 5.675 11.562 ( 4.652 0.044 5.109) 6.909 11.855 ( -1.255 0.445 3.129) 3.401 11.989 ( 0.965 0.581 -1.955) 2.256 12.002 ( 1.100 -0.396 2.064) 2.372 ======================= Grid point 201 (74/125) ======================= q-point: ( 0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( 13.891 10.180 13.645) 21.972 4.243 ( 12.809 9.582 9.191) 18.449 4.460 ( 12.290 -1.835 10.538) 16.293 4.688 ( 8.717 -7.167 8.231) 13.968 5.112 ( -5.920 0.601 -0.272) 5.956 5.276 ( 2.303 2.413 -5.398) 6.346 5.403 ( 0.943 5.017 -3.883) 6.414 5.474 ( -1.576 -1.089 -2.465) 3.122 5.632 ( -6.175 -1.189 -3.973) 7.438 5.889 ( -6.495 -0.668 -5.350) 8.441 6.093 ( -6.344 -0.524 -5.031) 8.114 6.135 ( -3.717 0.480 1.467) 4.025 6.830 ( 7.111 3.244 9.008) 11.926 7.094 ( 4.689 4.802 4.628) 8.152 7.143 ( -6.342 -1.981 6.266) 9.133 7.582 ( 10.919 -12.721 8.576) 18.830 7.894 ( 7.965 -1.939 -7.215) 10.921 8.123 ( -0.715 0.674 -9.828) 9.877 8.292 ( -11.966 6.736 6.520) 15.201 8.450 ( -10.024 -5.430 6.264) 13.008 8.759 ( 5.673 2.285 -5.820) 8.443 8.873 ( 5.670 -2.071 -4.858) 7.749 9.188 ( -3.712 5.429 -2.853) 7.169 9.280 ( -1.926 -3.317 -0.507) 3.869 10.292 ( -0.107 1.127 1.918) 2.227 10.326 ( -1.747 0.753 6.013) 6.306 10.583 ( 3.896 0.845 -3.647) 5.403 10.646 ( 2.310 -0.552 -2.453) 3.414 10.800 ( 4.180 -0.342 1.160) 4.351 10.898 ( -0.957 -0.425 -1.146) 1.552 11.019 ( -1.719 1.102 -2.241) 3.031 11.244 ( -7.026 -1.776 -1.490) 7.398 11.660 ( 4.749 0.645 4.367) 6.483 11.833 ( -0.990 0.586 3.206) 3.406 12.007 ( 0.745 0.856 -0.408) 1.206 12.021 ( 0.681 -0.343 1.355) 1.555 ======================= Grid point 202 (75/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.211 ( 11.863 7.768 11.095) 18.005 4.377 ( -1.429 3.487 8.813) 9.585 4.686 ( 8.868 8.168 4.613) 12.909 4.798 ( 2.030 -2.161 4.667) 5.529 5.046 ( -1.193 0.863 -0.147) 1.480 5.171 ( -5.556 1.610 0.033) 5.785 5.503 ( 2.932 -1.509 -4.068) 5.236 5.521 ( 1.717 -3.277 -2.065) 4.237 5.581 ( 4.972 -0.096 -7.009) 8.594 5.724 ( -8.181 -1.783 -4.741) 9.622 5.964 ( -4.585 -0.715 0.077) 4.641 6.001 ( -6.716 -2.156 1.050) 7.131 6.919 ( 2.164 0.495 4.122) 4.682 7.004 ( -4.026 -2.715 4.215) 6.430 7.429 ( 21.467 10.878 10.892) 26.415 7.771 ( -0.038 -3.186 10.075) 10.567 7.950 ( -4.237 5.309 -1.068) 6.876 8.043 ( -3.553 -2.483 -6.186) 7.553 8.132 ( 1.027 -2.469 -4.042) 4.846 8.245 ( -9.118 -10.608 4.116) 14.581 8.881 ( 5.819 3.492 -4.996) 8.427 8.965 ( 1.000 -0.202 -2.349) 2.561 9.111 ( -1.468 4.769 -4.396) 6.650 9.233 ( -2.784 -3.827 -1.223) 4.888 10.288 ( -0.125 1.205 4.551) 4.710 10.299 ( -0.830 0.603 5.442) 5.538 10.651 ( 2.299 1.225 -4.902) 5.551 10.675 ( 0.463 0.037 -4.507) 4.531 10.881 ( 2.146 0.411 -0.013) 2.185 10.896 ( 1.187 -0.804 0.086) 1.436 10.989 ( -0.140 1.544 -1.172) 1.944 11.107 ( -5.801 -3.202 -0.924) 6.690 11.746 ( 3.481 1.111 3.687) 5.190 11.807 ( -1.801 0.434 3.353) 3.831 12.018 ( 0.266 0.974 0.641) 1.195 12.030 ( 0.200 -0.221 1.021) 1.064 ======================= Grid point 243 (76/125) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 0.000 0.000 34.358) 34.358 2.296 ( 0.000 0.000 36.415) 36.415 3.852 ( 0.000 0.000 3.135) 3.135 4.177 ( 0.000 0.000 -22.594) 22.594 4.343 ( 0.000 0.000 31.897) 31.897 5.281 ( 0.000 0.000 13.390) 13.390 5.314 ( 0.000 0.000 11.485) 11.485 5.371 ( 0.000 0.000 2.592) 2.592 5.938 ( 0.000 0.000 10.698) 10.698 6.109 ( 0.000 0.000 -11.322) 11.322 6.341 ( 0.000 0.000 -6.003) 6.003 6.460 ( 0.000 0.000 -19.026) 19.026 7.196 ( 0.000 0.000 -1.186) 1.186 7.533 ( 0.000 0.000 -6.518) 6.518 7.642 ( 0.000 0.000 -3.698) 3.698 7.651 ( 0.000 0.000 -5.586) 5.586 7.859 ( 0.000 0.000 0.518) 0.518 8.137 ( 0.000 0.000 -4.165) 4.165 8.305 ( 0.000 0.000 4.298) 4.298 8.484 ( 0.000 0.000 -0.351) 0.351 8.831 ( 0.000 0.000 7.637) 7.637 8.852 ( 0.000 0.000 2.671) 2.671 8.933 ( 0.000 0.000 0.325) 0.325 9.006 ( 0.000 0.000 2.819) 2.819 10.107 ( 0.000 0.000 -3.861) 3.861 10.306 ( 0.000 0.000 -8.839) 8.839 10.399 ( 0.000 0.000 4.990) 4.990 10.628 ( 0.000 0.000 -2.192) 2.192 10.968 ( 0.000 0.000 5.758) 5.758 10.983 ( 0.000 0.000 -3.305) 3.305 11.001 ( 0.000 0.000 -1.443) 1.443 11.316 ( 0.000 0.000 -2.045) 2.045 11.545 ( 0.000 0.000 0.006) 0.006 11.750 ( 0.000 0.000 -4.604) 4.604 11.924 ( 0.000 0.000 2.422) 2.422 12.036 ( 0.000 0.000 0.858) 0.858 ======================= Grid point 244 (77/125) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 13.083 0.000 34.388) 36.793 2.549 ( 26.227 0.000 29.420) 39.413 3.983 ( 12.531 0.000 6.046) 13.913 4.236 ( 5.631 0.000 -21.208) 21.942 4.436 ( 9.121 0.000 26.952) 28.454 5.210 ( -6.852 0.000 13.676) 15.297 5.211 ( -6.886 0.000 8.880) 11.237 5.434 ( 3.165 0.000 4.399) 5.419 5.946 ( 0.401 0.000 7.714) 7.724 6.046 ( -6.015 0.000 -11.207) 12.719 6.320 ( -1.903 0.000 -4.732) 5.100 6.416 ( -4.142 0.000 -18.012) 18.482 7.140 ( -4.309 0.000 0.010) 4.309 7.521 ( -6.170 0.000 -2.012) 6.489 7.593 ( 4.691 0.000 -6.909) 8.351 7.751 ( 4.487 0.000 -5.208) 6.874 7.823 ( -3.151 0.000 0.503) 3.191 8.143 ( 0.489 0.000 -4.207) 4.235 8.279 ( -2.618 0.000 4.767) 5.439 8.520 ( 2.694 0.000 -0.740) 2.794 8.826 ( -1.544 0.000 2.644) 3.062 8.831 ( 0.737 0.000 7.621) 7.656 8.953 ( 1.411 0.000 -0.561) 1.519 9.061 ( 4.389 0.000 1.919) 4.790 10.119 ( 1.089 0.000 -3.396) 3.566 10.325 ( 1.668 0.000 -8.419) 8.583 10.375 ( -2.133 0.000 5.223) 5.642 10.621 ( -0.887 0.000 -2.460) 2.615 10.913 ( -3.725 0.000 -1.390) 3.976 10.954 ( -1.332 0.000 5.564) 5.722 11.049 ( 2.251 0.000 -2.820) 3.608 11.297 ( -1.819 0.000 -2.172) 2.834 11.580 ( 2.759 0.000 -0.279) 2.773 11.775 ( 2.340 0.000 -4.085) 4.707 11.903 ( -1.925 0.000 3.077) 3.630 12.034 ( -0.215 0.000 0.388) 0.444 ======================= Grid point 245 (78/125) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 21.231 0.000 30.002) 36.754 3.151 ( 29.681 0.000 24.363) 38.400 4.334 ( 21.102 0.000 7.521) 22.402 4.380 ( 7.536 0.000 -15.710) 17.423 4.702 ( 16.389 0.000 16.514) 23.266 5.017 ( -11.364 0.000 14.908) 18.745 5.070 ( -6.362 0.000 7.007) 9.464 5.483 ( 1.688 0.000 2.332) 2.879 5.881 ( -9.837 0.000 -11.120) 14.847 5.933 ( -2.171 0.000 0.423) 2.211 6.275 ( -2.244 0.000 -2.028) 3.024 6.311 ( -5.607 0.000 -15.589) 16.566 7.059 ( -3.179 0.000 2.093) 3.806 7.411 ( -4.380 0.000 2.707) 5.149 7.653 ( -1.438 0.000 4.425) 4.653 7.791 ( 2.977 0.000 -10.280) 10.703 7.832 ( 3.600 0.000 -4.937) 6.110 8.148 ( -0.221 0.000 -4.737) 4.742 8.179 ( -7.981 0.000 6.386) 10.221 8.557 ( 0.340 0.000 -1.987) 2.016 8.818 ( 0.945 0.000 1.843) 2.071 8.873 ( 3.264 0.000 7.064) 7.782 8.992 ( 2.892 0.000 -1.394) 3.210 9.148 ( 3.769 0.000 1.105) 3.928 10.150 ( 1.873 0.000 -2.154) 2.854 10.324 ( -2.625 0.000 5.630) 6.212 10.364 ( 1.946 0.000 -7.299) 7.554 10.587 ( -2.440 0.000 -3.220) 4.040 10.859 ( -1.492 0.000 -0.408) 1.547 10.919 ( -1.994 0.000 4.782) 5.181 11.086 ( 1.310 0.000 -4.072) 4.278 11.244 ( -3.294 0.000 -2.514) 4.144 11.633 ( 2.360 0.000 0.954) 2.545 11.835 ( 3.281 0.000 -2.988) 4.438 11.855 ( -2.559 0.000 4.269) 4.978 12.027 ( -0.461 0.000 -0.361) 0.586 ======================= Grid point 246 (79/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 24.191 0.000 25.510) 35.156 3.669 ( 21.233 0.000 24.510) 32.428 4.469 ( -0.782 0.000 0.168) 0.800 4.594 ( -9.299 0.000 12.525) 15.599 4.923 ( 16.374 0.000 -3.281) 16.699 5.010 ( 2.211 0.000 -2.594) 3.408 5.087 ( 18.080 0.000 15.629) 23.899 5.502 ( 0.153 0.000 -2.042) 2.048 5.665 ( -11.090 0.000 -11.570) 16.027 5.848 ( -6.099 0.000 -4.240) 7.428 6.213 ( -3.605 0.000 -12.852) 13.348 6.234 ( -1.882 0.000 -2.547) 3.167 7.038 ( 2.047 0.000 6.135) 6.467 7.352 ( -1.523 0.000 8.198) 8.338 7.567 ( -5.170 0.000 10.736) 11.916 7.867 ( -5.264 0.000 1.340) 5.432 7.927 ( 8.802 0.000 -14.641) 17.083 7.981 ( -6.112 0.000 2.486) 6.598 8.130 ( -1.497 0.000 -5.613) 5.809 8.511 ( -5.237 0.000 -6.285) 8.182 8.865 ( 3.675 0.000 3.029) 4.762 8.946 ( 3.309 0.000 6.017) 6.867 9.071 ( 4.428 0.000 -0.835) 4.506 9.201 ( 1.273 0.000 1.299) 1.819 10.189 ( 1.929 0.000 -0.312) 1.954 10.276 ( -2.038 0.000 5.632) 5.990 10.397 ( 1.401 0.000 -5.985) 6.147 10.531 ( -2.950 0.000 -4.300) 5.215 10.846 ( -0.022 0.000 -0.144) 0.146 10.881 ( -1.579 0.000 3.237) 3.601 11.098 ( -0.058 0.000 -4.840) 4.841 11.173 ( -3.477 0.000 -3.007) 4.597 11.678 ( 2.187 0.000 3.129) 3.817 11.806 ( -2.225 0.000 5.076) 5.542 11.899 ( 2.986 0.000 -1.925) 3.552 12.014 ( -0.844 0.000 -0.807) 1.168 ======================= Grid point 247 (80/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 23.058 0.000 21.724) 31.680 4.006 ( 9.262 0.000 22.433) 24.270 4.270 ( -14.884 0.000 18.035) 23.384 4.343 ( -10.015 0.000 15.434) 18.399 5.152 ( 9.902 0.000 -9.618) 13.804 5.266 ( 9.597 0.000 -12.124) 15.463 5.365 ( 3.482 0.000 -0.205) 3.488 5.474 ( -3.702 0.000 -9.003) 9.734 5.508 ( 3.347 0.000 -4.330) 5.473 5.692 ( -9.242 0.000 -1.940) 9.444 6.176 ( -0.068 0.000 -9.885) 9.885 6.197 ( -1.715 0.000 -6.406) 6.632 7.173 ( 11.051 0.000 11.721) 16.109 7.336 ( -1.470 0.000 12.787) 12.872 7.479 ( -2.675 0.000 11.512) 11.819 7.583 ( -15.009 0.000 10.234) 18.166 8.007 ( 3.279 0.000 -5.274) 6.210 8.062 ( -0.817 0.000 -6.532) 6.583 8.151 ( 8.718 0.000 -12.782) 15.472 8.354 ( -9.649 0.000 -10.641) 14.364 8.946 ( 3.604 0.000 4.132) 5.483 8.985 ( 0.130 0.000 4.913) 4.915 9.152 ( 3.293 0.000 0.671) 3.360 9.199 ( -1.332 0.000 1.551) 2.045 10.222 ( 1.266 0.000 2.202) 2.540 10.244 ( -1.123 0.000 4.563) 4.699 10.426 ( 1.712 0.000 -5.325) 5.593 10.472 ( -2.720 0.000 -5.086) 5.768 10.851 ( 0.349 0.000 0.188) 0.396 10.859 ( -0.623 0.000 1.385) 1.518 11.095 ( 0.103 0.000 -4.437) 4.438 11.115 ( -2.020 0.000 -3.653) 4.174 11.723 ( 2.148 0.000 4.591) 5.069 11.764 ( -2.011 0.000 5.187) 5.563 11.953 ( 2.290 0.000 -1.274) 2.621 11.991 ( -1.495 0.000 -1.004) 1.801 ======================= Grid point 252 (81/125) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 0.000 13.236 32.354) 34.957 2.569 ( 0.000 24.439 30.714) 39.251 3.946 ( 0.000 9.078 0.480) 9.090 4.256 ( 0.000 7.462 -20.497) 21.813 4.422 ( 0.000 7.824 32.310) 33.244 5.251 ( 0.000 -0.976 6.957) 7.025 5.275 ( 0.000 -3.779 12.072) 12.650 5.464 ( 0.000 6.294 7.352) 9.678 5.863 ( 0.000 -6.542 10.356) 12.249 6.076 ( 0.000 -2.848 -9.062) 9.499 6.307 ( 0.000 -3.699 -7.420) 8.291 6.417 ( 0.000 -4.273 -17.741) 18.248 7.104 ( 0.000 -7.666 -1.597) 7.831 7.508 ( 0.000 -2.175 -5.911) 6.299 7.632 ( 0.000 -1.225 -2.256) 2.567 7.735 ( 0.000 6.433 -4.513) 7.859 7.854 ( 0.000 0.514 -2.414) 2.468 8.000 ( 0.000 -9.397 -2.915) 9.839 8.370 ( 0.000 5.433 4.538) 7.078 8.501 ( 0.000 -4.341 1.779) 4.691 8.786 ( 0.000 2.945 4.959) 5.767 8.845 ( 0.000 -0.762 2.228) 2.355 8.992 ( 0.000 -1.110 2.661) 2.883 9.056 ( 0.000 7.048 -1.003) 7.119 10.114 ( 0.000 0.677 -3.787) 3.847 10.318 ( 0.000 1.067 -8.338) 8.406 10.408 ( 0.000 0.949 4.826) 4.918 10.607 ( 0.000 -1.934 -1.626) 2.527 10.932 ( 0.000 -5.332 -0.402) 5.347 10.938 ( 0.000 -1.126 0.869) 1.423 11.023 ( 0.000 1.996 1.325) 2.396 11.349 ( 0.000 2.484 -0.804) 2.610 11.562 ( 0.000 1.210 -0.969) 1.550 11.762 ( 0.000 1.200 -4.571) 4.726 11.935 ( 0.000 0.953 2.049) 2.260 12.037 ( 0.000 0.035 1.019) 1.020 ======================= Grid point 253 (82/125) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 16.807 13.580 29.147) 36.283 2.731 ( 17.866 19.366 28.683) 38.948 4.072 ( 12.025 8.473 1.371) 14.774 4.308 ( 4.977 6.838 -16.640) 18.666 4.515 ( 9.047 7.798 26.694) 29.244 5.152 ( -6.877 -1.633 8.505) 11.059 5.278 ( -2.945 1.051 11.702) 12.113 5.453 ( -0.330 2.655 5.555) 6.166 5.868 ( -0.154 -6.327 5.806) 8.589 6.034 ( -3.850 -1.587 -7.346) 8.444 6.275 ( -2.658 -4.486 -6.481) 8.319 6.384 ( -3.270 -3.284 -16.304) 16.950 7.060 ( -3.477 -6.761 -0.373) 7.612 7.549 ( -2.246 -2.301 1.027) 3.376 7.559 ( -0.121 0.580 -6.388) 6.415 7.757 ( 0.343 0.156 -5.528) 5.541 7.830 ( -0.932 1.613 -1.963) 2.707 8.026 ( 1.939 -7.684 -4.121) 8.933 8.352 ( -1.899 5.249 4.779) 7.348 8.547 ( 3.638 -2.409 1.351) 4.567 8.742 ( -2.540 -0.574 5.119) 5.743 8.873 ( 1.570 1.659 1.670) 2.830 8.969 ( -0.772 -0.052 1.320) 1.530 9.118 ( 4.275 4.868 -0.358) 6.488 10.126 ( 1.139 0.724 -3.270) 3.537 10.335 ( 1.492 0.966 -7.737) 7.938 10.387 ( -1.823 1.170 4.863) 5.323 10.606 ( -0.359 -1.403 -1.925) 2.409 10.883 ( -2.427 -2.147 -0.288) 3.253 10.970 ( 0.222 -0.990 3.203) 3.360 11.010 ( -0.228 -0.830 -0.982) 1.306 11.338 ( -1.319 2.919 -1.742) 3.646 11.586 ( 2.015 0.397 -0.329) 2.080 11.785 ( 2.074 0.989 -3.900) 4.527 11.916 ( -1.725 1.117 2.614) 3.325 12.036 ( -0.077 0.167 0.453) 0.489 ======================= Grid point 254 (83/125) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 19.493 16.039 26.205) 36.386 3.232 ( 26.842 8.020 24.175) 37.003 4.386 ( 14.121 4.376 -8.391) 16.999 4.458 ( 12.690 7.988 -1.622) 15.083 4.770 ( 15.215 6.576 18.103) 24.545 4.992 ( -8.438 -0.094 8.251) 11.802 5.158 ( -7.464 5.596 11.495) 14.804 5.462 ( 0.923 -1.714 2.843) 3.446 5.808 ( -6.541 -5.114 -6.053) 10.275 5.948 ( -4.154 -0.236 -3.233) 5.269 6.222 ( -2.140 -4.427 -4.512) 6.674 6.299 ( -4.593 -1.856 -12.402) 13.354 6.997 ( -2.066 -5.322 2.535) 6.246 7.431 ( -5.577 0.761 3.600) 6.682 7.581 ( -2.498 -5.415 4.451) 7.442 7.783 ( 4.579 -0.550 -12.054) 12.906 7.844 ( 1.679 0.443 -3.817) 4.193 8.056 ( 0.632 -5.779 -5.168) 7.778 8.265 ( -7.478 6.416 5.503) 11.285 8.604 ( 1.355 0.616 1.174) 1.895 8.730 ( 1.519 -3.650 2.636) 4.752 8.904 ( 1.916 1.219 1.451) 2.695 8.977 ( 1.604 -1.185 1.092) 2.273 9.198 ( 3.375 3.840 -0.421) 5.129 10.159 ( 1.989 0.898 -1.923) 2.909 10.337 ( -2.060 1.266 4.492) 5.102 10.377 ( 1.626 1.279 -5.873) 6.227 10.586 ( -1.594 -0.075 -2.933) 3.339 10.846 ( -1.140 -0.862 -0.138) 1.436 10.941 ( -2.035 1.466 4.488) 5.141 11.027 ( 0.904 -4.053 -3.177) 5.228 11.294 ( -2.905 3.267 -3.092) 5.355 11.631 ( 2.273 -0.145 1.546) 2.753 11.833 ( 1.918 0.247 -1.089) 2.220 11.879 ( -1.267 1.754 2.135) 3.040 12.032 ( -0.329 0.404 -0.350) 0.628 ======================= Grid point 255 (84/125) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 22.037 12.634 22.954) 34.236 3.720 ( 20.895 4.984 23.361) 31.736 4.482 ( -2.722 1.844 2.241) 3.979 4.682 ( -7.094 7.769 8.742) 13.679 4.939 ( 13.843 1.481 -7.181) 15.665 5.047 ( 4.648 3.333 1.490) 5.910 5.141 ( 13.885 4.849 15.121) 21.094 5.479 ( 0.445 -2.090 -1.814) 2.803 5.635 ( -9.249 -2.438 -9.182) 13.259 5.845 ( -6.366 -0.602 -5.207) 8.246 6.183 ( -2.055 -2.582 -9.024) 9.608 6.221 ( -2.759 -1.658 -5.432) 6.314 7.010 ( 4.344 -2.414 7.879) 9.315 7.342 ( -3.039 -1.220 7.753) 8.416 7.495 ( -4.797 -5.782 9.362) 12.004 7.859 ( -0.325 -1.878 -4.320) 4.721 7.940 ( 7.602 0.597 -11.091) 13.459 7.998 ( -8.706 0.858 4.137) 9.677 8.106 ( -2.855 0.855 -6.022) 6.719 8.576 ( -4.843 4.805 -4.711) 8.290 8.787 ( 4.193 -5.944 3.750) 8.184 8.959 ( 2.657 0.235 3.807) 4.648 9.027 ( 3.332 -3.266 0.624) 4.707 9.245 ( 1.178 3.085 -0.323) 3.319 10.201 ( 2.068 1.159 0.013) 2.371 10.295 ( -1.870 1.861 5.397) 6.007 10.409 ( 1.483 1.174 -5.566) 5.878 10.545 ( -2.390 1.293 -4.248) 5.043 10.833 ( -0.330 -0.550 0.184) 0.668 10.907 ( -1.091 1.619 2.930) 3.521 11.032 ( -0.344 -4.013 -3.485) 5.326 11.229 ( -3.215 2.981 -3.940) 5.895 11.678 ( 2.319 0.143 3.568) 4.257 11.822 ( -1.712 1.316 4.685) 5.159 11.904 ( 2.434 0.629 -1.791) 3.086 12.022 ( -0.670 0.649 -0.746) 1.194 ======================= Grid point 256 (85/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( 20.666 8.392 20.040) 29.985 4.062 ( 9.527 5.382 20.866) 23.561 4.302 ( -9.778 3.820 15.940) 19.086 4.439 ( -13.190 8.290 14.538) 21.308 5.140 ( 8.680 -0.997 -7.829) 11.731 5.268 ( 5.549 -0.020 -10.361) 11.753 5.363 ( 5.170 -0.213 -2.734) 5.852 5.456 ( -1.111 -0.905 -7.302) 7.441 5.524 ( 0.354 0.723 -3.824) 3.908 5.701 ( -6.853 0.942 -2.405) 7.324 6.146 ( -1.206 -2.827 -8.966) 9.478 6.184 ( -0.929 -1.588 -6.266) 6.530 7.189 ( 12.030 1.742 13.172) 17.924 7.307 ( -0.908 -2.768 11.763) 12.118 7.425 ( -0.569 -4.328 10.269) 11.158 7.623 ( -17.368 3.374 10.842) 20.751 7.931 ( 0.806 -5.494 -5.369) 7.724 8.041 ( 0.119 -3.282 -8.260) 8.888 8.191 ( 9.741 4.403 -12.230) 16.243 8.423 ( -9.321 5.583 -10.134) 14.857 8.880 ( 4.049 -5.333 5.792) 8.853 8.973 ( -1.055 -2.621 3.885) 4.804 9.101 ( 2.813 -2.353 1.569) 3.988 9.249 ( -0.487 2.428 -0.487) 2.524 10.237 ( 1.475 1.468 2.466) 3.226 10.264 ( -1.279 1.864 4.459) 4.999 10.443 ( 1.992 1.539 -5.090) 5.679 10.492 ( -2.735 1.808 -4.928) 5.919 10.830 ( -0.029 -0.510 0.002) 0.510 10.897 ( -0.091 1.983 1.557) 2.523 11.021 ( -0.438 -3.628 -3.418) 5.004 11.178 ( -1.510 2.442 -4.091) 4.997 11.720 ( 1.573 0.294 4.761) 5.023 11.790 ( -1.227 1.977 4.895) 5.420 11.947 ( 1.461 -0.165 -1.200) 1.898 12.006 ( -0.749 1.099 -0.908) 1.610 ======================= Grid point 261 (86/125) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 0.000 21.682 27.972) 35.392 3.151 ( 0.000 30.203 23.385) 38.197 4.196 ( 0.000 14.594 -7.103) 16.231 4.445 ( 0.000 9.990 -14.016) 17.211 4.659 ( 0.000 15.056 31.175) 34.620 5.170 ( 0.000 -5.923 14.395) 15.565 5.246 ( 0.000 -0.502 2.170) 2.227 5.519 ( 0.000 -2.967 9.063) 9.537 5.777 ( 0.000 1.247 6.961) 7.072 6.013 ( 0.000 -3.000 -5.662) 6.408 6.188 ( 0.000 -7.736 -9.198) 12.018 6.287 ( 0.000 -8.343 -14.919) 17.094 6.939 ( 0.000 -7.723 -1.365) 7.843 7.443 ( 0.000 -4.406 -1.263) 4.583 7.617 ( 0.000 0.726 -5.125) 5.176 7.752 ( 0.000 -6.659 -1.015) 6.736 7.899 ( 0.000 3.717 -4.196) 5.606 7.941 ( 0.000 4.583 -4.098) 6.148 8.305 ( 0.000 -12.342 5.110) 13.358 8.473 ( 0.000 3.426 2.121) 4.029 8.821 ( 0.000 -1.231 2.320) 2.626 8.923 ( 0.000 7.950 3.218) 8.576 8.974 ( 0.000 -0.422 2.688) 2.721 9.173 ( 0.000 4.416 -4.116) 6.037 10.134 ( 0.000 1.188 -3.561) 3.754 10.344 ( 0.000 1.346 -7.077) 7.204 10.436 ( 0.000 1.737 4.180) 4.527 10.559 ( 0.000 -2.494 -0.606) 2.566 10.832 ( 0.000 -4.044 1.124) 4.197 10.930 ( 0.000 0.162 -0.027) 0.164 11.049 ( 0.000 0.417 1.805) 1.852 11.397 ( 0.000 2.011 -0.311) 2.035 11.574 ( 0.000 -0.248 -0.655) 0.701 11.797 ( 0.000 2.154 -4.411) 4.909 11.955 ( 0.000 0.838 2.059) 2.223 12.036 ( 0.000 -0.093 1.400) 1.404 ======================= Grid point 262 (87/125) ======================= q-point: ( 0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 16.928 19.219 24.940) 35.748 3.238 ( 8.415 27.420 23.410) 37.023 4.296 ( 9.287 12.556 -8.981) 18.016 4.490 ( 4.611 10.057 -9.412) 14.526 4.741 ( 7.755 13.662 27.267) 31.469 5.122 ( -3.955 -2.110 10.400) 11.325 5.258 ( 0.263 -1.471 5.250) 5.458 5.495 ( -2.472 -1.041 7.667) 8.122 5.770 ( -0.737 -0.905 4.236) 4.394 5.986 ( -2.792 -2.784 -4.072) 5.669 6.147 ( -2.645 -7.560 -8.029) 11.340 6.281 ( -1.321 -6.791 -13.611) 15.268 6.913 ( -2.083 -6.867 -0.236) 7.180 7.443 ( -1.196 -6.281 2.177) 6.755 7.595 ( -1.881 1.866 -4.320) 5.067 7.718 ( -1.809 -4.865 -3.797) 6.431 7.877 ( -1.872 2.707 -3.107) 4.526 7.962 ( 1.743 2.002 -5.921) 6.489 8.315 ( 1.442 -10.875 5.199) 12.140 8.523 ( 3.541 3.547 2.186) 5.468 8.760 ( -4.386 0.148 2.654) 5.129 8.930 ( -0.007 1.682 3.247) 3.657 8.978 ( 0.194 3.562 -0.134) 3.570 9.208 ( 2.956 3.563 -2.842) 5.432 10.147 ( 1.316 1.314 -2.954) 3.491 10.360 ( 1.346 1.358 -6.349) 6.630 10.419 ( -1.260 1.922 4.083) 4.685 10.572 ( 0.876 -1.720 -0.986) 2.167 10.827 ( -0.305 -3.071 0.802) 3.189 10.938 ( 0.742 -0.634 -0.111) 0.983 11.023 ( -2.222 0.561 2.102) 3.110 11.388 ( -1.176 1.796 -1.940) 2.893 11.589 ( 1.519 -0.174 0.812) 1.731 11.815 ( 1.588 1.906 -3.558) 4.338 11.940 ( -1.280 1.081 2.319) 2.861 12.038 ( 0.119 -0.016 0.830) 0.839 ======================= Grid point 263 (88/125) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 20.744 18.733 19.333) 33.985 3.483 ( 15.911 17.529 23.689) 33.490 4.496 ( 7.550 6.134 -10.128) 14.043 4.663 ( 13.367 10.477 -5.332) 17.801 4.937 ( 8.980 6.685 19.280) 22.294 5.034 ( -2.848 5.932 7.524) 9.995 5.233 ( -2.884 1.206 8.783) 9.322 5.437 ( -2.074 -0.311 4.121) 4.624 5.720 ( -4.965 -2.635 -3.977) 6.886 5.912 ( -4.017 -3.018 -3.268) 5.994 6.121 ( 0.104 -4.920 -3.794) 6.214 6.230 ( -3.367 -4.849 -10.534) 12.076 6.883 ( 0.108 -4.953 3.888) 6.298 7.372 ( -4.999 -6.427 6.281) 10.284 7.519 ( -5.787 -0.656 2.509) 6.342 7.739 ( 3.065 -4.507 -7.503) 9.274 7.860 ( 1.298 1.972 -6.281) 6.710 7.999 ( 1.891 0.699 -8.096) 8.343 8.346 ( -0.691 -3.768 4.618) 6.000 8.524 ( -3.018 -0.196 6.889) 7.524 8.739 ( 3.099 -0.044 -1.489) 3.438 8.923 ( -0.489 -0.189 -0.164) 0.549 8.970 ( -0.909 2.287 0.879) 2.613 9.268 ( 2.433 2.559 -1.900) 4.010 10.185 ( 2.338 1.682 -1.434) 3.218 10.372 ( -0.823 2.102 2.195) 3.149 10.411 ( 1.080 1.941 -2.986) 3.722 10.583 ( 0.125 -0.189 -2.287) 2.299 10.825 ( 0.087 -1.454 0.439) 1.521 10.950 ( -0.185 -1.047 1.479) 1.821 10.977 ( -1.603 -0.116 0.133) 1.613 11.341 ( -3.416 1.086 -3.858) 5.267 11.633 ( 2.723 0.454 3.044) 4.110 11.850 ( 1.417 1.400 -0.456) 2.043 11.915 ( -0.711 1.711 1.311) 2.270 12.039 ( -0.053 0.217 0.032) 0.226 ======================= Grid point 264 (89/125) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 17.069 18.817 18.192) 31.247 3.864 ( 19.968 9.048 20.245) 29.841 4.550 ( -2.911 4.541 3.373) 6.362 4.868 ( -4.814 9.472 2.239) 10.859 4.977 ( 8.223 1.925 -5.190) 9.912 5.118 ( 5.461 3.194 1.155) 6.431 5.245 ( 6.279 4.027 12.701) 14.729 5.434 ( 1.227 -1.810 -0.767) 2.317 5.592 ( -6.098 -1.169 -6.153) 8.741 5.819 ( -5.290 -1.874 -5.597) 7.926 6.117 ( -1.708 -3.983 -8.168) 9.246 6.166 ( -2.486 -3.375 -4.448) 6.112 6.969 ( 9.551 -0.663 11.980) 15.335 7.279 ( -3.467 -5.277 8.143) 10.304 7.393 ( -5.922 -3.356 6.907) 9.697 7.781 ( 1.212 -5.367 -6.473) 8.495 7.916 ( 1.332 -1.517 -7.887) 8.141 8.056 ( 1.942 5.135 -4.256) 6.946 8.193 ( -8.773 5.773 -0.147) 10.503 8.553 ( 4.018 -8.568 5.568) 10.980 8.763 ( -2.451 4.841 -4.742) 7.206 8.938 ( -1.064 -2.968 4.677) 5.641 8.961 ( 3.827 -2.468 -1.761) 4.882 9.294 ( 0.048 1.424 -1.962) 2.425 10.235 ( 2.432 2.136 0.621) 3.296 10.345 ( -1.555 2.869 4.979) 5.953 10.442 ( 1.744 1.925 -4.710) 5.379 10.574 ( -1.178 1.326 -3.855) 4.243 10.830 ( 0.298 0.077 0.226) 0.382 10.926 ( -0.952 0.022 2.491) 2.667 10.969 ( -0.098 -1.842 -2.058) 2.764 11.261 ( -4.143 0.006 -4.207) 5.904 11.692 ( 2.995 1.380 4.276) 5.400 11.853 ( -0.845 1.717 4.065) 4.493 11.928 ( 1.569 1.596 -1.444) 2.663 12.035 ( -0.343 0.554 -0.369) 0.749 ======================= Grid point 265 (90/125) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.050 ( 14.667 12.128 17.347) 25.751 4.216 ( 9.885 9.599 16.364) 21.392 4.426 ( -3.254 8.093 12.400) 15.161 4.643 ( -14.494 11.167 10.527) 21.109 5.115 ( 6.866 -1.478 -3.856) 8.012 5.250 ( -2.733 -1.994 -3.652) 4.978 5.360 ( 9.436 -0.006 -7.634) 12.138 5.448 ( 0.268 0.026 -6.070) 6.076 5.526 ( -2.538 -0.313 -4.030) 4.772 5.722 ( -3.021 0.528 -2.526) 3.973 6.064 ( -2.238 -5.180 -8.449) 10.160 6.125 ( -1.334 -4.151 -4.696) 6.408 7.203 ( 4.154 -3.734 13.807) 14.894 7.269 ( 1.611 0.963 11.490) 11.642 7.342 ( 10.164 -1.478 9.358) 13.895 7.717 ( -17.096 5.769 9.476) 20.380 7.821 ( -1.441 -4.361 -5.231) 6.961 7.964 ( -1.246 -3.837 -9.555) 10.371 8.307 ( 10.497 6.667 -11.022) 16.617 8.536 ( -7.073 3.949 -7.051) 10.740 8.757 ( 3.603 -5.439 4.671) 8.024 8.879 ( -3.749 -6.034 4.964) 8.666 9.065 ( 4.043 -1.787 -0.383) 4.437 9.274 ( -1.510 -0.132 -2.718) 3.112 10.279 ( 1.840 2.495 2.939) 4.272 10.314 ( -1.527 2.854 4.384) 5.449 10.483 ( 2.372 2.284 -4.566) 5.629 10.535 ( -2.494 2.204 -4.490) 5.589 10.833 ( 0.058 0.774 -0.392) 0.870 10.924 ( 0.420 0.483 1.626) 1.747 10.964 ( -0.288 -1.873 -2.314) 2.991 11.192 ( -2.085 -1.053 -3.680) 4.358 11.744 ( 1.746 2.044 4.742) 5.451 11.833 ( -0.890 2.108 4.629) 5.163 11.957 ( 0.960 1.187 -1.006) 1.828 12.027 ( -0.361 0.863 -0.571) 1.096 ======================= Grid point 270 (91/125) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 0.000 24.411 23.176) 33.661 3.715 ( 0.000 24.937 22.080) 33.307 4.483 ( 0.000 12.160 -9.954) 15.715 4.572 ( 0.000 -0.719 1.036) 1.261 4.849 ( 0.000 -3.305 17.732) 18.037 5.198 ( 0.000 14.322 17.246) 22.418 5.200 ( 0.000 -1.561 -2.083) 2.603 5.480 ( 0.000 1.382 1.942) 2.384 5.831 ( 0.000 0.226 2.424) 2.434 5.964 ( 0.000 -1.738 -3.426) 3.841 6.021 ( 0.000 -7.795 -9.603) 12.368 6.114 ( 0.000 -6.927 -11.650) 13.554 6.823 ( 0.000 -3.016 0.832) 3.129 7.345 ( 0.000 -4.725 1.662) 5.009 7.604 ( 0.000 -7.837 0.199) 7.839 7.667 ( 0.000 3.610 -4.083) 5.451 7.891 ( 0.000 -12.422 6.185) 13.877 7.999 ( 0.000 6.194 -5.600) 8.350 8.174 ( 0.000 2.331 -2.203) 3.208 8.467 ( 0.000 -4.191 -4.474) 6.130 8.818 ( 0.000 0.996 4.617) 4.723 8.975 ( 0.000 0.268 3.502) 3.512 9.064 ( 0.000 5.570 4.330) 7.054 9.240 ( 0.000 2.370 -6.855) 7.253 10.159 ( 0.000 1.156 -3.214) 3.416 10.368 ( 0.000 1.033 -5.562) 5.657 10.475 ( 0.000 1.975 3.127) 3.699 10.517 ( 0.000 -1.584 0.089) 1.587 10.773 ( 0.000 -1.806 2.207) 2.852 10.941 ( 0.000 0.868 0.299) 0.918 11.040 ( 0.000 -1.228 1.123) 1.664 11.419 ( 0.000 -0.149 -3.301) 3.304 11.564 ( 0.000 -0.151 3.183) 3.187 11.845 ( 0.000 2.402 -4.129) 4.777 11.967 ( 0.000 0.339 2.742) 2.763 12.031 ( 0.000 -0.422 1.823) 1.871 ======================= Grid point 271 (92/125) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 12.516 21.777 21.252) 32.901 3.763 ( 4.687 23.805 21.526) 32.435 4.520 ( 3.255 6.675 -6.271) 9.720 4.638 ( 6.623 3.388 -2.986) 8.016 4.875 ( 2.346 -4.563 16.362) 17.147 5.166 ( 0.309 5.064 9.023) 10.351 5.273 ( 2.453 7.895 2.770) 8.719 5.473 ( -0.144 1.854 2.420) 3.052 5.790 ( -3.449 -0.549 0.425) 3.518 5.931 ( -3.696 -2.638 -2.480) 5.174 6.018 ( 1.055 -3.365 -6.044) 6.998 6.129 ( 0.506 -7.186 -11.361) 13.453 6.814 ( -0.478 -2.097 2.238) 3.104 7.319 ( -2.699 -5.428 3.126) 6.820 7.589 ( -1.648 -5.892 -0.508) 6.139 7.650 ( -1.426 1.807 -1.980) 3.036 7.899 ( 0.349 -10.015 4.062) 10.813 7.975 ( -1.265 3.872 -4.601) 6.145 8.161 ( 0.021 0.749 -3.729) 3.804 8.532 ( 5.363 -3.815 -5.235) 8.410 8.781 ( -4.157 2.330 4.625) 6.641 8.931 ( -2.450 -0.084 5.402) 5.932 9.091 ( 0.852 5.646 0.228) 5.715 9.256 ( 1.634 1.196 -4.636) 5.059 10.175 ( 1.621 1.315 -2.617) 3.347 10.386 ( 1.587 1.197 -5.095) 5.469 10.458 ( -0.923 1.738 3.234) 3.786 10.545 ( 1.908 -0.842 -0.185) 2.094 10.776 ( 0.346 -1.805 2.000) 2.716 10.940 ( -0.028 0.595 0.314) 0.674 11.020 ( -1.728 -0.766 1.049) 2.162 11.401 ( -1.967 -0.651 -4.214) 4.696 11.588 ( 2.294 0.370 3.994) 4.621 11.858 ( 1.244 2.284 -3.272) 4.180 11.955 ( -0.908 0.397 2.645) 2.825 12.035 ( 0.292 -0.286 1.429) 1.486 ======================= Grid point 272 (93/125) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 18.608 16.123 17.729) 30.340 3.899 ( 8.717 21.339 19.452) 30.161 4.597 ( 3.814 2.050 -0.534) 4.363 4.824 ( 10.849 4.845 -8.778) 14.773 4.931 ( 2.873 -4.807 11.990) 13.233 5.201 ( 2.294 3.462 9.256) 10.145 5.262 ( -2.486 4.773 -0.409) 5.397 5.465 ( -1.851 3.497 1.066) 4.098 5.701 ( -5.413 -0.277 -3.169) 6.279 5.855 ( -3.298 -1.757 -3.199) 4.919 6.052 ( 1.094 -2.208 -4.992) 5.567 6.124 ( -0.242 -4.037 -6.451) 7.613 6.834 ( 3.649 0.926 8.146) 8.974 7.240 ( -4.549 -5.624 5.598) 9.146 7.505 ( -7.031 -1.261 4.014) 8.194 7.639 ( 0.984 -4.236 -3.563) 5.622 7.902 ( 0.469 -0.374 -4.937) 4.974 8.005 ( 4.493 -4.259 0.363) 6.202 8.198 ( 3.568 -1.186 -5.545) 6.700 8.609 ( -5.750 3.014 3.004) 7.154 8.690 ( 3.254 -2.600 -2.802) 5.020 8.893 ( -1.789 -2.062 6.065) 6.651 9.066 ( -3.323 5.771 -3.886) 7.711 9.294 ( 1.525 0.008 -2.350) 2.801 10.222 ( 2.853 1.765 -1.105) 3.532 10.416 ( 0.659 2.091 -0.259) 2.208 10.449 ( 0.474 1.682 -0.017) 1.747 10.579 ( 1.335 -0.204 -1.467) 1.994 10.792 ( 1.294 -1.478 1.558) 2.507 10.937 ( -0.450 -0.219 1.196) 1.296 10.980 ( -1.945 0.139 -0.337) 1.979 11.336 ( -4.363 -1.401 -4.725) 6.582 11.651 ( 3.665 1.187 4.686) 6.066 11.885 ( 1.009 1.983 0.180) 2.232 11.942 ( -0.017 0.826 0.789) 1.142 12.041 ( 0.261 -0.008 0.770) 0.813 ======================= Grid point 273 (94/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.051 ( 14.418 11.130 18.548) 25.996 4.130 ( 15.492 18.294 12.658) 27.109 4.643 ( -0.270 3.778 4.957) 6.238 4.967 ( 2.208 -2.225 5.283) 6.143 5.029 ( 3.290 4.087 -6.048) 8.007 5.188 ( 1.827 3.933 0.154) 4.339 5.269 ( 0.352 -0.751 4.075) 4.158 5.417 ( -0.779 -0.214 -1.369) 1.590 5.591 ( -4.535 0.281 -3.408) 5.680 5.780 ( -4.351 -1.424 -5.466) 7.130 6.014 ( -3.721 -5.866 -9.258) 11.574 6.118 ( -2.391 -1.244 -3.997) 4.821 7.008 ( 12.198 3.725 15.712) 20.237 7.178 ( 0.667 -2.502 7.554) 7.985 7.345 ( -7.546 -1.814 8.276) 11.345 7.681 ( 2.804 -3.693 -7.760) 9.040 7.898 ( -1.163 -0.529 -8.923) 9.014 8.142 ( 5.656 -3.143 4.243) 7.737 8.268 ( 0.473 2.858 -1.505) 3.264 8.425 ( -4.682 1.238 2.600) 5.497 8.817 ( 2.872 -2.197 -0.686) 3.681 8.848 ( -0.357 -5.030 2.078) 5.454 8.971 ( -4.858 4.433 -5.900) 8.835 9.298 ( -1.431 -1.080 -2.963) 3.463 10.281 ( 2.821 2.243 0.984) 3.736 10.403 ( -1.412 2.645 4.810) 5.668 10.481 ( 2.114 1.755 -4.072) 4.913 10.593 ( -0.097 0.530 -3.034) 3.082 10.828 ( 2.130 -0.202 0.797) 2.283 10.917 ( -1.148 -0.564 1.638) 2.078 10.954 ( -0.635 0.051 -1.489) 1.620 11.234 ( -5.297 -2.302 -4.200) 7.141 11.728 ( 3.785 1.892 4.831) 6.422 11.888 ( -0.583 1.609 3.962) 4.316 11.962 ( 1.561 1.551 -1.384) 2.600 12.044 ( -0.020 0.305 0.275) 0.411 ======================= Grid point 274 (95/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.289 ( 9.946 11.002 15.879) 21.728 4.426 ( 6.461 10.166 11.547) 16.686 4.611 ( 2.978 9.752 8.399) 13.210 4.860 ( -11.947 9.451 6.451) 16.543 5.071 ( 5.099 -3.051 1.081) 6.039 5.199 ( -5.061 -2.256 0.723) 5.588 5.364 ( 9.276 0.428 -9.316) 13.154 5.445 ( 1.587 -0.705 -5.848) 6.100 5.523 ( -3.445 -0.050 -4.493) 5.662 5.697 ( -2.819 -3.326 -2.416) 4.984 5.949 ( -1.811 -5.615 -8.223) 10.120 6.033 ( -4.116 -4.427 -4.479) 7.524 7.106 ( 1.124 -4.535 10.354) 11.359 7.203 ( -4.042 -4.667 7.536) 9.742 7.474 ( 21.152 10.891 16.318) 28.850 7.736 ( 2.010 -1.365 -9.613) 9.915 7.859 ( -4.117 0.785 -6.698) 7.902 7.928 ( -17.009 5.341 8.157) 19.605 8.404 ( 8.876 -2.913 1.538) 9.468 8.487 ( 4.330 -3.360 -0.401) 5.495 8.739 ( -4.932 -2.602 2.113) 5.964 8.795 ( -5.318 3.916 -5.481) 8.582 9.017 ( 5.384 -2.954 -3.506) 7.071 9.241 ( -3.378 -3.103 -4.887) 6.703 10.331 ( 2.045 2.425 3.247) 4.539 10.370 ( -1.719 2.503 4.511) 5.437 10.528 ( 2.424 1.976 -4.181) 5.221 10.573 ( -1.777 1.453 -3.954) 4.572 10.856 ( 0.265 1.338 -0.365) 1.412 10.919 ( 1.275 -0.620 0.772) 1.615 10.945 ( -0.405 -0.274 -1.140) 1.241 11.142 ( -3.055 -3.562 -3.149) 5.651 11.793 ( 2.283 2.529 4.747) 5.843 11.870 ( -0.983 1.478 4.493) 4.830 11.989 ( 0.910 1.796 -0.718) 2.137 12.040 ( -0.230 0.459 -0.133) 0.531 ======================= Grid point 279 (96/125) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 0.000 17.663 17.787) 25.067 4.153 ( 0.000 17.906 22.291) 28.592 4.393 ( 0.000 -12.244 17.089) 21.023 4.529 ( 0.000 -9.786 14.179) 17.228 4.795 ( 0.000 2.679 -4.995) 5.668 5.262 ( 0.000 4.878 -7.581) 9.015 5.467 ( 0.000 6.741 -1.805) 6.979 5.540 ( 0.000 3.873 -6.000) 7.141 5.723 ( 0.000 -8.061 -1.390) 8.180 5.906 ( 0.000 -2.233 -2.893) 3.655 5.968 ( 0.000 1.277 -6.060) 6.193 6.063 ( 0.000 0.170 -7.212) 7.214 6.838 ( 0.000 3.791 6.094) 7.177 7.273 ( 0.000 -1.987 2.730) 3.377 7.394 ( 0.000 -11.178 8.374) 13.967 7.689 ( 0.000 -4.545 4.258) 6.228 7.730 ( 0.000 1.947 0.650) 2.052 8.149 ( 0.000 8.573 -8.499) 12.072 8.237 ( 0.000 2.029 -3.527) 4.069 8.329 ( 0.000 -8.582 -8.187) 11.861 8.843 ( 0.000 0.924 4.334) 4.431 8.978 ( 0.000 0.040 5.001) 5.001 9.140 ( 0.000 1.906 5.418) 5.744 9.272 ( 0.000 0.815 -8.786) 8.824 10.176 ( 0.000 0.485 -2.952) 2.992 10.385 ( 0.000 0.529 -4.611) 4.641 10.495 ( 0.000 -0.560 0.503) 0.753 10.507 ( 0.000 0.949 2.313) 2.500 10.753 ( 0.000 -0.402 2.838) 2.866 10.962 ( 0.000 1.095 2.189) 2.447 11.008 ( 0.000 -1.481 -1.050) 1.815 11.400 ( 0.000 -0.962 -5.710) 5.790 11.571 ( 0.000 0.432 6.256) 6.271 11.884 ( 0.000 1.222 -4.038) 4.219 11.970 ( 0.000 0.057 3.148) 3.149 12.022 ( 0.000 -0.399 2.236) 2.271 ======================= Grid point 280 (97/125) ======================= q-point: ( 0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.767 ( 7.834 15.377 16.955) 24.193 4.186 ( 3.333 17.387 20.703) 27.240 4.426 ( 3.463 -10.745 15.877) 19.481 4.601 ( 6.248 -9.781 13.809) 18.038 4.830 ( 3.520 3.180 -6.092) 7.721 5.234 ( -1.705 2.819 -5.538) 6.444 5.446 ( -3.267 4.420 -2.222) 5.929 5.547 ( 0.008 2.374 -8.230) 8.566 5.737 ( 1.947 -2.157 -1.059) 3.093 5.871 ( -3.286 -3.081 -1.875) 4.879 6.019 ( 3.429 2.136 -5.546) 6.861 6.050 ( -0.379 -0.851 -7.614) 7.670 6.848 ( 1.411 4.483 7.875) 9.171 7.241 ( -2.983 -1.933 3.608) 5.065 7.421 ( 2.538 -9.632 7.621) 12.541 7.671 ( -1.686 -3.003 2.444) 4.223 7.698 ( -2.823 -1.565 4.436) 5.486 8.080 ( -5.397 3.995 -4.619) 8.150 8.237 ( 2.075 4.792 -10.328) 11.573 8.409 ( 5.245 -6.749 -8.378) 11.969 8.818 ( -2.624 0.806 4.364) 5.155 8.938 ( -3.362 0.567 6.944) 7.736 9.180 ( 2.595 2.738 2.380) 4.460 9.261 ( -0.789 -0.408 -7.312) 7.366 10.195 ( 1.867 0.551 -2.439) 3.121 10.406 ( 1.905 0.617 -4.438) 4.869 10.480 ( -0.542 0.397 2.438) 2.529 10.539 ( 1.994 0.101 0.656) 2.101 10.754 ( 0.261 -0.473 2.699) 2.753 10.955 ( -0.724 0.651 2.553) 2.733 11.000 ( -0.684 -0.868 -1.694) 2.023 11.377 ( -2.353 -1.025 -5.553) 6.118 11.600 ( 2.725 0.501 6.004) 6.612 11.898 ( 1.264 1.309 -3.500) 3.945 11.957 ( -1.037 -0.156 3.277) 3.441 12.029 ( 0.558 -0.234 1.857) 1.953 ======================= Grid point 281 (98/125) ======================= q-point: ( 0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.979 ( 12.431 10.353 15.588) 22.465 4.289 ( 6.849 15.681 16.360) 23.674 4.532 ( 6.710 -6.485 13.469) 16.386 4.744 ( 7.112 -9.280 11.667) 16.517 4.938 ( 7.144 3.589 -8.378) 11.580 5.216 ( -0.317 -0.261 -1.464) 1.521 5.351 ( -4.979 2.583 -2.495) 6.139 5.509 ( -3.753 0.107 -6.671) 7.655 5.718 ( -5.608 2.293 -1.103) 6.158 5.826 ( -0.853 -2.405 -4.485) 5.160 5.998 ( -2.765 -1.292 -9.844) 10.307 6.116 ( 2.741 0.931 -4.808) 5.612 6.923 ( 6.570 5.727 13.012) 15.661 7.174 ( -2.431 -0.351 5.587) 6.103 7.450 ( -3.195 -4.154 5.773) 7.797 7.595 ( -1.030 0.151 4.760) 4.873 7.716 ( 4.421 -10.242 4.634) 12.080 7.991 ( -3.325 1.034 -6.103) 7.026 8.313 ( 5.168 8.088 -11.445) 14.937 8.518 ( 5.102 -7.556 -8.920) 12.755 8.735 ( -4.975 2.858 4.090) 7.046 8.852 ( -5.243 -1.684 9.042) 10.587 9.173 ( -3.393 4.207 -5.943) 8.033 9.270 ( 1.142 -2.022 -1.220) 2.623 10.249 ( 3.294 0.766 -1.086) 3.552 10.451 ( 2.111 1.161 -2.853) 3.734 10.471 ( -0.293 0.403 2.808) 2.852 10.576 ( 1.527 -0.066 -0.619) 1.649 10.772 ( 1.723 -0.463 2.191) 2.825 10.932 ( -1.441 -0.238 2.983) 3.321 10.985 ( -0.827 0.283 -2.937) 3.065 11.303 ( -4.877 -1.206 -4.969) 7.066 11.672 ( 4.126 0.667 5.539) 6.939 11.923 ( 0.224 1.524 1.593) 2.216 11.946 ( 0.961 -0.394 -0.455) 1.134 12.040 ( 0.532 -0.033 1.262) 1.370 ======================= Grid point 282 (99/125) ======================= q-point: ( 0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.240 ( 12.704 6.442 15.063) 20.731 4.454 ( 8.804 11.070 11.312) 18.111 4.677 ( 6.993 0.645 9.855) 12.101 4.867 ( 4.590 -6.419 8.000) 11.237 5.092 ( 5.182 3.210 -6.121) 8.638 5.177 ( -1.610 -3.751 1.486) 4.344 5.318 ( 1.409 3.575 -4.321) 5.782 5.411 ( -4.424 -0.504 -3.638) 5.750 5.586 ( -6.034 -0.265 -0.692) 6.080 5.761 ( -5.901 -1.245 -5.922) 8.452 5.931 ( -3.580 -1.300 -10.049) 10.746 6.093 ( -5.073 -1.275 -6.472) 8.321 7.024 ( 0.832 -1.060 8.940) 9.041 7.252 ( 2.968 5.363 10.024) 11.749 7.326 ( 3.477 0.652 11.177) 11.723 7.668 ( 5.735 3.857 -2.637) 7.397 7.850 ( 5.905 -8.889 1.111) 10.729 7.944 ( 0.636 -5.556 -1.747) 5.859 8.403 ( -0.404 6.506 -0.547) 6.541 8.513 ( -4.789 4.033 -0.649) 6.294 8.727 ( -0.443 -4.088 3.091) 5.144 8.749 ( 2.529 -4.414 -3.190) 6.005 9.075 ( -5.854 4.093 -7.055) 10.040 9.259 ( -2.742 -2.096 -3.045) 4.603 10.317 ( 3.078 1.004 0.978) 3.382 10.443 ( -1.598 1.106 5.014) 5.377 10.507 ( 2.542 0.739 -4.011) 4.806 10.597 ( 0.451 -0.023 -2.193) 2.239 10.826 ( 3.388 -0.036 1.280) 3.622 10.905 ( -1.029 -0.504 2.189) 2.471 10.965 ( -1.102 0.654 -2.895) 3.166 11.188 ( -6.212 -1.644 -3.949) 7.543 11.758 ( 4.222 0.874 5.131) 6.702 11.912 ( -0.798 0.681 4.236) 4.364 11.984 ( 2.050 0.597 -1.632) 2.687 12.048 ( 0.161 0.106 0.765) 0.789 ======================= Grid point 283 (100/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.469 ( 9.333 5.772 13.804) 17.634 4.581 ( 1.143 4.243 10.816) 11.675 4.791 ( 4.180 7.311 5.532) 10.076 4.921 ( 1.005 -4.203 6.339) 7.672 5.071 ( -1.837 3.414 2.751) 4.754 5.177 ( -3.311 -0.050 0.332) 3.328 5.380 ( 6.786 1.176 -8.317) 10.798 5.422 ( 2.570 -1.272 -5.516) 6.217 5.505 ( -1.659 -1.623 -1.821) 2.950 5.610 ( -7.761 -3.684 -4.452) 9.676 5.879 ( -0.617 -0.822 -8.102) 8.167 5.958 ( -6.337 -2.695 -5.839) 9.028 7.041 ( 1.983 -1.666 7.910) 8.324 7.129 ( -5.799 -2.176 8.154) 10.240 7.647 ( 14.503 2.609 0.460) 14.743 7.813 ( 7.259 8.764 0.944) 11.419 7.828 ( -0.881 1.404 -8.497) 8.658 8.059 ( -1.264 -2.379 14.085) 14.340 8.245 ( -2.960 -0.466 9.956) 10.397 8.401 ( -9.415 -8.585 8.494) 15.313 8.757 ( 6.189 4.355 -6.454) 9.946 8.879 ( 0.420 -0.331 -6.146) 6.169 8.981 ( 1.334 1.746 -8.418) 8.700 9.159 ( -6.527 -4.164 -6.282) 9.970 10.368 ( 2.060 1.039 3.293) 4.021 10.407 ( -1.849 0.973 4.730) 5.172 10.557 ( 2.255 0.827 -4.177) 4.818 10.592 ( -0.997 0.414 -3.546) 3.707 10.882 ( 0.838 1.168 0.180) 1.449 10.904 ( 1.095 -0.936 0.851) 1.674 10.955 ( 0.947 1.112 -1.879) 2.380 11.069 ( -4.928 -2.944 -2.634) 6.316 11.834 ( 3.053 1.222 4.771) 5.795 11.889 ( -1.567 0.424 4.485) 4.770 12.019 ( 1.275 0.947 -0.549) 1.681 12.045 ( -0.420 0.020 0.208) 0.469 ======================= Grid point 324 (101/125) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 0.000 0.000 30.770) 30.770 3.009 ( 0.000 0.000 33.674) 33.674 3.488 ( 0.000 0.000 -25.498) 25.498 3.648 ( 0.000 0.000 -29.202) 29.202 5.224 ( 0.000 0.000 40.540) 40.540 5.432 ( 0.000 0.000 2.882) 2.882 5.452 ( 0.000 0.000 2.090) 2.090 5.547 ( 0.000 0.000 11.270) 11.270 5.873 ( 0.000 0.000 -11.369) 11.369 5.996 ( 0.000 0.000 -26.353) 26.353 6.132 ( 0.000 0.000 7.809) 7.809 6.247 ( 0.000 0.000 -4.101) 4.101 7.224 ( 0.000 0.000 4.202) 4.202 7.362 ( 0.000 0.000 -8.785) 8.785 7.563 ( 0.000 0.000 -2.318) 2.318 7.570 ( 0.000 0.000 -2.674) 2.674 7.923 ( 0.000 0.000 4.898) 4.898 8.034 ( 0.000 0.000 -5.654) 5.654 8.392 ( 0.000 0.000 4.106) 4.106 8.459 ( 0.000 0.000 -2.284) 2.284 8.901 ( 0.000 0.000 2.038) 2.038 8.930 ( 0.000 0.000 -0.749) 0.749 8.964 ( 0.000 0.000 5.111) 5.111 9.027 ( 0.000 0.000 -0.962) 0.962 10.075 ( 0.000 0.000 0.913) 0.913 10.148 ( 0.000 0.000 -6.144) 6.144 10.499 ( 0.000 0.000 4.646) 4.646 10.577 ( 0.000 0.000 -3.021) 3.021 10.932 ( 0.000 0.000 -1.102) 1.102 10.950 ( 0.000 0.000 -2.561) 2.561 11.101 ( 0.000 0.000 6.912) 6.912 11.233 ( 0.000 0.000 -5.718) 5.718 11.584 ( 0.000 0.000 3.349) 3.349 11.662 ( 0.000 0.000 -4.147) 4.147 11.983 ( 0.000 0.000 2.974) 2.974 12.030 ( 0.000 0.000 -1.433) 1.433 ======================= Grid point 325 (102/125) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 10.142 0.000 32.412) 33.961 3.132 ( 19.982 0.000 27.737) 34.185 3.657 ( 15.793 0.000 -23.603) 28.399 3.731 ( 7.983 0.000 -28.152) 29.262 5.250 ( 2.474 0.000 37.501) 37.582 5.367 ( -4.790 0.000 6.703) 8.239 5.467 ( -0.175 0.000 -2.208) 2.215 5.485 ( -5.990 0.000 12.108) 13.509 5.813 ( -5.702 0.000 -10.922) 12.321 5.979 ( -1.526 0.000 -24.958) 25.005 6.096 ( -3.291 0.000 7.675) 8.350 6.234 ( -1.436 0.000 -5.136) 5.333 7.199 ( -1.908 0.000 6.028) 6.323 7.380 ( 1.678 0.000 -11.225) 11.350 7.527 ( -1.005 0.000 3.014) 3.177 7.630 ( 3.387 0.000 -6.300) 7.152 7.911 ( -1.240 0.000 6.050) 6.176 8.036 ( 0.097 0.000 -6.040) 6.040 8.382 ( -1.192 0.000 5.117) 5.254 8.473 ( 0.909 0.000 -3.609) 3.722 8.885 ( -1.131 0.000 2.802) 3.022 8.931 ( 0.112 0.000 -1.669) 1.672 8.974 ( 1.229 0.000 6.000) 6.125 9.059 ( 2.788 0.000 -2.199) 3.551 10.094 ( 1.875 0.000 1.253) 2.256 10.171 ( 2.136 0.000 -6.116) 6.478 10.478 ( -1.954 0.000 4.757) 5.143 10.562 ( -1.573 0.000 -3.513) 3.849 10.906 ( -1.447 0.000 1.343) 1.974 10.969 ( 0.935 0.000 -4.351) 4.450 11.084 ( -1.627 0.000 6.811) 7.003 11.214 ( -1.828 0.000 -5.642) 5.931 11.616 ( 2.846 0.000 3.282) 4.344 11.693 ( 2.840 0.000 -4.039) 4.937 11.970 ( -1.185 0.000 3.213) 3.424 12.022 ( -0.786 0.000 -1.650) 1.827 ======================= Grid point 326 (103/125) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 17.126 0.000 29.280) 33.921 3.628 ( 26.613 0.000 22.839) 35.070 3.954 ( 13.441 0.000 -25.127) 28.496 4.067 ( 22.977 0.000 -20.017) 30.473 5.252 ( -6.389 0.000 10.021) 11.884 5.275 ( -6.428 0.000 20.217) 21.214 5.358 ( -0.153 0.000 19.984) 19.984 5.438 ( -2.622 0.000 -7.099) 7.568 5.659 ( -8.745 0.000 -7.685) 11.642 5.942 ( -1.938 0.000 -21.061) 21.150 6.009 ( -5.069 0.000 7.893) 9.380 6.184 ( -3.416 0.000 -7.507) 8.247 7.177 ( 0.473 0.000 9.686) 9.697 7.436 ( 4.291 0.000 -15.009) 15.611 7.528 ( 0.973 0.000 8.117) 8.175 7.700 ( 3.477 0.000 -8.028) 8.749 7.873 ( -2.466 0.000 8.263) 8.623 8.029 ( -0.972 0.000 -6.947) 7.015 8.321 ( -5.649 0.000 7.389) 9.301 8.464 ( -2.737 0.000 -6.369) 6.932 8.881 ( 1.345 0.000 3.683) 3.921 8.950 ( 2.290 0.000 -2.851) 3.657 9.017 ( 2.802 0.000 6.633) 7.200 9.124 ( 3.222 0.000 -3.516) 4.769 10.145 ( 2.935 0.000 1.869) 3.480 10.225 ( 2.920 0.000 -5.813) 6.505 10.428 ( -2.732 0.000 4.641) 5.385 10.515 ( -2.966 0.000 -3.918) 4.914 10.885 ( -0.531 0.000 3.321) 3.363 10.983 ( 0.408 0.000 -5.636) 5.651 11.038 ( -2.853 0.000 6.398) 7.006 11.161 ( -3.318 0.000 -5.414) 6.350 11.685 ( 3.678 0.000 3.687) 5.208 11.765 ( 3.920 0.000 -3.889) 5.522 11.940 ( -1.701 0.000 3.815) 4.177 12.002 ( -1.084 0.000 -2.190) 2.444 ======================= Grid point 327 (104/125) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 20.077 0.000 25.315) 32.310 4.124 ( 20.917 0.000 20.665) 29.403 4.247 ( 14.704 0.000 -19.539) 24.453 4.505 ( 17.594 0.000 -16.305) 23.988 5.054 ( -11.003 0.000 15.335) 18.873 5.119 ( -6.329 0.000 11.056) 12.739 5.349 ( -7.305 0.000 -9.712) 12.153 5.362 ( -4.945 0.000 -11.264) 12.302 5.556 ( 2.330 0.000 15.573) 15.746 5.899 ( -5.686 0.000 8.394) 10.139 5.914 ( -0.475 0.000 -16.572) 16.579 6.100 ( -4.726 0.000 -9.689) 10.781 7.247 ( 7.112 0.000 14.011) 15.713 7.563 ( 2.403 0.000 11.353) 11.605 7.565 ( 8.332 0.000 -15.635) 17.717 7.769 ( 3.251 0.000 -8.380) 8.989 7.817 ( -2.616 0.000 8.822) 9.202 7.995 ( -2.348 0.000 -7.864) 8.207 8.138 ( -12.159 0.000 9.993) 15.738 8.343 ( -9.208 0.000 -9.691) 13.368 8.945 ( 4.563 0.000 4.389) 6.331 9.027 ( 4.937 0.000 -3.386) 5.986 9.073 ( 2.274 0.000 6.163) 6.569 9.176 ( 1.677 0.000 -3.566) 3.941 10.206 ( 3.058 0.000 2.229) 3.784 10.281 ( 2.582 0.000 -5.023) 5.648 10.372 ( -2.734 0.000 4.021) 4.862 10.449 ( -3.370 0.000 -3.794) 5.075 10.882 ( 0.196 0.000 3.840) 3.845 10.976 ( -3.022 0.000 5.571) 6.338 10.986 ( 0.067 0.000 -5.848) 5.849 11.088 ( -3.628 0.000 -5.131) 6.284 11.757 ( 3.417 0.000 4.368) 5.546 11.842 ( 3.556 0.000 -3.684) 5.120 11.905 ( -1.742 0.000 4.427) 4.758 11.979 ( -1.240 0.000 -2.747) 3.014 ======================= Grid point 328 (105/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( 19.221 0.000 20.770) 28.299 4.425 ( 5.758 0.000 17.751) 18.661 4.495 ( 7.713 0.000 -5.432) 9.434 4.574 ( -8.788 0.000 7.897) 11.815 5.028 ( -1.103 0.000 3.035) 3.229 5.029 ( 7.747 0.000 -6.777) 10.293 5.151 ( -8.387 0.000 -13.622) 15.997 5.235 ( -7.708 0.000 -13.209) 15.294 5.663 ( 6.067 0.000 12.476) 13.873 5.783 ( -5.821 0.000 9.194) 10.882 5.932 ( 2.350 0.000 -13.412) 13.617 6.004 ( -4.472 0.000 -11.427) 12.271 7.468 ( 13.894 0.000 16.164) 21.314 7.616 ( 2.223 0.000 13.160) 13.347 7.688 ( 0.136 0.000 5.321) 5.323 7.779 ( -8.134 0.000 3.965) 9.049 7.852 ( 9.594 0.000 -10.078) 13.914 7.904 ( -3.968 0.000 -0.109) 3.969 7.940 ( -2.792 0.000 -8.554) 8.998 8.110 ( -13.109 0.000 -13.008) 18.468 9.039 ( 4.127 0.000 4.788) 6.321 9.091 ( -0.748 0.000 5.299) 5.352 9.125 ( 4.167 0.000 -3.165) 5.233 9.182 ( -1.285 0.000 -3.098) 3.354 10.266 ( 2.777 0.000 2.414) 3.680 10.319 ( -2.556 0.000 3.069) 3.994 10.330 ( 2.375 0.000 -4.029) 4.677 10.384 ( -2.991 0.000 -3.623) 4.698 10.894 ( 0.957 0.000 3.924) 4.039 10.924 ( -2.062 0.000 4.548) 4.993 10.993 ( 0.772 0.000 -5.364) 5.419 11.025 ( -2.445 0.000 -5.034) 5.597 11.820 ( 2.725 0.000 4.760) 5.485 11.868 ( -2.034 0.000 4.767) 5.182 11.905 ( 2.655 0.000 -3.425) 4.334 11.949 ( -1.760 0.000 -3.139) 3.599 ======================= Grid point 333 (106/125) ======================= q-point: ( 0.00 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 0.000 10.217 29.280) 31.012 3.184 ( 0.000 16.258 29.004) 33.250 3.586 ( 0.000 9.497 -23.705) 25.537 3.775 ( 0.000 11.916 -26.418) 28.981 5.259 ( 0.000 3.260 35.753) 35.901 5.368 ( 0.000 -3.560 4.378) 5.643 5.428 ( 0.000 -2.097 5.005) 5.426 5.646 ( 0.000 6.482 8.812) 10.939 5.887 ( 0.000 1.145 -9.431) 9.501 5.976 ( 0.000 -2.554 -22.578) 22.722 6.062 ( 0.000 -6.041 5.626) 8.255 6.184 ( 0.000 -5.973 -5.183) 7.908 7.135 ( 0.000 -6.920 5.229) 8.674 7.310 ( 0.000 -3.631 -11.048) 11.629 7.618 ( 0.000 2.676 0.085) 2.678 7.648 ( 0.000 6.192 -3.200) 6.970 7.861 ( 0.000 -3.844 2.656) 4.672 7.932 ( 0.000 -7.225 -3.761) 8.145 8.457 ( 0.000 4.356 3.717) 5.727 8.508 ( 0.000 0.958 -1.096) 1.455 8.857 ( 0.000 -1.267 1.939) 2.317 8.872 ( 0.000 -2.034 0.332) 2.061 9.037 ( 0.000 0.714 1.547) 1.704 9.051 ( 0.000 4.182 -0.024) 4.182 10.085 ( 0.000 1.032 1.197) 1.581 10.163 ( 0.000 1.447 -6.238) 6.404 10.502 ( 0.000 0.271 4.162) 4.171 10.569 ( 0.000 -0.865 -2.395) 2.547 10.909 ( 0.000 -3.177 -1.131) 3.372 10.911 ( 0.000 -1.410 -1.514) 2.069 11.126 ( 0.000 1.786 6.922) 7.149 11.267 ( 0.000 2.479 -6.391) 6.855 11.594 ( 0.000 0.923 3.419) 3.541 11.674 ( 0.000 1.160 -4.221) 4.377 11.990 ( 0.000 0.676 2.835) 2.914 12.034 ( 0.000 0.369 -1.255) 1.308 ======================= Grid point 334 (107/125) ======================= q-point: ( 0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 14.297 8.562 27.398) 32.068 3.306 ( 12.900 14.970 27.233) 33.647 3.728 ( 12.874 7.662 -22.625) 27.135 3.867 ( 9.254 12.030 -24.830) 29.101 5.277 ( 1.139 1.739 28.123) 28.200 5.315 ( -4.167 -2.203 9.707) 10.790 5.430 ( -0.308 -1.740 5.027) 5.328 5.593 ( -4.938 6.494 8.366) 11.685 5.821 ( -5.973 0.320 -8.312) 10.241 5.960 ( -1.543 -2.274 -21.828) 22.001 6.045 ( -1.881 -4.313 5.014) 6.876 6.178 ( -0.726 -5.236 -5.793) 7.843 7.126 ( -0.445 -5.830 7.304) 9.356 7.340 ( 2.882 -2.783 -12.594) 13.216 7.584 ( -2.359 3.372 2.690) 4.917 7.663 ( 0.774 2.032 -4.656) 5.139 7.848 ( -1.268 -3.735 3.556) 5.310 7.937 ( 0.275 -7.134 -4.684) 8.539 8.454 ( -0.563 4.764 4.885) 6.847 8.533 ( 1.904 2.570 -2.584) 4.112 8.826 ( -1.992 -3.231 3.302) 5.031 8.876 ( -0.070 -2.241 -1.424) 2.656 9.028 ( 0.387 2.077 3.881) 4.419 9.094 ( 2.902 2.949 -2.239) 4.705 10.106 ( 1.943 1.099 1.511) 2.696 10.186 ( 2.116 1.432 -6.159) 6.668 10.483 ( -1.689 0.537 4.362) 4.709 10.558 ( -1.148 -0.409 -2.958) 3.200 10.884 ( -1.115 -1.713 1.096) 2.319 10.933 ( 0.918 -2.600 -3.342) 4.333 11.108 ( -1.749 1.686 6.971) 7.383 11.248 ( -1.858 2.425 -6.373) 7.067 11.624 ( 2.696 0.771 3.465) 4.457 11.703 ( 2.708 1.037 -4.107) 5.028 11.979 ( -1.105 0.750 3.058) 3.337 12.026 ( -0.708 0.445 -1.487) 1.706 ======================= Grid point 335 (108/125) ======================= q-point: ( 0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.500 ( 16.659 9.631 25.755) 32.150 3.700 ( 23.125 7.237 20.973) 32.047 4.022 ( 14.827 6.713 -20.617) 26.267 4.165 ( 19.478 9.021 -19.836) 29.228 5.184 ( -7.544 -2.987 10.040) 12.908 5.293 ( -2.693 -0.270 10.032) 10.390 5.421 ( -1.285 3.398 16.085) 16.490 5.480 ( -3.556 4.807 5.140) 7.885 5.666 ( -8.734 0.342 -6.711) 11.020 5.918 ( -2.571 -2.849 -14.792) 15.282 5.987 ( -3.454 -1.536 1.964) 4.260 6.147 ( -2.490 -3.484 -7.774) 8.876 7.141 ( 2.576 -3.005 11.528) 12.188 7.428 ( 5.991 -0.424 -15.245) 16.386 7.543 ( -1.354 0.745 6.761) 6.935 7.677 ( 0.738 -3.028 -4.567) 5.529 7.813 ( -2.056 -3.379 3.970) 5.604 7.934 ( -0.745 -7.061 -6.504) 9.629 8.404 ( -5.372 6.379 7.462) 11.191 8.544 ( -2.072 5.800 -5.834) 8.484 8.810 ( 1.284 -5.933 4.496) 7.554 8.888 ( 2.196 -4.090 -2.838) 5.441 9.054 ( 1.887 1.833 5.435) 6.038 9.154 ( 2.794 2.447 -3.874) 5.367 10.158 ( 3.060 1.290 2.057) 3.906 10.240 ( 2.926 1.429 -5.731) 6.591 10.441 ( -2.371 1.187 4.363) 5.105 10.521 ( -2.428 0.564 -3.562) 4.348 10.868 ( -0.413 -1.234 2.682) 2.981 10.946 ( 0.349 -2.657 -4.439) 5.185 11.060 ( -2.761 1.625 6.709) 7.435 11.195 ( -3.215 2.355 -6.204) 7.374 11.690 ( 3.594 0.592 3.890) 5.329 11.772 ( 3.722 0.738 -3.860) 5.413 11.950 ( -1.547 0.967 3.603) 4.038 12.009 ( -0.956 0.638 -2.042) 2.343 ======================= Grid point 336 (109/125) ======================= q-point: ( 0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( 18.823 8.025 22.783) 30.623 4.143 ( 19.451 2.617 14.888) 24.634 4.321 ( 14.037 6.425 -12.021) 19.566 4.557 ( 16.264 4.866 -16.263) 23.510 5.014 ( -8.054 -1.417 12.051) 14.564 5.172 ( -7.462 1.798 6.922) 10.336 5.313 ( -7.211 1.004 -6.369) 9.673 5.443 ( -7.795 3.518 -8.215) 11.858 5.569 ( 3.374 1.331 15.459) 15.879 5.853 ( -3.854 -3.425 1.086) 5.269 5.929 ( -1.768 0.318 -8.658) 8.843 6.078 ( -4.163 -2.108 -9.719) 10.781 7.255 ( 9.143 0.942 15.417) 17.949 7.536 ( 0.866 -2.549 9.863) 10.224 7.578 ( 7.640 0.827 -11.968) 14.223 7.694 ( 1.095 -6.111 -1.169) 6.317 7.783 ( 0.222 -2.360 -2.174) 3.216 7.906 ( -1.942 -6.707 -8.267) 10.821 8.219 ( -12.657 6.391 10.350) 17.554 8.425 ( -9.450 6.512 -9.412) 14.843 8.885 ( 5.433 -5.541 5.167) 9.323 8.974 ( 5.668 -4.020 -3.082) 7.601 9.088 ( 0.982 0.335 5.646) 5.741 9.196 ( 1.065 1.422 -4.348) 4.697 10.223 ( 3.204 1.556 2.356) 4.270 10.297 ( 2.658 1.521 -4.798) 5.692 10.391 ( -2.495 1.776 3.824) 4.900 10.465 ( -2.970 1.487 -3.681) 4.958 10.864 ( -0.117 -1.143 3.106) 3.312 10.946 ( -0.266 -2.586 -4.464) 5.166 11.005 ( -2.502 1.872 5.781) 6.572 11.127 ( -3.214 2.384 -5.867) 7.102 11.761 ( 3.334 0.527 4.436) 5.574 11.844 ( 3.321 0.421 -3.450) 4.807 11.919 ( -1.506 1.282 4.083) 4.537 11.989 ( -1.047 0.904 -2.594) 2.940 ======================= Grid point 337 (110/125) ======================= q-point: ( 0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( 17.579 5.327 19.055) 26.466 4.452 ( 7.838 2.711 14.942) 17.089 4.518 ( 3.063 2.586 0.065) 4.009 4.632 ( -6.162 5.154 3.294) 8.682 5.015 ( 5.579 0.155 -3.176) 6.421 5.073 ( 0.795 2.665 -1.255) 3.051 5.153 ( -6.332 0.886 -11.294) 12.978 5.265 ( -9.069 2.279 -11.774) 15.036 5.654 ( 3.348 -1.173 11.674) 12.201 5.779 ( -2.788 -0.269 8.366) 8.823 5.916 ( 0.190 -1.772 -12.458) 12.584 5.998 ( -2.960 -0.656 -11.034) 11.443 7.493 ( 11.790 2.153 15.119) 19.293 7.575 ( 2.671 -3.475 13.477) 14.172 7.627 ( 0.430 -5.074 8.644) 10.032 7.747 ( 0.500 -3.134 -6.218) 6.981 7.851 ( -1.198 -5.398 -6.693) 8.681 7.910 ( 6.808 3.725 -9.824) 12.519 7.933 ( -9.407 3.037 4.749) 10.967 8.186 ( -13.432 5.914 -12.960) 19.580 8.999 ( 5.207 -3.902 5.461) 8.495 9.073 ( -0.456 -1.872 4.418) 4.820 9.089 ( 2.596 -2.813 -1.277) 4.035 9.192 ( -1.276 0.171 -4.809) 4.978 10.285 ( 2.873 1.796 2.542) 4.236 10.337 ( -1.571 1.745 2.105) 3.153 10.352 ( 1.564 2.016 -2.927) 3.883 10.405 ( -2.919 1.954 -3.634) 5.054 10.862 ( -0.062 -1.372 3.098) 3.389 10.941 ( -0.172 -2.521 -4.115) 4.828 10.968 ( -1.014 2.321 4.777) 5.407 11.078 ( -1.385 2.502 -5.533) 6.228 11.818 ( 2.034 0.271 4.715) 5.142 11.887 ( -0.900 1.497 4.099) 4.455 11.902 ( 1.524 0.223 -2.791) 3.187 11.967 ( -1.008 1.368 -2.999) 3.446 ======================= Grid point 342 (111/125) ======================= q-point: ( 0.00 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 0.000 17.534 26.052) 31.402 3.598 ( 0.000 22.888 17.191) 28.625 3.854 ( 0.000 16.443 -16.912) 23.588 4.089 ( 0.000 17.956 -20.132) 26.976 5.312 ( 0.000 -0.782 12.459) 12.483 5.314 ( 0.000 -2.062 3.479) 4.044 5.400 ( 0.000 1.336 21.867) 21.907 5.715 ( 0.000 -3.892 9.095) 9.893 5.871 ( 0.000 -3.714 -5.870) 6.946 5.902 ( 0.000 -0.466 -6.627) 6.643 5.966 ( 0.000 -3.399 -8.889) 9.517 6.027 ( 0.000 -8.305 -6.021) 10.259 7.005 ( 0.000 -4.865 8.660) 9.933 7.260 ( 0.000 -0.751 -14.247) 14.267 7.605 ( 0.000 -3.368 2.989) 4.503 7.685 ( 0.000 -4.336 -4.423) 6.194 7.862 ( 0.000 3.802 0.186) 3.807 7.886 ( 0.000 4.450 -1.880) 4.831 8.406 ( 0.000 -9.793 4.668) 10.849 8.478 ( 0.000 -3.536 -1.885) 4.007 8.868 ( 0.000 2.266 2.743) 3.558 8.926 ( 0.000 6.317 -2.261) 6.709 9.051 ( 0.000 0.690 4.072) 4.131 9.117 ( 0.000 2.370 -2.380) 3.359 10.114 ( 0.000 1.694 1.797) 2.470 10.200 ( 0.000 2.067 -6.304) 6.634 10.508 ( 0.000 0.298 2.726) 2.742 10.544 ( 0.000 -1.372 -1.035) 1.719 10.853 ( 0.000 -2.001 1.332) 2.404 10.894 ( 0.000 -0.145 -2.558) 2.562 11.150 ( 0.000 0.232 7.093) 7.096 11.303 ( 0.000 0.669 -7.323) 7.354 11.620 ( 0.000 1.647 4.107) 4.424 11.708 ( 0.000 2.174 -4.406) 4.913 12.007 ( 0.000 0.851 2.529) 2.669 12.043 ( 0.000 0.403 -0.806) 0.901 ======================= Grid point 343 (112/125) ======================= q-point: ( 0.11 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( 12.306 15.718 23.834) 31.090 3.683 ( 8.257 20.885 17.279) 28.336 3.959 ( 9.831 14.601 -16.076) 23.838 4.169 ( 7.810 16.792 -19.247) 26.710 5.253 ( -4.056 -2.053 7.381) 8.669 5.324 ( -0.960 -0.878 3.415) 3.654 5.421 ( 2.130 1.575 23.712) 23.860 5.670 ( -4.151 -2.157 8.407) 9.620 5.798 ( -5.590 -2.026 -2.986) 6.654 5.889 ( -2.110 -2.781 -11.139) 11.674 5.974 ( 0.258 -2.599 -5.091) 5.722 6.045 ( 1.370 -6.936 -6.603) 9.673 7.016 ( 1.522 -3.896 10.858) 11.636 7.302 ( 4.160 -0.529 -14.781) 15.364 7.579 ( -2.407 -3.412 3.267) 5.301 7.649 ( -3.035 -3.842 -3.175) 5.835 7.844 ( -2.166 1.750 -0.314) 2.803 7.870 ( -1.132 3.057 -2.896) 4.361 8.428 ( 2.161 -8.802 5.544) 10.625 8.519 ( 3.807 -3.343 -2.843) 5.810 8.820 ( -4.325 2.361 3.759) 6.197 8.902 ( -2.483 4.804 -3.747) 6.579 9.057 ( 0.871 1.163 5.397) 5.589 9.150 ( 2.601 2.285 -3.533) 4.947 10.136 ( 2.126 1.803 2.047) 3.458 10.223 ( 2.131 2.095 -6.143) 6.831 10.497 ( -0.977 0.700 3.203) 3.421 10.546 ( -0.082 -0.677 -1.742) 1.871 10.849 ( -0.253 -1.518 1.648) 2.255 10.897 ( 0.276 -0.680 -2.820) 2.914 11.130 ( -1.803 0.278 7.172) 7.400 11.282 ( -1.963 0.641 -7.257) 7.545 11.647 ( 2.520 1.563 4.158) 5.107 11.734 ( 2.426 1.994 -4.240) 5.276 11.997 ( -0.920 0.953 2.731) 3.035 12.037 ( -0.523 0.521 -1.055) 1.287 ======================= Grid point 344 (113/125) ======================= q-point: ( 0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( 16.684 13.991 19.563) 29.272 3.920 ( 14.650 14.137 16.173) 26.000 4.211 ( 13.823 11.324 -12.822) 21.993 4.393 ( 13.768 12.527 -17.255) 25.382 5.150 ( -6.051 -0.577 7.921) 9.984 5.275 ( -3.784 -1.172 -1.479) 4.228 5.467 ( 0.706 0.306 17.448) 17.465 5.568 ( -4.752 1.486 8.112) 9.518 5.664 ( -7.125 -0.225 -1.962) 7.394 5.833 ( -3.095 -4.143 -6.386) 8.217 5.960 ( -1.648 -1.607 -5.394) 5.865 6.060 ( -0.359 -4.508 -8.082) 9.261 7.090 ( 6.452 -1.012 15.563) 16.878 7.420 ( 6.554 -1.546 -11.959) 13.724 7.525 ( -1.785 -1.602 2.637) 3.564 7.589 ( -2.360 -4.352 -1.765) 5.256 7.780 ( -3.620 -0.935 -0.953) 3.858 7.841 ( -1.831 -0.300 -6.287) 6.555 8.477 ( 1.003 -3.267 7.371) 8.125 8.605 ( 3.089 -0.683 -3.064) 4.405 8.720 ( -3.838 -1.116 3.988) 5.646 8.838 ( -2.813 1.296 -5.782) 6.559 9.078 ( 0.813 0.572 6.607) 6.682 9.199 ( 1.858 1.668 -4.907) 5.506 10.194 ( 3.383 2.110 2.427) 4.668 10.278 ( 3.025 2.210 -5.520) 6.671 10.472 ( -1.460 1.740 3.578) 4.238 10.534 ( -1.120 0.706 -2.661) 2.972 10.847 ( 0.077 -0.857 2.031) 2.206 10.903 ( 0.258 -1.280 -3.163) 3.422 11.082 ( -2.768 0.277 6.936) 7.473 11.226 ( -3.426 0.449 -6.878) 7.697 11.711 ( 3.586 1.545 4.357) 5.850 11.796 ( 3.425 1.702 -3.791) 5.384 11.974 ( -1.212 1.256 3.182) 3.629 12.024 ( -0.671 0.805 -1.613) 1.924 ======================= Grid point 345 (114/125) ======================= q-point: ( 0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.083 ( 16.180 13.066 16.892) 26.793 4.242 ( 16.199 7.103 12.695) 21.772 4.476 ( 11.414 8.378 -5.798) 15.300 4.683 ( 12.943 6.992 -15.496) 21.366 5.021 ( -5.770 1.986 8.522) 10.482 5.178 ( -5.328 -0.007 -2.772) 6.007 5.369 ( -8.322 2.522 2.789) 9.132 5.470 ( -7.421 -0.721 -2.312) 7.806 5.598 ( 0.955 0.533 10.164) 10.223 5.775 ( -2.260 -3.815 -0.182) 4.437 5.915 ( -2.603 -1.966 -6.514) 7.285 6.023 ( -2.998 -2.998 -9.514) 10.416 7.295 ( 13.609 2.970 17.984) 22.747 7.452 ( -0.700 -6.076 8.063) 10.120 7.536 ( -1.397 -3.331 5.136) 6.279 7.625 ( 4.326 -2.610 -9.173) 10.472 7.741 ( 1.368 -1.358 -7.827) 8.061 7.812 ( 1.292 0.206 -12.548) 12.616 8.357 ( -12.374 6.666 10.667) 17.645 8.557 ( -8.240 5.300 -7.773) 12.506 8.747 ( 5.835 -6.866 5.715) 10.670 8.875 ( 6.277 -5.629 -5.701) 10.177 9.076 ( -1.328 -1.537 7.328) 7.604 9.214 ( -0.642 0.052 -5.776) 5.811 10.265 ( 3.543 2.503 2.577) 5.045 10.339 ( 2.886 2.439 -4.415) 5.811 10.437 ( -1.962 2.578 3.396) 4.693 10.502 ( -2.031 1.977 -3.225) 4.294 10.850 ( 0.114 -0.225 2.017) 2.033 10.905 ( -0.047 -1.352 -3.049) 3.336 11.028 ( -2.294 0.237 5.901) 6.336 11.154 ( -3.454 0.031 -6.069) 6.983 11.784 ( 3.402 1.710 4.503) 5.897 11.864 ( 3.103 1.545 -3.112) 4.658 11.950 ( -1.164 1.631 3.548) 4.075 12.010 ( -0.731 1.126 -2.147) 2.533 ======================= Grid point 346 (115/125) ======================= q-point: ( 0.44 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.388 ( 13.227 9.058 15.149) 22.057 4.534 ( 10.196 5.360 11.061) 15.970 4.604 ( 0.236 5.799 4.147) 7.133 4.760 ( -5.052 7.062 -1.532) 8.818 5.033 ( 5.701 1.686 -1.726) 6.190 5.128 ( 2.715 2.790 -4.747) 6.139 5.192 ( -7.098 2.545 -4.457) 8.759 5.307 ( -8.640 1.576 -8.835) 12.458 5.604 ( -0.516 -3.708 9.854) 10.542 5.766 ( 1.406 -1.587 4.467) 4.945 5.856 ( -3.014 -4.032 -9.307) 10.581 5.968 ( -1.609 -2.547 -9.617) 10.077 7.449 ( 1.482 -6.198 10.247) 12.067 7.491 ( -2.302 -5.852 10.213) 11.994 7.609 ( 9.016 1.879 5.495) 10.725 7.667 ( 6.018 -1.836 -0.326) 6.300 7.738 ( 1.949 -4.280 -5.058) 6.906 8.015 ( 8.855 6.931 -9.783) 14.905 8.047 ( -11.947 7.677 7.471) 16.047 8.324 ( -13.861 7.514 -12.924) 20.387 8.890 ( 7.176 -6.720 7.080) 12.115 9.011 ( 2.934 -4.323 -0.865) 5.296 9.017 ( -1.719 -4.405 4.090) 6.251 9.172 ( -3.078 -2.313 -6.939) 7.936 10.333 ( 3.076 2.790 2.728) 4.968 10.385 ( -0.722 2.798 1.442) 3.229 10.403 ( 1.012 2.775 -2.008) 3.572 10.454 ( -2.663 2.666 -3.458) 5.114 10.850 ( -0.085 0.110 2.003) 2.007 10.904 ( 0.010 -1.039 -3.014) 3.188 10.997 ( -0.798 0.323 4.700) 4.778 11.100 ( -1.498 -0.395 -5.148) 5.376 11.840 ( 1.848 1.878 4.472) 5.191 11.914 ( 1.494 1.531 -1.375) 2.543 11.928 ( -0.832 1.814 2.667) 3.331 11.995 ( -0.630 1.361 -2.565) 2.971 ======================= Grid point 351 (116/125) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 0.000 19.787 22.172) 29.717 4.042 ( 0.000 19.763 0.088) 19.763 4.225 ( 0.000 19.448 -2.149) 19.566 4.449 ( 0.000 16.329 -11.766) 20.126 5.218 ( 0.000 -7.555 13.082) 15.107 5.255 ( 0.000 -4.824 5.033) 6.972 5.423 ( 0.000 -2.291 5.993) 6.416 5.514 ( 0.000 -10.941 -0.254) 10.944 5.827 ( 0.000 -4.185 -4.730) 6.316 5.831 ( 0.000 -3.422 -6.425) 7.280 5.933 ( 0.000 0.622 -2.400) 2.479 5.940 ( 0.000 -1.492 -0.986) 1.788 6.974 ( 0.000 2.357 13.776) 13.976 7.274 ( 0.000 1.150 -11.521) 11.578 7.567 ( 0.000 1.340 -1.780) 2.228 7.585 ( 0.000 -4.086 -1.767) 4.452 7.951 ( 0.000 3.742 0.288) 3.753 7.963 ( 0.000 -1.165 0.413) 1.236 8.198 ( 0.000 -7.273 5.117) 8.892 8.339 ( 0.000 -8.841 -7.523) 11.608 8.928 ( 0.000 2.499 5.896) 6.404 9.045 ( 0.000 4.608 -5.134) 6.898 9.070 ( 0.000 1.337 5.189) 5.358 9.154 ( 0.000 1.577 -2.796) 3.210 10.148 ( 0.000 1.594 2.338) 2.830 10.241 ( 0.000 1.787 -6.160) 6.414 10.515 ( 0.000 0.418 0.894) 0.987 10.520 ( 0.000 -0.905 0.137) 0.915 10.831 ( 0.000 -0.304 3.423) 3.436 10.903 ( 0.000 0.948 -3.373) 3.504 11.133 ( 0.000 -1.674 7.128) 7.322 11.291 ( 0.000 -1.570 -7.841) 7.996 11.659 ( 0.000 2.057 5.095) 5.495 11.757 ( 0.000 2.456 -4.570) 5.188 12.021 ( 0.000 0.451 2.245) 2.290 12.048 ( 0.000 0.054 -0.289) 0.294 ======================= Grid point 352 (117/125) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.792 ( 9.220 18.041 20.506) 28.827 4.097 ( 5.241 19.008 2.964) 19.939 4.286 ( 5.964 16.903 -3.714) 18.305 4.499 ( 4.749 14.588 -11.666) 19.274 5.185 ( -2.323 -5.707 10.349) 12.044 5.270 ( 0.430 -4.056 3.560) 5.414 5.419 ( -0.578 -3.609 6.474) 7.435 5.503 ( -0.734 -10.203 0.245) 10.232 5.771 ( -3.227 -0.816 -0.514) 3.368 5.874 ( -1.189 -0.643 -8.759) 8.862 5.903 ( 0.066 -3.169 -0.561) 3.219 5.957 ( 1.283 -1.975 -3.764) 4.440 7.004 ( 3.254 3.035 15.354) 15.985 7.301 ( 2.293 -0.703 -8.926) 9.243 7.547 ( -1.699 0.667 -2.680) 3.242 7.566 ( -1.409 -1.370 -2.538) 3.210 7.900 ( -4.538 2.184 0.764) 5.094 7.942 ( -2.290 1.697 -2.361) 3.701 8.207 ( 1.693 -10.519 7.475) 13.015 8.383 ( 4.067 -8.925 -8.786) 13.168 8.891 ( -3.634 3.443 5.948) 7.775 9.002 ( -3.080 4.266 -3.383) 6.256 9.084 ( 0.434 1.468 4.501) 4.755 9.184 ( 2.203 1.130 -3.903) 4.622 10.173 ( 2.328 1.670 2.505) 3.806 10.265 ( 2.220 1.828 -5.985) 6.640 10.510 ( -0.115 0.518 1.835) 1.910 10.536 ( 0.933 -0.178 -0.816) 1.252 10.830 ( -0.033 -0.369 3.267) 3.287 10.900 ( -0.239 0.785 -3.373) 3.472 11.116 ( -1.641 -1.516 7.112) 7.454 11.271 ( -1.960 -1.503 -7.644) 8.033 11.685 ( 2.424 1.977 4.977) 5.879 11.780 ( 2.133 2.295 -4.341) 5.354 12.013 ( -0.721 0.525 2.480) 2.636 12.045 ( -0.269 0.208 -0.567) 0.661 ======================= Grid point 353 (118/125) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( 14.681 14.456 16.574) 26.442 4.239 ( 8.467 16.462 8.567) 20.398 4.450 ( 9.629 11.628 -5.577) 16.094 4.632 ( 8.104 10.119 -11.806) 17.534 5.135 ( -2.645 -1.998 7.927) 8.592 5.252 ( -2.274 -1.013 -1.810) 3.078 5.403 ( -1.001 -6.053 7.682) 9.832 5.483 ( -1.634 -7.898 0.240) 8.069 5.685 ( -5.101 1.688 2.971) 6.140 5.795 ( -4.776 0.001 -3.621) 5.994 5.905 ( -1.272 -3.839 -3.849) 5.583 5.989 ( 0.803 -2.554 -7.978) 8.415 7.124 ( 8.900 4.054 17.403) 19.963 7.334 ( 0.317 -4.943 1.099) 5.074 7.510 ( -1.510 -2.101 -2.580) 3.654 7.572 ( 2.224 4.700 -5.306) 7.429 7.791 ( -5.215 1.697 -1.103) 5.594 7.884 ( -2.528 3.632 -8.142) 9.266 8.284 ( 5.859 -12.673 9.894) 17.112 8.494 ( 6.553 -9.236 -9.825) 14.993 8.781 ( -7.046 5.046 7.380) 11.383 8.923 ( -4.967 5.254 -5.761) 9.245 9.078 ( -1.220 -0.523 7.090) 7.213 9.217 ( 0.543 0.044 -5.593) 5.620 10.236 ( 3.759 1.929 2.680) 5.003 10.322 ( 3.229 1.973 -5.317) 6.526 10.506 ( -0.400 1.539 2.604) 3.051 10.548 ( 0.131 0.685 -1.675) 1.814 10.834 ( 0.535 -0.391 2.691) 2.771 10.896 ( -0.154 0.407 -3.212) 3.241 11.070 ( -2.780 -1.325 6.710) 7.383 11.213 ( -3.706 -1.536 -6.969) 8.041 11.749 ( 3.685 1.943 4.771) 6.334 11.836 ( 3.238 2.059 -3.740) 5.358 11.996 ( -0.827 0.805 2.921) 3.141 12.039 ( -0.319 0.542 -1.121) 1.286 ======================= Grid point 354 (119/125) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( 14.950 11.936 12.045) 22.606 4.429 ( 10.318 11.697 12.137) 19.763 4.642 ( 8.271 7.600 -2.656) 11.542 4.812 ( 8.963 5.196 -12.630) 16.336 5.078 ( -2.710 2.803 6.003) 7.158 5.192 ( -3.086 1.379 -2.949) 4.486 5.361 ( -3.925 -3.397 4.349) 6.771 5.420 ( -4.498 -4.376 -0.657) 6.309 5.588 ( -4.010 -0.297 4.754) 6.227 5.712 ( -2.817 -2.223 -3.294) 4.871 5.849 ( -3.999 -4.430 -2.977) 6.669 5.962 ( -3.249 -3.097 -9.548) 10.551 7.286 ( 2.225 -5.341 9.440) 11.072 7.382 ( 6.558 -0.115 7.268) 9.790 7.511 ( 1.805 -1.605 3.856) 4.550 7.580 ( 0.979 3.544 5.390) 6.525 7.716 ( -3.395 -0.355 -6.569) 7.403 7.939 ( 9.744 10.162 -17.015) 22.084 8.407 ( 2.867 -6.552 10.903) 13.039 8.550 ( -4.665 -1.514 2.825) 5.660 8.701 ( 3.327 -1.473 -3.174) 4.829 8.809 ( -4.342 2.956 -8.000) 9.571 9.025 ( -4.267 -3.508 8.943) 10.511 9.194 ( -2.979 -2.004 -7.133) 7.985 10.316 ( 3.885 2.275 2.641) 5.219 10.388 ( 3.151 2.194 -4.205) 5.694 10.488 ( -1.476 2.249 2.930) 3.977 10.539 ( -1.131 1.516 -2.383) 3.042 10.851 ( 0.995 0.219 1.620) 1.914 10.894 ( -0.091 0.159 -2.397) 2.404 11.014 ( -2.402 -1.415 5.416) 6.091 11.131 ( -4.050 -1.965 -5.725) 7.283 11.825 ( 3.650 2.100 4.511) 6.171 11.902 ( 3.097 2.006 -2.876) 4.679 11.980 ( -0.833 1.174 3.207) 3.515 12.031 ( -0.462 0.865 -1.617) 1.891 ======================= Grid point 355 (120/125) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.585 ( 7.866 9.664 11.860) 17.203 4.661 ( 9.731 6.904 9.582) 15.303 4.738 ( 1.207 6.963 3.609) 7.934 4.897 ( -2.798 5.810 -5.535) 8.498 5.081 ( 4.546 2.950 2.150) 5.830 5.186 ( 3.238 2.833 -5.495) 6.979 5.230 ( -6.990 0.681 0.757) 7.063 5.323 ( -5.456 -0.147 -6.040) 8.141 5.524 ( -2.083 -3.277 6.267) 7.372 5.700 ( 1.658 -4.334 -3.332) 5.713 5.763 ( -4.079 -5.261 -2.880) 7.253 5.891 ( -2.602 -4.948 -8.467) 10.146 7.317 ( 2.400 -5.963 10.124) 11.992 7.386 ( -3.745 -4.249 10.174) 11.645 7.528 ( 1.689 -4.827 -9.581) 10.860 7.623 ( -3.171 -3.845 -11.808) 12.816 7.852 ( 17.972 11.887 18.589) 28.458 8.191 ( 3.546 10.032 -3.173) 11.103 8.227 ( -5.474 9.682 2.410) 11.381 8.468 ( -9.644 5.097 -8.589) 13.884 8.746 ( 6.404 -6.020 5.942) 10.610 8.900 ( 1.576 -6.579 0.035) 6.765 8.907 ( -1.023 -6.476 2.096) 6.883 9.098 ( -6.008 -4.950 -8.838) 11.778 10.388 ( 3.222 2.462 2.728) 4.887 10.441 ( -0.285 2.541 0.882) 2.705 10.455 ( 0.702 2.187 -1.305) 2.642 10.503 ( -2.282 2.057 -2.964) 4.269 10.863 ( 0.116 1.144 1.159) 1.633 10.898 ( 0.463 0.357 -1.972) 2.057 10.982 ( -0.800 -1.601 3.732) 4.139 11.066 ( -1.969 -2.753 -4.217) 5.407 11.887 ( 2.130 2.433 4.211) 5.310 11.951 ( 1.060 1.843 0.380) 2.160 11.963 ( -0.310 1.591 0.946) 1.877 12.019 ( -0.634 0.918 -2.049) 2.333 ======================= Grid point 360 (121/125) ======================= q-point: ( 0.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( 0.000 12.125 17.296) 21.123 4.348 ( 0.000 8.948 -9.579) 13.108 4.602 ( 0.000 16.497 7.955) 18.315 4.667 ( 0.000 3.396 6.373) 7.221 5.009 ( 0.000 -12.301 17.424) 21.329 5.163 ( 0.000 -0.516 0.858) 1.002 5.322 ( 0.000 -4.604 -10.807) 11.747 5.336 ( 0.000 -7.074 -13.814) 15.520 5.748 ( 0.000 -2.340 3.315) 4.058 5.833 ( 0.000 2.077 -4.538) 4.990 5.904 ( 0.000 -2.022 -0.071) 2.023 5.947 ( 0.000 0.351 -4.048) 4.064 7.074 ( 0.000 5.225 14.399) 15.318 7.278 ( 0.000 -0.329 -3.870) 3.884 7.541 ( 0.000 -0.133 5.938) 5.939 7.668 ( 0.000 6.510 -6.476) 9.183 7.795 ( 0.000 -9.400 7.027) 11.736 7.964 ( 0.000 -2.928 -9.024) 9.487 8.179 ( 0.000 1.347 -1.796) 2.245 8.192 ( 0.000 -3.691 -3.932) 5.392 8.957 ( 0.000 0.564 6.561) 6.586 9.096 ( 0.000 0.807 5.895) 5.950 9.100 ( 0.000 1.106 -7.515) 7.596 9.183 ( 0.000 0.970 -1.887) 2.122 10.172 ( 0.000 0.664 2.665) 2.747 10.268 ( 0.000 0.757 -6.043) 6.090 10.509 ( 0.000 -0.239 0.811) 0.845 10.523 ( 0.000 0.279 -0.334) 0.435 10.832 ( 0.000 0.191 4.618) 4.622 10.924 ( 0.000 0.792 -4.120) 4.195 11.097 ( 0.000 -1.336 7.423) 7.542 11.258 ( 0.000 -1.178 -7.919) 8.006 11.693 ( 0.000 1.011 5.621) 5.711 11.797 ( 0.000 1.168 -4.685) 4.829 12.025 ( 0.000 0.067 2.054) 2.055 12.046 ( 0.000 -0.119 0.096) 0.153 ======================= Grid point 361 (122/125) ======================= q-point: ( 0.11 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( 6.390 10.998 16.572) 20.890 4.400 ( 4.962 9.155 -8.312) 13.323 4.595 ( 0.227 10.395 8.441) 13.392 4.705 ( 2.916 6.604 2.274) 7.569 5.014 ( 0.577 -10.437 15.359) 18.578 5.181 ( 1.736 -2.445 3.650) 4.724 5.312 ( -0.357 -3.844 -13.099) 13.656 5.353 ( 0.476 -4.834 -9.042) 10.264 5.754 ( 0.556 -1.102 3.788) 3.984 5.851 ( -0.792 0.398 -1.344) 1.610 5.890 ( -0.781 -0.135 -4.779) 4.844 5.924 ( -1.037 -1.360 -4.941) 5.228 7.105 ( 3.114 4.613 13.960) 15.028 7.274 ( -0.417 -1.036 -1.893) 2.198 7.547 ( 0.352 2.685 5.347) 5.993 7.672 ( 0.252 6.267 -4.962) 7.998 7.791 ( -0.039 -10.204 6.778) 12.250 7.963 ( -0.110 0.440 -9.123) 9.135 8.098 ( -4.661 -2.162 1.557) 5.368 8.226 ( 1.597 -4.429 -8.891) 10.060 8.936 ( -2.181 0.948 6.806) 7.210 9.071 ( -1.841 2.594 -1.262) 3.423 9.101 ( -0.787 -0.239 0.851) 1.183 9.199 ( 1.199 0.396 -3.160) 3.403 10.198 ( 2.427 0.678 2.768) 3.743 10.292 ( 2.271 0.762 -5.904) 6.372 10.515 ( 0.656 0.102 1.373) 1.525 10.539 ( 1.223 0.222 -0.759) 1.456 10.829 ( -0.192 0.128 4.420) 4.426 10.919 ( -0.458 0.728 -4.097) 4.186 11.083 ( -1.384 -1.226 7.259) 7.490 11.239 ( -1.866 -1.134 -7.659) 7.965 11.717 ( 2.322 0.967 5.421) 5.976 11.817 ( 1.934 1.104 -4.445) 4.972 12.018 ( -0.609 0.076 2.402) 2.479 12.046 ( -0.029 -0.023 -0.261) 0.264 ======================= Grid point 362 (123/125) ======================= q-point: ( 0.22 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.290 ( 10.929 8.296 14.879) 20.240 4.533 ( 7.482 10.584 -1.847) 13.092 4.635 ( 4.195 4.563 3.694) 7.215 4.774 ( 3.926 4.668 -3.145) 6.862 5.038 ( 1.867 -6.873 12.577) 14.454 5.226 ( 2.334 -1.761 3.093) 4.257 5.299 ( -1.364 -1.620 -7.018) 7.330 5.345 ( -0.960 -4.747 -6.199) 7.866 5.725 ( -4.651 2.713 2.923) 6.127 5.798 ( -3.672 -2.345 1.568) 4.631 5.828 ( -3.548 -1.213 -5.559) 6.705 5.945 ( 0.465 -1.660 -10.066) 10.212 7.185 ( 3.072 0.676 9.631) 10.131 7.276 ( 2.022 -0.703 1.585) 2.663 7.551 ( -0.385 5.538 6.673) 8.680 7.665 ( -0.739 4.422 1.541) 4.741 7.789 ( -1.033 -4.209 1.697) 4.654 7.984 ( 3.865 4.197 -4.547) 7.296 8.060 ( 2.541 -4.899 -0.178) 5.522 8.290 ( 5.324 -9.393 -12.779) 16.729 8.864 ( -4.955 2.485 7.646) 9.444 9.015 ( -3.914 3.377 -3.705) 6.360 9.059 ( -3.652 -1.345 5.218) 6.509 9.207 ( -1.003 -0.648 -5.652) 5.777 10.265 ( 4.006 0.765 2.767) 4.929 10.351 ( 3.363 0.801 -5.283) 6.313 10.529 ( 0.391 0.599 2.061) 2.181 10.560 ( 0.664 0.387 -1.097) 1.340 10.831 ( 0.565 0.013 3.588) 3.632 10.909 ( -0.429 0.558 -3.855) 3.919 11.042 ( -2.643 -1.035 6.546) 7.135 11.181 ( -3.835 -1.115 -6.800) 7.886 11.780 ( 3.698 0.918 4.997) 6.284 11.870 ( 3.111 0.999 -3.823) 5.029 12.006 ( -0.548 0.187 2.960) 3.016 12.045 ( -0.018 0.156 -0.856) 0.870 ======================= Grid point 363 (124/125) ======================= q-point: ( 0.33 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( 12.041 5.293 13.185) 18.624 4.673 ( 6.461 9.549 8.123) 14.104 4.763 ( 7.141 4.051 -2.809) 8.678 4.869 ( 5.472 0.045 -7.092) 8.957 5.087 ( 2.861 -2.012 8.600) 9.284 5.235 ( -2.494 2.549 -2.024) 4.100 5.278 ( 0.227 -2.633 1.785) 3.189 5.321 ( -1.398 -4.538 -4.428) 6.493 5.602 ( -6.298 1.476 2.943) 7.107 5.701 ( -4.825 0.834 -2.797) 5.639 5.750 ( -4.979 -4.421 -2.178) 7.006 5.901 ( -4.688 -2.383 -10.979) 12.174 7.199 ( 0.183 -2.389 8.722) 9.046 7.362 ( 4.427 -0.975 -5.566) 7.179 7.471 ( -6.606 -1.105 8.909) 11.146 7.667 ( -3.235 0.753 -8.885) 9.485 7.826 ( 10.192 11.806 15.689) 22.122 8.144 ( 10.906 -2.515 3.965) 11.874 8.199 ( 9.991 1.332 -6.215) 11.841 8.431 ( 7.326 -10.086 -10.997) 16.623 8.742 ( -6.238 4.175 7.323) 10.486 8.908 ( -6.523 3.738 -5.230) 9.158 8.945 ( -7.650 -3.347 7.755) 11.396 9.143 ( -5.570 -2.372 -8.312) 10.283 10.349 ( 4.105 0.910 2.549) 4.917 10.420 ( 3.295 0.873 -4.200) 5.410 10.521 ( -1.233 0.919 2.626) 3.044 10.560 ( -0.705 0.565 -1.574) 1.815 10.856 ( 1.858 0.227 1.896) 2.664 10.904 ( -0.006 0.555 -2.723) 2.779 10.985 ( -2.698 -1.078 4.969) 5.756 11.092 ( -4.655 -1.343 -5.278) 7.164 11.858 ( 3.814 0.950 4.516) 5.987 11.935 ( 3.151 0.981 -2.978) 4.446 11.995 ( -0.613 0.336 3.319) 3.392 12.043 ( -0.276 0.317 -1.317) 1.382 ======================= Grid point 364 (125/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.737 ( 7.194 4.343 11.633) 14.351 4.790 ( 3.769 4.463 9.097) 10.811 4.869 ( 3.011 6.042 0.402) 6.763 4.955 ( 1.497 -0.972 -4.768) 5.091 5.145 ( 2.439 2.998 3.580) 5.267 5.203 ( -0.846 -2.081 2.531) 3.384 5.243 ( -0.830 1.533 -3.751) 4.136 5.302 ( -1.515 -1.196 -5.712) 6.029 5.504 ( -2.913 1.577 3.775) 5.022 5.616 ( -3.345 -5.516 4.658) 7.957 5.675 ( -0.789 -0.469 -10.355) 10.396 5.787 ( -5.087 -4.465 -9.846) 11.948 7.230 ( 3.147 -2.322 10.517) 11.221 7.326 ( -6.049 -1.559 10.933) 12.592 7.459 ( 4.408 -1.761 -11.596) 12.530 7.566 ( -5.372 -1.547 -12.458) 13.655 8.118 ( 15.750 13.616 16.783) 26.741 8.349 ( 2.594 -2.795 12.353) 12.928 8.404 ( 7.675 6.691 -6.397) 12.025 8.449 ( -1.968 0.594 3.842) 4.358 8.733 ( 0.933 -0.596 -5.984) 6.086 8.763 ( -7.330 -5.698 8.069) 12.300 8.789 ( 0.060 -0.592 -8.715) 8.735 8.984 ( -9.652 -5.437 -10.625) 15.349 10.424 ( 3.269 0.976 2.588) 4.282 10.480 ( 0.250 1.154 -0.105) 1.186 10.485 ( 0.122 0.673 -0.320) 0.755 10.532 ( -2.005 0.742 -2.454) 3.255 10.891 ( 0.882 1.420 0.840) 1.870 10.916 ( 1.549 1.240 -1.392) 2.424 10.943 ( -1.201 -1.806 2.560) 3.355 11.007 ( -3.305 -2.407 -3.307) 5.258 11.926 ( 2.717 1.174 4.054) 5.020 11.975 ( -1.215 0.467 3.570) 3.800 11.992 ( 2.019 0.965 -2.170) 3.118 12.031 ( -1.000 0.246 -1.725) 2.009 =================== 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 3/26244 10.0 22691.263 22322.724 26815.970 0.000 0.000 0.000 3/26244 20.0 10028.765 10149.975 10360.729 0.000 0.000 0.000 3/26244 30.0 4081.673 4126.439 4072.767 0.000 0.000 0.000 3/26244 40.0 1818.712 1823.442 1827.849 0.000 0.000 0.000 3/26244 50.0 920.315 916.873 936.095 0.000 0.000 0.000 3/26244 60.0 531.905 526.816 546.416 0.000 0.000 0.000 3/26244 70.0 343.983 338.746 356.188 0.000 0.000 0.000 3/26244 80.0 242.797 237.794 253.060 0.000 0.000 0.000 3/26244 90.0 183.124 178.432 191.906 0.000 0.000 0.000 3/26244 100.0 145.201 140.812 152.857 0.000 0.000 0.000 3/26244 110.0 119.584 115.471 126.372 0.000 0.000 0.000 3/26244 120.0 101.396 97.531 107.498 0.000 0.000 0.000 3/26244 130.0 87.943 84.299 93.492 0.000 0.000 0.000 3/26244 140.0 77.650 74.205 82.745 0.000 0.000 0.000 3/26244 150.0 69.549 66.283 74.264 0.000 0.000 0.000 3/26244 160.0 63.021 59.917 67.413 0.000 0.000 0.000 3/26244 170.0 57.654 54.697 61.768 0.000 0.000 0.000 3/26244 180.0 53.165 50.342 57.037 0.000 0.000 0.000 3/26244 190.0 49.356 46.656 53.014 0.000 0.000 0.000 3/26244 200.0 46.082 43.495 49.551 0.000 0.000 0.000 3/26244 210.0 43.237 40.755 46.537 0.000 0.000 0.000 3/26244 220.0 40.740 38.355 43.889 0.000 0.000 0.000 3/26244 230.0 38.531 36.236 41.542 0.000 0.000 0.000 3/26244 240.0 36.562 34.350 39.447 0.000 0.000 0.000 3/26244 250.0 34.795 32.660 37.564 0.000 0.000 0.000 3/26244 260.0 33.199 31.137 35.863 0.000 0.000 0.000 3/26244 270.0 31.750 29.756 34.317 0.000 0.000 0.000 3/26244 280.0 30.429 28.498 32.905 0.000 0.000 0.000 3/26244 290.0 29.219 27.348 31.611 0.000 0.000 0.000 3/26244 300.0 28.105 26.290 30.419 0.000 0.000 0.000 3/26244 310.0 27.077 25.316 29.318 0.000 0.000 0.000 3/26244 320.0 26.125 24.414 28.298 0.000 0.000 0.000 3/26244 330.0 25.241 23.576 27.349 0.000 0.000 0.000 3/26244 340.0 24.416 22.797 26.464 0.000 0.000 0.000 3/26244 350.0 23.646 22.070 25.637 0.000 0.000 0.000 3/26244 360.0 22.925 21.389 24.862 0.000 0.000 0.000 3/26244 370.0 22.248 20.750 24.134 0.000 0.000 0.000 3/26244 380.0 21.612 20.150 23.450 0.000 0.000 0.000 3/26244 390.0 21.012 19.585 22.804 0.000 0.000 0.000 3/26244 400.0 20.446 19.052 22.194 0.000 0.000 0.000 3/26244 410.0 19.910 18.548 21.617 0.000 0.000 0.000 3/26244 420.0 19.402 18.071 21.070 0.000 0.000 0.000 3/26244 430.0 18.921 17.619 20.551 0.000 0.000 0.000 3/26244 440.0 18.463 17.189 20.057 0.000 0.000 0.000 3/26244 450.0 18.028 16.780 19.587 0.000 0.000 0.000 3/26244 460.0 17.613 16.391 19.140 0.000 0.000 0.000 3/26244 470.0 17.218 16.020 18.713 0.000 0.000 0.000 3/26244 480.0 16.840 15.666 18.305 0.000 0.000 0.000 3/26244 490.0 16.479 15.328 17.915 0.000 0.000 0.000 3/26244 500.0 16.133 15.004 17.541 0.000 0.000 0.000 3/26244 510.0 15.802 14.694 17.183 0.000 0.000 0.000 3/26244 520.0 15.485 14.397 16.840 0.000 0.000 0.000 3/26244 530.0 15.180 14.111 16.510 0.000 0.000 0.000 3/26244 540.0 14.887 13.838 16.194 0.000 0.000 0.000 3/26244 550.0 14.606 13.574 15.889 0.000 0.000 0.000 3/26244 560.0 14.335 13.321 15.596 0.000 0.000 0.000 3/26244 570.0 14.074 13.078 15.314 0.000 0.000 0.000 3/26244 580.0 13.823 12.843 15.042 0.000 0.000 0.000 3/26244 590.0 13.581 12.616 14.780 0.000 0.000 0.000 3/26244 600.0 13.347 12.398 14.527 0.000 0.000 0.000 3/26244 610.0 13.121 12.187 14.282 0.000 0.000 0.000 3/26244 620.0 12.903 11.984 14.046 0.000 0.000 0.000 3/26244 630.0 12.692 11.787 13.817 0.000 0.000 0.000 3/26244 640.0 12.488 11.597 13.596 0.000 0.000 0.000 3/26244 650.0 12.291 11.412 13.382 0.000 0.000 0.000 3/26244 660.0 12.100 11.234 13.175 0.000 0.000 0.000 3/26244 670.0 11.915 11.061 12.974 0.000 0.000 0.000 3/26244 680.0 11.735 10.894 12.779 0.000 0.000 0.000 3/26244 690.0 11.561 10.731 12.590 0.000 0.000 0.000 3/26244 700.0 11.392 10.574 12.407 0.000 0.000 0.000 3/26244 710.0 11.228 10.421 12.229 0.000 0.000 0.000 3/26244 720.0 11.068 10.272 12.056 0.000 0.000 0.000 3/26244 730.0 10.913 10.128 11.888 0.000 0.000 0.000 3/26244 740.0 10.763 9.988 11.725 0.000 0.000 0.000 3/26244 750.0 10.617 9.851 11.566 0.000 0.000 0.000 3/26244 760.0 10.474 9.719 11.411 0.000 0.000 0.000 3/26244 770.0 10.336 9.590 11.261 0.000 0.000 0.000 3/26244 780.0 10.201 9.464 11.114 0.000 0.000 0.000 3/26244 790.0 10.069 9.342 10.972 0.000 0.000 0.000 3/26244 800.0 9.941 9.222 10.832 0.000 0.000 0.000 3/26244 810.0 9.816 9.106 10.697 0.000 0.000 0.000 3/26244 820.0 9.695 8.993 10.565 0.000 0.000 0.000 3/26244 830.0 9.576 8.883 10.436 0.000 0.000 0.000 3/26244 840.0 9.460 8.775 10.310 0.000 0.000 0.000 3/26244 850.0 9.347 8.670 10.187 0.000 0.000 0.000 3/26244 860.0 9.237 8.567 10.068 0.000 0.000 0.000 3/26244 870.0 9.129 8.467 9.950 0.000 0.000 0.000 3/26244 880.0 9.024 8.369 9.836 0.000 0.000 0.000 3/26244 890.0 8.921 8.273 9.724 0.000 0.000 0.000 3/26244 900.0 8.821 8.180 9.615 0.000 0.000 0.000 3/26244 910.0 8.723 8.089 9.509 0.000 0.000 0.000 3/26244 920.0 8.627 7.999 9.404 0.000 0.000 0.000 3/26244 930.0 8.533 7.912 9.302 0.000 0.000 0.000 3/26244 940.0 8.441 7.827 9.202 0.000 0.000 0.000 3/26244 950.0 8.351 7.743 9.105 0.000 0.000 0.000 3/26244 960.0 8.263 7.661 9.009 0.000 0.000 0.000 3/26244 970.0 8.177 7.581 8.915 0.000 0.000 0.000 3/26244 980.0 8.092 7.503 8.823 0.000 0.000 0.000 3/26244 990.0 8.010 7.426 8.734 0.000 0.000 0.000 3/26244 1000.0 7.929 7.351 8.646 0.000 0.000 0.000 3/26244 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:22:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|