----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:35:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.594240403777075 0.000000000000000 0.000000000000000 b -2.797120201888537 4.844754304548262 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755921780000000 Atomic positions (fractional): *1 Al 0.83427523839339 0.66855047678678 0.86580794608653 26.982 2 Al 0.33144952321322 0.16572476160661 0.86580794608653 26.982 3 Al 0.83427523839339 0.16572476160661 0.86580794608653 26.982 4 Al 0.16572476160661 0.33144952321322 0.36580794608653 26.982 5 Al 0.66855047678678 0.83427523839339 0.36580794608653 26.982 6 Al 0.16572476160661 0.83427523839339 0.36580794608653 26.982 *7 Al 0.33333333333333 0.66666666666667 0.65843938919118 26.982 8 Al 0.66666666666667 0.33333333333333 0.15843938919118 26.982 *9 Al 0.66666666666667 0.33333333333333 0.54622885316408 26.982 10 Al 0.33333333333333 0.66666666666667 0.04622885316408 26.982 *11 H 0.00000000000000 0.00000000000000 0.59968708574093 1.008 12 H 0.00000000000000 0.00000000000000 0.09968708574093 1.008 *13 O 0.00000000000000 0.00000000000000 0.48572401325403 15.999 14 O 0.00000000000000 0.00000000000000 0.98572401325403 15.999 *15 O 0.48507270422224 0.97014540844448 0.50109308744102 15.999 16 O 0.02985459155553 0.51492729577776 0.50109308744102 15.999 17 O 0.48507270422224 0.51492729577776 0.50109308744102 15.999 18 O 0.51492729577776 0.02985459155553 0.00109308744102 15.999 19 O 0.97014540844448 0.48507270422224 0.00109308744102 15.999 20 O 0.51492729577776 0.48507270422224 0.00109308744102 15.999 *21 O 0.16586470852631 0.83413529147369 0.76243240739309 15.999 22 O 0.16586470852631 0.33172941705263 0.76243240739309 15.999 23 O 0.66827058294737 0.83413529147369 0.76243240739309 15.999 24 O 0.83413529147369 0.16586470852631 0.26243240739309 15.999 25 O 0.83413529147369 0.66827058294737 0.26243240739309 15.999 26 O 0.33172941705263 0.16586470852631 0.26243240739309 15.999 *27 O 0.66666666666667 0.33333333333333 0.75399015588787 15.999 28 O 0.33333333333333 0.66666666666667 0.25399015588787 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.594240403777075 0.000000000000000 0.000000000000000 b -2.797120201888537 4.844754304548262 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755921780000000 Atomic positions (fractional): *1 Al 0.83427523839339 0.66855047678678 0.86580794608653 26.982 > 1 2 Al 0.33144952321322 0.16572476160661 0.86580794608653 26.982 > 2 3 Al 0.83427523839339 0.16572476160661 0.86580794608653 26.982 > 3 4 Al 0.16572476160661 0.33144952321322 0.36580794608653 26.982 > 4 5 Al 0.66855047678678 0.83427523839339 0.36580794608653 26.982 > 5 6 Al 0.16572476160661 0.83427523839339 0.36580794608653 26.982 > 6 *7 Al 0.33333333333333 0.66666666666667 0.65843938919118 26.982 > 7 8 Al 0.66666666666667 0.33333333333333 0.15843938919118 26.982 > 8 *9 Al 0.66666666666667 0.33333333333333 0.54622885316408 26.982 > 9 10 Al 0.33333333333333 0.66666666666667 0.04622885316408 26.982 > 10 *11 H 0.00000000000000 0.00000000000000 0.59968708574093 1.008 > 11 12 H 0.00000000000000 0.00000000000000 0.09968708574093 1.008 > 12 *13 O 0.00000000000000 0.00000000000000 0.48572401325403 15.999 > 13 14 O 0.00000000000000 0.00000000000000 0.98572401325403 15.999 > 14 *15 O 0.48507270422224 0.97014540844448 0.50109308744102 15.999 > 15 16 O 0.02985459155553 0.51492729577776 0.50109308744102 15.999 > 16 17 O 0.48507270422224 0.51492729577776 0.50109308744102 15.999 > 17 18 O 0.51492729577776 0.02985459155553 0.00109308744102 15.999 > 18 19 O 0.97014540844448 0.48507270422224 0.00109308744102 15.999 > 19 20 O 0.51492729577776 0.48507270422224 0.00109308744102 15.999 > 20 *21 O 0.16586470852631 0.83413529147369 0.76243240739309 15.999 > 21 22 O 0.16586470852631 0.33172941705263 0.76243240739309 15.999 > 22 23 O 0.66827058294737 0.83413529147369 0.76243240739309 15.999 > 23 24 O 0.83413529147369 0.16586470852631 0.26243240739309 15.999 > 24 25 O 0.83413529147369 0.66827058294737 0.26243240739309 15.999 > 25 26 O 0.33172941705263 0.16586470852631 0.26243240739309 15.999 > 26 *27 O 0.66666666666667 0.33333333333333 0.75399015588787 15.999 > 27 28 O 0.33333333333333 0.66666666666667 0.25399015588787 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.188480807554150 0.000000000000000 0.000000000000000 b -5.594240403777074 9.689508609096524 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755921780000000 Atomic positions (fractional): *1 Al 0.41713761919670 0.33427523839339 0.86580794608653 26.982 > 1 2 Al 0.91713761919670 0.33427523839339 0.86580794608653 26.982 > 1 3 Al 0.41713761919670 0.83427523839339 0.86580794608653 26.982 > 1 4 Al 0.91713761919670 0.83427523839339 0.86580794608653 26.982 > 1 5 Al 0.16572476160661 0.08286238080331 0.86580794608653 26.982 > 2 6 Al 0.66572476160661 0.08286238080331 0.86580794608653 26.982 > 2 7 Al 0.16572476160661 0.58286238080330 0.86580794608653 26.982 > 2 8 Al 0.66572476160661 0.58286238080330 0.86580794608653 26.982 > 2 9 Al 0.41713761919670 0.08286238080331 0.86580794608653 26.982 > 3 10 Al 0.91713761919670 0.08286238080331 0.86580794608653 26.982 > 3 11 Al 0.41713761919670 0.58286238080330 0.86580794608653 26.982 > 3 12 Al 0.91713761919670 0.58286238080330 0.86580794608653 26.982 > 3 13 Al 0.08286238080331 0.16572476160661 0.36580794608653 26.982 > 4 14 Al 0.58286238080330 0.16572476160661 0.36580794608653 26.982 > 4 15 Al 0.08286238080331 0.66572476160661 0.36580794608653 26.982 > 4 16 Al 0.58286238080330 0.66572476160661 0.36580794608653 26.982 > 4 17 Al 0.33427523839339 0.41713761919670 0.36580794608653 26.982 > 5 18 Al 0.83427523839339 0.41713761919670 0.36580794608653 26.982 > 5 19 Al 0.33427523839339 0.91713761919670 0.36580794608653 26.982 > 5 20 Al 0.83427523839339 0.91713761919670 0.36580794608653 26.982 > 5 21 Al 0.08286238080331 0.41713761919670 0.36580794608653 26.982 > 6 22 Al 0.58286238080330 0.41713761919670 0.36580794608653 26.982 > 6 23 Al 0.08286238080331 0.91713761919670 0.36580794608653 26.982 > 6 24 Al 0.58286238080330 0.91713761919670 0.36580794608653 26.982 > 6 *25 Al 0.16666666666667 0.33333333333333 0.65843938919118 26.982 > 7 26 Al 0.66666666666667 0.33333333333333 0.65843938919118 26.982 > 7 27 Al 0.16666666666667 0.83333333333333 0.65843938919118 26.982 > 7 28 Al 0.66666666666667 0.83333333333333 0.65843938919118 26.982 > 7 29 Al 0.33333333333333 0.16666666666667 0.15843938919118 26.982 > 8 30 Al 0.83333333333333 0.16666666666667 0.15843938919118 26.982 > 8 31 Al 0.33333333333333 0.66666666666667 0.15843938919118 26.982 > 8 32 Al 0.83333333333333 0.66666666666667 0.15843938919118 26.982 > 8 *33 Al 0.33333333333333 0.16666666666667 0.54622885316408 26.982 > 9 34 Al 0.83333333333333 0.16666666666667 0.54622885316408 26.982 > 9 35 Al 0.33333333333333 0.66666666666667 0.54622885316408 26.982 > 9 36 Al 0.83333333333333 0.66666666666667 0.54622885316408 26.982 > 9 37 Al 0.16666666666667 0.33333333333333 0.04622885316408 26.982 > 10 38 Al 0.66666666666667 0.33333333333333 0.04622885316408 26.982 > 10 39 Al 0.16666666666667 0.83333333333333 0.04622885316408 26.982 > 10 40 Al 0.66666666666667 0.83333333333333 0.04622885316408 26.982 > 10 *41 H 0.00000000000000 0.00000000000000 0.59968708574093 1.008 > 11 42 H 0.50000000000000 0.00000000000000 0.59968708574093 1.008 > 11 43 H 0.00000000000000 0.50000000000000 0.59968708574093 1.008 > 11 44 H 0.50000000000000 0.50000000000000 0.59968708574093 1.008 > 11 45 H 0.00000000000000 0.00000000000000 0.09968708574093 1.008 > 12 46 H 0.50000000000000 0.00000000000000 0.09968708574093 1.008 > 12 47 H 0.00000000000000 0.50000000000000 0.09968708574093 1.008 > 12 48 H 0.50000000000000 0.50000000000000 0.09968708574093 1.008 > 12 *49 O 0.00000000000000 0.00000000000000 0.48572401325403 15.999 > 13 50 O 0.50000000000000 0.00000000000000 0.48572401325403 15.999 > 13 51 O 0.00000000000000 0.50000000000000 0.48572401325403 15.999 > 13 52 O 0.50000000000000 0.50000000000000 0.48572401325403 15.999 > 13 53 O 0.00000000000000 0.00000000000000 0.98572401325403 15.999 > 14 54 O 0.50000000000000 0.00000000000000 0.98572401325403 15.999 > 14 55 O 0.00000000000000 0.50000000000000 0.98572401325403 15.999 > 14 56 O 0.50000000000000 0.50000000000000 0.98572401325403 15.999 > 14 *57 O 0.24253635211112 0.48507270422224 0.50109308744102 15.999 > 15 58 O 0.74253635211112 0.48507270422224 0.50109308744102 15.999 > 15 59 O 0.24253635211112 0.98507270422224 0.50109308744102 15.999 > 15 60 O 0.74253635211112 0.98507270422224 0.50109308744102 15.999 > 15 61 O 0.01492729577776 0.25746364788888 0.50109308744102 15.999 > 16 62 O 0.51492729577776 0.25746364788888 0.50109308744102 15.999 > 16 63 O 0.01492729577776 0.75746364788888 0.50109308744102 15.999 > 16 64 O 0.51492729577776 0.75746364788888 0.50109308744102 15.999 > 16 65 O 0.24253635211112 0.25746364788888 0.50109308744102 15.999 > 17 66 O 0.74253635211112 0.25746364788888 0.50109308744102 15.999 > 17 67 O 0.24253635211112 0.75746364788888 0.50109308744102 15.999 > 17 68 O 0.74253635211112 0.75746364788888 0.50109308744102 15.999 > 17 69 O 0.25746364788888 0.01492729577776 0.00109308744102 15.999 > 18 70 O 0.75746364788888 0.01492729577776 0.00109308744102 15.999 > 18 71 O 0.25746364788888 0.51492729577776 0.00109308744102 15.999 > 18 72 O 0.75746364788888 0.51492729577776 0.00109308744102 15.999 > 18 73 O 0.48507270422224 0.24253635211112 0.00109308744102 15.999 > 19 74 O 0.98507270422224 0.24253635211112 0.00109308744102 15.999 > 19 75 O 0.48507270422224 0.74253635211112 0.00109308744102 15.999 > 19 76 O 0.98507270422224 0.74253635211112 0.00109308744102 15.999 > 19 77 O 0.25746364788888 0.24253635211112 0.00109308744102 15.999 > 20 78 O 0.75746364788888 0.24253635211112 0.00109308744102 15.999 > 20 79 O 0.25746364788888 0.74253635211112 0.00109308744102 15.999 > 20 80 O 0.75746364788888 0.74253635211112 0.00109308744102 15.999 > 20 *81 O 0.08293235426316 0.41706764573684 0.76243240739309 15.999 > 21 82 O 0.58293235426316 0.41706764573684 0.76243240739309 15.999 > 21 83 O 0.08293235426316 0.91706764573684 0.76243240739309 15.999 > 21 84 O 0.58293235426316 0.91706764573684 0.76243240739309 15.999 > 21 85 O 0.08293235426316 0.16586470852631 0.76243240739309 15.999 > 22 86 O 0.58293235426316 0.16586470852631 0.76243240739309 15.999 > 22 87 O 0.08293235426316 0.66586470852631 0.76243240739309 15.999 > 22 88 O 0.58293235426316 0.66586470852631 0.76243240739309 15.999 > 22 89 O 0.33413529147368 0.41706764573684 0.76243240739309 15.999 > 23 90 O 0.83413529147369 0.41706764573684 0.76243240739309 15.999 > 23 91 O 0.33413529147368 0.91706764573684 0.76243240739309 15.999 > 23 92 O 0.83413529147369 0.91706764573684 0.76243240739309 15.999 > 23 93 O 0.41706764573684 0.08293235426316 0.26243240739309 15.999 > 24 94 O 0.91706764573684 0.08293235426316 0.26243240739309 15.999 > 24 95 O 0.41706764573684 0.58293235426316 0.26243240739309 15.999 > 24 96 O 0.91706764573684 0.58293235426316 0.26243240739309 15.999 > 24 97 O 0.41706764573684 0.33413529147368 0.26243240739309 15.999 > 25 98 O 0.91706764573684 0.33413529147368 0.26243240739309 15.999 > 25 99 O 0.41706764573684 0.83413529147369 0.26243240739309 15.999 > 25 100 O 0.91706764573684 0.83413529147369 0.26243240739309 15.999 > 25 101 O 0.16586470852631 0.08293235426316 0.26243240739309 15.999 > 26 102 O 0.66586470852631 0.08293235426316 0.26243240739309 15.999 > 26 103 O 0.16586470852631 0.58293235426316 0.26243240739309 15.999 > 26 104 O 0.66586470852631 0.58293235426316 0.26243240739309 15.999 > 26 *105 O 0.33333333333333 0.16666666666667 0.75399015588787 15.999 > 27 106 O 0.83333333333333 0.16666666666667 0.75399015588787 15.999 > 27 107 O 0.33333333333333 0.66666666666667 0.75399015588787 15.999 > 27 108 O 0.83333333333333 0.66666666666667 0.75399015588787 15.999 > 27 109 O 0.16666666666667 0.33333333333333 0.25399015588787 15.999 > 28 110 O 0.66666666666667 0.33333333333333 0.25399015588787 15.999 > 28 111 O 0.16666666666667 0.83333333333333 0.25399015588787 15.999 > 28 112 O 0.66666666666667 0.83333333333333 0.25399015588787 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2287209 0.0000000 0.0000000 0.0000000 3.2287209 0.0000000 0.0000000 0.0000000 3.1994378 -------------------------- Born effective charges -------------------------- 1 Al 2.9301115 0.0000000 -0.0000000 0.0000000 2.9974689 -0.0663863 0.0000000 -0.0940000 2.6022477 2 Al 2.9806296 0.0291666 0.0574922 0.0291666 2.9469509 0.0331932 0.0814064 0.0470000 2.6022477 3 Al 2.9806296 -0.0291666 -0.0574922 -0.0291666 2.9469509 0.0331932 -0.0814064 0.0470000 2.6022477 4 Al 2.9301115 0.0000000 0.0000000 0.0000000 2.9974689 0.0663863 -0.0000000 0.0940000 2.6022477 5 Al 2.9806296 0.0291666 -0.0574922 0.0291666 2.9469509 -0.0331932 -0.0814064 -0.0470000 2.6022477 6 Al 2.9806296 -0.0291666 0.0574922 -0.0291666 2.9469509 -0.0331932 0.0814064 -0.0470000 2.6022477 7 Al 2.9455244 0.0000000 0.0000000 0.0000000 2.9455244 0.0000000 0.0000000 0.0000000 3.1717673 8 Al 2.9455244 0.0000000 0.0000000 0.0000000 2.9455244 0.0000000 0.0000000 0.0000000 3.1717673 9 Al 2.8539347 0.0000000 0.0000000 0.0000000 2.8539347 0.0000000 0.0000000 0.0000000 3.1366377 10 Al 2.8539347 0.0000000 0.0000000 0.0000000 2.8539347 0.0000000 0.0000000 0.0000000 3.1366377 11 H 0.5909008 0.0000000 0.0000000 0.0000000 0.5909008 0.0000000 0.0000000 0.0000000 1.1154496 12 H 0.5909008 0.0000000 0.0000000 0.0000000 0.5909008 0.0000000 0.0000000 0.0000000 1.1154496 13 O -1.5797661 -0.0000000 0.0000000 0.0000000 -1.5797661 0.0000000 0.0000000 0.0000000 -1.9355977 14 O -1.5797661 -0.0000000 0.0000000 0.0000000 -1.5797661 0.0000000 0.0000000 0.0000000 -1.9355977 15 O -1.7769825 -0.0000000 -0.0000000 0.0000000 -2.1190401 -0.0470669 -0.0000000 -0.0240957 -1.9146436 16 O -2.0335257 -0.1481153 0.0407611 -0.1481153 -1.8624969 0.0235334 0.0208675 0.0120479 -1.9146436 17 O -2.0335257 0.1481153 -0.0407611 0.1481153 -1.8624969 0.0235334 -0.0208675 0.0120479 -1.9146436 18 O -1.7769825 -0.0000000 0.0000000 0.0000000 -2.1190401 0.0470669 0.0000000 0.0240957 -1.9146436 19 O -2.0335257 -0.1481153 -0.0407611 -0.1481153 -1.8624969 -0.0235334 -0.0208675 -0.0120479 -1.9146436 20 O -2.0335257 0.1481153 0.0407611 0.1481153 -1.8624969 -0.0235334 0.0208675 -0.0120479 -1.9146436 21 O -2.0418590 0.0629998 0.2026768 0.0629998 -1.9691131 -0.1170155 0.2442193 -0.1410001 -1.8005511 22 O -1.9327401 -0.0000000 0.0000000 0.0000000 -2.0782319 0.2340310 0.0000000 0.2820002 -1.8005511 23 O -2.0418590 -0.0629998 -0.2026768 -0.0629998 -1.9691131 -0.1170155 -0.2442193 -0.1410001 -1.8005511 24 O -2.0418590 0.0629998 -0.2026768 0.0629998 -1.9691131 0.1170155 -0.2442193 0.1410001 -1.8005511 25 O -1.9327401 -0.0000000 -0.0000000 0.0000000 -2.0782319 -0.2340310 -0.0000000 -0.2820002 -1.8005511 26 O -2.0418590 -0.0629998 0.2026768 -0.0629998 -1.9691131 0.1170155 0.2442193 0.1410001 -1.8005511 27 O -1.8414725 -0.0000000 0.0000000 0.0000000 -1.8414725 0.0000000 0.0000000 0.0000000 -2.1494161 28 O -1.8414725 -0.0000000 0.0000000 0.0000000 -1.8414725 0.0000000 0.0000000 0.0000000 -2.1494161 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1310 Number of blocks in projector: 912 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 506 Use submatrix version of eigh solver. (1) Block: 506 / 506 (2) Block: 250 / 506 (2) 244 eigenvectors found. (2) Block: 506 / 506 (2) 250 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 500 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 228 Use standard eigh solver. Tree of FC basis block matrices: - (1310, 1285), data: False |-- (228, 220), data: True |-- (506, 500), data: False |-- (506, 500), data: False |-- (506, 6), data: (506, 12) @ (12, 6) |-- (256, 250), data: True |-- (250, 244), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 17), data: (576, 28) @ (28, 17) |-- (76, 70), data: True |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 1.596 Solver_block: 200 / 320 - Time: 1.569 Solver_block: 300 / 320 - Time: 1.564 Solver_block: 320 / 320 - Time: 0.386 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.147 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1310 Number of blocks in projector: 912 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 506 Use submatrix version of eigh solver. (1) Block: 506 / 506 (2) Block: 250 / 506 (2) 244 eigenvectors found. (2) Block: 506 / 506 (2) 250 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 500 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 228 Use standard eigh solver. Tree of FC basis block matrices: - (1310, 1285), data: False |-- (228, 220), data: True |-- (506, 500), data: False |-- (506, 500), data: False |-- (506, 6), data: (506, 12) @ (12, 6) |-- (256, 250), data: True |-- (250, 244), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 17), data: (576, 28) @ (28, 17) |-- (76, 70), data: True |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:35:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:35:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.594240403777075 0.000000000000000 0.000000000000000 b -2.797120201888537 4.844754304548262 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755921780000000 Atomic positions (fractional): 1 Al 0.83427523839339 0.66855047678678 0.86580794608653 26.982 2 Al 0.33144952321322 0.16572476160661 0.86580794608653 26.982 3 Al 0.83427523839339 0.16572476160661 0.86580794608653 26.982 4 Al 0.16572476160661 0.33144952321322 0.36580794608653 26.982 5 Al 0.66855047678678 0.83427523839339 0.36580794608653 26.982 6 Al 0.16572476160661 0.83427523839339 0.36580794608653 26.982 7 Al 0.33333333333333 0.66666666666667 0.65843938919118 26.982 8 Al 0.66666666666667 0.33333333333333 0.15843938919118 26.982 9 Al 0.66666666666667 0.33333333333333 0.54622885316408 26.982 10 Al 0.33333333333333 0.66666666666667 0.04622885316408 26.982 11 H 0.00000000000000 0.00000000000000 0.59968708574093 1.008 12 H 0.00000000000000 0.00000000000000 0.09968708574093 1.008 13 O 0.00000000000000 0.00000000000000 0.48572401325403 15.999 14 O 0.00000000000000 0.00000000000000 0.98572401325403 15.999 15 O 0.48507270422224 0.97014540844448 0.50109308744102 15.999 16 O 0.02985459155553 0.51492729577776 0.50109308744102 15.999 17 O 0.48507270422224 0.51492729577776 0.50109308744102 15.999 18 O 0.51492729577776 0.02985459155553 0.00109308744102 15.999 19 O 0.97014540844448 0.48507270422224 0.00109308744102 15.999 20 O 0.51492729577776 0.48507270422224 0.00109308744102 15.999 21 O 0.16586470852631 0.83413529147369 0.76243240739309 15.999 22 O 0.16586470852631 0.33172941705263 0.76243240739309 15.999 23 O 0.66827058294737 0.83413529147369 0.76243240739309 15.999 24 O 0.83413529147369 0.16586470852631 0.26243240739309 15.999 25 O 0.83413529147369 0.66827058294737 0.26243240739309 15.999 26 O 0.33172941705263 0.16586470852631 0.26243240739309 15.999 27 O 0.66666666666667 0.33333333333333 0.75399015588787 15.999 28 O 0.33333333333333 0.66666666666667 0.25399015588787 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.188480807554150 0.000000000000000 0.000000000000000 b -5.594240403777074 9.689508609096524 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755921780000000 Atomic positions (fractional): 1 Al 0.41713761919670 0.33427523839339 0.86580794608653 26.982 > 1 2 Al 0.91713761919670 0.33427523839339 0.86580794608653 26.982 > 1 3 Al 0.41713761919670 0.83427523839339 0.86580794608653 26.982 > 1 4 Al 0.91713761919670 0.83427523839339 0.86580794608653 26.982 > 1 5 Al 0.16572476160661 0.08286238080331 0.86580794608653 26.982 > 5 6 Al 0.66572476160661 0.08286238080331 0.86580794608653 26.982 > 5 7 Al 0.16572476160661 0.58286238080330 0.86580794608653 26.982 > 5 8 Al 0.66572476160661 0.58286238080330 0.86580794608653 26.982 > 5 9 Al 0.41713761919670 0.08286238080331 0.86580794608653 26.982 > 9 10 Al 0.91713761919670 0.08286238080331 0.86580794608653 26.982 > 9 11 Al 0.41713761919670 0.58286238080330 0.86580794608653 26.982 > 9 12 Al 0.91713761919670 0.58286238080330 0.86580794608653 26.982 > 9 13 Al 0.08286238080331 0.16572476160661 0.36580794608653 26.982 > 13 14 Al 0.58286238080330 0.16572476160661 0.36580794608653 26.982 > 13 15 Al 0.08286238080331 0.66572476160661 0.36580794608653 26.982 > 13 16 Al 0.58286238080330 0.66572476160661 0.36580794608653 26.982 > 13 17 Al 0.33427523839339 0.41713761919670 0.36580794608653 26.982 > 17 18 Al 0.83427523839339 0.41713761919670 0.36580794608653 26.982 > 17 19 Al 0.33427523839339 0.91713761919670 0.36580794608653 26.982 > 17 20 Al 0.83427523839339 0.91713761919670 0.36580794608653 26.982 > 17 21 Al 0.08286238080331 0.41713761919670 0.36580794608653 26.982 > 21 22 Al 0.58286238080330 0.41713761919670 0.36580794608653 26.982 > 21 23 Al 0.08286238080331 0.91713761919670 0.36580794608653 26.982 > 21 24 Al 0.58286238080330 0.91713761919670 0.36580794608653 26.982 > 21 25 Al 0.16666666666667 0.33333333333333 0.65843938919118 26.982 > 25 26 Al 0.66666666666667 0.33333333333333 0.65843938919118 26.982 > 25 27 Al 0.16666666666667 0.83333333333333 0.65843938919118 26.982 > 25 28 Al 0.66666666666667 0.83333333333333 0.65843938919118 26.982 > 25 29 Al 0.33333333333333 0.16666666666667 0.15843938919118 26.982 > 29 30 Al 0.83333333333333 0.16666666666667 0.15843938919118 26.982 > 29 31 Al 0.33333333333333 0.66666666666667 0.15843938919118 26.982 > 29 32 Al 0.83333333333333 0.66666666666667 0.15843938919118 26.982 > 29 33 Al 0.33333333333333 0.16666666666667 0.54622885316408 26.982 > 33 34 Al 0.83333333333333 0.16666666666667 0.54622885316408 26.982 > 33 35 Al 0.33333333333333 0.66666666666667 0.54622885316408 26.982 > 33 36 Al 0.83333333333333 0.66666666666667 0.54622885316408 26.982 > 33 37 Al 0.16666666666667 0.33333333333333 0.04622885316408 26.982 > 37 38 Al 0.66666666666667 0.33333333333333 0.04622885316408 26.982 > 37 39 Al 0.16666666666667 0.83333333333333 0.04622885316408 26.982 > 37 40 Al 0.66666666666667 0.83333333333333 0.04622885316408 26.982 > 37 41 H 0.00000000000000 0.00000000000000 0.59968708574093 1.008 > 41 42 H 0.50000000000000 0.00000000000000 0.59968708574093 1.008 > 41 43 H 0.00000000000000 0.50000000000000 0.59968708574093 1.008 > 41 44 H 0.50000000000000 0.50000000000000 0.59968708574093 1.008 > 41 45 H 0.00000000000000 0.00000000000000 0.09968708574093 1.008 > 45 46 H 0.50000000000000 0.00000000000000 0.09968708574093 1.008 > 45 47 H 0.00000000000000 0.50000000000000 0.09968708574093 1.008 > 45 48 H 0.50000000000000 0.50000000000000 0.09968708574093 1.008 > 45 49 O 0.00000000000000 0.00000000000000 0.48572401325403 15.999 > 49 50 O 0.50000000000000 0.00000000000000 0.48572401325403 15.999 > 49 51 O 0.00000000000000 0.50000000000000 0.48572401325403 15.999 > 49 52 O 0.50000000000000 0.50000000000000 0.48572401325403 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.98572401325403 15.999 > 53 54 O 0.50000000000000 0.00000000000000 0.98572401325403 15.999 > 53 55 O 0.00000000000000 0.50000000000000 0.98572401325403 15.999 > 53 56 O 0.50000000000000 0.50000000000000 0.98572401325403 15.999 > 53 57 O 0.24253635211112 0.48507270422224 0.50109308744102 15.999 > 57 58 O 0.74253635211112 0.48507270422224 0.50109308744102 15.999 > 57 59 O 0.24253635211112 0.98507270422224 0.50109308744102 15.999 > 57 60 O 0.74253635211112 0.98507270422224 0.50109308744102 15.999 > 57 61 O 0.01492729577776 0.25746364788888 0.50109308744102 15.999 > 61 62 O 0.51492729577776 0.25746364788888 0.50109308744102 15.999 > 61 63 O 0.01492729577776 0.75746364788888 0.50109308744102 15.999 > 61 64 O 0.51492729577776 0.75746364788888 0.50109308744102 15.999 > 61 65 O 0.24253635211112 0.25746364788888 0.50109308744102 15.999 > 65 66 O 0.74253635211112 0.25746364788888 0.50109308744102 15.999 > 65 67 O 0.24253635211112 0.75746364788888 0.50109308744102 15.999 > 65 68 O 0.74253635211112 0.75746364788888 0.50109308744102 15.999 > 65 69 O 0.25746364788888 0.01492729577776 0.00109308744102 15.999 > 69 70 O 0.75746364788888 0.01492729577776 0.00109308744102 15.999 > 69 71 O 0.25746364788888 0.51492729577776 0.00109308744102 15.999 > 69 72 O 0.75746364788888 0.51492729577776 0.00109308744102 15.999 > 69 73 O 0.48507270422224 0.24253635211112 0.00109308744102 15.999 > 73 74 O 0.98507270422224 0.24253635211112 0.00109308744102 15.999 > 73 75 O 0.48507270422224 0.74253635211112 0.00109308744102 15.999 > 73 76 O 0.98507270422224 0.74253635211112 0.00109308744102 15.999 > 73 77 O 0.25746364788888 0.24253635211112 0.00109308744102 15.999 > 77 78 O 0.75746364788888 0.24253635211112 0.00109308744102 15.999 > 77 79 O 0.25746364788888 0.74253635211112 0.00109308744102 15.999 > 77 80 O 0.75746364788888 0.74253635211112 0.00109308744102 15.999 > 77 81 O 0.08293235426316 0.41706764573684 0.76243240739309 15.999 > 81 82 O 0.58293235426316 0.41706764573684 0.76243240739309 15.999 > 81 83 O 0.08293235426316 0.91706764573684 0.76243240739309 15.999 > 81 84 O 0.58293235426316 0.91706764573684 0.76243240739309 15.999 > 81 85 O 0.08293235426316 0.16586470852631 0.76243240739309 15.999 > 85 86 O 0.58293235426316 0.16586470852631 0.76243240739309 15.999 > 85 87 O 0.08293235426316 0.66586470852631 0.76243240739309 15.999 > 85 88 O 0.58293235426316 0.66586470852631 0.76243240739309 15.999 > 85 89 O 0.33413529147368 0.41706764573684 0.76243240739309 15.999 > 89 90 O 0.83413529147369 0.41706764573684 0.76243240739309 15.999 > 89 91 O 0.33413529147368 0.91706764573684 0.76243240739309 15.999 > 89 92 O 0.83413529147369 0.91706764573684 0.76243240739309 15.999 > 89 93 O 0.41706764573684 0.08293235426316 0.26243240739309 15.999 > 93 94 O 0.91706764573684 0.08293235426316 0.26243240739309 15.999 > 93 95 O 0.41706764573684 0.58293235426316 0.26243240739309 15.999 > 93 96 O 0.91706764573684 0.58293235426316 0.26243240739309 15.999 > 93 97 O 0.41706764573684 0.33413529147368 0.26243240739309 15.999 > 97 98 O 0.91706764573684 0.33413529147368 0.26243240739309 15.999 > 97 99 O 0.41706764573684 0.83413529147369 0.26243240739309 15.999 > 97 100 O 0.91706764573684 0.83413529147369 0.26243240739309 15.999 > 97 101 O 0.16586470852631 0.08293235426316 0.26243240739309 15.999 > 101 102 O 0.66586470852631 0.08293235426316 0.26243240739309 15.999 > 101 103 O 0.16586470852631 0.58293235426316 0.26243240739309 15.999 > 101 104 O 0.66586470852631 0.58293235426316 0.26243240739309 15.999 > 101 105 O 0.33333333333333 0.16666666666667 0.75399015588787 15.999 > 105 106 O 0.83333333333333 0.16666666666667 0.75399015588787 15.999 > 105 107 O 0.33333333333333 0.66666666666667 0.75399015588787 15.999 > 105 108 O 0.83333333333333 0.66666666666667 0.75399015588787 15.999 > 105 109 O 0.16666666666667 0.33333333333333 0.25399015588787 15.999 > 109 110 O 0.66666666666667 0.33333333333333 0.25399015588787 15.999 > 109 111 O 0.16666666666667 0.83333333333333 0.25399015588787 15.999 > 109 112 O 0.66666666666667 0.83333333333333 0.25399015588787 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2287209 0.0000000 0.0000000 0.0000000 3.2287209 0.0000000 0.0000000 0.0000000 3.1994378 -------------------------- Born effective charges -------------------------- 1 Al 2.9301115 0.0000000 -0.0000000 0.0000000 2.9974689 -0.0663863 0.0000000 -0.0940000 2.6022477 2 Al 2.9806296 0.0291666 0.0574922 0.0291666 2.9469509 0.0331932 0.0814064 0.0470000 2.6022477 3 Al 2.9806296 -0.0291666 -0.0574922 -0.0291666 2.9469509 0.0331932 -0.0814064 0.0470000 2.6022477 4 Al 2.9301115 0.0000000 0.0000000 0.0000000 2.9974689 0.0663863 -0.0000000 0.0940000 2.6022477 5 Al 2.9806296 0.0291666 -0.0574922 0.0291666 2.9469509 -0.0331932 -0.0814064 -0.0470000 2.6022477 6 Al 2.9806296 -0.0291666 0.0574922 -0.0291666 2.9469509 -0.0331932 0.0814064 -0.0470000 2.6022477 7 Al 2.9455244 0.0000000 0.0000000 0.0000000 2.9455244 0.0000000 0.0000000 0.0000000 3.1717673 8 Al 2.9455244 0.0000000 0.0000000 0.0000000 2.9455244 0.0000000 0.0000000 0.0000000 3.1717673 9 Al 2.8539347 0.0000000 0.0000000 0.0000000 2.8539347 0.0000000 0.0000000 0.0000000 3.1366377 10 Al 2.8539347 0.0000000 0.0000000 0.0000000 2.8539347 0.0000000 0.0000000 0.0000000 3.1366377 11 H 0.5909008 0.0000000 0.0000000 0.0000000 0.5909008 0.0000000 0.0000000 0.0000000 1.1154496 12 H 0.5909008 0.0000000 0.0000000 0.0000000 0.5909008 0.0000000 0.0000000 0.0000000 1.1154496 13 O -1.5797661 -0.0000000 0.0000000 0.0000000 -1.5797661 0.0000000 0.0000000 0.0000000 -1.9355977 14 O -1.5797661 -0.0000000 0.0000000 0.0000000 -1.5797661 0.0000000 0.0000000 0.0000000 -1.9355977 15 O -1.7769825 -0.0000000 -0.0000000 0.0000000 -2.1190401 -0.0470669 -0.0000000 -0.0240957 -1.9146436 16 O -2.0335257 -0.1481153 0.0407611 -0.1481153 -1.8624969 0.0235334 0.0208675 0.0120479 -1.9146436 17 O -2.0335257 0.1481153 -0.0407611 0.1481153 -1.8624969 0.0235334 -0.0208675 0.0120479 -1.9146436 18 O -1.7769825 -0.0000000 0.0000000 0.0000000 -2.1190401 0.0470669 0.0000000 0.0240957 -1.9146436 19 O -2.0335257 -0.1481153 -0.0407611 -0.1481153 -1.8624969 -0.0235334 -0.0208675 -0.0120479 -1.9146436 20 O -2.0335257 0.1481153 0.0407611 0.1481153 -1.8624969 -0.0235334 0.0208675 -0.0120479 -1.9146436 21 O -2.0418590 0.0629998 0.2026768 0.0629998 -1.9691131 -0.1170155 0.2442193 -0.1410001 -1.8005511 22 O -1.9327401 -0.0000000 0.0000000 0.0000000 -2.0782319 0.2340310 0.0000000 0.2820002 -1.8005511 23 O -2.0418590 -0.0629998 -0.2026768 -0.0629998 -1.9691131 -0.1170155 -0.2442193 -0.1410001 -1.8005511 24 O -2.0418590 0.0629998 -0.2026768 0.0629998 -1.9691131 0.1170155 -0.2442193 0.1410001 -1.8005511 25 O -1.9327401 -0.0000000 -0.0000000 0.0000000 -2.0782319 -0.2340310 -0.0000000 -0.2820002 -1.8005511 26 O -2.0418590 -0.0629998 0.2026768 -0.0629998 -1.9691131 0.1170155 0.2442193 0.1410001 -1.8005511 27 O -1.8414725 -0.0000000 0.0000000 0.0000000 -1.8414725 0.0000000 0.0000000 0.0000000 -2.1494161 28 O -1.8414725 -0.0000000 0.0000000 0.0000000 -1.8414725 0.0000000 0.0000000 0.0000000 -2.1494161 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000011 (zzz) -0.00000011 (zzz) -0.00000011 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:35:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:35:58]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.594240403777075 0.000000000000000 0.000000000000000 b -2.797120201888537 4.844754304548262 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755921780000000 Atomic positions (fractional): 1 Al 0.83427523839339 0.66855047678678 0.86580794608653 26.982 2 Al 0.33144952321322 0.16572476160661 0.86580794608653 26.982 3 Al 0.83427523839339 0.16572476160661 0.86580794608653 26.982 4 Al 0.16572476160661 0.33144952321322 0.36580794608653 26.982 5 Al 0.66855047678678 0.83427523839339 0.36580794608653 26.982 6 Al 0.16572476160661 0.83427523839339 0.36580794608653 26.982 7 Al 0.33333333333333 0.66666666666667 0.65843938919118 26.982 8 Al 0.66666666666667 0.33333333333333 0.15843938919118 26.982 9 Al 0.66666666666667 0.33333333333333 0.54622885316408 26.982 10 Al 0.33333333333333 0.66666666666667 0.04622885316408 26.982 11 H 0.00000000000000 0.00000000000000 0.59968708574093 1.008 12 H 0.00000000000000 0.00000000000000 0.09968708574093 1.008 13 O 0.00000000000000 0.00000000000000 0.48572401325403 15.999 14 O 0.00000000000000 0.00000000000000 0.98572401325403 15.999 15 O 0.48507270422224 0.97014540844448 0.50109308744102 15.999 16 O 0.02985459155553 0.51492729577776 0.50109308744102 15.999 17 O 0.48507270422224 0.51492729577776 0.50109308744102 15.999 18 O 0.51492729577776 0.02985459155553 0.00109308744102 15.999 19 O 0.97014540844448 0.48507270422224 0.00109308744102 15.999 20 O 0.51492729577776 0.48507270422224 0.00109308744102 15.999 21 O 0.16586470852631 0.83413529147369 0.76243240739309 15.999 22 O 0.16586470852631 0.33172941705263 0.76243240739309 15.999 23 O 0.66827058294737 0.83413529147369 0.76243240739309 15.999 24 O 0.83413529147369 0.16586470852631 0.26243240739309 15.999 25 O 0.83413529147369 0.66827058294737 0.26243240739309 15.999 26 O 0.33172941705263 0.16586470852631 0.26243240739309 15.999 27 O 0.66666666666667 0.33333333333333 0.75399015588787 15.999 28 O 0.33333333333333 0.66666666666667 0.25399015588787 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.188480807554150 0.000000000000000 0.000000000000000 b -5.594240403777074 9.689508609096524 0.000000000000000 c 0.000000000000000 0.000000000000000 8.755921780000000 Atomic positions (fractional): 1 Al 0.41713761919670 0.33427523839339 0.86580794608653 26.982 > 1 2 Al 0.91713761919670 0.33427523839339 0.86580794608653 26.982 > 1 3 Al 0.41713761919670 0.83427523839339 0.86580794608653 26.982 > 1 4 Al 0.91713761919670 0.83427523839339 0.86580794608653 26.982 > 1 5 Al 0.16572476160661 0.08286238080331 0.86580794608653 26.982 > 5 6 Al 0.66572476160661 0.08286238080331 0.86580794608653 26.982 > 5 7 Al 0.16572476160661 0.58286238080330 0.86580794608653 26.982 > 5 8 Al 0.66572476160661 0.58286238080330 0.86580794608653 26.982 > 5 9 Al 0.41713761919670 0.08286238080331 0.86580794608653 26.982 > 9 10 Al 0.91713761919670 0.08286238080331 0.86580794608653 26.982 > 9 11 Al 0.41713761919670 0.58286238080330 0.86580794608653 26.982 > 9 12 Al 0.91713761919670 0.58286238080330 0.86580794608653 26.982 > 9 13 Al 0.08286238080331 0.16572476160661 0.36580794608653 26.982 > 13 14 Al 0.58286238080330 0.16572476160661 0.36580794608653 26.982 > 13 15 Al 0.08286238080331 0.66572476160661 0.36580794608653 26.982 > 13 16 Al 0.58286238080330 0.66572476160661 0.36580794608653 26.982 > 13 17 Al 0.33427523839339 0.41713761919670 0.36580794608653 26.982 > 17 18 Al 0.83427523839339 0.41713761919670 0.36580794608653 26.982 > 17 19 Al 0.33427523839339 0.91713761919670 0.36580794608653 26.982 > 17 20 Al 0.83427523839339 0.91713761919670 0.36580794608653 26.982 > 17 21 Al 0.08286238080331 0.41713761919670 0.36580794608653 26.982 > 21 22 Al 0.58286238080330 0.41713761919670 0.36580794608653 26.982 > 21 23 Al 0.08286238080331 0.91713761919670 0.36580794608653 26.982 > 21 24 Al 0.58286238080330 0.91713761919670 0.36580794608653 26.982 > 21 25 Al 0.16666666666667 0.33333333333333 0.65843938919118 26.982 > 25 26 Al 0.66666666666667 0.33333333333333 0.65843938919118 26.982 > 25 27 Al 0.16666666666667 0.83333333333333 0.65843938919118 26.982 > 25 28 Al 0.66666666666667 0.83333333333333 0.65843938919118 26.982 > 25 29 Al 0.33333333333333 0.16666666666667 0.15843938919118 26.982 > 29 30 Al 0.83333333333333 0.16666666666667 0.15843938919118 26.982 > 29 31 Al 0.33333333333333 0.66666666666667 0.15843938919118 26.982 > 29 32 Al 0.83333333333333 0.66666666666667 0.15843938919118 26.982 > 29 33 Al 0.33333333333333 0.16666666666667 0.54622885316408 26.982 > 33 34 Al 0.83333333333333 0.16666666666667 0.54622885316408 26.982 > 33 35 Al 0.33333333333333 0.66666666666667 0.54622885316408 26.982 > 33 36 Al 0.83333333333333 0.66666666666667 0.54622885316408 26.982 > 33 37 Al 0.16666666666667 0.33333333333333 0.04622885316408 26.982 > 37 38 Al 0.66666666666667 0.33333333333333 0.04622885316408 26.982 > 37 39 Al 0.16666666666667 0.83333333333333 0.04622885316408 26.982 > 37 40 Al 0.66666666666667 0.83333333333333 0.04622885316408 26.982 > 37 41 H 0.00000000000000 0.00000000000000 0.59968708574093 1.008 > 41 42 H 0.50000000000000 0.00000000000000 0.59968708574093 1.008 > 41 43 H 0.00000000000000 0.50000000000000 0.59968708574093 1.008 > 41 44 H 0.50000000000000 0.50000000000000 0.59968708574093 1.008 > 41 45 H 0.00000000000000 0.00000000000000 0.09968708574093 1.008 > 45 46 H 0.50000000000000 0.00000000000000 0.09968708574093 1.008 > 45 47 H 0.00000000000000 0.50000000000000 0.09968708574093 1.008 > 45 48 H 0.50000000000000 0.50000000000000 0.09968708574093 1.008 > 45 49 O 0.00000000000000 0.00000000000000 0.48572401325403 15.999 > 49 50 O 0.50000000000000 0.00000000000000 0.48572401325403 15.999 > 49 51 O 0.00000000000000 0.50000000000000 0.48572401325403 15.999 > 49 52 O 0.50000000000000 0.50000000000000 0.48572401325403 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.98572401325403 15.999 > 53 54 O 0.50000000000000 0.00000000000000 0.98572401325403 15.999 > 53 55 O 0.00000000000000 0.50000000000000 0.98572401325403 15.999 > 53 56 O 0.50000000000000 0.50000000000000 0.98572401325403 15.999 > 53 57 O 0.24253635211112 0.48507270422224 0.50109308744102 15.999 > 57 58 O 0.74253635211112 0.48507270422224 0.50109308744102 15.999 > 57 59 O 0.24253635211112 0.98507270422224 0.50109308744102 15.999 > 57 60 O 0.74253635211112 0.98507270422224 0.50109308744102 15.999 > 57 61 O 0.01492729577776 0.25746364788888 0.50109308744102 15.999 > 61 62 O 0.51492729577776 0.25746364788888 0.50109308744102 15.999 > 61 63 O 0.01492729577776 0.75746364788888 0.50109308744102 15.999 > 61 64 O 0.51492729577776 0.75746364788888 0.50109308744102 15.999 > 61 65 O 0.24253635211112 0.25746364788888 0.50109308744102 15.999 > 65 66 O 0.74253635211112 0.25746364788888 0.50109308744102 15.999 > 65 67 O 0.24253635211112 0.75746364788888 0.50109308744102 15.999 > 65 68 O 0.74253635211112 0.75746364788888 0.50109308744102 15.999 > 65 69 O 0.25746364788888 0.01492729577776 0.00109308744102 15.999 > 69 70 O 0.75746364788888 0.01492729577776 0.00109308744102 15.999 > 69 71 O 0.25746364788888 0.51492729577776 0.00109308744102 15.999 > 69 72 O 0.75746364788888 0.51492729577776 0.00109308744102 15.999 > 69 73 O 0.48507270422224 0.24253635211112 0.00109308744102 15.999 > 73 74 O 0.98507270422224 0.24253635211112 0.00109308744102 15.999 > 73 75 O 0.48507270422224 0.74253635211112 0.00109308744102 15.999 > 73 76 O 0.98507270422224 0.74253635211112 0.00109308744102 15.999 > 73 77 O 0.25746364788888 0.24253635211112 0.00109308744102 15.999 > 77 78 O 0.75746364788888 0.24253635211112 0.00109308744102 15.999 > 77 79 O 0.25746364788888 0.74253635211112 0.00109308744102 15.999 > 77 80 O 0.75746364788888 0.74253635211112 0.00109308744102 15.999 > 77 81 O 0.08293235426316 0.41706764573684 0.76243240739309 15.999 > 81 82 O 0.58293235426316 0.41706764573684 0.76243240739309 15.999 > 81 83 O 0.08293235426316 0.91706764573684 0.76243240739309 15.999 > 81 84 O 0.58293235426316 0.91706764573684 0.76243240739309 15.999 > 81 85 O 0.08293235426316 0.16586470852631 0.76243240739309 15.999 > 85 86 O 0.58293235426316 0.16586470852631 0.76243240739309 15.999 > 85 87 O 0.08293235426316 0.66586470852631 0.76243240739309 15.999 > 85 88 O 0.58293235426316 0.66586470852631 0.76243240739309 15.999 > 85 89 O 0.33413529147368 0.41706764573684 0.76243240739309 15.999 > 89 90 O 0.83413529147369 0.41706764573684 0.76243240739309 15.999 > 89 91 O 0.33413529147368 0.91706764573684 0.76243240739309 15.999 > 89 92 O 0.83413529147369 0.91706764573684 0.76243240739309 15.999 > 89 93 O 0.41706764573684 0.08293235426316 0.26243240739309 15.999 > 93 94 O 0.91706764573684 0.08293235426316 0.26243240739309 15.999 > 93 95 O 0.41706764573684 0.58293235426316 0.26243240739309 15.999 > 93 96 O 0.91706764573684 0.58293235426316 0.26243240739309 15.999 > 93 97 O 0.41706764573684 0.33413529147368 0.26243240739309 15.999 > 97 98 O 0.91706764573684 0.33413529147368 0.26243240739309 15.999 > 97 99 O 0.41706764573684 0.83413529147369 0.26243240739309 15.999 > 97 100 O 0.91706764573684 0.83413529147369 0.26243240739309 15.999 > 97 101 O 0.16586470852631 0.08293235426316 0.26243240739309 15.999 > 101 102 O 0.66586470852631 0.08293235426316 0.26243240739309 15.999 > 101 103 O 0.16586470852631 0.58293235426316 0.26243240739309 15.999 > 101 104 O 0.66586470852631 0.58293235426316 0.26243240739309 15.999 > 101 105 O 0.33333333333333 0.16666666666667 0.75399015588787 15.999 > 105 106 O 0.83333333333333 0.16666666666667 0.75399015588787 15.999 > 105 107 O 0.33333333333333 0.66666666666667 0.75399015588787 15.999 > 105 108 O 0.83333333333333 0.66666666666667 0.75399015588787 15.999 > 105 109 O 0.16666666666667 0.33333333333333 0.25399015588787 15.999 > 109 110 O 0.66666666666667 0.33333333333333 0.25399015588787 15.999 > 109 111 O 0.16666666666667 0.83333333333333 0.25399015588787 15.999 > 109 112 O 0.66666666666667 0.83333333333333 0.25399015588787 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2287209 0.0000000 0.0000000 0.0000000 3.2287209 0.0000000 0.0000000 0.0000000 3.1994378 -------------------------- Born effective charges -------------------------- 1 Al 2.9301115 0.0000000 -0.0000000 0.0000000 2.9974689 -0.0663863 0.0000000 -0.0940000 2.6022477 2 Al 2.9806296 0.0291666 0.0574922 0.0291666 2.9469509 0.0331932 0.0814064 0.0470000 2.6022477 3 Al 2.9806296 -0.0291666 -0.0574922 -0.0291666 2.9469509 0.0331932 -0.0814064 0.0470000 2.6022477 4 Al 2.9301115 0.0000000 0.0000000 0.0000000 2.9974689 0.0663863 -0.0000000 0.0940000 2.6022477 5 Al 2.9806296 0.0291666 -0.0574922 0.0291666 2.9469509 -0.0331932 -0.0814064 -0.0470000 2.6022477 6 Al 2.9806296 -0.0291666 0.0574922 -0.0291666 2.9469509 -0.0331932 0.0814064 -0.0470000 2.6022477 7 Al 2.9455244 0.0000000 0.0000000 0.0000000 2.9455244 0.0000000 0.0000000 0.0000000 3.1717673 8 Al 2.9455244 0.0000000 0.0000000 0.0000000 2.9455244 0.0000000 0.0000000 0.0000000 3.1717673 9 Al 2.8539347 0.0000000 0.0000000 0.0000000 2.8539347 0.0000000 0.0000000 0.0000000 3.1366377 10 Al 2.8539347 0.0000000 0.0000000 0.0000000 2.8539347 0.0000000 0.0000000 0.0000000 3.1366377 11 H 0.5909008 0.0000000 0.0000000 0.0000000 0.5909008 0.0000000 0.0000000 0.0000000 1.1154496 12 H 0.5909008 0.0000000 0.0000000 0.0000000 0.5909008 0.0000000 0.0000000 0.0000000 1.1154496 13 O -1.5797661 -0.0000000 0.0000000 0.0000000 -1.5797661 0.0000000 0.0000000 0.0000000 -1.9355977 14 O -1.5797661 -0.0000000 0.0000000 0.0000000 -1.5797661 0.0000000 0.0000000 0.0000000 -1.9355977 15 O -1.7769825 -0.0000000 -0.0000000 0.0000000 -2.1190401 -0.0470669 -0.0000000 -0.0240957 -1.9146436 16 O -2.0335257 -0.1481153 0.0407611 -0.1481153 -1.8624969 0.0235334 0.0208675 0.0120479 -1.9146436 17 O -2.0335257 0.1481153 -0.0407611 0.1481153 -1.8624969 0.0235334 -0.0208675 0.0120479 -1.9146436 18 O -1.7769825 -0.0000000 0.0000000 0.0000000 -2.1190401 0.0470669 0.0000000 0.0240957 -1.9146436 19 O -2.0335257 -0.1481153 -0.0407611 -0.1481153 -1.8624969 -0.0235334 -0.0208675 -0.0120479 -1.9146436 20 O -2.0335257 0.1481153 0.0407611 0.1481153 -1.8624969 -0.0235334 0.0208675 -0.0120479 -1.9146436 21 O -2.0418590 0.0629998 0.2026768 0.0629998 -1.9691131 -0.1170155 0.2442193 -0.1410001 -1.8005511 22 O -1.9327401 -0.0000000 0.0000000 0.0000000 -2.0782319 0.2340310 0.0000000 0.2820002 -1.8005511 23 O -2.0418590 -0.0629998 -0.2026768 -0.0629998 -1.9691131 -0.1170155 -0.2442193 -0.1410001 -1.8005511 24 O -2.0418590 0.0629998 -0.2026768 0.0629998 -1.9691131 0.1170155 -0.2442193 0.1410001 -1.8005511 25 O -1.9327401 -0.0000000 -0.0000000 0.0000000 -2.0782319 -0.2340310 -0.0000000 -0.2820002 -1.8005511 26 O -2.0418590 -0.0629998 0.2026768 -0.0629998 -1.9691131 0.1170155 0.2442193 0.1410001 -1.8005511 27 O -1.8414725 -0.0000000 0.0000000 0.0000000 -1.8414725 0.0000000 0.0000000 0.0000000 -2.1494161 28 O -1.8414725 -0.0000000 0.0000000 0.0000000 -1.8414725 0.0000000 0.0000000 0.0000000 -2.1494161 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (zzz) -0.00000011 (zzz) -0.00000011 (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 ... [ 10 10 6 ] 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: 0.67, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -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 3.999 ( 0.000 -0.000 0.000) 0.000 3.999 ( -0.000 0.000 -0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.783 ( -0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 -0.000 0.000) 0.000 7.608 ( -0.000 0.000 -0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 8.085 ( 0.000 0.000 0.000) 0.000 8.085 ( 0.000 0.000 0.000) 0.000 8.682 ( 0.000 -0.000 -0.000) 0.000 9.256 ( 0.000 -0.000 0.000) 0.000 9.256 ( 0.000 -0.000 0.000) 0.000 9.299 ( 0.000 -0.000 0.000) 0.000 9.299 ( -0.000 0.000 0.000) 0.000 9.764 ( 0.000 0.000 0.000) 0.000 9.764 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 -0.000) 0.000 9.859 ( 0.000 -0.000 0.000) 0.000 10.403 ( 0.000 0.000 -0.000) 0.000 11.036 ( -0.000 0.000 -0.000) 0.000 11.583 ( 0.000 0.000 0.000) 0.000 11.583 ( 0.000 0.000 0.000) 0.000 11.632 ( -0.000 0.000 0.000) 0.000 11.779 ( 0.000 0.000 0.000) 0.000 11.783 ( 0.000 -0.000 -0.000) 0.000 12.520 ( -0.000 0.000 0.000) 0.000 12.520 ( 0.000 -0.000 -0.000) 0.000 12.792 ( 0.000 0.000 -0.000) 0.000 12.792 ( 0.000 -0.000 0.000) 0.000 13.462 ( 0.000 0.000 0.000) 0.000 13.787 ( 0.000 0.000 0.000) 0.000 13.787 ( 0.000 0.000 -0.000) 0.000 13.858 ( 0.000 0.000 0.000) 0.000 14.248 ( 0.000 0.000 -0.000) 0.000 14.248 ( 0.000 0.000 -0.000) 0.000 14.643 ( -0.000 -0.000 0.000) 0.000 14.643 ( 0.000 -0.000 -0.000) 0.000 14.715 ( -0.000 0.000 -0.000) 0.000 14.715 ( -0.000 0.000 0.000) 0.000 15.856 ( 0.000 0.000 -0.000) 0.000 15.856 ( 0.000 0.000 -0.000) 0.000 15.950 ( -0.000 0.000 0.000) 0.000 15.950 ( -0.000 0.000 0.000) 0.000 16.212 ( 0.000 0.000 -0.000) 0.000 16.697 ( 0.000 0.000 -0.000) 0.000 16.697 ( -0.000 0.000 0.000) 0.000 16.945 ( -0.000 -0.000 -0.000) 0.000 16.951 ( 0.000 0.000 0.000) 0.000 17.222 ( -0.000 0.000 0.000) 0.000 17.598 ( 0.000 0.000 -0.000) 0.000 17.598 ( 0.000 0.000 -0.000) 0.000 18.485 ( -0.000 0.000 0.000) 0.000 18.752 ( -0.000 0.000 0.000) 0.000 19.074 ( 0.000 -0.000 0.000) 0.000 19.074 ( 0.000 -0.000 -0.000) 0.000 19.315 ( 0.000 -0.000 -0.000) 0.000 19.315 ( 0.000 0.000 0.000) 0.000 19.689 ( 0.000 0.000 -0.000) 0.000 20.153 ( 0.000 0.000 -0.000) 0.000 20.153 ( 0.000 0.000 0.000) 0.000 20.253 ( 0.000 0.000 -0.000) 0.000 20.253 ( 0.000 -0.000 0.000) 0.000 20.424 ( 0.000 0.000 -0.000) 0.000 20.751 ( 0.000 -0.000 -0.000) 0.000 20.751 ( -0.000 -0.000 0.000) 0.000 20.990 ( 0.000 0.000 -0.000) 0.000 21.078 ( -0.000 0.000 -0.000) 0.000 21.078 ( 0.000 -0.000 -0.000) 0.000 21.683 ( 0.000 0.000 0.000) 0.000 22.732 ( 0.000 0.000 0.000) 0.000 23.266 ( -0.000 -0.000 0.000) 0.000 23.716 ( 0.000 0.000 0.000) 0.000 23.716 ( 0.000 0.000 0.000) 0.000 23.986 ( 0.000 -0.000 0.000) 0.000 24.269 ( -0.000 0.000 -0.000) 0.000 24.269 ( 0.000 -0.000 0.000) 0.000 25.421 ( -0.000 0.000 0.000) 0.000 98.775 ( 0.000 -0.000 -0.000) 0.000 99.661 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 41.574 24.003 0.000) 48.006 1.246 ( 51.864 29.944 0.000) 59.888 2.198 ( 91.329 52.729 0.000) 105.458 4.143 ( 11.611 6.703 0.000) 13.407 4.462 ( 36.236 20.921 0.000) 41.842 6.248 ( -6.365 -3.675 0.000) 7.350 6.643 ( 0.808 0.467 0.000) 0.933 6.877 ( 6.471 3.736 0.000) 7.472 6.888 ( 6.226 3.595 0.000) 7.189 7.617 ( 7.640 4.411 0.000) 8.822 7.754 ( 11.323 6.537 0.000) 13.075 7.820 ( 5.326 3.075 0.000) 6.150 7.990 ( -7.369 -4.255 0.000) 8.510 8.042 ( -2.610 -1.507 0.000) 3.014 8.514 ( -9.887 -5.708 0.000) 11.417 9.123 ( -7.731 -4.464 0.000) 8.927 9.213 ( -1.546 -0.893 0.000) 1.785 9.289 ( -4.097 -2.365 0.000) 4.730 9.402 ( 5.666 3.271 0.000) 6.543 9.777 ( 5.220 3.014 0.000) 6.028 9.894 ( 11.073 6.393 0.000) 12.786 9.994 ( 8.137 4.698 0.000) 9.396 10.180 ( 19.785 11.423 0.000) 22.846 10.448 ( 5.212 3.009 0.000) 6.018 11.165 ( 8.843 5.106 0.000) 10.211 11.534 ( -4.894 -2.825 0.000) 5.651 11.594 ( 1.918 1.108 0.000) 2.215 11.724 ( 6.060 3.499 0.000) 6.997 11.800 ( 2.453 1.416 0.000) 2.832 11.828 ( 5.231 3.020 0.000) 6.040 12.635 ( 8.297 4.791 0.000) 9.581 12.762 ( -1.548 -0.894 0.000) 1.787 12.781 ( -0.223 -0.128 0.000) 0.257 13.139 ( 5.718 3.301 0.000) 6.603 13.332 ( -10.019 -5.784 0.000) 11.568 13.528 ( -11.496 -6.637 0.000) 13.275 13.788 ( 0.058 0.034 0.000) 0.067 14.234 ( -1.433 -0.828 0.000) 1.655 14.294 ( 14.896 8.600 0.000) 17.200 14.351 ( 7.161 4.134 0.000) 8.269 14.498 ( -9.025 -5.211 0.000) 10.422 14.658 ( -1.915 -1.106 0.000) 2.212 14.757 ( 0.622 0.359 0.000) 0.719 14.807 ( 0.567 0.327 0.000) 0.654 15.772 ( -10.554 -6.093 0.000) 12.187 15.861 ( 0.293 0.169 0.000) 0.338 15.969 ( 1.201 0.693 0.000) 1.387 16.011 ( -11.672 -6.739 0.000) 13.478 16.527 ( 6.572 3.794 0.000) 7.589 16.594 ( -7.637 -4.409 0.000) 8.818 16.965 ( -11.761 -6.791 0.000) 13.581 17.032 ( 5.391 3.112 0.000) 6.225 17.258 ( 2.950 1.703 0.000) 3.406 17.503 ( -7.121 -4.111 0.000) 8.222 17.538 ( 8.045 4.645 0.000) 9.290 18.339 ( -11.744 -6.780 0.000) 13.561 18.513 ( -14.703 -8.489 0.000) 16.978 18.840 ( 3.869 2.234 0.000) 4.467 19.057 ( -1.305 -0.754 0.000) 1.507 19.246 ( -5.877 -3.393 0.000) 6.786 19.287 ( -2.223 -1.283 0.000) 2.566 19.331 ( -3.590 -2.073 0.000) 4.145 19.729 ( 2.045 1.181 0.000) 2.361 20.057 ( -6.385 -3.686 0.000) 7.372 20.146 ( -0.557 -0.322 0.000) 0.643 20.249 ( -0.357 -0.206 0.000) 0.413 20.446 ( 2.441 1.410 0.000) 2.819 20.539 ( -8.495 -4.905 0.000) 9.809 20.746 ( -0.558 -0.322 0.000) 0.644 21.010 ( -5.399 -3.117 0.000) 6.234 21.085 ( 1.997 1.153 0.000) 2.306 21.231 ( 12.035 6.948 0.000) 13.897 21.737 ( 3.284 1.896 0.000) 3.792 22.463 ( -6.529 -3.769 0.000) 7.539 22.795 ( 4.331 2.500 0.000) 5.001 23.421 ( 10.170 5.871 0.000) 11.743 23.767 ( 4.072 2.351 0.000) 4.702 23.948 ( -4.725 -2.728 0.000) 5.455 24.255 ( 1.061 0.613 0.000) 1.225 24.295 ( 2.032 1.173 0.000) 2.346 25.469 ( 4.153 2.398 0.000) 4.796 27.840 ( -3.208 -1.852 0.000) 3.704 98.768 ( -0.590 -0.341 0.000) 0.682 99.610 ( -4.158 -2.400 0.000) 4.801 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 43.341 25.023 0.000) 50.045 2.462 ( 49.956 28.842 0.000) 57.685 4.330 ( 86.847 50.141 0.000) 100.282 4.519 ( 19.038 10.991 0.000) 21.983 5.558 ( 52.221 30.150 0.000) 60.299 6.099 ( -5.757 -3.324 0.000) 6.648 6.670 ( 0.717 0.414 0.000) 0.828 6.980 ( 0.433 0.250 0.000) 0.501 7.042 ( 6.481 3.742 0.000) 7.484 7.689 ( -3.843 -2.219 0.000) 4.437 7.713 ( -10.512 -6.069 0.000) 12.138 8.041 ( 2.570 1.484 0.000) 2.968 8.067 ( 6.901 3.985 0.000) 7.969 8.068 ( 11.963 6.907 0.000) 13.813 8.312 ( -3.450 -1.992 0.000) 3.984 8.923 ( -8.420 -4.861 0.000) 9.723 9.207 ( 1.552 0.896 0.000) 1.792 9.224 ( 4.577 2.643 0.000) 5.285 9.607 ( 11.388 6.575 0.000) 13.149 10.015 ( 12.828 7.406 0.000) 14.813 10.107 ( 5.378 3.105 0.000) 6.209 10.224 ( 12.013 6.936 0.000) 13.872 10.672 ( 12.686 7.324 0.000) 14.648 10.720 ( 22.119 12.771 0.000) 25.541 11.290 ( 0.619 0.357 0.000) 0.714 11.379 ( -7.565 -4.368 0.000) 8.736 11.754 ( 9.026 5.211 0.000) 10.422 11.767 ( -1.040 -0.600 0.000) 1.201 11.951 ( 12.612 7.281 0.000) 14.563 12.086 ( 12.960 7.482 0.000) 14.964 12.662 ( -2.705 -1.562 0.000) 3.123 12.837 ( 6.104 3.524 0.000) 7.048 12.957 ( 14.609 8.435 0.000) 16.869 13.063 ( -8.801 -5.081 0.000) 10.162 13.317 ( 3.188 1.841 0.000) 3.681 13.375 ( 2.929 1.691 0.000) 3.382 13.783 ( -1.175 -0.679 0.000) 1.357 14.141 ( -7.717 -4.455 0.000) 8.910 14.290 ( -6.125 -3.536 0.000) 7.073 14.426 ( -6.657 -3.843 0.000) 7.686 14.562 ( 9.146 5.280 0.000) 10.560 14.617 ( -3.739 -2.159 0.000) 4.317 14.725 ( -3.219 -1.858 0.000) 3.717 14.845 ( 5.498 3.174 0.000) 6.349 15.586 ( -4.478 -2.585 0.000) 5.170 15.703 ( -13.871 -8.008 0.000) 16.017 15.855 ( -1.521 -0.878 0.000) 1.756 15.987 ( -0.017 -0.010 0.000) 0.019 16.333 ( -22.016 -12.711 0.000) 25.422 16.369 ( -10.403 -6.006 0.000) 12.012 16.746 ( -0.567 -0.327 0.000) 0.655 16.975 ( -14.466 -8.352 0.000) 16.703 17.394 ( 8.894 5.135 0.000) 10.270 17.429 ( 4.603 2.657 0.000) 5.315 17.708 ( -15.448 -8.919 0.000) 17.838 17.997 ( -8.952 -5.169 0.000) 10.337 18.201 ( -2.253 -1.301 0.000) 2.601 18.800 ( -6.746 -3.895 0.000) 7.789 19.019 ( -1.750 -1.011 0.000) 2.021 19.070 ( -7.430 -4.290 0.000) 8.580 19.219 ( -3.296 -1.903 0.000) 3.806 19.285 ( -0.171 -0.099 0.000) 0.198 19.767 ( 1.764 1.018 0.000) 2.037 19.937 ( -3.182 -1.837 0.000) 3.674 20.133 ( -0.309 -0.178 0.000) 0.356 20.235 ( -0.739 -0.427 0.000) 0.853 20.396 ( -2.941 -1.698 0.000) 3.396 20.549 ( 5.479 3.163 0.000) 6.327 20.720 ( -1.670 -0.964 0.000) 1.928 20.844 ( -8.078 -4.664 0.000) 9.328 21.160 ( 3.833 2.213 0.000) 4.426 21.467 ( 7.271 4.198 0.000) 8.395 21.780 ( -0.441 -0.255 0.000) 0.509 22.329 ( -4.015 -2.318 0.000) 4.636 22.924 ( 5.901 3.407 0.000) 6.814 23.462 ( -12.584 -7.265 0.000) 14.531 23.894 ( 6.236 3.600 0.000) 7.200 23.907 ( 7.234 4.177 0.000) 8.353 24.353 ( 2.513 1.451 0.000) 2.902 24.366 ( 7.190 4.151 0.000) 8.302 25.620 ( 8.313 4.799 0.000) 9.599 27.731 ( -5.834 -3.368 0.000) 6.736 98.749 ( -0.954 -0.551 0.000) 1.102 99.479 ( -6.432 -3.714 0.000) 7.427 ======================= Grid point 3 (4/56) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 43.208 24.946 0.000) 49.893 3.615 ( 46.424 26.803 0.000) 53.606 5.004 ( 20.629 11.910 0.000) 23.820 5.974 ( -4.880 -2.818 0.000) 5.635 6.255 ( 67.406 38.917 0.000) 77.834 6.615 ( -0.577 -0.333 0.000) 0.666 6.751 ( 28.211 16.288 0.000) 32.576 7.013 ( 16.715 9.650 0.000) 19.301 7.124 ( -1.840 -1.062 0.000) 2.125 7.511 ( -3.111 -1.796 0.000) 3.592 7.512 ( -8.746 -5.050 0.000) 10.099 7.923 ( -8.697 -5.021 0.000) 10.042 7.977 ( -7.583 -4.378 0.000) 8.756 8.273 ( 5.176 2.989 0.000) 5.977 8.569 ( 16.148 9.323 0.000) 18.646 8.756 ( -5.437 -3.139 0.000) 6.278 9.481 ( 16.091 9.290 0.000) 18.580 9.492 ( 20.820 12.021 0.000) 24.041 9.907 ( 12.815 7.399 0.000) 14.798 10.199 ( 3.039 1.755 0.000) 3.509 10.280 ( 8.863 5.117 0.000) 10.234 10.595 ( 16.826 9.715 0.000) 19.429 10.759 ( -3.738 -2.158 0.000) 4.317 11.096 ( -10.999 -6.350 0.000) 12.701 11.308 ( 15.868 9.162 0.000) 18.323 11.314 ( 4.069 2.349 0.000) 4.698 11.757 ( 1.971 1.138 0.000) 2.276 11.898 ( 4.053 2.340 0.000) 4.680 12.306 ( 9.791 5.653 0.000) 11.306 12.342 ( 7.495 4.327 0.000) 8.655 12.686 ( 7.979 4.607 0.000) 9.213 12.948 ( 0.974 0.563 0.000) 1.125 13.108 ( 8.956 5.171 0.000) 10.342 13.305 ( 6.537 3.774 0.000) 7.549 13.325 ( 15.012 8.667 0.000) 17.334 13.622 ( 3.448 1.991 0.000) 3.982 13.660 ( -8.848 -5.108 0.000) 10.217 13.987 ( -17.673 -10.204 0.000) 20.407 13.991 ( -1.724 -0.995 0.000) 1.991 14.185 ( -4.325 -2.497 0.000) 4.994 14.567 ( -0.932 -0.538 0.000) 1.076 14.618 ( -5.223 -3.016 0.000) 6.031 14.742 ( 4.037 2.331 0.000) 4.662 14.949 ( 1.321 0.763 0.000) 1.525 15.387 ( -10.801 -6.236 0.000) 12.472 15.489 ( -4.751 -2.743 0.000) 5.486 15.722 ( -10.603 -6.121 0.000) 12.243 15.959 ( -8.605 -4.968 0.000) 9.936 15.975 ( -0.496 -0.286 0.000) 0.573 16.126 ( -11.367 -6.563 0.000) 13.125 16.523 ( -18.371 -10.607 0.000) 21.214 16.570 ( -16.972 -9.799 0.000) 19.598 17.126 ( -21.397 -12.354 0.000) 24.707 17.543 ( 5.864 3.385 0.000) 6.771 17.704 ( 13.269 7.661 0.000) 15.322 17.779 ( -8.222 -4.747 0.000) 9.494 18.139 ( -11.731 -6.773 0.000) 13.546 18.698 ( -1.227 -0.708 0.000) 1.417 18.961 ( -0.795 -0.459 0.000) 0.918 18.980 ( -1.360 -0.785 0.000) 1.570 19.137 ( -3.424 -1.977 0.000) 3.954 19.377 ( 9.659 5.577 0.000) 11.154 19.796 ( -1.805 -1.042 0.000) 2.084 19.915 ( 2.802 1.618 0.000) 3.235 20.138 ( 0.730 0.422 0.000) 0.843 20.215 ( -0.806 -0.465 0.000) 0.931 20.385 ( 1.651 0.953 0.000) 1.906 20.639 ( -7.794 -4.500 0.000) 9.000 20.673 ( -3.172 -1.831 0.000) 3.663 20.683 ( 5.326 3.075 0.000) 6.150 21.228 ( 1.227 0.708 0.000) 1.417 21.592 ( 3.661 2.113 0.000) 4.227 21.717 ( -4.279 -2.470 0.000) 4.941 22.275 ( -0.956 -0.552 0.000) 1.104 22.872 ( -18.128 -10.466 0.000) 20.932 23.199 ( 1.670 0.964 0.000) 1.928 24.050 ( 6.622 3.823 0.000) 7.647 24.132 ( 9.087 5.246 0.000) 10.493 24.400 ( 1.086 0.627 0.000) 1.254 24.546 ( 7.157 4.132 0.000) 8.264 25.847 ( 10.141 5.855 0.000) 11.710 27.573 ( -7.064 -4.078 0.000) 8.157 98.725 ( -0.953 -0.550 0.000) 1.100 99.324 ( -6.103 -3.524 0.000) 7.047 ======================= Grid point 4 (5/56) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( 36.810 21.252 0.000) 42.505 4.652 ( 39.858 23.012 0.000) 46.024 5.443 ( 14.580 8.418 0.000) 16.835 5.840 ( -7.520 -4.341 0.000) 8.683 6.282 ( -19.787 -11.424 0.000) 22.848 6.779 ( 2.243 1.295 0.000) 2.590 6.868 ( -16.900 -9.757 0.000) 19.514 7.024 ( -8.152 -4.707 0.000) 9.414 7.374 ( -3.053 -1.762 0.000) 3.525 7.650 ( 5.400 3.118 0.000) 6.236 7.790 ( -6.476 -3.739 0.000) 7.478 8.103 ( 42.649 24.624 0.000) 49.247 8.246 ( 41.682 24.065 0.000) 48.131 8.365 ( 3.351 1.935 0.000) 3.869 8.651 ( -3.681 -2.125 0.000) 4.251 8.971 ( 19.122 11.040 0.000) 22.080 9.875 ( 13.754 7.941 0.000) 15.881 10.007 ( 17.949 10.363 0.000) 20.725 10.171 ( 8.004 4.621 0.000) 9.242 10.246 ( 1.038 0.599 0.000) 1.198 10.455 ( 5.735 3.311 0.000) 6.622 10.602 ( -7.883 -4.551 0.000) 9.103 10.674 ( -17.016 -9.824 0.000) 19.649 10.915 ( 11.760 6.790 0.000) 13.579 11.482 ( 4.364 2.520 0.000) 5.039 11.620 ( 3.049 1.760 0.000) 3.521 11.754 ( -4.468 -2.580 0.000) 5.159 11.992 ( 5.836 3.369 0.000) 6.738 12.362 ( -2.408 -1.390 0.000) 2.780 12.405 ( -0.279 -0.161 0.000) 0.322 12.849 ( -21.871 -12.627 0.000) 25.255 12.898 ( 4.885 2.821 0.000) 5.641 13.044 ( -2.525 -1.458 0.000) 2.915 13.421 ( 10.521 6.074 0.000) 12.148 13.527 ( 2.815 1.625 0.000) 3.250 13.658 ( 8.268 4.773 0.000) 9.546 13.721 ( 17.745 10.245 0.000) 20.491 14.010 ( 1.212 0.700 0.000) 1.400 14.087 ( -1.108 -0.640 0.000) 1.280 14.182 ( 11.145 6.434 0.000) 12.869 14.509 ( -3.296 -1.903 0.000) 3.806 14.522 ( -1.541 -0.890 0.000) 1.779 14.670 ( -4.921 -2.841 0.000) 5.682 14.972 ( 1.709 0.987 0.000) 1.973 15.245 ( -3.141 -1.814 0.000) 3.627 15.402 ( -14.174 -8.184 0.000) 16.367 15.429 ( -0.236 -0.136 0.000) 0.273 15.702 ( -16.217 -9.363 0.000) 18.726 15.722 ( -18.975 -10.955 0.000) 21.911 15.969 ( -0.110 -0.063 0.000) 0.127 16.090 ( -16.482 -9.516 0.000) 19.032 16.286 ( -3.307 -1.909 0.000) 3.819 16.801 ( -7.780 -4.492 0.000) 8.983 17.608 ( -6.379 -3.683 0.000) 7.366 17.664 ( 3.815 2.203 0.000) 4.405 17.818 ( -11.253 -6.497 0.000) 12.994 17.984 ( 9.276 5.355 0.000) 10.711 18.662 ( -1.412 -0.815 0.000) 1.631 18.962 ( 0.023 0.014 0.000) 0.027 19.016 ( 4.685 2.705 0.000) 5.410 19.058 ( -3.213 -1.855 0.000) 3.710 19.644 ( 3.485 2.012 0.000) 4.025 19.730 ( 3.187 1.840 0.000) 3.681 20.029 ( 5.730 3.308 0.000) 6.617 20.156 ( 0.166 0.096 0.000) 0.192 20.219 ( 1.892 1.092 0.000) 2.185 20.443 ( 2.213 1.278 0.000) 2.555 20.454 ( -7.154 -4.130 0.000) 8.261 20.610 ( -2.156 -1.245 0.000) 2.489 20.794 ( 3.857 2.227 0.000) 4.454 21.233 ( 0.421 0.243 0.000) 0.486 21.526 ( -8.551 -4.937 0.000) 9.874 21.713 ( 3.249 1.876 0.000) 3.752 22.251 ( -2.480 -1.432 0.000) 2.864 22.397 ( -15.501 -8.949 0.000) 17.899 23.307 ( 4.217 2.434 0.000) 4.869 24.199 ( 5.649 3.262 0.000) 6.523 24.305 ( 5.148 2.972 0.000) 5.944 24.397 ( -1.297 -0.749 0.000) 1.498 24.682 ( 3.922 2.264 0.000) 4.529 26.067 ( 7.498 4.329 0.000) 8.658 27.416 ( -5.511 -3.182 0.000) 6.364 98.706 ( -0.588 -0.340 0.000) 0.679 99.205 ( -3.623 -2.092 0.000) 4.183 ======================= Grid point 5 (6/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.545 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.460 ( -0.000 -0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 10.208 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.424 ( -0.000 -0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 11.121 ( 0.000 0.000 0.000) 0.000 11.184 ( 0.000 0.000 0.000) 0.000 11.398 ( 0.000 0.000 0.000) 0.000 12.029 ( 0.000 0.000 0.000) 0.000 12.183 ( 0.000 0.000 0.000) 0.000 12.226 ( -0.000 -0.000 0.000) 0.000 12.242 ( 0.000 0.000 0.000) 0.000 12.568 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.062 ( 0.000 0.000 0.000) 0.000 13.516 ( 0.000 0.000 0.000) 0.000 13.739 ( -0.000 -0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 14.128 ( 0.000 0.000 0.000) 0.000 14.201 ( 0.000 0.000 0.000) 0.000 14.471 ( 0.000 0.000 0.000) 0.000 14.579 ( 0.000 0.000 0.000) 0.000 14.719 ( 0.000 0.000 0.000) 0.000 15.060 ( 0.000 0.000 0.000) 0.000 15.165 ( 0.000 0.000 0.000) 0.000 15.187 ( 0.000 0.000 0.000) 0.000 15.263 ( 0.000 0.000 0.000) 0.000 15.459 ( 0.000 0.000 0.000) 0.000 15.527 ( 0.000 0.000 0.000) 0.000 15.893 ( 0.000 0.000 0.000) 0.000 15.967 ( 0.000 0.000 0.000) 0.000 16.256 ( 0.000 0.000 0.000) 0.000 16.708 ( 0.000 0.000 0.000) 0.000 17.515 ( 0.000 0.000 0.000) 0.000 17.684 ( 0.000 0.000 0.000) 0.000 17.711 ( 0.000 0.000 0.000) 0.000 18.102 ( 0.000 0.000 0.000) 0.000 18.644 ( 0.000 0.000 0.000) 0.000 18.983 ( 0.000 0.000 0.000) 0.000 18.996 ( -0.000 -0.000 0.000) 0.000 19.100 ( 0.000 0.000 0.000) 0.000 19.597 ( 0.000 0.000 0.000) 0.000 19.839 ( 0.000 0.000 0.000) 0.000 20.134 ( 0.000 0.000 0.000) 0.000 20.153 ( 0.000 0.000 0.000) 0.000 20.304 ( 0.000 0.000 0.000) 0.000 20.309 ( 0.000 0.000 0.000) 0.000 20.461 ( 0.000 0.000 0.000) 0.000 20.582 ( 0.000 0.000 0.000) 0.000 20.848 ( 0.000 0.000 0.000) 0.000 21.284 ( 0.000 0.000 0.000) 0.000 21.349 ( 0.000 0.000 0.000) 0.000 21.758 ( 0.000 0.000 0.000) 0.000 22.132 ( 0.000 0.000 0.000) 0.000 22.284 ( 0.000 0.000 0.000) 0.000 23.360 ( 0.000 0.000 0.000) 0.000 24.292 ( 0.000 0.000 0.000) 0.000 24.358 ( 0.000 0.000 0.000) 0.000 24.367 ( 0.000 0.000 0.000) 0.000 24.729 ( 0.000 0.000 0.000) 0.000 26.164 ( 0.000 0.000 0.000) 0.000 27.344 ( 0.000 0.000 0.000) 0.000 98.699 ( 0.000 0.000 0.000) 0.000 99.160 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/56) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 24.751 42.871 0.000) 49.503 2.176 ( 30.599 52.999 0.000) 61.197 3.740 ( 49.321 85.427 0.000) 98.642 4.446 ( 12.822 22.209 0.000) 25.645 5.191 ( 26.597 46.068 0.000) 53.194 6.173 ( -1.518 -2.630 0.000) 3.037 6.695 ( 2.270 3.933 0.000) 4.541 6.808 ( -2.097 -3.631 0.000) 4.193 7.133 ( 6.675 11.562 0.000) 13.351 7.685 ( -1.343 -2.326 0.000) 2.686 7.849 ( -6.328 -10.961 0.000) 12.656 7.926 ( 1.402 2.429 0.000) 2.805 7.994 ( 5.146 8.913 0.000) 10.292 7.997 ( 8.130 14.082 0.000) 16.261 8.434 ( -1.060 -1.836 0.000) 2.120 9.015 ( -4.129 -7.151 0.000) 8.258 9.158 ( 0.166 0.288 0.000) 0.333 9.297 ( -3.725 -6.451 0.000) 7.449 9.341 ( 2.339 4.051 0.000) 4.678 9.897 ( -0.089 -0.154 0.000) 0.178 10.075 ( 10.634 18.419 0.000) 21.269 10.251 ( 7.982 13.826 0.000) 15.965 10.550 ( 13.149 22.775 0.000) 26.299 10.601 ( 6.966 12.066 0.000) 13.932 11.323 ( 1.225 2.122 0.000) 2.450 11.491 ( 2.732 4.731 0.000) 5.463 11.555 ( -0.295 -0.511 0.000) 0.590 11.861 ( 2.606 4.514 0.000) 5.213 11.874 ( 1.783 3.088 0.000) 3.566 11.978 ( 8.922 15.453 0.000) 17.844 12.718 ( -0.972 -1.683 0.000) 1.943 12.737 ( 1.356 2.349 0.000) 2.712 12.926 ( 8.995 15.579 0.000) 17.989 13.148 ( -6.068 -10.510 0.000) 12.136 13.233 ( 2.036 3.526 0.000) 4.072 13.349 ( -2.776 -4.808 0.000) 5.551 13.780 ( -1.566 -2.713 0.000) 3.133 14.216 ( -1.202 -2.082 0.000) 2.404 14.364 ( -5.828 -10.094 0.000) 11.656 14.414 ( 0.263 0.456 0.000) 0.526 14.472 ( 4.522 7.832 0.000) 9.043 14.702 ( 3.777 6.541 0.000) 7.553 14.748 ( -0.394 -0.682 0.000) 0.787 14.807 ( -0.201 -0.348 0.000) 0.402 15.598 ( -4.550 -7.882 0.000) 9.101 15.789 ( -7.896 -13.676 0.000) 15.792 15.875 ( 0.324 0.562 0.000) 0.649 15.991 ( 0.334 0.578 0.000) 0.668 16.364 ( -9.593 -16.616 0.000) 19.186 16.546 ( -15.291 -26.485 0.000) 30.583 16.658 ( 3.257 5.642 0.000) 6.515 17.192 ( 5.080 8.798 0.000) 10.159 17.218 ( -7.616 -13.192 0.000) 15.233 17.379 ( 1.266 2.192 0.000) 2.531 17.830 ( 9.611 16.648 0.000) 19.223 18.088 ( -9.910 -17.164 0.000) 19.819 18.350 ( -7.577 -13.124 0.000) 15.155 18.607 ( -6.747 -11.686 0.000) 13.494 19.123 ( -1.334 -2.311 0.000) 2.668 19.166 ( -0.093 -0.161 0.000) 0.186 19.210 ( -2.617 -4.532 0.000) 5.234 19.280 ( -1.510 -2.615 0.000) 3.020 19.761 ( 0.941 1.630 0.000) 1.882 19.955 ( -2.697 -4.672 0.000) 5.395 20.151 ( -0.303 -0.524 0.000) 0.605 20.219 ( -0.733 -1.270 0.000) 1.467 20.409 ( -3.316 -5.744 0.000) 6.633 20.512 ( 2.203 3.816 0.000) 4.406 20.760 ( 0.787 1.364 0.000) 1.574 20.824 ( -4.846 -8.393 0.000) 9.692 21.188 ( 2.561 4.436 0.000) 5.123 21.419 ( 5.060 8.765 0.000) 10.121 21.818 ( 2.309 4.000 0.000) 4.619 22.342 ( -4.107 -7.114 0.000) 8.214 22.893 ( 3.877 6.715 0.000) 7.753 23.561 ( -8.603 -14.902 0.000) 17.207 23.624 ( 6.270 10.860 0.000) 12.540 24.029 ( 0.906 1.569 0.000) 1.812 24.330 ( 4.900 8.488 0.000) 9.801 24.347 ( 2.771 4.799 0.000) 5.541 25.571 ( 4.177 7.235 0.000) 8.354 27.761 ( -3.307 -5.727 0.000) 6.613 98.755 ( -0.515 -0.891 0.000) 1.029 99.518 ( -3.514 -6.086 0.000) 7.028 ======================= Grid point 13 (8/56) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 33.029 37.876 0.000) 50.255 3.295 ( 34.445 48.360 0.000) 59.372 4.901 ( 16.101 26.432 0.000) 30.950 5.601 ( 58.887 66.711 0.000) 88.983 5.984 ( 7.719 3.518 0.000) 8.483 6.388 ( 27.963 35.953 0.000) 45.547 6.662 ( -5.058 -4.271 0.000) 6.620 6.852 ( 8.349 -1.471 0.000) 8.478 7.248 ( -5.141 5.267 0.000) 7.360 7.542 ( -6.036 -8.918 0.000) 10.768 7.654 ( -4.934 -0.354 0.000) 4.947 7.902 ( -4.370 -4.891 0.000) 6.559 8.231 ( 1.030 9.958 0.000) 10.011 8.271 ( 3.544 11.147 0.000) 11.697 8.418 ( 2.850 4.949 0.000) 5.711 8.879 ( -5.117 1.314 0.000) 5.283 9.159 ( 4.978 -4.182 0.000) 6.501 9.348 ( 14.747 4.035 0.000) 15.289 9.580 ( 18.130 1.619 0.000) 18.202 9.896 ( 7.567 -10.042 0.000) 12.574 10.390 ( 3.056 11.744 0.000) 12.135 10.503 ( 6.591 11.375 0.000) 13.146 10.834 ( 2.371 10.352 0.000) 10.620 11.057 ( 12.588 14.061 0.000) 18.872 11.231 ( 0.748 0.982 0.000) 1.234 11.517 ( -7.486 14.149 0.000) 16.007 11.783 ( 3.746 9.120 0.000) 9.860 11.929 ( 1.415 8.199 0.000) 8.320 12.023 ( 15.609 0.511 0.000) 15.617 12.297 ( 9.963 9.071 0.000) 13.474 12.703 ( -2.039 6.396 0.000) 6.713 12.856 ( 7.595 0.616 0.000) 7.620 12.990 ( 1.786 -1.309 0.000) 2.214 13.202 ( 2.639 -4.882 0.000) 5.550 13.312 ( 8.468 19.453 0.000) 21.217 13.471 ( 9.277 4.424 0.000) 10.278 13.641 ( -2.938 -13.625 0.000) 13.939 14.072 ( -9.725 -4.705 0.000) 10.803 14.163 ( -6.782 -8.186 0.000) 10.630 14.362 ( -8.555 1.732 0.000) 8.729 14.557 ( -5.745 -6.495 0.000) 8.671 14.654 ( 4.660 1.610 0.000) 4.930 14.755 ( -1.763 4.547 0.000) 4.877 14.951 ( 2.806 8.798 0.000) 9.235 15.477 ( -10.256 -13.241 0.000) 16.748 15.507 ( 0.731 -4.397 0.000) 4.457 15.820 ( -9.548 -7.412 0.000) 12.087 15.902 ( -7.840 -18.877 0.000) 20.440 15.975 ( -0.702 -6.268 0.000) 6.307 16.139 ( -6.015 -14.251 0.000) 15.468 16.725 ( -3.036 0.161 0.000) 3.041 16.784 ( -19.229 -11.678 0.000) 22.497 17.379 ( 1.078 -1.925 0.000) 2.206 17.479 ( 3.356 2.383 0.000) 4.116 17.587 ( -19.026 -10.445 0.000) 21.705 17.889 ( -5.813 -6.659 0.000) 8.839 18.147 ( -1.977 -11.841 0.000) 12.005 18.586 ( 7.080 0.401 0.000) 7.091 18.990 ( -6.331 -0.010 0.000) 6.331 19.145 ( -0.117 -4.273 0.000) 4.274 19.201 ( -3.915 7.452 0.000) 8.418 19.255 ( 3.940 0.490 0.000) 3.970 19.799 ( 0.933 1.589 0.000) 1.843 19.880 ( -0.191 -3.778 0.000) 3.783 20.129 ( 0.076 -1.964 0.000) 1.966 20.195 ( -0.739 -2.390 0.000) 2.501 20.337 ( 0.623 -3.058 0.000) 3.121 20.575 ( 2.229 0.107 0.000) 2.232 20.704 ( -1.790 -3.545 0.000) 3.972 20.790 ( -1.655 5.265 0.000) 5.519 21.272 ( 0.160 6.202 0.000) 6.204 21.546 ( 3.366 2.092 0.000) 3.963 21.834 ( -6.231 4.183 0.000) 7.504 22.222 ( 0.620 -8.028 0.000) 8.051 23.020 ( -4.105 2.528 0.000) 4.821 23.174 ( -6.851 -16.375 0.000) 17.750 23.852 ( 10.238 2.212 0.000) 10.475 24.072 ( 3.898 1.501 0.000) 4.177 24.453 ( 0.422 10.048 0.000) 10.057 24.552 ( 5.744 11.189 0.000) 12.577 25.757 ( 7.417 8.126 0.000) 11.002 27.612 ( -5.094 -8.100 0.000) 9.569 98.734 ( -0.757 -0.890 0.000) 1.169 99.377 ( -4.931 -5.775 0.000) 7.594 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 34.183 32.810 0.000) 47.381 4.370 ( 31.602 43.958 0.000) 54.139 5.419 ( 10.160 27.090 0.000) 28.933 5.957 ( -5.983 0.937 0.000) 6.055 6.451 ( -10.827 -9.913 0.000) 14.680 6.788 ( 3.030 8.161 0.000) 8.705 7.007 ( 0.662 -0.481 0.000) 0.818 7.194 ( -11.685 0.652 0.000) 11.703 7.297 ( 24.075 11.424 0.000) 26.648 7.472 ( 18.292 16.356 0.000) 24.538 7.709 ( 11.132 12.368 0.000) 16.640 7.833 ( 11.105 15.072 0.000) 18.722 8.134 ( -12.112 10.801 0.000) 16.228 8.443 ( 0.613 13.408 0.000) 13.422 8.592 ( 8.904 -1.481 0.000) 9.026 8.914 ( 2.207 13.809 0.000) 13.984 9.395 ( 26.991 -13.706 0.000) 30.271 9.709 ( 18.544 3.645 0.000) 18.899 9.871 ( 15.211 -12.310 0.000) 19.568 10.097 ( 20.331 4.261 0.000) 20.773 10.407 ( -4.870 -3.166 0.000) 5.808 10.632 ( 4.620 -7.608 0.000) 8.901 10.924 ( -13.539 -4.026 0.000) 14.125 10.969 ( -2.069 19.134 0.000) 19.245 11.498 ( -1.817 12.201 0.000) 12.336 11.643 ( 4.257 17.964 0.000) 18.462 11.880 ( -3.277 8.778 0.000) 9.369 12.039 ( 0.827 9.971 0.000) 10.005 12.328 ( 9.618 4.789 0.000) 10.745 12.471 ( -0.533 3.641 0.000) 3.680 12.791 ( 5.651 -0.062 0.000) 5.652 12.930 ( -0.786 -0.920 0.000) 1.210 13.071 ( 1.807 -6.475 0.000) 6.722 13.173 ( -1.612 -21.390 0.000) 21.451 13.397 ( 15.250 3.452 0.000) 15.636 13.598 ( 4.904 8.840 0.000) 10.109 13.827 ( -12.455 7.150 0.000) 14.362 13.920 ( 13.655 6.082 0.000) 14.948 13.947 ( 0.655 -3.995 0.000) 4.048 14.255 ( -4.014 6.053 0.000) 7.263 14.479 ( -0.973 -1.116 0.000) 1.481 14.568 ( -4.426 -6.501 0.000) 7.865 14.887 ( -5.743 10.525 0.000) 11.990 14.949 ( -0.906 -0.769 0.000) 1.188 15.227 ( -3.037 -9.272 0.000) 9.756 15.442 ( -3.877 -8.048 0.000) 8.933 15.484 ( -7.410 -10.214 0.000) 12.618 15.683 ( -3.139 -13.853 0.000) 14.204 15.891 ( -2.859 -10.807 0.000) 11.179 15.995 ( -1.892 -2.153 0.000) 2.866 16.260 ( -21.119 -6.611 0.000) 22.129 16.617 ( -18.909 5.033 0.000) 19.567 16.923 ( -16.492 -10.159 0.000) 19.370 17.469 ( 0.844 -10.953 0.000) 10.985 17.576 ( 7.738 -13.570 0.000) 15.621 17.818 ( 6.973 -11.502 0.000) 13.450 17.942 ( -8.815 1.160 0.000) 8.891 18.669 ( 1.604 3.216 0.000) 3.594 18.932 ( -2.908 2.721 0.000) 3.982 19.088 ( -3.972 0.030 0.000) 3.972 19.238 ( -1.540 11.464 0.000) 11.567 19.483 ( 13.527 7.130 0.000) 15.291 19.747 ( -4.529 -3.209 0.000) 5.551 19.929 ( 6.415 -1.072 0.000) 6.504 20.100 ( 2.406 -9.738 0.000) 10.031 20.162 ( -0.383 0.574 0.000) 0.690 20.347 ( 1.514 -0.706 0.000) 1.670 20.597 ( 1.375 -1.282 0.000) 1.880 20.684 ( -3.093 8.080 0.000) 8.652 20.807 ( -1.696 4.024 0.000) 4.367 21.290 ( -3.967 4.267 0.000) 5.826 21.622 ( 3.580 0.104 0.000) 3.581 21.696 ( -9.580 -0.385 0.000) 9.587 22.188 ( 3.733 -7.853 0.000) 8.695 22.571 ( -18.586 -17.721 0.000) 25.680 23.247 ( 5.549 3.724 0.000) 6.683 24.034 ( 9.508 -1.207 0.000) 9.584 24.175 ( 6.265 -1.391 0.000) 6.417 24.544 ( -3.047 11.618 0.000) 12.011 24.736 ( 1.516 11.247 0.000) 11.348 25.982 ( 8.025 7.143 0.000) 10.743 27.428 ( -4.347 -10.027 0.000) 10.928 98.712 ( -0.635 -0.679 0.000) 0.930 99.242 ( -3.971 -4.171 0.000) 5.759 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.458 ( 20.608 21.961 0.000) 30.116 5.285 ( 22.526 35.216 0.000) 41.804 5.742 ( -7.673 13.586 0.000) 15.602 5.805 ( -6.892 5.708 0.000) 8.949 6.052 ( -19.938 -7.850 0.000) 21.428 6.806 ( -10.655 2.477 0.000) 10.939 6.825 ( -3.273 2.456 0.000) 4.092 6.926 ( -8.696 -2.580 0.000) 9.070 7.390 ( 3.947 -1.984 0.000) 4.418 7.500 ( -7.558 -0.518 0.000) 7.576 8.009 ( -10.042 15.134 0.000) 18.163 8.390 ( 14.751 -0.920 0.000) 14.780 8.537 ( 7.884 13.157 0.000) 15.338 8.595 ( 10.528 10.126 0.000) 14.607 8.739 ( 13.168 9.668 0.000) 16.336 9.278 ( 7.118 12.712 0.000) 14.569 9.666 ( 24.255 -26.310 0.000) 35.785 9.940 ( 7.223 -19.224 0.000) 20.536 10.078 ( 19.526 6.114 0.000) 20.461 10.210 ( 3.874 -5.944 0.000) 7.095 10.448 ( 4.015 5.269 0.000) 6.625 10.560 ( -3.243 3.686 0.000) 4.909 10.870 ( 5.072 1.511 0.000) 5.292 11.107 ( -0.842 14.693 0.000) 14.717 11.425 ( -20.060 -0.884 0.000) 20.080 11.509 ( -25.631 -11.595 0.000) 28.131 11.919 ( 9.201 11.954 0.000) 15.085 12.153 ( 0.336 7.744 0.000) 7.752 12.263 ( -6.659 -4.360 0.000) 7.959 12.407 ( -8.260 0.272 0.000) 8.265 12.839 ( -1.756 11.204 0.000) 11.341 12.911 ( 1.451 -2.996 0.000) 3.329 13.041 ( 5.562 1.995 0.000) 5.909 13.335 ( 16.745 -5.992 0.000) 17.785 13.469 ( -2.497 -9.320 0.000) 9.649 13.744 ( 14.010 -9.204 0.000) 16.763 13.875 ( 3.370 6.168 0.000) 7.028 13.981 ( -3.825 -7.443 0.000) 8.368 14.046 ( 1.979 0.645 0.000) 2.082 14.304 ( -0.653 10.680 0.000) 10.700 14.458 ( -1.047 0.614 0.000) 1.214 14.634 ( 4.911 9.588 0.000) 10.772 14.798 ( -4.945 9.855 0.000) 11.026 15.005 ( 3.058 1.572 0.000) 3.438 15.100 ( -2.468 -10.545 0.000) 10.830 15.225 ( -1.919 -2.772 0.000) 3.372 15.431 ( -2.256 -0.962 0.000) 2.452 15.515 ( -8.912 -4.965 0.000) 10.202 15.568 ( -11.584 -2.760 0.000) 11.909 15.906 ( -4.549 -5.495 0.000) 7.134 16.053 ( -4.998 4.746 0.000) 6.892 16.285 ( -8.457 -3.978 0.000) 9.346 16.738 ( -3.523 -0.747 0.000) 3.601 17.354 ( 2.700 -13.519 0.000) 13.786 17.491 ( 6.690 -19.091 0.000) 20.229 17.841 ( 11.741 -17.455 0.000) 21.036 17.902 ( -6.312 10.758 0.000) 12.473 18.761 ( 1.861 5.618 0.000) 5.919 18.930 ( -1.940 5.948 0.000) 6.257 19.005 ( -5.786 1.133 0.000) 5.896 19.362 ( -2.273 15.926 0.000) 16.088 19.618 ( -4.926 -2.872 0.000) 5.702 19.732 ( 7.761 -0.570 0.000) 7.782 20.030 ( 7.371 -9.965 0.000) 12.395 20.050 ( 4.646 -5.629 0.000) 7.299 20.179 ( 1.236 -0.341 0.000) 1.282 20.351 ( -1.886 2.530 0.000) 3.155 20.620 ( 0.213 3.727 0.000) 3.734 20.699 ( -7.685 9.731 0.000) 12.400 20.840 ( 1.177 3.355 0.000) 3.555 21.283 ( 0.614 4.215 0.000) 4.259 21.452 ( -11.571 -2.754 0.000) 11.895 21.713 ( 4.063 -2.157 0.000) 4.599 22.150 ( -3.629 -6.668 0.000) 7.592 22.203 ( 0.590 -10.578 0.000) 10.594 23.347 ( 1.993 1.731 0.000) 2.640 24.158 ( 6.970 -4.304 0.000) 8.192 24.237 ( 3.203 -3.458 0.000) 4.713 24.584 ( -5.561 11.401 0.000) 12.685 24.833 ( -2.926 9.757 0.000) 10.186 26.153 ( 3.194 4.340 0.000) 5.389 27.283 ( 0.646 -9.675 0.000) 9.696 98.699 ( -0.196 -0.339 0.000) 0.392 99.161 ( -1.230 -1.974 0.000) 2.326 ======================= Grid point 23 (11/56) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( 24.254 42.008 0.000) 48.507 4.337 ( 29.136 50.466 0.000) 58.273 5.507 ( 17.041 29.516 0.000) 34.082 6.019 ( 0.214 0.371 0.000) 0.428 6.491 ( -5.621 -9.736 0.000) 11.242 6.787 ( 14.672 25.412 0.000) 29.343 6.972 ( 6.476 11.217 0.000) 12.952 7.086 ( 12.957 22.442 0.000) 25.914 7.302 ( 12.251 21.219 0.000) 24.501 7.331 ( -4.965 -8.600 0.000) 9.931 7.801 ( 5.723 9.913 0.000) 11.447 7.921 ( 5.657 9.798 0.000) 11.314 8.396 ( 0.027 0.046 0.000) 0.053 8.455 ( 4.061 7.035 0.000) 8.123 8.497 ( 4.160 7.205 0.000) 8.320 8.884 ( -0.951 -1.647 0.000) 1.902 9.151 ( 4.820 8.349 0.000) 9.641 9.432 ( 2.015 3.490 0.000) 4.030 9.697 ( 2.241 3.882 0.000) 4.482 9.826 ( 5.503 9.531 0.000) 11.005 10.440 ( -3.307 -5.729 0.000) 6.615 10.563 ( -2.523 -4.369 0.000) 5.045 11.032 ( -2.853 -4.942 0.000) 5.707 11.084 ( 7.882 13.651 0.000) 15.763 11.645 ( 13.328 23.085 0.000) 26.656 11.730 ( 2.524 4.372 0.000) 5.048 11.989 ( 4.281 7.415 0.000) 8.562 12.104 ( 3.261 5.648 0.000) 6.521 12.220 ( 12.118 20.989 0.000) 24.236 12.378 ( 0.854 1.478 0.000) 1.707 12.812 ( -1.393 -2.413 0.000) 2.786 12.914 ( 5.049 8.744 0.000) 10.097 13.032 ( -3.393 -5.877 0.000) 6.786 13.098 ( -2.082 -3.605 0.000) 4.163 13.208 ( -7.809 -13.526 0.000) 15.618 13.588 ( 4.170 7.223 0.000) 8.340 13.797 ( 6.705 11.613 0.000) 13.410 13.908 ( 3.181 5.511 0.000) 6.363 14.090 ( -5.229 -9.056 0.000) 10.457 14.311 ( -0.491 -0.850 0.000) 0.982 14.522 ( 2.025 3.508 0.000) 4.050 14.551 ( -6.163 -10.674 0.000) 12.326 14.878 ( 3.840 6.650 0.000) 7.679 15.088 ( -4.426 -7.666 0.000) 8.852 15.268 ( 1.198 2.075 0.000) 2.395 15.284 ( -9.730 -16.853 0.000) 19.461 15.524 ( -3.191 -5.527 0.000) 6.382 15.707 ( -4.584 -7.940 0.000) 9.168 15.758 ( -7.705 -13.345 0.000) 15.409 16.013 ( -0.416 -0.721 0.000) 0.833 16.469 ( -8.497 -14.718 0.000) 16.995 16.790 ( 0.943 1.633 0.000) 1.886 17.171 ( -15.186 -26.302 0.000) 30.371 17.331 ( -5.116 -8.862 0.000) 10.233 17.431 ( -4.818 -8.345 0.000) 9.636 17.597 ( -6.573 -11.384 0.000) 13.145 18.054 ( 1.004 1.740 0.000) 2.009 18.673 ( 2.206 3.821 0.000) 4.413 19.036 ( -2.025 -3.508 0.000) 4.051 19.087 ( 3.243 5.617 0.000) 6.486 19.233 ( 2.185 3.784 0.000) 4.369 19.467 ( 6.953 12.043 0.000) 13.906 19.782 ( -1.973 -3.417 0.000) 3.946 19.835 ( 0.558 0.966 0.000) 1.116 20.029 ( -3.530 -6.114 0.000) 7.060 20.171 ( -0.586 -1.014 0.000) 1.171 20.318 ( 1.162 2.013 0.000) 2.324 20.582 ( 0.317 0.549 0.000) 0.634 20.739 ( 3.464 6.000 0.000) 6.928 20.858 ( 0.471 0.816 0.000) 0.943 21.391 ( 2.567 4.446 0.000) 5.134 21.540 ( -0.909 -1.575 0.000) 1.818 21.883 ( -1.093 -1.893 0.000) 2.186 22.029 ( -4.851 -8.402 0.000) 9.702 22.656 ( -13.943 -24.149 0.000) 27.885 23.210 ( 4.134 7.160 0.000) 8.268 23.931 ( 2.798 4.847 0.000) 5.597 24.104 ( 1.483 2.569 0.000) 2.967 24.657 ( 4.739 8.209 0.000) 9.479 24.775 ( 5.552 9.617 0.000) 11.105 25.946 ( 5.805 10.055 0.000) 11.610 27.406 ( -6.592 -11.418 0.000) 13.184 98.715 ( -0.513 -0.889 0.000) 1.027 99.256 ( -3.181 -5.510 0.000) 6.362 ======================= Grid point 24 (12/56) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 24.054 34.425 0.000) 41.996 5.305 ( 22.725 43.089 0.000) 48.714 5.926 ( -8.627 -6.598 0.000) 10.861 6.006 ( 4.627 24.375 0.000) 24.810 6.306 ( -8.051 -0.939 0.000) 8.106 6.895 ( -4.265 1.610 0.000) 4.558 6.942 ( -6.301 0.043 0.000) 6.301 7.103 ( -0.859 -3.224 0.000) 3.337 7.329 ( -3.812 -1.120 0.000) 3.973 7.794 ( -8.854 14.168 0.000) 16.707 8.109 ( 15.184 13.054 0.000) 20.024 8.290 ( 4.889 21.933 0.000) 22.471 8.403 ( 2.818 15.335 0.000) 15.592 8.568 ( 8.965 0.093 0.000) 8.965 8.771 ( 13.864 1.701 0.000) 13.968 8.951 ( 9.760 -6.281 0.000) 11.606 9.331 ( 2.219 3.421 0.000) 4.078 9.577 ( 16.714 6.296 0.000) 17.860 9.837 ( 10.466 2.044 0.000) 10.664 10.069 ( 6.571 -5.738 0.000) 8.724 10.326 ( 7.889 -10.653 0.000) 13.256 10.464 ( 2.494 4.610 0.000) 5.242 10.918 ( -7.570 2.196 0.000) 7.882 11.394 ( 3.219 21.039 0.000) 21.284 11.688 ( -9.660 0.623 0.000) 9.680 11.874 ( -19.610 -5.032 0.000) 20.246 12.015 ( -5.019 8.922 0.000) 10.237 12.183 ( 3.082 2.842 0.000) 4.192 12.382 ( -5.446 -5.089 0.000) 7.454 12.526 ( 1.695 6.901 0.000) 7.106 12.611 ( 7.412 -14.944 0.000) 16.682 12.849 ( -1.242 5.210 0.000) 5.356 12.997 ( 2.521 -3.096 0.000) 3.993 13.091 ( 7.253 0.618 0.000) 7.279 13.297 ( 14.652 -15.783 0.000) 21.536 13.650 ( -14.055 1.953 0.000) 14.190 13.849 ( 6.057 1.594 0.000) 6.263 13.854 ( 4.830 -1.317 0.000) 5.006 14.240 ( -12.659 2.282 0.000) 12.863 14.379 ( 10.084 20.288 0.000) 22.655 14.506 ( 0.534 2.749 0.000) 2.801 14.617 ( 8.950 11.808 0.000) 14.817 14.879 ( -1.479 -5.346 0.000) 5.547 14.977 ( 1.720 0.285 0.000) 1.743 15.023 ( -1.780 -9.274 0.000) 9.444 15.342 ( -8.539 6.073 0.000) 10.479 15.442 ( -4.902 -5.548 0.000) 7.404 15.488 ( 2.286 -2.137 0.000) 3.129 15.668 ( 1.669 -8.174 0.000) 8.342 15.971 ( -5.741 -0.781 0.000) 5.794 16.188 ( -9.009 -4.382 0.000) 10.018 16.509 ( -25.007 -19.307 0.000) 31.593 16.801 ( -2.727 0.722 0.000) 2.821 17.172 ( 4.416 -17.660 0.000) 18.204 17.218 ( -3.377 -13.755 0.000) 14.163 17.460 ( 4.984 -17.039 0.000) 17.753 18.102 ( -2.455 8.273 0.000) 8.630 18.763 ( 3.225 4.579 0.000) 5.600 18.959 ( -3.067 -0.808 0.000) 3.172 19.203 ( 0.728 8.006 0.000) 8.039 19.368 ( 4.876 5.151 0.000) 7.093 19.588 ( 0.829 -3.542 0.000) 3.637 19.811 ( -1.175 12.382 0.000) 12.438 19.843 ( 1.247 -6.504 0.000) 6.622 19.942 ( 2.974 -3.027 0.000) 4.244 20.156 ( 0.446 -1.450 0.000) 1.517 20.390 ( 1.710 4.260 0.000) 4.590 20.610 ( 2.370 1.698 0.000) 2.916 20.824 ( -3.495 -1.703 0.000) 3.888 20.914 ( 3.780 13.224 0.000) 13.754 21.380 ( -6.608 3.980 0.000) 7.715 21.571 ( 7.016 -5.133 0.000) 8.693 21.679 ( -15.613 -1.593 0.000) 15.694 21.958 ( 6.662 -14.131 0.000) 15.622 22.215 ( -10.236 -14.522 0.000) 17.766 23.336 ( 2.708 4.319 0.000) 5.098 24.036 ( 4.610 1.585 0.000) 4.874 24.159 ( 2.520 -0.218 0.000) 2.529 24.772 ( -1.976 9.579 0.000) 9.780 24.933 ( 2.335 6.797 0.000) 7.187 26.159 ( 5.083 10.595 0.000) 11.751 27.167 ( -3.803 -14.958 0.000) 15.434 98.699 ( -0.317 -0.549 0.000) 0.634 99.163 ( -1.923 -3.235 0.000) 3.763 ======================= Grid point 25 (13/56) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.850 ( -8.373 14.502 0.000) 16.745 5.633 ( 1.435 -2.485 0.000) 2.870 5.991 ( -5.133 8.890 0.000) 10.266 6.037 ( -8.593 14.884 0.000) 17.187 6.230 ( -10.834 18.765 0.000) 21.668 6.855 ( -0.513 0.889 0.000) 1.026 6.864 ( -5.061 8.766 0.000) 10.122 7.065 ( -6.964 12.062 0.000) 13.928 7.260 ( 2.739 -4.744 0.000) 5.478 7.742 ( -10.329 17.891 0.000) 20.659 8.336 ( 1.532 -2.654 0.000) 3.064 8.344 ( -9.550 16.541 0.000) 19.100 8.557 ( 5.543 -9.601 0.000) 11.086 8.801 ( -2.954 5.117 0.000) 5.908 8.888 ( 0.164 -0.284 0.000) 0.328 9.002 ( 15.928 -27.588 0.000) 31.856 9.445 ( 12.659 -21.926 0.000) 25.318 9.465 ( -5.859 10.147 0.000) 11.717 10.067 ( 4.864 -8.425 0.000) 9.728 10.234 ( 6.092 -10.552 0.000) 12.184 10.462 ( -0.789 1.366 0.000) 1.577 10.863 ( -9.246 16.014 0.000) 18.492 10.916 ( -6.975 12.082 0.000) 13.951 10.960 ( 5.055 -8.755 0.000) 10.109 11.514 ( -1.644 2.847 0.000) 3.287 11.620 ( -10.334 17.900 0.000) 20.669 12.079 ( -2.293 3.972 0.000) 4.586 12.233 ( 3.480 -6.027 0.000) 6.960 12.324 ( -5.451 9.442 0.000) 10.903 12.452 ( -1.446 2.504 0.000) 2.891 12.701 ( 8.142 -14.102 0.000) 16.284 12.915 ( 4.639 -8.034 0.000) 9.277 13.022 ( 1.461 -2.531 0.000) 2.923 13.235 ( 2.536 -4.393 0.000) 5.072 13.262 ( 10.270 -17.788 0.000) 20.540 13.502 ( -1.774 3.073 0.000) 3.548 13.833 ( 3.354 -5.810 0.000) 6.709 14.075 ( -2.490 4.313 0.000) 4.981 14.090 ( -6.996 12.118 0.000) 13.993 14.441 ( 0.697 -1.207 0.000) 1.393 14.640 ( -8.883 15.386 0.000) 17.766 14.747 ( -1.007 1.744 0.000) 2.013 14.933 ( -0.098 0.169 0.000) 0.195 14.962 ( -2.109 3.654 0.000) 4.219 15.142 ( -2.022 3.502 0.000) 4.044 15.162 ( 1.975 -3.421 0.000) 3.950 15.425 ( -2.169 3.758 0.000) 4.339 15.557 ( -3.110 5.386 0.000) 6.219 15.568 ( -0.413 0.716 0.000) 0.827 15.803 ( 1.427 -2.472 0.000) 2.854 16.095 ( 6.519 -11.291 0.000) 13.038 16.141 ( -0.474 0.822 0.000) 0.949 16.767 ( -1.474 2.552 0.000) 2.947 17.110 ( 5.184 -8.979 0.000) 10.369 17.126 ( 8.027 -13.904 0.000) 16.054 17.413 ( 11.231 -19.453 0.000) 22.462 18.124 ( -5.097 8.829 0.000) 10.194 18.837 ( -2.175 3.767 0.000) 4.350 18.917 ( 1.263 -2.187 0.000) 2.526 19.262 ( -6.172 10.690 0.000) 12.344 19.443 ( 2.049 -3.550 0.000) 4.099 19.553 ( 0.856 -1.482 0.000) 1.711 19.801 ( 4.513 -7.817 0.000) 9.027 19.866 ( -4.756 8.237 0.000) 9.511 19.998 ( -0.519 0.899 0.000) 1.038 20.151 ( 1.655 -2.867 0.000) 3.310 20.430 ( -2.485 4.304 0.000) 4.970 20.707 ( 2.059 -3.567 0.000) 4.119 20.720 ( -1.942 3.364 0.000) 3.885 21.049 ( -7.211 12.490 0.000) 14.423 21.396 ( -0.668 1.157 0.000) 1.336 21.413 ( -3.014 5.220 0.000) 6.027 21.613 ( 4.214 -7.298 0.000) 8.427 21.941 ( 8.169 -14.149 0.000) 16.338 22.048 ( 1.661 -2.876 0.000) 3.321 23.384 ( -0.982 1.701 0.000) 1.964 24.095 ( 0.819 -1.419 0.000) 1.638 24.178 ( 1.426 -2.470 0.000) 2.852 24.800 ( -5.269 9.126 0.000) 10.537 24.990 ( -2.318 4.015 0.000) 4.637 26.279 ( -4.869 8.433 0.000) 9.737 27.034 ( 7.778 -13.471 0.000) 15.555 98.693 ( 0.121 -0.209 0.000) 0.241 99.128 ( 0.672 -1.163 0.000) 1.343 ======================= Grid point 35 (14/56) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.004 ( 16.370 28.353 0.000) 32.740 5.602 ( -10.434 -18.071 0.000) 20.867 6.040 ( 11.987 20.763 0.000) 23.975 6.264 ( 0.468 0.810 0.000) 0.935 6.356 ( 1.082 1.875 0.000) 2.165 6.858 ( -1.071 -1.855 0.000) 2.142 7.121 ( 6.497 11.253 0.000) 12.994 7.164 ( 5.463 9.462 0.000) 10.926 7.301 ( -2.022 -3.503 0.000) 4.045 8.072 ( 5.837 10.110 0.000) 11.674 8.299 ( 2.995 5.187 0.000) 5.990 8.337 ( -6.786 -11.754 0.000) 13.573 8.427 ( -6.865 -11.891 0.000) 13.730 8.607 ( 5.684 9.845 0.000) 11.368 8.808 ( 4.985 8.635 0.000) 9.971 9.069 ( 0.429 0.744 0.000) 0.859 9.110 ( -4.140 -7.171 0.000) 8.281 9.689 ( -3.549 -6.147 0.000) 7.098 9.956 ( 0.426 0.739 0.000) 0.853 9.997 ( -1.045 -1.811 0.000) 2.091 10.425 ( 14.280 24.733 0.000) 28.559 10.705 ( 6.360 11.016 0.000) 12.720 11.109 ( 12.255 21.226 0.000) 24.509 11.309 ( -12.898 -22.341 0.000) 25.797 11.724 ( -8.728 -15.118 0.000) 17.457 11.842 ( 9.778 16.935 0.000) 19.555 11.868 ( -9.941 -17.218 0.000) 19.882 12.218 ( -5.904 -10.226 0.000) 11.808 12.308 ( 1.649 2.856 0.000) 3.298 12.466 ( 0.283 0.489 0.000) 0.565 12.550 ( -1.924 -3.333 0.000) 3.848 12.780 ( -3.017 -5.226 0.000) 6.034 13.070 ( 2.741 4.747 0.000) 5.481 13.086 ( 0.555 0.961 0.000) 1.109 13.104 ( 0.440 0.763 0.000) 0.881 13.629 ( -2.943 -5.098 0.000) 5.887 13.694 ( -2.349 -4.069 0.000) 4.698 14.129 ( 8.326 14.422 0.000) 16.653 14.294 ( 0.750 1.299 0.000) 1.500 14.402 ( -3.899 -6.754 0.000) 7.799 14.741 ( 2.351 4.072 0.000) 4.702 14.882 ( 3.148 5.452 0.000) 6.296 14.900 ( -0.122 -0.212 0.000) 0.244 14.984 ( 6.622 11.470 0.000) 13.244 15.126 ( 8.700 15.069 0.000) 17.400 15.237 ( 0.755 1.308 0.000) 1.510 15.440 ( -1.963 -3.400 0.000) 3.926 15.541 ( 2.360 4.088 0.000) 4.720 15.592 ( 0.145 0.251 0.000) 0.290 15.892 ( -16.551 -28.667 0.000) 33.102 15.955 ( -0.611 -1.057 0.000) 1.221 16.085 ( -6.015 -10.418 0.000) 12.029 16.803 ( -0.646 -1.119 0.000) 1.293 16.980 ( -0.541 -0.938 0.000) 1.083 17.021 ( -2.705 -4.686 0.000) 5.411 17.175 ( -5.381 -9.320 0.000) 10.762 18.224 ( 1.756 3.042 0.000) 3.513 18.861 ( 2.701 4.679 0.000) 5.403 18.932 ( -1.123 -1.945 0.000) 2.246 19.248 ( -0.753 -1.304 0.000) 1.505 19.508 ( 2.060 3.569 0.000) 4.121 19.526 ( -0.096 -0.166 0.000) 0.192 19.728 ( -1.947 -3.373 0.000) 3.894 19.936 ( 2.550 4.416 0.000) 5.100 20.048 ( 2.914 5.047 0.000) 5.828 20.102 ( -1.833 -3.175 0.000) 3.667 20.497 ( 3.056 5.293 0.000) 6.112 20.626 ( -0.881 -1.526 0.000) 1.763 20.772 ( -0.807 -1.397 0.000) 1.613 21.209 ( 7.716 13.365 0.000) 15.432 21.423 ( -1.303 -2.257 0.000) 2.606 21.453 ( -0.834 -1.444 0.000) 1.668 21.631 ( -5.473 -9.480 0.000) 10.946 21.659 ( -3.482 -6.031 0.000) 6.964 22.023 ( -2.475 -4.288 0.000) 4.951 23.404 ( 1.086 1.882 0.000) 2.173 24.087 ( 1.579 2.736 0.000) 3.159 24.146 ( -0.767 -1.328 0.000) 1.533 24.924 ( 2.756 4.774 0.000) 5.512 25.003 ( 0.210 0.364 0.000) 0.420 26.423 ( 8.012 13.877 0.000) 16.024 26.837 ( -8.948 -15.499 0.000) 17.896 98.691 ( -0.121 -0.209 0.000) 0.242 99.116 ( -0.695 -1.204 0.000) 1.391 ======================= Grid point 109 (15/56) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -0.000 0.000 48.152) 48.152 0.932 ( 0.000 -0.000 48.152) 48.152 1.865 ( -0.000 -0.000 96.673) 96.673 3.800 ( 0.000 -0.000 -19.848) 19.848 3.800 ( 0.000 0.000 -19.848) 19.848 6.363 ( 0.000 0.000 1.881) 1.881 6.363 ( 0.000 -0.000 1.881) 1.881 6.764 ( -0.000 0.000 -2.782) 2.782 6.764 ( 0.000 -0.000 -2.782) 2.782 7.473 ( -0.000 -0.000 -30.164) 30.164 7.508 ( 0.000 0.000 0.589) 0.589 7.599 ( 0.000 0.000 -0.877) 0.877 8.125 ( -0.000 0.000 4.873) 4.873 8.125 ( 0.000 0.000 4.873) 4.873 9.123 ( 0.000 0.000 -15.228) 15.228 9.123 ( 0.000 -0.000 -15.228) 15.228 9.248 ( 0.000 0.000 5.757) 5.757 9.401 ( 0.000 0.000 13.649) 13.649 9.401 ( 0.000 0.000 13.649) 13.649 9.854 ( 0.000 0.000 9.971) 9.971 9.854 ( 0.000 -0.000 9.971) 9.971 9.932 ( -0.000 0.000 4.726) 4.726 9.932 ( -0.000 -0.000 4.726) 4.726 10.158 ( 0.000 -0.000 -19.440) 19.440 11.086 ( 0.000 0.000 5.127) 5.127 11.578 ( 0.000 -0.000 -2.559) 2.559 11.578 ( 0.000 0.000 -2.559) 2.559 11.729 ( 0.000 0.000 -5.138) 5.138 12.052 ( 0.000 0.000 22.615) 22.615 12.385 ( 0.000 -0.000 -11.733) 11.733 12.385 ( 0.000 -0.000 -11.733) 11.733 12.735 ( 0.000 -0.000 -5.818) 5.818 12.735 ( 0.000 -0.000 -5.818) 5.818 13.411 ( -0.000 0.000 -6.714) 6.714 13.531 ( 0.000 0.000 7.032) 7.032 13.773 ( 0.000 -0.000 -0.051) 0.051 13.773 ( 0.000 0.000 -0.051) 0.051 14.208 ( 0.000 0.000 -4.194) 4.194 14.208 ( 0.000 -0.000 -4.194) 4.194 14.456 ( 0.000 0.000 -10.181) 10.181 14.693 ( -0.000 0.000 3.921) 3.921 14.693 ( 0.000 0.000 3.921) 3.921 14.729 ( -0.000 -0.000 1.300) 1.300 14.729 ( 0.000 0.000 1.300) 1.300 15.887 ( -0.000 0.000 2.926) 2.926 15.887 ( 0.000 -0.000 2.926) 2.926 15.963 ( 0.000 0.000 1.213) 1.213 15.963 ( 0.000 0.000 1.213) 1.213 16.795 ( 0.000 -0.000 9.585) 9.585 16.795 ( 0.000 0.000 9.585) 9.585 16.924 ( -0.000 0.000 -2.353) 2.353 16.966 ( 0.000 -0.000 2.091) 2.091 17.091 ( 0.000 -0.000 -3.648) 3.648 17.205 ( 0.000 0.000 -1.733) 1.733 17.558 ( 0.000 0.000 -4.226) 4.226 17.558 ( 0.000 -0.000 -4.226) 4.226 18.866 ( 0.000 -0.000 11.523) 11.523 19.064 ( -0.000 -0.000 -0.740) 0.740 19.064 ( 0.000 -0.000 -0.740) 0.740 19.273 ( -0.000 -0.000 -4.016) 4.016 19.273 ( 0.000 -0.000 -4.016) 4.016 19.500 ( 0.000 0.000 9.623) 9.623 20.180 ( 0.000 -0.000 2.494) 2.494 20.180 ( 0.000 0.000 2.494) 2.494 20.263 ( 0.000 -0.000 0.903) 0.903 20.263 ( -0.000 0.000 0.903) 0.903 20.288 ( 0.000 0.000 -9.626) 9.626 20.405 ( 0.000 0.000 -2.384) 2.384 20.770 ( -0.000 0.000 2.002) 2.002 20.770 ( 0.000 -0.000 2.002) 2.002 21.057 ( 0.000 -0.000 -2.252) 2.252 21.057 ( 0.000 0.000 -2.252) 2.252 21.695 ( -0.000 0.000 1.341) 1.341 21.773 ( 0.000 -0.000 1.424) 1.424 23.231 ( 0.000 0.000 2.479) 2.479 23.747 ( 0.000 0.000 3.237) 3.237 23.747 ( -0.000 -0.000 3.237) 3.237 23.893 ( 0.000 -0.000 -8.976) 8.976 24.226 ( -0.000 -0.000 -4.368) 4.368 24.226 ( 0.000 0.000 -4.368) 4.368 25.495 ( 0.000 0.000 7.121) 7.121 26.073 ( 0.000 -0.000 -3.280) 3.280 99.625 ( 0.000 0.000 0.293) 0.293 99.659 ( -0.000 -0.000 -0.253) 0.253 ======================= Grid point 110 (16/56) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 41.001 23.672 28.105) 55.058 1.744 ( 27.438 15.841 54.763) 63.267 2.615 ( 70.447 40.673 44.648) 92.793 3.956 ( 12.608 7.279 -18.605) 23.624 4.278 ( 37.149 21.448 -18.173) 46.586 6.277 ( -5.531 -3.193 3.151) 7.121 6.497 ( 3.644 2.104 -7.159) 8.304 6.781 ( 4.353 2.513 -10.529) 11.668 6.860 ( 6.644 3.836 -2.965) 8.225 7.618 ( 7.032 4.060 0.193) 8.122 7.660 ( 13.464 7.773 -17.099) 23.110 7.738 ( 10.703 6.179 -1.606) 12.462 8.042 ( -5.850 -3.377 6.168) 9.147 8.086 ( -1.891 -1.092 5.649) 6.057 8.805 ( -19.699 -11.373 12.669) 26.037 9.105 ( -2.014 -1.163 -8.481) 8.794 9.236 ( 0.593 0.342 -1.693) 1.826 9.326 ( -5.815 -3.357 9.544) 11.669 9.407 ( 3.075 1.775 6.235) 7.175 9.739 ( -2.321 -1.340 0.275) 2.694 9.873 ( 6.365 3.675 -0.909) 7.406 10.130 ( 10.536 6.083 10.133) 15.834 10.159 ( 7.635 4.408 -10.252) 13.521 10.331 ( 18.720 10.808 1.441) 21.664 11.213 ( 8.024 4.633 4.757) 10.415 11.537 ( -0.032 -0.018 -7.280) 7.280 11.653 ( 3.795 2.191 -3.630) 5.690 11.804 ( 5.271 3.043 0.766) 6.135 11.992 ( -8.429 -4.867 15.940) 18.676 12.066 ( -13.681 -7.899 20.474) 25.860 12.497 ( 8.253 4.765 -12.166) 15.454 12.722 ( -0.433 -0.250 -4.550) 4.577 12.787 ( 3.505 2.023 0.931) 4.153 12.996 ( -4.386 -2.532 -6.583) 8.306 13.383 ( -10.347 -5.974 5.338) 13.086 13.658 ( -13.634 -7.872 8.458) 17.872 13.767 ( -0.472 -0.272 -0.605) 0.814 14.174 ( 14.327 8.272 -6.901) 17.925 14.190 ( -1.564 -0.903 -4.437) 4.791 14.330 ( 8.586 4.957 -3.050) 10.373 14.565 ( -7.625 -4.403 5.591) 10.430 14.731 ( 0.697 0.403 3.659) 3.747 14.766 ( 0.204 0.118 0.662) 0.703 14.886 ( -0.018 -0.010 6.063) 6.063 15.773 ( -10.944 -6.319 -0.067) 12.638 15.894 ( 0.424 0.245 3.056) 3.094 15.908 ( -5.698 -3.290 -8.925) 11.088 15.981 ( 1.181 0.682 1.170) 1.797 16.642 ( -4.056 -2.342 10.559) 11.551 16.674 ( -8.696 -5.021 7.913) 12.785 16.976 ( -9.206 -5.315 1.487) 10.734 17.055 ( 4.989 2.880 2.302) 6.204 17.240 ( 2.824 1.631 -1.805) 3.727 17.463 ( -6.720 -3.880 -4.067) 8.761 17.501 ( 8.053 4.649 -3.896) 10.082 17.867 ( 17.069 9.855 -24.742) 31.632 18.735 ( -18.840 -10.877 7.740) 23.090 18.915 ( -2.341 -1.351 5.307) 5.956 19.049 ( -1.189 -0.686 -0.591) 1.494 19.232 ( -4.622 -2.669 -0.459) 5.357 19.251 ( -1.786 -1.031 -3.510) 4.071 19.384 ( -6.685 -3.860 6.409) 10.033 19.830 ( -4.449 -2.569 6.333) 8.155 20.077 ( -5.916 -3.415 1.722) 7.044 20.171 ( -0.656 -0.378 2.441) 2.555 20.258 ( -0.380 -0.219 0.868) 0.972 20.426 ( 1.858 1.073 -2.135) 3.027 20.491 ( -4.210 -2.431 -4.341) 6.518 20.761 ( -0.869 -0.502 1.580) 1.872 20.993 ( -5.089 -2.938 -1.834) 6.155 21.063 ( 5.488 3.169 -2.170) 6.699 21.177 ( 14.145 8.167 -4.564) 16.959 21.752 ( 3.585 2.070 1.539) 4.417 22.059 ( 12.899 7.447 -16.432) 22.178 23.136 ( -10.665 -6.158 13.429) 18.221 23.502 ( 1.701 0.982 7.611) 7.860 23.796 ( 3.932 2.270 3.053) 5.471 23.879 ( -2.337 -1.349 -6.605) 7.134 24.202 ( 0.184 0.106 -5.249) 5.253 24.254 ( 2.173 1.254 -4.194) 4.887 25.551 ( 4.665 2.693 8.023) 9.664 27.019 ( 32.475 18.749 -49.418) 62.035 99.161 ( -18.240 -10.531 22.384) 30.735 99.603 ( -4.471 -2.582 -0.712) 5.212 ======================= Grid point 111 (17/56) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 31.598 18.243 40.969) 54.861 2.611 ( 46.146 26.642 14.974) 55.349 4.364 ( 20.718 11.961 -15.381) 28.440 4.511 ( 81.581 47.101 17.312) 95.779 5.371 ( 49.786 28.744 -18.042) 60.253 6.150 ( -4.867 -2.810 5.463) 7.838 6.494 ( -0.076 -0.044 -16.674) 16.674 6.947 ( 6.109 3.527 -2.767) 7.577 7.031 ( 6.830 3.943 -3.107) 8.477 7.667 ( -4.483 -2.588 -0.594) 5.210 7.721 ( -9.724 -5.614 3.038) 11.632 8.022 ( 10.557 6.095 -4.021) 12.837 8.128 ( 4.365 2.520 8.762) 10.108 8.177 ( 15.666 9.045 6.235) 19.134 8.446 ( -8.768 -5.062 11.210) 15.105 8.999 ( -7.179 -4.145 5.108) 9.737 9.219 ( 1.076 0.621 1.884) 2.257 9.222 ( 2.136 1.233 -0.758) 2.580 9.597 ( 11.262 6.502 0.567) 13.016 9.818 ( 8.507 4.912 -11.836) 15.381 10.004 ( 3.424 1.977 -10.338) 11.069 10.411 ( 13.299 7.678 11.663) 19.283 10.479 ( 18.020 10.404 -12.915) 24.490 10.812 ( 17.912 10.342 6.810) 21.775 11.269 ( -1.942 -1.121 -3.561) 4.208 11.532 ( -11.352 -6.554 8.313) 15.521 11.732 ( 12.213 7.051 -0.732) 14.121 11.769 ( -6.298 -3.636 1.249) 7.378 11.994 ( 12.380 7.148 4.049) 14.858 12.087 ( 8.602 4.967 0.003) 9.933 12.612 ( -0.354 -0.204 -5.543) 5.558 12.854 ( 12.926 7.463 -9.154) 17.509 12.915 ( 7.131 4.117 4.765) 9.513 13.029 ( -1.409 -0.814 -2.870) 3.299 13.203 ( 1.614 0.932 0.552) 1.944 13.509 ( -0.464 -0.268 5.840) 5.865 13.752 ( -0.887 -0.512 -1.202) 1.579 14.125 ( -4.121 -2.379 -3.418) 5.859 14.363 ( -8.532 -4.926 7.287) 12.253 14.421 ( 4.231 2.443 -1.461) 5.099 14.553 ( 6.939 4.006 -2.217) 8.313 14.687 ( -6.495 -3.750 7.400) 10.535 14.726 ( -3.505 -2.024 -0.177) 4.051 14.874 ( 2.436 1.406 3.027) 4.132 15.586 ( -4.178 -2.412 -0.370) 4.838 15.676 ( -12.540 -7.240 -3.335) 14.859 15.892 ( -1.302 -0.752 3.410) 3.727 16.000 ( 0.116 0.067 1.193) 1.201 16.313 ( -21.830 -12.603 -1.180) 25.234 16.415 ( -12.241 -7.067 4.819) 14.933 16.711 ( -7.735 -4.466 -2.463) 9.265 16.953 ( -15.932 -9.199 -2.512) 18.568 17.378 ( 8.898 5.137 -1.065) 10.329 17.430 ( 6.189 3.573 -0.192) 7.148 17.655 ( -12.260 -7.078 -3.908) 14.686 17.969 ( 1.246 0.719 -3.811) 4.073 18.320 ( -9.019 -5.207 10.614) 14.870 18.805 ( -6.670 -3.851 0.068) 7.702 19.014 ( -1.554 -0.897 -0.207) 1.806 19.064 ( -7.322 -4.227 0.384) 8.463 19.195 ( -2.750 -1.588 -2.406) 3.984 19.288 ( -2.047 -1.182 0.373) 2.393 19.795 ( 0.864 0.499 3.065) 3.223 19.991 ( -1.720 -0.993 4.901) 5.288 20.154 ( -0.645 -0.373 2.061) 2.191 20.245 ( -0.708 -0.409 0.837) 1.170 20.395 ( -2.138 -1.234 -0.343) 2.492 20.515 ( 4.583 2.646 -3.419) 6.300 20.726 ( -2.084 -1.203 0.630) 2.488 20.835 ( -7.689 -4.439 -0.931) 8.927 21.167 ( 4.404 2.542 0.810) 5.149 21.452 ( 8.224 4.748 -1.907) 9.686 21.806 ( 0.182 0.105 2.625) 2.633 22.226 ( 2.310 1.334 -8.822) 9.216 22.987 ( -1.355 -0.782 5.490) 5.709 23.425 ( -13.762 -7.945 -3.639) 16.302 23.917 ( 8.703 5.024 1.097) 10.109 23.919 ( 6.011 3.471 2.603) 7.413 24.306 ( 7.614 4.396 -5.739) 10.499 24.317 ( 2.787 1.609 -3.688) 4.895 25.710 ( 8.323 4.805 9.054) 13.203 27.391 ( 4.492 2.593 -30.137) 30.580 98.901 ( -6.118 -3.532 13.148) 14.925 99.464 ( -6.754 -3.899 -1.594) 7.960 ======================= Grid point 112 (18/56) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 36.115 20.851 21.900) 47.103 3.696 ( 44.197 25.517 8.376) 51.717 4.894 ( 22.620 13.060 -11.109) 28.384 6.043 ( -4.368 -2.522 7.281) 8.857 6.095 ( 16.131 9.313 -25.936) 31.931 6.413 ( 53.476 30.874 -1.761) 61.774 6.809 ( 28.428 16.413 -6.904) 33.544 7.035 ( 9.226 5.327 5.684) 12.075 7.122 ( -1.323 -0.764 -3.127) 3.480 7.491 ( -8.074 -4.661 0.635) 9.345 7.532 ( -1.227 -0.708 7.454) 7.587 8.063 ( -7.696 -4.443 6.886) 11.242 8.111 ( -7.168 -4.139 15.263) 17.363 8.228 ( 4.725 2.728 -2.077) 5.838 8.726 ( 18.373 10.608 12.720) 24.736 8.820 ( -6.862 -3.962 4.945) 9.340 9.451 ( 16.651 9.614 -3.388) 19.523 9.483 ( 19.047 10.997 -0.959) 22.014 9.886 ( 11.716 6.764 -0.625) 13.543 10.077 ( 11.480 6.628 -14.900) 19.943 10.080 ( 3.887 2.244 -12.617) 13.391 10.725 ( -2.574 -1.486 -3.457) 4.559 10.752 ( 13.815 7.976 10.219) 18.945 11.095 ( 0.370 0.214 -0.761) 0.873 11.279 ( 5.389 3.111 -3.715) 7.247 11.357 ( 4.135 2.388 3.030) 5.655 11.660 ( -1.781 -1.028 -3.887) 4.398 11.926 ( 4.782 2.761 3.467) 6.520 12.339 ( 9.523 5.498 3.177) 11.445 12.360 ( 12.312 7.108 -3.590) 14.663 12.652 ( 7.807 4.507 -3.390) 9.631 12.900 ( -5.800 -3.348 -2.543) 7.163 13.114 ( 6.640 3.834 5.319) 9.331 13.193 ( 13.542 7.818 -10.915) 19.070 13.377 ( 7.838 4.525 1.819) 9.231 13.632 ( 8.465 4.888 3.626) 10.426 13.710 ( -2.324 -1.342 3.398) 4.330 14.015 ( -3.459 -1.997 0.380) 4.012 14.140 ( -19.842 -11.456 12.302) 26.006 14.194 ( -5.763 -3.327 2.577) 7.136 14.522 ( -1.220 -0.705 -3.327) 3.613 14.609 ( -5.916 -3.415 -1.229) 6.940 14.759 ( 0.638 0.369 0.272) 0.786 14.933 ( 2.128 1.228 -1.850) 3.075 15.360 ( -10.654 -6.151 -1.138) 12.355 15.541 ( -2.218 -1.280 4.163) 4.887 15.761 ( -10.911 -6.299 3.690) 13.128 15.932 ( -8.728 -5.039 -2.873) 10.479 15.991 ( -0.746 -0.431 1.130) 1.421 16.127 ( -12.704 -7.335 0.712) 14.687 16.441 ( -15.881 -9.169 -10.375) 21.069 16.500 ( -17.405 -10.049 -2.437) 20.245 17.149 ( -21.567 -12.452 2.382) 25.018 17.552 ( 6.540 3.776 0.942) 7.610 17.695 ( 12.745 7.358 -0.905) 14.744 17.846 ( -8.153 -4.707 0.826) 9.451 18.167 ( -11.179 -6.454 6.456) 14.433 18.707 ( -2.252 -1.300 0.202) 2.609 18.961 ( -0.791 -0.457 0.890) 1.276 18.981 ( -1.130 -0.653 0.259) 1.331 19.126 ( -2.922 -1.687 -1.231) 3.592 19.327 ( 6.720 3.880 -4.183) 8.815 19.868 ( 3.637 2.100 5.413) 6.851 19.960 ( -0.092 -0.053 5.553) 5.554 20.146 ( 0.008 0.005 1.033) 1.033 20.228 ( -0.555 -0.320 0.993) 1.182 20.387 ( 1.293 0.747 -0.078) 1.495 20.629 ( 4.480 2.587 -5.453) 7.516 20.637 ( -7.418 -4.283 -0.115) 8.567 20.671 ( -3.524 -2.035 -0.196) 4.074 21.251 ( 2.035 1.175 2.488) 3.423 21.584 ( 2.854 1.648 -0.859) 3.406 21.763 ( -2.767 -1.598 4.358) 5.404 22.239 ( -0.321 -0.185 -3.735) 3.753 22.857 ( -17.033 -9.834 -1.179) 19.703 23.149 ( -0.593 -0.342 -4.978) 5.025 24.068 ( 6.288 3.630 1.922) 7.511 24.154 ( 9.411 5.433 2.257) 11.098 24.371 ( 1.487 0.859 -2.862) 3.338 24.507 ( 8.272 4.776 -3.944) 10.334 25.927 ( 9.390 5.422 8.364) 13.694 27.389 ( -3.021 -1.744 -17.900) 18.237 98.802 ( -2.781 -1.606 7.314) 7.988 99.304 ( -6.254 -3.611 -2.183) 7.544 ======================= Grid point 113 (19/56) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( 32.001 18.476 8.312) 37.875 4.684 ( 37.776 21.810 3.481) 43.758 5.375 ( 15.690 9.058 -6.957) 19.407 5.918 ( -6.840 -3.949 8.261) 11.429 6.035 ( -11.217 -6.476 -23.253) 26.617 6.724 ( -1.940 -1.120 -4.988) 5.468 6.908 ( -14.147 -8.168 1.267) 16.385 6.990 ( -9.282 -5.359 -5.370) 11.988 7.353 ( -4.002 -2.311 0.085) 4.622 7.800 ( 7.920 4.572 14.088) 16.796 7.853 ( -7.432 -4.291 6.124) 10.543 8.119 ( 47.036 27.156 3.892) 54.452 8.307 ( 30.262 17.472 6.893) 35.617 8.324 ( 3.734 2.156 -3.398) 5.490 8.678 ( -5.076 -2.931 1.626) 6.083 9.166 ( 18.792 10.849 16.076) 27.005 9.839 ( 12.399 7.158 -3.161) 14.662 9.935 ( 15.118 8.729 -6.360) 18.580 10.114 ( 8.249 4.763 -4.519) 10.543 10.203 ( 2.328 1.344 -8.564) 8.976 10.306 ( 6.866 3.964 -12.956) 15.190 10.505 ( -6.895 -3.981 1.306) 8.068 10.888 ( -10.410 -6.010 12.726) 17.505 11.035 ( 12.377 7.146 9.977) 17.430 11.516 ( 8.385 4.841 2.607) 10.027 11.543 ( -4.930 -2.846 -7.881) 9.722 11.693 ( 7.787 4.496 -3.115) 9.516 12.007 ( 3.990 2.304 2.039) 5.039 12.374 ( -3.555 -2.053 0.726) 4.169 12.444 ( -8.044 -4.644 1.214) 9.367 12.748 ( -9.812 -5.665 -9.973) 15.094 12.881 ( 6.729 3.885 -0.974) 7.831 13.060 ( -9.199 -5.311 1.532) 10.732 13.440 ( 9.496 5.483 5.488) 12.262 13.446 ( 6.955 4.015 -7.158) 10.758 13.727 ( 3.773 2.179 5.544) 7.052 13.843 ( 11.995 6.925 9.132) 16.590 13.997 ( 1.267 0.731 -1.233) 1.914 14.091 ( -1.178 -0.680 0.649) 1.506 14.180 ( 8.897 5.137 -0.303) 10.278 14.428 ( -4.227 -2.441 -7.528) 8.972 14.474 ( -4.679 -2.701 -3.691) 6.543 14.616 ( -3.901 -2.252 -5.367) 7.007 15.019 ( 3.832 2.212 0.096) 4.426 15.187 ( -6.412 -3.702 -1.572) 7.569 15.428 ( -14.625 -8.444 2.615) 17.089 15.500 ( -1.671 -0.965 6.076) 6.375 15.699 ( -18.283 -10.556 -2.280) 21.234 15.706 ( -13.195 -7.618 -0.090) 15.237 15.998 ( -0.159 -0.092 3.073) 3.079 16.071 ( -11.115 -6.417 -1.382) 12.909 16.279 ( -3.203 -1.849 -0.913) 3.809 16.783 ( -8.737 -5.044 0.385) 10.096 17.676 ( -5.138 -2.966 -2.329) 6.373 17.684 ( 4.132 2.385 2.087) 5.208 17.866 ( -11.731 -6.773 11.274) 17.623 17.964 ( 8.786 5.073 -2.163) 10.374 18.658 ( -1.300 -0.751 -1.108) 1.866 18.968 ( 0.213 0.123 0.716) 0.757 18.985 ( 2.463 1.422 -1.493) 3.213 19.058 ( -2.770 -1.600 -0.090) 3.200 19.508 ( 4.610 2.661 -8.313) 9.871 19.892 ( 0.785 0.453 9.976) 10.017 20.063 ( 6.891 3.979 3.900) 8.862 20.147 ( -0.130 -0.075 -0.253) 0.294 20.235 ( 1.568 0.905 0.935) 2.038 20.430 ( 1.362 0.786 -1.644) 2.275 20.461 ( -6.730 -3.886 0.866) 7.819 20.603 ( -2.298 -1.327 -0.773) 2.764 20.718 ( 2.918 1.685 -6.979) 7.750 21.273 ( 0.757 0.437 3.731) 3.832 21.528 ( -6.690 -3.862 0.182) 7.727 21.766 ( 2.484 1.434 5.021) 5.783 22.221 ( -1.292 -0.746 -3.132) 3.469 22.420 ( -15.038 -8.682 2.683) 17.571 23.211 ( 2.921 1.687 -9.510) 10.090 24.208 ( 5.206 3.006 0.952) 6.087 24.333 ( 5.296 3.057 2.860) 6.751 24.380 ( -0.815 -0.471 -1.766) 2.001 24.669 ( 4.914 2.837 -1.610) 5.898 26.127 ( 6.667 3.849 6.478) 10.061 27.299 ( -3.714 -2.144 -11.803) 12.559 98.755 ( -1.250 -0.722 4.814) 5.026 99.182 ( -3.653 -2.109 -2.365) 4.836 ======================= Grid point 114 (20/56) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.541 ( 0.000 0.000 1.073) 1.073 5.403 ( 0.000 0.000 -1.685) 1.685 5.410 ( -0.000 -0.000 -4.090) 4.090 5.783 ( 0.000 0.000 9.941) 9.941 5.804 ( 0.000 0.000 -13.284) 13.284 6.684 ( 0.000 0.000 5.439) 5.439 6.744 ( 0.000 0.000 -8.843) 8.843 6.815 ( 0.000 0.000 -5.354) 5.354 7.296 ( 0.000 0.000 -1.550) 1.550 7.761 ( 0.000 0.000 5.057) 5.057 7.837 ( 0.000 0.000 17.043) 17.043 8.384 ( 0.000 0.000 -3.453) 3.453 8.603 ( 0.000 0.000 0.220) 0.220 8.652 ( 0.000 0.000 -1.095) 1.095 9.004 ( 0.000 0.000 9.695) 9.695 9.247 ( 0.000 0.000 -1.616) 1.616 10.068 ( 0.000 0.000 2.414) 2.414 10.086 ( -0.000 -0.000 -9.236) 9.236 10.118 ( 0.000 0.000 -8.755) 8.755 10.384 ( 0.000 0.000 -13.032) 13.032 10.448 ( 0.000 0.000 2.464) 2.464 10.562 ( 0.000 0.000 10.514) 10.514 10.703 ( 0.000 0.000 12.578) 12.578 11.094 ( 0.000 0.000 -1.970) 1.970 11.323 ( 0.000 0.000 12.326) 12.326 11.484 ( -0.000 -0.000 7.713) 7.713 11.984 ( 0.000 0.000 -4.544) 4.544 12.176 ( 0.000 0.000 -0.840) 0.840 12.180 ( 0.000 0.000 -4.806) 4.806 12.224 ( -0.000 -0.000 -0.573) 0.573 12.583 ( 0.000 0.000 -0.825) 0.825 12.992 ( 0.000 0.000 0.879) 0.879 13.010 ( 0.000 0.000 -7.049) 7.049 13.469 ( 0.000 0.000 -4.836) 4.836 13.712 ( -0.000 -0.000 -0.627) 0.627 13.799 ( 0.000 0.000 2.368) 2.368 13.853 ( 0.000 0.000 3.249) 3.249 14.037 ( 0.000 0.000 0.036) 0.036 14.123 ( 0.000 0.000 -0.496) 0.496 14.196 ( 0.000 0.000 -0.339) 0.339 14.412 ( 0.000 0.000 -6.002) 6.002 14.488 ( 0.000 0.000 -5.660) 5.660 14.695 ( 0.000 0.000 -3.811) 3.811 15.021 ( 0.000 0.000 -11.936) 11.936 15.151 ( -0.000 -0.000 6.700) 6.700 15.210 ( 0.000 0.000 2.355) 2.355 15.306 ( 0.000 0.000 2.097) 2.097 15.449 ( 0.000 0.000 -1.133) 1.133 15.583 ( 0.000 0.000 5.910) 5.910 15.945 ( 0.000 0.000 4.109) 4.109 15.997 ( 0.000 0.000 2.999) 2.999 16.249 ( 0.000 0.000 -0.823) 0.823 16.691 ( 0.000 0.000 0.347) 0.347 17.637 ( -0.000 -0.000 -5.630) 5.630 17.686 ( 0.000 0.000 15.804) 15.804 17.735 ( 0.000 0.000 2.471) 2.471 18.075 ( 0.000 0.000 -2.842) 2.842 18.644 ( 0.000 0.000 -0.771) 0.771 18.990 ( 0.000 0.000 0.689) 0.689 19.004 ( -0.000 -0.000 0.772) 0.772 19.033 ( 0.000 0.000 -4.465) 4.465 19.536 ( 0.000 0.000 -6.140) 6.140 19.915 ( 0.000 0.000 6.521) 6.521 20.143 ( 0.000 0.000 -0.470) 0.470 20.184 ( 0.000 0.000 5.114) 5.114 20.288 ( -0.000 -0.000 -1.710) 1.710 20.347 ( 0.000 0.000 3.476) 3.476 20.431 ( 0.000 0.000 -3.451) 3.451 20.573 ( 0.000 0.000 -0.943) 0.943 20.757 ( 0.000 0.000 -7.594) 7.594 21.304 ( 0.000 0.000 2.080) 2.080 21.402 ( 0.000 0.000 3.968) 3.968 21.801 ( 0.000 0.000 4.124) 4.124 22.184 ( 0.000 0.000 5.806) 5.806 22.249 ( 0.000 0.000 -3.587) 3.587 23.249 ( 0.000 0.000 -11.058) 11.058 24.292 ( 0.000 0.000 0.069) 0.069 24.349 ( 0.000 0.000 -0.838) 0.838 24.397 ( 0.000 0.000 3.037) 3.037 24.729 ( 0.000 0.000 -0.517) 0.517 26.212 ( 0.000 0.000 5.411) 5.411 27.248 ( 0.000 0.000 -9.736) 9.736 98.740 ( 0.000 0.000 4.108) 4.108 99.138 ( 0.000 0.000 -2.381) 2.381 ======================= Grid point 121 (21/56) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 16.889 29.253 46.423) 57.411 2.351 ( 27.868 48.268 17.415) 58.393 3.957 ( 44.571 77.199 20.710) 91.516 4.285 ( 14.642 25.361 -15.531) 33.148 5.014 ( 26.449 45.811 -17.196) 55.622 6.197 ( -1.469 -2.545 1.747) 3.418 6.626 ( 3.502 6.065 -3.447) 7.806 6.673 ( -2.223 -3.850 -14.923) 15.571 7.106 ( 6.999 12.123 -2.564) 14.231 7.653 ( -2.148 -3.720 -1.998) 4.737 7.913 ( 6.335 10.973 -0.467) 12.679 7.933 ( -0.219 -0.379 1.667) 1.723 7.983 ( 3.541 6.133 3.944) 8.106 8.080 ( 5.548 9.610 5.853) 12.545 8.569 ( -4.904 -8.494 11.247) 14.923 9.094 ( -0.352 -0.610 -8.465) 8.494 9.110 ( -4.069 -7.048 7.211) 10.874 9.342 ( -2.766 -4.791 5.441) 7.760 9.345 ( 1.075 1.862 3.057) 3.737 9.872 ( 0.748 1.295 -2.674) 3.064 9.970 ( 9.366 16.222 -7.843) 20.307 10.170 ( 4.713 8.163 -10.609) 14.191 10.558 ( 8.334 14.436 1.203) 16.712 10.621 ( 13.159 22.792 6.753) 27.171 11.371 ( 2.473 4.283 2.811) 5.688 11.494 ( 0.295 0.511 -7.434) 7.458 11.685 ( -1.983 -3.434 12.893) 13.489 11.887 ( 2.020 3.500 2.413) 4.707 11.940 ( 4.705 8.150 -2.531) 9.745 11.952 ( -0.413 -0.715 6.804) 6.854 12.679 ( -0.318 -0.551 -3.160) 3.223 12.709 ( 6.384 11.057 -8.329) 15.244 12.900 ( 5.123 8.873 2.566) 10.562 13.029 ( 3.309 5.732 -10.528) 12.436 13.194 ( -5.868 -10.164 5.270) 12.865 13.481 ( -3.108 -5.383 5.927) 8.589 13.772 ( -0.606 -1.050 0.409) 1.279 14.194 ( -0.133 -0.230 -2.739) 2.752 14.348 ( -1.888 -3.270 -1.677) 4.131 14.386 ( 3.442 5.962 -2.899) 7.469 14.552 ( 1.332 2.307 6.763) 7.269 14.671 ( 0.970 1.679 -0.572) 2.022 14.820 ( -0.042 -0.073 1.256) 1.259 14.854 ( -1.130 -1.957 7.078) 7.430 15.595 ( -4.609 -7.982 -0.437) 9.228 15.748 ( -6.646 -11.511 -4.986) 14.196 15.915 ( 0.631 1.092 3.699) 3.908 16.004 ( 0.229 0.397 1.205) 1.289 16.395 ( -11.529 -19.968 3.471) 23.317 16.590 ( -13.912 -24.097 4.544) 28.194 16.648 ( -0.461 -0.799 0.513) 1.056 17.146 ( -8.795 -15.233 -7.011) 18.936 17.212 ( 4.913 8.510 2.056) 10.039 17.376 ( 2.004 3.472 -0.558) 4.047 17.792 ( 8.746 15.149 -3.722) 17.885 17.961 ( -3.006 -5.206 -9.575) 11.306 18.487 ( -9.211 -15.955 10.093) 21.007 18.644 ( -6.199 -10.737 3.467) 12.874 19.087 ( -2.027 -3.510 -3.170) 5.146 19.171 ( -2.693 -4.664 -3.502) 6.424 19.193 ( 0.164 0.285 2.778) 2.797 19.298 ( -1.840 -3.187 2.062) 4.218 19.805 ( -0.204 -0.353 3.871) 3.893 19.986 ( -2.228 -3.858 2.788) 5.256 20.174 ( -0.243 -0.420 2.219) 2.272 20.228 ( -0.778 -1.347 0.824) 1.761 20.403 ( -2.561 -4.436 -0.664) 5.165 20.485 ( 2.008 3.478 -2.745) 4.864 20.768 ( 0.388 0.673 0.814) 1.125 20.823 ( -4.511 -7.813 -0.171) 9.023 21.184 ( 2.801 4.852 -0.337) 5.612 21.398 ( 5.952 10.309 -2.423) 12.148 21.836 ( 2.489 4.312 1.816) 5.300 22.184 ( 1.452 2.515 -11.800) 12.152 23.014 ( -1.656 -2.869 9.316) 9.887 23.534 ( -8.934 -15.475 -2.891) 18.101 23.647 ( 5.055 8.755 2.470) 10.407 24.014 ( 0.975 1.690 -1.465) 2.440 24.276 ( 5.659 9.802 -5.062) 12.399 24.320 ( 3.296 5.709 -2.661) 7.109 25.658 ( 4.254 7.368 8.806) 12.245 27.344 ( 4.812 8.335 -35.112) 36.407 98.945 ( -4.610 -7.984 15.603) 18.123 99.506 ( -3.715 -6.434 -1.365) 7.554 ======================= Grid point 122 (22/56) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 26.840 30.243 27.478) 48.888 3.396 ( 32.566 46.137 10.390) 57.421 4.785 ( 16.033 27.871 -11.879) 34.278 5.689 ( 54.692 60.737 6.752) 82.011 5.865 ( 19.442 10.438 -16.221) 27.388 6.291 ( 6.437 20.231 -1.578) 21.289 6.585 ( 4.899 8.594 -10.339) 14.309 6.851 ( 12.284 -0.985 0.744) 12.345 7.239 ( -3.361 5.310 -0.614) 6.314 7.491 ( -6.086 -9.034 -0.206) 10.895 7.762 ( -9.614 5.425 8.054) 13.665 8.024 ( 0.336 -4.861 9.550) 10.721 8.226 ( 3.265 9.573 -2.388) 10.393 8.345 ( -2.117 8.921 8.239) 12.327 8.500 ( 9.074 3.992 8.464) 13.035 8.967 ( -5.852 1.852 6.601) 9.014 9.153 ( 5.775 -1.643 -2.262) 6.416 9.315 ( 13.443 -0.740 -1.876) 13.594 9.546 ( 15.670 1.476 -1.375) 15.799 9.884 ( 5.739 -5.265 -2.822) 8.284 10.247 ( 0.503 18.789 -11.548) 22.060 10.481 ( 15.984 4.510 -5.228) 17.412 10.759 ( 2.653 6.043 -5.109) 8.346 11.071 ( 5.462 9.443 4.608) 11.842 11.295 ( 1.585 5.985 0.026) 6.192 11.497 ( -4.842 5.478 -1.982) 7.575 11.756 ( -3.839 8.844 0.683) 9.665 11.936 ( 4.133 9.505 1.342) 10.451 12.106 ( 13.814 4.161 4.835) 15.216 12.218 ( 13.608 6.990 -5.312) 16.194 12.670 ( -3.308 5.800 -2.243) 7.043 12.906 ( 8.992 -1.533 -0.077) 9.122 13.015 ( -3.317 2.948 4.296) 6.177 13.162 ( 5.564 12.158 -9.353) 16.317 13.234 ( 11.186 2.813 1.294) 11.607 13.479 ( 5.733 -0.496 1.636) 5.983 13.712 ( -0.386 -3.819 5.624) 6.809 14.091 ( -10.082 -2.643 0.769) 10.451 14.229 ( -1.770 -8.431 3.999) 9.498 14.390 ( -5.485 -2.467 2.763) 6.619 14.555 ( -10.934 -4.095 0.878) 11.709 14.670 ( 1.702 -0.509 1.220) 2.155 14.779 ( -0.817 6.271 2.162) 6.683 14.934 ( 2.217 6.057 -1.592) 6.644 15.458 ( -10.330 -12.303 -1.901) 16.177 15.508 ( 2.065 -5.368 -0.211) 5.756 15.860 ( -9.577 -11.413 3.751) 15.364 15.916 ( -8.499 -11.574 1.519) 14.440 16.001 ( -0.248 -5.045 2.583) 5.673 16.155 ( -8.563 -17.876 2.254) 19.949 16.614 ( -5.123 -1.468 -9.432) 10.834 16.709 ( -17.698 -13.986 -6.719) 23.536 17.387 ( 0.716 -1.614 0.838) 1.955 17.478 ( 3.098 1.814 -0.276) 3.600 17.592 ( -16.052 -6.971 -0.257) 17.503 17.880 ( -1.903 -12.052 -3.518) 12.699 18.243 ( -5.430 -5.803 10.925) 13.510 18.627 ( 5.805 -0.227 3.643) 6.857 18.976 ( -4.701 0.761 -1.497) 4.992 19.120 ( 1.351 -3.766 -2.601) 4.772 19.186 ( -5.106 6.932 -0.790) 8.646 19.258 ( 1.172 -0.979 0.407) 1.580 19.819 ( 2.067 1.228 2.166) 3.236 19.932 ( 0.393 -4.283 4.788) 6.436 20.155 ( -0.765 -0.816 2.461) 2.704 20.206 ( -0.180 -2.544 1.012) 2.743 20.339 ( 0.400 -3.395 0.045) 3.419 20.549 ( 2.199 0.815 -2.827) 3.673 20.708 ( -1.980 -3.018 0.345) 3.626 20.776 ( -2.505 4.071 -1.250) 4.941 21.281 ( 0.953 6.558 1.279) 6.749 21.551 ( 3.639 3.430 0.179) 5.004 21.859 ( -5.640 3.807 2.372) 7.206 22.181 ( 2.045 -5.949 -4.137) 7.529 23.007 ( -6.046 0.144 -1.012) 6.132 23.148 ( -7.513 -15.803 -2.450) 17.669 23.848 ( 10.334 0.457 -0.312) 10.349 24.053 ( 4.802 -0.915 -2.192) 5.357 24.446 ( 0.638 12.429 -0.579) 12.459 24.532 ( 6.045 13.399 -1.908) 14.823 25.840 ( 7.074 7.380 8.541) 13.321 27.388 ( -0.968 -3.352 -21.298) 21.582 98.828 ( -2.714 -3.156 8.862) 9.791 99.358 ( -5.093 -5.960 -2.025) 8.097 ======================= Grid point 123 (23/56) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( 29.784 28.020 12.590) 42.787 4.420 ( 29.857 42.126 5.327) 51.908 5.335 ( 11.457 28.037 -8.517) 31.463 5.957 ( -1.281 -2.943 -6.592) 7.332 6.238 ( -11.180 4.350 -12.105) 17.042 6.732 ( 3.098 1.334 -5.511) 6.461 7.006 ( 2.185 -2.265 -6.214) 6.965 7.155 ( -10.505 0.687 -1.456) 10.628 7.363 ( 9.404 4.971 2.788) 10.996 7.489 ( 35.334 27.852 8.176) 45.728 7.774 ( 5.379 14.262 8.391) 17.400 7.961 ( 1.939 8.594 9.549) 12.992 8.220 ( -4.937 8.806 8.800) 13.393 8.409 ( -0.733 14.425 -1.799) 14.555 8.690 ( 3.974 -2.902 6.047) 7.796 9.022 ( 7.552 13.366 10.453) 18.573 9.399 ( 25.247 -12.847 1.470) 28.366 9.655 ( 19.104 2.076 -5.426) 19.967 9.803 ( 13.906 -7.417 -5.704) 16.761 10.101 ( 18.669 6.177 -2.684) 19.847 10.349 ( -4.588 2.797 -4.577) 7.059 10.674 ( 6.057 -3.351 0.139) 6.923 10.771 ( -5.067 -1.363 -8.395) 9.899 10.969 ( -2.249 -2.136 -1.486) 3.440 11.502 ( 0.591 12.803 -0.941) 12.851 11.668 ( 2.694 13.997 0.979) 14.287 11.803 ( -3.000 18.596 -3.040) 19.080 12.072 ( -0.691 11.223 3.235) 11.701 12.379 ( 7.715 1.813 0.697) 7.956 12.464 ( 4.695 0.654 -2.094) 5.183 12.708 ( -0.824 -0.085 -2.398) 2.537 12.914 ( -1.197 2.827 -1.230) 3.307 13.085 ( -4.781 -13.003 1.322) 13.917 13.197 ( 10.002 -3.218 1.510) 10.615 13.461 ( 12.775 1.590 -0.423) 12.881 13.582 ( 3.684 4.622 4.712) 7.559 13.879 ( -7.115 -0.117 3.380) 7.878 13.928 ( 10.854 8.962 1.583) 14.164 14.025 ( -4.633 -5.137 7.049) 9.876 14.242 ( -2.970 4.774 -1.488) 5.816 14.435 ( -2.531 -1.242 -4.033) 4.921 14.545 ( -7.275 -6.826 -1.615) 10.106 14.835 ( -11.185 6.367 -5.392) 13.954 14.970 ( 4.110 2.443 0.225) 4.786 15.213 ( -4.745 -8.223 0.007) 9.493 15.451 ( -2.975 -13.902 1.570) 14.303 15.553 ( -6.840 -6.351 5.139) 10.655 15.692 ( -3.018 -13.018 1.201) 13.417 15.881 ( -5.310 -13.007 -1.369) 14.115 15.997 ( -1.756 -0.662 0.993) 2.124 16.225 ( -17.561 -3.999 -3.298) 18.310 16.514 ( -12.522 3.378 -7.837) 15.154 16.949 ( -19.406 -9.280 2.272) 21.630 17.492 ( 2.647 -12.941 0.126) 13.210 17.576 ( 6.193 -12.145 0.059) 13.633 17.773 ( 7.026 -11.883 -4.374) 14.481 18.080 ( -9.624 3.669 13.557) 17.026 18.682 ( 0.575 3.359 0.956) 3.540 18.943 ( -2.545 2.637 1.301) 3.889 19.088 ( -3.467 0.638 -0.079) 3.526 19.201 ( -2.766 10.458 -3.360) 11.328 19.398 ( 9.764 4.152 -6.122) 12.250 19.851 ( 0.217 -2.829 7.533) 8.049 19.943 ( 6.422 -2.397 1.908) 7.115 20.112 ( 0.201 -6.733 1.295) 6.860 20.188 ( 1.016 -1.126 2.259) 2.721 20.341 ( 1.283 -0.735 -0.561) 1.582 20.577 ( 1.405 -0.930 -2.329) 2.875 20.686 ( -3.348 7.821 0.122) 8.508 20.769 ( -3.102 4.630 -3.307) 6.481 21.321 ( -2.982 4.762 3.291) 6.511 21.619 ( -0.685 1.180 -0.043) 1.365 21.747 ( -4.833 -1.069 4.411) 6.630 22.162 ( 3.189 -7.354 -2.794) 8.489 22.583 ( -17.044 -15.957 1.542) 23.399 23.171 ( 3.847 2.561 -7.620) 8.912 24.017 ( 10.063 -3.176 -1.515) 10.661 24.143 ( 7.248 -4.364 -3.077) 9.003 24.566 ( -2.811 13.970 2.234) 14.424 24.745 ( 1.463 14.148 0.542) 14.234 26.044 ( 7.438 5.768 6.691) 11.548 27.291 ( -2.214 -7.897 -13.620) 15.899 98.768 ( -1.480 -1.523 5.510) 5.905 99.220 ( -4.026 -4.214 -2.320) 6.273 ======================= Grid point 124 (24/56) ======================= q-point: ( 0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.464 ( 17.835 18.773 1.919) 25.965 5.270 ( 19.769 30.112 -1.324) 36.045 5.651 ( -6.623 12.684 -6.741) 15.817 5.853 ( -4.359 2.717 -3.986) 6.502 6.014 ( -17.071 5.535 2.053) 18.063 6.716 ( -0.892 1.621 -7.384) 7.612 6.855 ( -6.975 -3.479 -2.110) 8.075 6.899 ( -14.033 3.318 1.063) 14.459 7.391 ( -2.954 6.304 -1.655) 7.156 7.582 ( -1.973 -10.376 9.462) 14.180 8.091 ( -7.140 14.131 8.656) 18.044 8.410 ( 8.527 4.976 1.172) 9.942 8.515 ( 6.398 8.029 -0.107) 10.267 8.611 ( 10.639 8.220 0.408) 13.450 8.799 ( 16.876 14.874 5.061) 23.058 9.351 ( -1.086 3.701 6.736) 7.763 9.633 ( 21.659 -23.353 -1.860) 31.905 9.884 ( 10.053 -18.910 -6.306) 22.325 10.065 ( 20.980 9.973 -2.140) 23.328 10.228 ( 0.964 0.084 2.958) 3.112 10.478 ( 13.066 12.501 0.071) 18.084 10.587 ( -5.934 -2.226 2.880) 6.962 10.791 ( 5.385 -1.988 -7.218) 9.222 11.073 ( 2.366 1.522 0.065) 2.814 11.413 ( -19.101 -2.052 1.637) 19.281 11.623 ( -18.881 -4.017 6.371) 20.328 11.913 ( 9.379 12.815 0.446) 15.887 12.167 ( -2.847 7.189 0.619) 7.757 12.286 ( -7.725 -1.144 1.215) 7.903 12.388 ( -8.748 -0.425 -1.161) 8.835 12.733 ( 3.837 5.438 -11.320) 13.132 12.873 ( -0.964 -1.175 0.346) 1.559 13.077 ( 3.267 4.417 1.918) 5.819 13.394 ( 11.357 -5.625 0.699) 12.693 13.508 ( -3.232 -4.743 7.072) 9.108 13.703 ( 13.399 -5.067 -2.605) 14.560 13.886 ( 4.159 -3.983 -1.009) 5.846 13.967 ( -3.917 -5.361 -0.013) 6.639 14.085 ( -1.193 1.514 3.295) 3.818 14.287 ( 0.139 8.825 -1.383) 8.934 14.408 ( 0.220 2.306 -4.899) 5.419 14.564 ( 2.251 11.092 -5.325) 12.508 14.745 ( -2.574 10.261 -5.009) 11.705 15.034 ( -4.315 -8.662 -5.606) 11.183 15.077 ( 5.138 1.260 3.062) 6.113 15.196 ( -5.212 -8.613 -0.527) 10.081 15.443 ( -3.730 -4.287 0.423) 5.698 15.543 ( -11.622 -2.988 2.229) 12.206 15.592 ( -5.583 -2.588 2.785) 6.755 15.910 ( -2.246 -5.962 0.198) 6.374 16.085 ( -4.386 5.689 3.200) 7.864 16.292 ( -6.654 -2.530 0.674) 7.151 16.718 ( -3.576 -0.741 -0.327) 3.667 17.413 ( 7.441 -14.951 1.064) 16.734 17.480 ( 3.541 -18.040 1.209) 18.424 17.810 ( 12.169 -18.041 -2.979) 21.964 18.007 ( -8.428 12.023 10.805) 18.229 18.757 ( 0.075 6.868 -0.767) 6.911 18.946 ( -1.086 5.351 1.876) 5.773 19.019 ( -5.318 1.408 1.364) 5.668 19.283 ( -3.788 13.954 -6.593) 15.891 19.525 ( 1.375 -0.359 -6.875) 7.020 19.838 ( 2.814 -3.935 7.000) 8.509 20.020 ( 6.411 -10.734 -0.582) 12.516 20.083 ( 5.033 -4.245 3.070) 7.264 20.205 ( 2.231 -2.110 2.172) 3.761 20.343 ( -2.154 2.879 -0.685) 3.660 20.601 ( 0.011 4.083 -3.554) 5.413 20.680 ( -7.358 6.908 -0.721) 10.118 20.798 ( -1.183 7.786 -2.891) 8.389 21.323 ( -0.341 4.016 3.495) 5.334 21.477 ( -9.066 -1.636 2.114) 9.452 21.758 ( 3.454 -2.548 4.345) 6.108 22.145 ( 3.716 -6.357 -1.853) 7.593 22.229 ( -6.290 -9.217 4.443) 12.011 23.242 ( 1.321 1.501 -10.517) 10.706 24.131 ( 7.705 -6.356 -2.421) 10.277 24.196 ( 4.605 -6.248 -3.669) 8.585 24.628 ( -5.943 13.277 4.206) 15.142 24.864 ( -3.697 12.375 2.370) 13.132 26.193 ( 3.227 2.943 4.656) 6.384 27.187 ( 1.275 -8.678 -9.757) 13.120 98.741 ( -0.409 -0.616 4.157) 4.222 99.139 ( -1.240 -1.965 -2.365) 3.316 ======================= Grid point 132 (25/56) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 20.814 36.051 14.047) 43.935 4.393 ( 27.773 48.104 5.854) 55.853 5.418 ( 17.730 30.709 -8.694) 36.509 5.935 ( 0.348 0.603 -13.479) 13.497 6.427 ( -2.318 -4.015 -1.458) 4.860 6.635 ( 9.923 17.187 -12.464) 23.436 6.933 ( 7.458 12.917 -11.894) 19.077 7.160 ( 6.201 10.740 15.443) 19.806 7.316 ( 17.020 29.480 3.268) 34.197 7.374 ( 0.161 0.278 3.809) 3.823 7.932 ( 4.816 8.341 7.487) 12.199 8.022 ( 4.645 8.045 8.495) 12.589 8.318 ( 0.300 0.519 -0.762) 0.969 8.566 ( 3.221 5.579 8.573) 10.724 8.575 ( 5.023 8.700 4.841) 11.152 8.953 ( -1.796 -3.110 6.669) 7.574 9.182 ( 3.760 6.512 3.384) 8.246 9.384 ( 5.355 9.275 -4.862) 11.762 9.619 ( 0.732 1.268 -4.531) 4.761 9.890 ( 5.759 9.975 1.849) 11.665 10.437 ( -1.096 -1.898 -0.642) 2.283 10.529 ( -1.372 -2.376 -2.974) 4.046 10.881 ( 4.970 8.608 -18.163) 20.705 10.983 ( -3.727 -6.455 -3.824) 8.377 11.580 ( 3.659 6.337 -7.785) 10.685 11.722 ( 12.302 21.307 5.063) 25.119 12.054 ( 2.866 4.964 -0.708) 5.776 12.107 ( 7.621 13.200 -10.780) 18.669 12.256 ( 5.219 9.039 15.291) 18.514 12.359 ( 5.320 9.215 0.553) 10.655 12.812 ( 2.614 4.527 -4.769) 7.076 12.860 ( 0.194 0.336 2.387) 2.419 13.063 ( -9.106 -15.772 1.001) 18.239 13.154 ( 0.637 1.103 -1.399) 1.892 13.260 ( 0.092 0.159 8.397) 8.399 13.567 ( 4.901 8.488 -1.289) 9.886 13.841 ( 7.111 12.317 3.976) 14.768 13.939 ( -1.426 -2.471 3.810) 4.760 14.126 ( -3.300 -5.715 1.857) 6.856 14.293 ( -3.548 -6.145 -1.773) 7.314 14.507 ( 1.157 2.003 -0.207) 2.323 14.550 ( -5.935 -10.279 0.064) 11.869 14.906 ( 3.199 5.540 1.713) 6.623 15.039 ( -3.425 -5.933 -5.117) 8.551 15.262 ( 0.010 0.017 -0.498) 0.498 15.287 ( -8.475 -14.679 0.587) 16.960 15.564 ( -4.078 -7.064 3.412) 8.842 15.737 ( -8.522 -14.761 -1.717) 17.131 15.754 ( -5.506 -9.537 5.185) 12.172 16.027 ( 0.403 0.698 1.717) 1.897 16.410 ( -6.962 -12.058 -6.031) 15.174 16.638 ( -0.425 -0.736 -11.360) 11.392 17.200 ( -13.881 -24.042 0.503) 27.766 17.315 ( -6.220 -10.773 -1.826) 12.573 17.466 ( -3.613 -6.258 2.682) 7.708 17.572 ( -5.561 -9.632 -2.145) 11.327 18.206 ( 0.728 1.262 14.172) 14.247 18.693 ( 2.051 3.552 1.854) 4.501 19.039 ( -1.355 -2.346 0.274) 2.723 19.090 ( 3.570 6.184 -0.072) 7.141 19.212 ( 1.257 2.178 -1.762) 3.071 19.386 ( 4.694 8.130 -6.228) 11.266 19.838 ( 0.324 0.562 0.473) 0.803 19.851 ( -1.256 -2.175 5.234) 5.805 20.075 ( -3.412 -5.910 4.219) 8.023 20.174 ( -0.729 -1.263 0.262) 1.481 20.319 ( 1.307 2.264 0.173) 2.620 20.567 ( 0.541 0.938 -1.717) 2.030 20.742 ( 3.256 5.639 0.289) 6.518 20.836 ( 0.649 1.125 -2.200) 2.555 21.410 ( 2.871 4.973 2.453) 6.245 21.573 ( -0.238 -0.413 3.096) 3.133 21.901 ( -1.257 -2.177 1.401) 2.878 22.010 ( -4.660 -8.072 -1.961) 9.525 22.664 ( -12.886 -22.320 1.168) 25.799 23.144 ( 3.027 5.242 -6.574) 8.937 23.897 ( 2.163 3.746 -3.104) 5.324 24.046 ( 0.625 1.082 -5.453) 5.594 24.685 ( 5.623 9.739 2.773) 11.582 24.805 ( 6.899 11.949 2.415) 14.007 26.004 ( 4.899 8.485 6.308) 11.653 27.261 ( -4.887 -8.464 -14.424) 17.423 98.774 ( -1.207 -2.091 5.826) 6.306 99.235 ( -3.223 -5.583 -2.291) 6.841 ======================= Grid point 133 (26/56) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.356 ( 21.131 30.206 3.216) 37.003 5.279 ( 18.445 34.648 -2.673) 39.342 5.870 ( -3.922 7.266 -7.456) 11.125 5.964 ( 5.420 17.446 -4.775) 18.883 6.309 ( -7.587 3.393 3.205) 8.908 6.755 ( 0.513 0.569 -9.417) 9.449 6.932 ( -5.909 0.209 -4.438) 7.393 7.181 ( -4.351 3.212 7.540) 9.279 7.376 ( -2.064 -1.494 3.448) 4.287 7.771 ( -7.995 8.580 -3.128) 12.137 8.202 ( 8.944 16.147 7.485) 19.919 8.341 ( 9.770 19.157 5.944) 22.311 8.436 ( 3.562 11.943 6.042) 13.850 8.644 ( 7.620 0.542 4.065) 8.654 8.763 ( 3.838 7.237 -0.333) 8.199 8.996 ( 13.441 -12.184 5.249) 18.886 9.371 ( 2.506 0.221 4.975) 5.575 9.575 ( 14.042 8.906 -0.121) 16.628 9.767 ( 14.717 1.467 -5.936) 15.936 10.121 ( 6.985 -6.607 2.839) 10.025 10.349 ( 4.919 -2.082 2.206) 5.779 10.464 ( 4.475 -0.019 0.182) 4.479 10.860 ( -8.046 3.869 -6.418) 10.995 11.127 ( 7.545 14.007 -18.361) 24.295 11.739 ( -6.154 5.321 -2.683) 8.567 11.889 ( -11.044 3.276 -1.461) 11.612 11.975 ( -8.568 -2.031 4.425) 9.854 12.275 ( -0.446 3.598 -0.727) 3.698 12.428 ( 4.448 1.042 5.219) 6.936 12.480 ( -7.432 3.889 0.515) 8.404 12.612 ( -0.374 -6.102 0.190) 6.116 12.845 ( 1.758 -1.393 0.979) 2.447 13.010 ( 7.357 1.289 2.896) 8.010 13.150 ( 2.514 -4.519 2.086) 5.576 13.316 ( 11.477 -14.233 2.939) 18.518 13.711 ( -9.996 3.648 4.803) 11.674 13.829 ( 2.327 -1.051 -1.843) 3.149 13.896 ( 3.015 -0.191 3.867) 4.907 14.233 ( -5.955 3.516 0.429) 6.929 14.358 ( 4.107 13.869 -3.894) 14.979 14.427 ( 3.738 6.741 -5.911) 9.714 14.606 ( 6.186 11.280 -1.347) 12.935 14.849 ( -2.423 -3.767 -3.007) 5.395 14.977 ( 1.837 -3.871 -2.641) 5.033 15.038 ( -3.376 -6.441 3.232) 7.958 15.282 ( -9.517 1.090 -4.863) 10.743 15.428 ( -3.417 -7.075 -1.486) 7.996 15.520 ( 4.335 -4.360 1.416) 6.309 15.669 ( -2.298 -6.236 2.186) 6.996 15.999 ( -6.772 0.993 2.604) 7.323 16.206 ( -5.915 -1.703 1.606) 6.362 16.426 ( -16.581 -16.314 -7.041) 24.303 16.797 ( -6.179 -2.249 0.149) 6.577 17.131 ( 3.461 -16.483 -3.717) 17.248 17.292 ( -2.489 -14.166 5.058) 15.247 17.443 ( 4.263 -16.582 -1.476) 17.185 18.232 ( -3.547 7.804 12.627) 15.262 18.787 ( 3.129 5.238 2.294) 6.519 18.978 ( -2.928 0.099 1.979) 3.535 19.201 ( 0.143 7.839 -0.470) 7.854 19.323 ( 4.623 4.275 -4.146) 7.539 19.499 ( 1.692 1.641 -7.586) 7.944 19.840 ( 1.387 -4.323 0.308) 4.550 19.850 ( -1.174 2.928 2.244) 3.871 19.977 ( 1.481 -4.451 3.235) 5.699 20.156 ( 0.778 -2.536 -0.210) 2.661 20.391 ( 1.360 4.538 0.272) 4.745 20.595 ( 1.686 1.457 -2.048) 3.027 20.822 ( -3.347 1.267 0.380) 3.599 20.909 ( 3.487 12.865 -0.615) 13.343 21.420 ( -5.621 4.313 3.956) 8.115 21.602 ( 3.992 -3.393 3.301) 6.193 21.700 ( -12.134 -3.140 1.647) 12.642 21.944 ( 6.025 -13.306 -1.516) 14.685 22.264 ( -9.143 -12.959 5.414) 16.758 23.239 ( 1.987 3.529 -9.780) 10.585 23.982 ( 4.526 -0.146 -4.978) 6.729 24.078 ( 2.742 -2.003 -7.271) 8.025 24.833 ( -1.281 11.232 5.700) 12.660 25.000 ( 2.306 9.302 5.624) 11.111 26.182 ( 4.535 8.339 2.860) 9.913 27.069 ( -2.743 -13.224 -9.809) 16.692 98.742 ( -0.627 -1.029 4.237) 4.405 99.141 ( -1.929 -3.228 -2.340) 4.429 ======================= Grid point 134 (27/56) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.803 ( -7.402 12.820 -3.521) 15.216 5.489 ( 1.882 -3.259 -12.666) 13.214 6.017 ( -9.931 17.202 -0.937) 19.885 6.046 ( -6.762 11.712 3.459) 13.960 6.270 ( -7.450 12.903 3.535) 15.313 6.758 ( -0.348 0.603 -9.309) 9.335 6.910 ( -7.612 13.184 4.074) 15.759 7.047 ( -5.999 10.390 -0.000) 11.998 7.367 ( 3.323 -5.755 8.687) 10.937 7.695 ( -10.424 18.056 -5.205) 21.489 8.398 ( -8.432 14.604 5.871) 17.857 8.430 ( 0.245 -0.424 7.870) 7.885 8.608 ( 4.372 -7.572 2.755) 9.168 8.698 ( -1.687 2.923 -7.727) 8.432 8.956 ( 1.415 -2.452 8.733) 9.181 9.064 ( 13.713 -23.752 5.291) 27.933 9.441 ( -5.368 9.298 -2.458) 11.015 9.442 ( 11.484 -19.891 -0.028) 22.968 10.061 ( 4.713 -8.162 -1.669) 9.572 10.230 ( 8.557 -14.822 -0.078) 17.115 10.499 ( -0.868 1.504 3.842) 4.216 10.745 ( -4.235 7.335 -13.232) 15.710 10.960 ( -3.551 6.151 1.659) 7.294 10.970 ( -6.837 11.843 5.798) 14.853 11.498 ( 0.457 -0.791 -2.810) 2.955 11.583 ( -6.379 11.049 -3.817) 13.317 12.132 ( -2.811 4.868 5.502) 7.866 12.173 ( 0.471 -0.816 -2.248) 2.437 12.353 ( 0.222 -0.385 -8.165) 8.178 12.460 ( -3.973 6.881 9.033) 12.030 12.742 ( 3.606 -6.246 3.417) 7.981 12.859 ( 1.389 -2.405 -4.607) 5.380 13.049 ( 3.199 -5.542 3.549) 7.317 13.238 ( 12.507 -21.663 -1.791) 25.078 13.291 ( 2.736 -4.739 4.509) 7.090 13.572 ( -2.098 3.634 5.444) 6.873 13.811 ( 1.360 -2.355 -2.321) 3.575 14.093 ( -6.482 11.227 -0.301) 12.968 14.094 ( -1.862 3.225 2.298) 4.376 14.380 ( 0.012 -0.021 -6.368) 6.368 14.642 ( -8.423 14.588 0.456) 16.851 14.733 ( -2.508 4.343 -1.464) 5.225 14.898 ( 0.004 -0.006 -3.944) 3.944 14.928 ( -2.414 4.181 -2.910) 5.637 15.091 ( 1.839 -3.185 -5.557) 6.664 15.116 ( -1.131 1.959 -2.570) 3.423 15.416 ( -0.459 0.796 -1.217) 1.525 15.517 ( -0.722 1.250 -3.504) 3.790 15.591 ( 0.290 -0.502 2.553) 2.618 15.802 ( 1.683 -2.914 -0.563) 3.412 16.138 ( 5.324 -9.221 4.508) 11.563 16.186 ( -0.942 1.631 4.059) 4.475 16.756 ( -2.025 3.508 -0.509) 4.082 17.104 ( 7.657 -13.263 -2.649) 15.542 17.161 ( 6.197 -10.734 4.334) 13.130 17.390 ( 10.951 -18.968 -2.071) 22.000 18.240 ( -5.371 9.302 11.467) 15.712 18.859 ( -2.647 4.585 2.078) 5.688 18.947 ( 0.927 -1.605 3.067) 3.584 19.250 ( -6.060 10.496 -1.255) 12.184 19.393 ( 0.921 -1.595 -5.002) 5.330 19.509 ( 0.435 -0.753 -4.405) 4.490 19.808 ( 4.377 -7.581 0.546) 8.771 19.858 ( -3.273 5.669 -0.427) 6.560 20.001 ( 1.332 -2.308 0.313) 2.683 20.148 ( 2.314 -4.007 -0.553) 4.660 20.429 ( -2.578 4.464 0.098) 5.156 20.639 ( 1.003 -1.737 -5.732) 6.073 20.776 ( -2.960 5.126 5.152) 7.847 21.040 ( -7.079 12.262 -1.068) 14.199 21.431 ( -2.932 5.078 1.779) 6.127 21.452 ( -0.674 1.167 4.590) 4.784 21.654 ( 4.228 -7.323 3.903) 9.313 21.929 ( 7.747 -13.418 -1.140) 15.535 22.113 ( 1.348 -2.335 7.047) 7.545 23.276 ( -0.948 1.642 -10.894) 11.057 24.028 ( 1.783 -3.089 -5.969) 6.954 24.091 ( 2.297 -3.979 -7.707) 8.972 24.878 ( -6.020 10.428 7.137) 13.997 25.070 ( -3.383 5.860 6.732) 9.545 26.283 ( -3.750 6.495 0.846) 7.547 26.958 ( 7.262 -12.579 -7.773) 16.474 98.731 ( 0.197 -0.341 3.751) 3.772 99.106 ( 0.662 -1.147 -2.327) 2.677 ======================= Grid point 144 (28/56) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.943 ( 14.262 24.703 -5.055) 28.969 5.442 ( -7.229 -12.521 -13.751) 19.952 6.137 ( 8.900 15.415 7.158) 19.185 6.256 ( 2.714 4.701 0.402) 5.443 6.358 ( 0.389 0.674 1.128) 1.370 6.748 ( -0.408 -0.707 -9.605) 9.639 7.100 ( 8.664 15.007 -0.649) 17.340 7.288 ( 2.070 3.585 8.315) 9.288 7.343 ( -1.666 -2.885 2.608) 4.231 7.988 ( 6.317 10.941 -8.089) 15.001 8.390 ( -1.905 -3.300 5.302) 6.529 8.402 ( -6.134 -10.624 4.632) 13.113 8.495 ( 0.937 1.622 8.788) 8.986 8.653 ( 2.618 4.534 6.724) 8.522 8.832 ( 3.816 6.610 3.411) 8.360 9.047 ( 1.231 2.133 -1.324) 2.796 9.138 ( -4.534 -7.853 3.190) 9.613 9.628 ( -3.223 -5.583 -6.017) 8.818 9.939 ( 1.207 2.091 -1.391) 2.786 9.983 ( -1.827 -3.164 -1.104) 3.816 10.494 ( 10.950 18.966 6.056) 22.722 10.688 ( 5.500 9.527 -2.962) 11.393 11.077 ( 12.433 21.535 -3.277) 25.082 11.288 ( -2.281 -3.950 -3.257) 5.605 11.512 ( -6.637 -11.495 -11.602) 17.629 11.811 ( -10.080 -17.459 -6.294) 21.119 12.015 ( 3.926 6.801 9.834) 12.585 12.232 ( -4.493 -7.783 1.072) 9.050 12.357 ( -0.710 -1.230 5.196) 5.387 12.521 ( -1.497 -2.594 -1.494) 3.347 12.551 ( -2.624 -4.545 8.000) 9.567 12.768 ( -2.169 -3.757 -0.816) 4.415 12.989 ( 3.896 6.749 -4.050) 8.782 13.131 ( -1.323 -2.292 1.827) 3.216 13.172 ( 0.318 0.551 5.255) 5.294 13.677 ( -2.217 -3.841 4.243) 6.138 13.723 ( -1.912 -3.313 2.281) 4.453 14.139 ( 7.819 13.543 1.010) 15.670 14.290 ( 0.796 1.378 -0.163) 1.599 14.352 ( -3.275 -5.672 -6.314) 9.097 14.745 ( 3.507 6.075 0.349) 7.023 14.832 ( 3.668 6.354 -3.615) 8.179 14.888 ( -0.218 -0.378 -1.093) 1.177 14.978 ( 5.538 9.592 -1.591) 11.190 15.105 ( 7.799 13.508 -2.170) 15.747 15.165 ( 1.144 1.981 -6.301) 6.703 15.443 ( -1.273 -2.205 -1.716) 3.071 15.456 ( 1.440 2.495 -6.854) 7.435 15.547 ( -3.931 -6.809 -1.182) 7.951 15.845 ( -17.802 -30.835 -4.289) 35.862 16.042 ( 0.965 1.671 7.291) 7.542 16.151 ( -2.929 -5.073 5.450) 8.001 16.812 ( 0.944 1.635 0.820) 2.058 16.965 ( 0.065 0.113 -1.550) 1.556 17.050 ( -4.548 -7.878 2.431) 9.416 17.155 ( -5.696 -9.865 -1.734) 11.523 18.345 ( 1.611 2.790 11.969) 12.395 18.896 ( 2.917 5.052 3.449) 6.777 18.966 ( -0.864 -1.497 3.454) 3.862 19.238 ( -0.930 -1.611 -1.374) 2.312 19.464 ( 2.661 4.609 -4.249) 6.810 19.493 ( 0.317 0.550 -3.376) 3.435 19.734 ( -2.034 -3.523 0.525) 4.102 19.944 ( 1.521 2.634 0.808) 3.147 19.984 ( 2.455 4.252 -5.913) 7.686 20.080 ( -2.704 -4.683 -1.915) 5.737 20.493 ( 2.625 4.547 -0.213) 5.255 20.596 ( -1.035 -1.793 -2.686) 3.391 20.843 ( 0.637 1.104 6.561) 6.683 21.194 ( 7.446 12.896 -1.508) 14.968 21.462 ( -0.770 -1.333 3.135) 3.492 21.519 ( -0.800 -1.385 6.172) 6.376 21.617 ( -5.122 -8.871 -1.291) 10.325 21.675 ( -3.702 -6.412 1.851) 7.631 22.094 ( -2.142 -3.711 7.585) 8.712 23.296 ( 0.931 1.612 -10.976) 11.133 24.001 ( 0.882 1.528 -7.749) 7.947 24.044 ( -0.879 -1.522 -9.008) 9.177 25.015 ( 3.423 5.928 8.329) 10.781 25.103 ( 0.528 0.915 8.825) 8.888 26.402 ( 6.955 12.047 -1.903) 14.040 26.773 ( -8.108 -14.043 -6.460) 17.455 98.727 ( -0.209 -0.361 3.621) 3.645 99.094 ( -0.689 -1.194 -2.304) 2.685 ======================= Grid point 218 (29/56) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.000 0.000 44.561) 44.561 1.818 ( 0.000 -0.000 44.561) 44.561 3.297 ( -0.000 -0.000 -31.828) 31.828 3.297 ( -0.000 -0.000 -31.828) 31.828 3.654 ( 0.000 0.000 90.549) 90.549 6.420 ( 0.000 0.000 4.175) 4.175 6.420 ( 0.000 0.000 4.175) 4.175 6.611 ( -0.000 -0.000 -59.310) 59.310 6.664 ( 0.000 0.000 -7.184) 7.184 6.664 ( 0.000 -0.000 -7.184) 7.184 7.525 ( 0.000 0.000 1.105) 1.105 7.577 ( -0.000 0.000 -1.389) 1.389 8.279 ( -0.000 0.000 10.814) 10.814 8.279 ( 0.000 0.000 10.814) 10.814 8.810 ( 0.000 -0.000 -16.482) 16.482 8.810 ( -0.000 0.000 -16.482) 16.482 9.395 ( 0.000 0.000 9.262) 9.262 9.679 ( -0.000 0.000 13.248) 13.248 9.679 ( 0.000 -0.000 13.248) 13.248 9.824 ( 0.000 -0.000 -14.620) 14.620 9.969 ( 0.000 -0.000 -1.439) 1.439 9.969 ( 0.000 -0.000 -1.439) 1.439 10.183 ( 0.000 0.000 25.182) 25.182 10.183 ( 0.000 0.000 25.182) 25.182 11.222 ( -0.000 -0.000 8.839) 8.839 11.343 ( 0.000 -0.000 -24.037) 24.037 11.343 ( 0.000 -0.000 -24.037) 24.037 11.593 ( -0.000 0.000 -8.851) 8.851 12.255 ( -0.000 -0.000 1.368) 1.368 12.255 ( 0.000 0.000 1.368) 1.368 12.498 ( 0.000 -0.000 22.839) 22.839 12.582 ( 0.000 -0.000 -9.716) 9.716 12.582 ( 0.000 0.000 -9.716) 9.716 13.218 ( 0.000 0.000 -13.603) 13.603 13.712 ( 0.000 0.000 11.464) 11.464 13.821 ( 0.000 0.000 5.084) 5.084 13.821 ( 0.000 0.000 5.084) 5.084 14.097 ( 0.000 -0.000 -7.174) 7.174 14.097 ( 0.000 0.000 -7.174) 7.174 14.214 ( 0.000 0.000 -14.049) 14.049 14.753 ( 0.000 -0.000 2.056) 2.056 14.753 ( 0.000 0.000 2.056) 2.056 14.756 ( 0.000 -0.000 1.293) 1.293 14.756 ( -0.000 0.000 1.293) 1.293 15.949 ( 0.000 -0.000 3.059) 3.059 15.949 ( 0.000 -0.000 3.059) 3.059 15.987 ( 0.000 0.000 1.003) 1.003 15.987 ( -0.000 -0.000 1.003) 1.003 16.889 ( 0.000 0.000 -0.579) 0.579 17.002 ( 0.000 0.000 -5.200) 5.200 17.020 ( 0.000 0.000 3.468) 3.468 17.021 ( 0.000 0.000 12.994) 12.994 17.021 ( 0.000 -0.000 12.994) 12.994 17.158 ( -0.000 0.000 -3.112) 3.112 17.440 ( 0.000 -0.000 -8.000) 8.000 17.440 ( 0.000 0.000 -8.000) 8.000 19.060 ( -0.000 -0.000 0.661) 0.661 19.060 ( 0.000 -0.000 0.661) 0.661 19.164 ( 0.000 0.000 18.809) 18.809 19.182 ( -0.000 -0.000 -5.058) 5.058 19.182 ( -0.000 0.000 -5.058) 5.058 19.698 ( 0.000 0.000 6.709) 6.709 20.067 ( -0.000 0.000 -9.603) 9.603 20.233 ( 0.000 0.000 2.646) 2.646 20.233 ( 0.000 0.000 2.646) 2.646 20.278 ( -0.000 -0.000 0.390) 0.390 20.278 ( 0.000 -0.000 0.390) 0.390 20.314 ( -0.000 0.000 -7.502) 7.502 20.827 ( 0.000 0.000 3.830) 3.830 20.827 ( 0.000 0.000 3.830) 3.830 20.996 ( -0.000 0.000 -4.043) 4.043 20.996 ( 0.000 -0.000 -4.043) 4.043 21.734 ( 0.000 0.000 2.632) 2.632 21.795 ( 0.000 0.000 0.480) 0.480 23.310 ( 0.000 -0.000 6.082) 6.082 23.683 ( 0.000 -0.000 -12.062) 12.062 23.836 ( 0.000 0.000 6.022) 6.022 23.836 ( 0.000 -0.000 6.022) 6.022 24.113 ( -0.000 0.000 -7.166) 7.166 24.113 ( 0.000 0.000 -7.166) 7.166 25.661 ( 0.000 -0.000 9.531) 9.531 25.981 ( 0.000 -0.000 -6.300) 6.300 99.632 ( 0.000 0.000 0.492) 0.492 99.652 ( -0.000 0.000 -0.452) 0.452 ======================= Grid point 219 (30/56) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 27.690 15.987 36.125) 48.243 2.587 ( 45.724 26.399 36.790) 64.352 3.486 ( 15.279 8.821 -29.499) 34.372 3.816 ( 32.131 18.551 9.086) 38.198 3.844 ( 29.216 16.868 37.498) 50.440 6.206 ( -13.241 -7.645 -34.864) 38.070 6.372 ( -2.869 -1.657 6.958) 7.707 6.624 ( 14.335 8.276 2.306) 16.713 6.737 ( 5.108 2.949 -9.485) 11.169 7.215 ( 25.815 14.904 -25.634) 39.315 7.631 ( 6.933 4.003 1.179) 8.092 7.701 ( 9.317 5.379 -2.155) 10.972 8.242 ( -2.720 -1.570 13.782) 14.135 8.268 ( 0.347 0.200 12.741) 12.748 8.794 ( -4.254 -2.456 -11.282) 12.305 8.848 ( 3.229 1.865 -15.942) 16.372 9.276 ( -5.083 -2.935 7.962) 9.892 9.577 ( -8.376 -4.836 13.339) 16.476 9.582 ( -4.226 -2.440 3.993) 6.305 9.788 ( -8.941 -5.162 2.602) 10.647 9.816 ( -1.155 -0.667 -1.507) 2.012 10.005 ( 7.122 4.112 -2.248) 8.525 10.360 ( 9.846 5.685 15.746) 19.421 10.506 ( 19.875 11.475 14.747) 27.279 11.211 ( -5.980 -3.452 -16.418) 17.811 11.403 ( 3.911 2.258 -22.610) 23.057 11.406 ( 13.242 7.645 4.808) 16.028 11.775 ( 11.196 6.464 -6.272) 14.369 12.196 ( -8.942 -5.163 5.440) 11.671 12.260 ( -9.043 -5.221 5.325) 11.721 12.324 ( 5.682 3.281 -1.914) 6.834 12.592 ( 0.988 0.571 -8.662) 8.737 12.833 ( 9.758 5.634 4.021) 11.964 12.975 ( -9.648 -5.570 0.526) 11.153 13.523 ( -11.161 -6.444 8.613) 15.501 13.747 ( -13.818 -7.978 0.017) 15.956 13.805 ( -1.198 -0.692 4.669) 4.870 14.075 ( -1.756 -1.014 -7.300) 7.577 14.102 ( 12.063 6.965 -0.437) 13.937 14.245 ( 9.212 5.318 -5.482) 11.966 14.667 ( -5.136 -2.965 4.652) 7.537 14.769 ( -1.008 -0.582 -0.642) 1.329 14.797 ( 3.083 1.780 3.745) 5.167 14.936 ( 4.675 2.699 -1.113) 5.512 15.757 ( -10.689 -6.171 -2.218) 12.541 15.775 ( -10.231 -5.907 -2.913) 12.167 15.958 ( 0.594 0.343 3.182) 3.255 16.003 ( 1.045 0.603 0.822) 1.460 16.850 ( -13.518 -7.805 9.989) 18.532 16.862 ( -10.037 -5.795 10.770) 15.822 17.027 ( -7.881 -4.550 3.051) 9.598 17.108 ( 1.138 0.657 2.274) 2.626 17.194 ( 3.487 2.013 -2.301) 4.638 17.358 ( -4.282 -2.472 -6.567) 8.220 17.396 ( 13.379 7.724 -5.907) 16.539 17.533 ( 22.177 12.804 -11.465) 28.057 18.838 ( -15.523 -8.962 3.969) 18.358 18.962 ( -8.515 -4.916 -1.019) 9.885 19.048 ( -0.892 -0.515 0.878) 1.353 19.169 ( -1.065 -0.615 -4.664) 4.824 19.298 ( -1.586 -0.916 8.459) 8.655 19.532 ( -12.844 -7.416 5.894) 15.959 19.902 ( -2.339 -1.351 2.401) 3.614 20.092 ( -4.473 -2.583 -1.292) 5.324 20.224 ( -0.681 -0.393 2.719) 2.830 20.272 ( -0.445 -0.257 0.338) 0.615 20.371 ( 1.310 0.756 -2.815) 3.195 20.406 ( 1.508 0.871 -3.900) 4.271 20.805 ( -1.772 -1.023 3.061) 3.682 20.943 ( -4.234 -2.445 -3.318) 5.908 21.024 ( 10.153 5.862 -1.057) 11.771 21.096 ( 10.195 5.886 -3.727) 12.348 21.794 ( 4.053 2.340 2.651) 5.379 21.895 ( 7.190 4.151 -3.793) 9.127 23.309 ( -3.935 -2.272 7.409) 8.691 23.603 ( -8.920 -5.150 -2.076) 10.507 23.778 ( 3.290 1.900 1.095) 3.954 23.881 ( 3.557 2.054 5.720) 7.042 24.070 ( -0.996 -0.575 -8.188) 8.268 24.145 ( 2.552 1.473 -6.871) 7.476 25.749 ( 6.811 3.932 12.191) 14.508 26.360 ( 22.840 13.187 -23.465) 35.301 99.433 ( -13.091 -7.558 8.208) 17.201 99.581 ( -5.570 -3.216 -1.657) 6.642 ======================= Grid point 220 (31/56) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 38.117 22.007 24.041) 50.151 3.340 ( 20.548 11.863 51.468) 56.674 3.977 ( 24.765 14.298 -24.085) 37.388 4.865 ( 48.796 28.172 -6.795) 56.753 4.981 ( 57.840 33.394 3.244) 66.867 6.059 ( 4.771 2.755 -28.434) 28.963 6.311 ( -2.284 -1.319 11.454) 11.753 6.867 ( 4.917 2.839 -13.584) 14.723 6.994 ( 14.102 8.142 10.339) 19.289 7.691 ( 6.934 4.003 -11.700) 14.177 7.715 ( -1.312 -0.757 5.195) 5.411 7.934 ( 8.248 4.762 -5.073) 10.791 8.295 ( 13.298 7.678 9.485) 18.049 8.360 ( 6.053 3.495 14.972) 16.523 8.610 ( -6.691 -3.863 2.705) 8.186 8.947 ( 3.260 1.882 -11.031) 11.656 9.203 ( -1.665 -0.961 1.735) 2.590 9.350 ( -6.733 -3.888 10.991) 13.463 9.620 ( 6.837 3.947 -7.838) 11.124 9.660 ( -0.285 -0.165 -5.307) 5.317 9.830 ( 2.634 1.521 3.424) 4.580 10.281 ( 15.324 8.848 -9.091) 19.894 10.613 ( 11.693 6.751 10.206) 16.925 10.967 ( 15.378 8.878 9.189) 19.993 11.107 ( -1.880 -1.085 -13.085) 13.264 11.438 ( -2.972 -1.716 -13.724) 14.146 11.791 ( 15.953 9.210 7.137) 19.755 11.901 ( -11.943 -6.895 8.473) 16.186 12.063 ( 13.470 7.777 0.872) 15.578 12.077 ( -2.827 -1.632 -1.423) 3.561 12.481 ( 5.074 2.929 -5.146) 7.798 12.675 ( 8.209 4.739 -9.147) 13.172 12.947 ( 5.939 3.429 2.199) 7.201 13.029 ( 3.565 2.058 0.056) 4.117 13.348 ( -0.939 -0.542 11.307) 11.359 13.580 ( -0.450 -0.260 1.283) 1.384 13.776 ( -0.925 -0.534 3.756) 3.905 14.019 ( -2.684 -1.549 -6.951) 7.610 14.382 ( 8.158 4.710 -1.500) 9.539 14.483 ( 9.123 5.267 -4.777) 11.566 14.512 ( -7.831 -4.521 7.428) 11.702 14.704 ( -4.444 -2.566 -2.352) 5.645 14.828 ( -2.962 -1.710 6.650) 7.477 14.939 ( -2.312 -1.335 2.567) 3.704 15.556 ( -5.301 -3.061 -2.781) 6.724 15.582 ( -6.616 -3.820 -5.080) 9.175 15.962 ( -0.906 -0.523 3.432) 3.588 16.020 ( 0.073 0.042 0.543) 0.550 16.350 ( -24.496 -14.143 5.920) 28.899 16.546 ( -15.618 -9.017 8.528) 19.949 16.652 ( -18.082 -10.440 -4.818) 21.428 16.869 ( -17.850 -10.306 -6.395) 21.581 17.371 ( 9.534 5.504 0.472) 11.019 17.418 ( 7.893 4.557 -1.127) 9.184 17.616 ( -5.571 -3.217 0.835) 6.487 17.851 ( 3.825 2.208 -7.988) 9.128 18.523 ( -7.405 -4.275 9.521) 12.797 18.772 ( -5.998 -3.463 -3.750) 7.876 19.022 ( -1.192 -0.688 1.265) 1.869 19.122 ( -8.546 -4.934 5.545) 11.320 19.134 ( -1.764 -1.018 -3.725) 4.246 19.289 ( -6.890 -3.978 -0.889) 8.005 19.891 ( 1.417 0.818 7.059) 7.246 20.080 ( 1.279 0.739 2.901) 3.255 20.203 ( -1.048 -0.605 2.698) 2.957 20.257 ( -0.773 -0.446 0.181) 0.911 20.372 ( -0.624 -0.360 -1.921) 2.052 20.437 ( 2.126 1.227 -4.117) 4.793 20.744 ( -3.270 -1.888 1.306) 3.995 20.809 ( -6.573 -3.795 -1.679) 7.774 21.199 ( 6.646 3.837 2.796) 8.168 21.384 ( 10.155 5.863 -5.103) 12.788 21.871 ( 1.584 0.915 3.964) 4.366 22.064 ( 5.615 3.242 -7.235) 9.715 23.102 ( -9.606 -5.546 6.282) 12.748 23.334 ( -14.952 -8.632 -5.602) 18.151 23.955 ( 10.588 6.113 3.149) 12.625 23.991 ( 5.381 3.107 4.932) 7.933 24.174 ( 8.724 5.037 -7.517) 12.570 24.222 ( 3.520 2.032 -6.023) 7.266 25.948 ( 9.206 5.315 15.719) 18.976 26.794 ( 12.326 7.117 -29.500) 32.754 99.147 ( -9.844 -5.684 11.334) 16.052 99.415 ( -7.725 -4.460 -3.651) 9.638 ======================= Grid point 221 (32/56) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( 21.653 12.501 38.670) 46.048 3.923 ( 38.805 22.404 15.159) 47.303 4.610 ( 27.063 15.625 -17.802) 35.965 5.443 ( 6.472 3.737 -39.896) 40.590 6.252 ( -3.002 -1.733 14.515) 14.923 6.373 ( 40.957 23.646 -1.498) 47.317 6.612 ( 31.307 18.075 -12.117) 38.127 6.922 ( -1.304 -0.753 -16.353) 16.422 7.284 ( 18.655 10.771 19.456) 29.027 7.618 ( -5.410 -3.123 11.249) 12.867 7.704 ( 4.434 2.560 5.128) 7.246 8.036 ( -0.154 -0.089 -7.693) 7.695 8.385 ( -4.198 -2.424 15.406) 16.151 8.418 ( 0.327 0.189 17.171) 17.175 8.860 ( -8.591 -4.960 -2.887) 10.332 8.932 ( 23.344 13.478 6.339) 27.691 9.322 ( 15.288 8.827 -8.764) 19.709 9.477 ( 14.902 8.603 1.794) 17.300 9.734 ( 1.900 1.097 -20.796) 20.911 9.806 ( 10.715 6.186 -13.022) 17.963 9.997 ( 10.411 6.011 12.882) 17.621 10.609 ( 6.706 3.872 -10.458) 13.013 10.913 ( 12.714 7.341 7.059) 16.290 11.097 ( -1.045 -0.604 2.747) 3.000 11.177 ( 9.485 5.476 -6.628) 12.802 11.325 ( -2.815 -1.625 -5.288) 6.207 11.743 ( -2.671 -1.542 9.923) 10.391 12.045 ( 5.554 3.207 8.760) 10.857 12.177 ( 8.322 4.805 -12.486) 15.756 12.374 ( 6.238 3.602 -2.604) 7.660 12.611 ( 11.274 6.509 2.318) 13.223 12.944 ( -4.612 -2.663 5.790) 7.867 12.973 ( 14.365 8.294 -11.709) 20.304 13.178 ( 4.895 2.826 -2.227) 6.075 13.446 ( 6.984 4.032 8.619) 11.803 13.706 ( 10.641 6.143 1.280) 12.353 13.775 ( 1.150 0.664 3.775) 4.002 13.962 ( -1.672 -0.965 -4.921) 5.286 14.304 ( -9.077 -5.241 7.719) 13.017 14.330 ( -16.882 -9.747 6.167) 20.446 14.501 ( -2.810 -1.622 1.246) 3.475 14.559 ( -7.535 -4.350 -4.198) 9.660 14.730 ( -8.388 -4.843 -2.027) 9.895 14.870 ( -0.609 -0.352 -4.509) 4.563 15.385 ( -5.494 -3.172 3.870) 7.431 15.589 ( 3.142 1.814 -1.393) 3.886 15.844 ( -10.857 -6.268 4.559) 13.340 15.900 ( -11.370 -6.564 2.623) 13.388 15.983 ( -5.537 -3.197 -2.139) 6.742 16.187 ( -11.953 -6.901 5.624) 14.904 16.249 ( -14.096 -8.138 -9.961) 19.082 16.429 ( -15.095 -8.715 -5.064) 18.151 17.242 ( -19.346 -11.170 8.081) 23.756 17.580 ( 8.048 4.646 2.025) 9.511 17.668 ( 11.423 6.595 -1.928) 13.330 17.713 ( -11.556 -6.672 -12.250) 18.114 18.385 ( -7.678 -4.433 12.599) 15.406 18.679 ( -3.850 -2.223 -3.328) 5.553 18.997 ( -0.803 -0.464 1.532) 1.791 19.020 ( -0.460 -0.266 5.137) 5.165 19.090 ( -1.838 -1.061 -2.499) 3.279 19.240 ( 3.029 1.749 -4.956) 6.066 19.976 ( 5.218 3.013 6.645) 8.970 20.097 ( 0.288 0.166 6.377) 6.386 20.178 ( -0.934 -0.539 2.189) 2.440 20.239 ( -0.645 -0.372 -0.127) 0.756 20.370 ( 0.554 0.320 -1.575) 1.700 20.499 ( 2.937 1.696 -7.254) 8.007 20.638 ( -6.498 -3.752 0.315) 7.510 20.664 ( -4.257 -2.458 -0.620) 4.955 21.328 ( 3.477 2.007 5.548) 6.849 21.546 ( 3.043 1.757 -3.550) 4.995 21.867 ( -0.853 -0.493 6.408) 6.483 22.138 ( 0.857 0.495 -6.670) 6.743 22.850 ( -14.603 -8.431 1.138) 16.900 23.030 ( -5.939 -3.429 -6.865) 9.704 24.122 ( 5.345 3.086 3.693) 7.192 24.214 ( 10.126 5.846 3.976) 12.350 24.298 ( 2.565 1.481 -4.638) 5.503 24.410 ( 10.009 5.779 -5.735) 12.902 26.160 ( 8.175 4.720 15.941) 18.526 26.970 ( 3.419 1.974 -24.171) 24.491 98.967 ( -5.531 -3.193 9.131) 11.143 99.239 ( -6.591 -3.805 -4.621) 8.904 ======================= Grid point 222 (33/56) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.350 ( 20.670 11.934 21.463) 32.099 4.790 ( 32.593 18.817 7.785) 38.432 5.195 ( 19.784 11.422 -11.279) 25.477 5.488 ( -1.132 -0.654 -32.424) 32.450 6.147 ( -6.061 -3.499 15.330) 16.852 6.645 ( -3.285 -1.897 -1.931) 4.257 6.789 ( -8.868 -5.120 -13.486) 16.933 6.829 ( -6.726 -3.883 -9.808) 12.511 7.486 ( -5.287 -3.053 13.250) 14.589 7.933 ( -6.490 -3.747 -1.753) 7.696 8.043 ( 20.787 12.001 9.791) 25.923 8.239 ( 34.662 20.012 3.021) 40.138 8.314 ( -0.199 -0.115 5.412) 5.417 8.571 ( 16.418 9.479 23.997) 30.582 8.662 ( -6.930 -4.001 -4.264) 9.067 9.449 ( 18.660 10.773 12.655) 24.989 9.656 ( 4.563 2.634 -20.525) 21.191 9.826 ( 11.517 6.649 -3.464) 13.742 9.898 ( 11.929 6.887 -13.118) 19.021 10.040 ( 6.976 4.027 -13.448) 15.676 10.217 ( 8.864 5.118 11.846) 15.655 10.586 ( 2.944 1.700 2.574) 4.264 11.077 ( -2.251 -1.300 6.797) 7.277 11.235 ( 15.656 9.039 10.454) 20.883 11.382 ( -0.192 -0.111 -8.465) 8.468 11.526 ( 15.330 8.851 -2.604) 17.892 11.704 ( 2.099 1.212 5.855) 6.337 12.092 ( -0.686 -0.396 6.910) 6.955 12.267 ( -3.197 -1.846 -18.149) 18.521 12.356 ( -5.030 -2.904 -3.493) 6.777 12.706 ( -16.094 -9.292 6.669) 19.744 12.908 ( 9.601 5.543 4.833) 12.094 13.044 ( -14.809 -8.550 -4.702) 17.735 13.274 ( 8.773 5.065 -10.637) 14.689 13.628 ( 8.464 4.887 12.712) 16.035 13.836 ( 3.139 1.812 5.386) 6.492 13.967 ( 2.534 1.463 -1.978) 3.532 13.977 ( 7.647 4.415 2.696) 9.233 14.126 ( -4.169 -2.407 3.489) 5.945 14.154 ( 4.505 2.601 -1.919) 5.545 14.308 ( -6.924 -3.998 -4.893) 9.374 14.371 ( -7.347 -4.242 -6.888) 10.928 14.531 ( -2.476 -1.429 -0.655) 2.933 14.866 ( -1.788 -1.032 -12.033) 12.209 15.284 ( -4.649 -2.684 7.904) 9.554 15.493 ( -15.349 -8.862 3.929) 18.154 15.545 ( -8.412 -4.857 -3.586) 10.354 15.642 ( -16.802 -9.701 -3.528) 19.720 15.761 ( -2.483 -1.433 7.617) 8.139 16.033 ( -4.363 -2.519 -3.508) 6.139 16.078 ( -0.746 -0.431 4.968) 5.043 16.245 ( -2.684 -1.550 -2.775) 4.160 16.882 ( -8.799 -5.080 10.598) 14.682 17.487 ( -5.442 -3.142 -15.014) 16.276 17.741 ( 4.980 2.875 3.801) 6.893 17.905 ( 7.584 4.378 -3.898) 9.585 18.168 ( -9.260 -5.346 16.395) 19.573 18.594 ( -2.316 -1.337 -5.816) 6.401 18.990 ( 0.306 0.177 1.554) 1.594 19.020 ( 0.284 0.164 5.513) 5.523 19.049 ( -1.592 -0.919 -0.950) 2.070 19.346 ( 3.398 1.962 -8.921) 9.746 20.046 ( 0.077 0.044 6.395) 6.395 20.159 ( -0.697 -0.403 1.458) 1.666 20.176 ( 6.545 3.779 5.871) 9.570 20.234 ( 0.299 0.173 -1.196) 1.245 20.379 ( -0.486 -0.281 -2.529) 2.591 20.492 ( -5.158 -2.978 2.265) 6.372 20.573 ( 2.995 1.729 -7.572) 8.324 20.579 ( -2.736 -1.580 -1.694) 3.585 21.362 ( 0.020 0.011 5.284) 5.284 21.518 ( -4.134 -2.387 -1.651) 5.051 21.883 ( 1.648 0.952 6.833) 7.094 22.137 ( 0.046 0.026 -5.548) 5.548 22.515 ( -11.383 -6.572 7.629) 15.197 22.976 ( -0.470 -0.272 -14.136) 14.146 24.236 ( 3.977 2.296 1.954) 4.990 24.335 ( 0.494 0.285 -2.772) 2.830 24.408 ( 5.768 3.330 4.875) 8.254 24.611 ( 6.228 3.596 -4.441) 8.453 26.321 ( 4.969 2.869 13.831) 14.974 27.001 ( -0.076 -0.044 -18.444) 18.444 98.873 ( -2.513 -1.451 7.057) 7.631 99.115 ( -3.656 -2.111 -4.698) 6.316 ======================= Grid point 223 (34/56) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.652 ( 0.000 0.000 11.685) 11.685 5.347 ( 0.000 0.000 -1.982) 1.982 5.369 ( -0.000 -0.000 -1.849) 1.849 5.442 ( 0.000 0.000 -23.414) 23.414 6.031 ( 0.000 0.000 15.528) 15.528 6.601 ( 0.000 0.000 -4.671) 4.671 6.638 ( 0.000 0.000 -11.056) 11.056 6.687 ( 0.000 0.000 -7.035) 7.035 7.410 ( 0.000 0.000 13.631) 13.631 7.842 ( 0.000 0.000 0.446) 0.446 8.223 ( 0.000 0.000 20.750) 20.750 8.329 ( 0.000 0.000 0.022) 0.022 8.569 ( 0.000 0.000 -4.516) 4.516 8.626 ( 0.000 0.000 -1.958) 1.958 9.204 ( -0.000 -0.000 9.030) 9.030 9.228 ( 0.000 0.000 0.390) 0.390 9.907 ( -0.000 -0.000 -8.875) 8.875 9.937 ( 0.000 0.000 -12.366) 12.366 9.969 ( 0.000 0.000 -5.389) 5.389 10.117 ( 0.000 0.000 -12.938) 12.938 10.663 ( -0.000 -0.000 16.126) 16.126 10.760 ( 0.000 0.000 9.220) 9.220 10.989 ( -0.000 -0.000 14.578) 14.578 11.073 ( 0.000 0.000 0.085) 0.085 11.567 ( 0.000 0.000 11.601) 11.601 11.640 ( -0.000 -0.000 7.390) 7.390 11.877 ( 0.000 0.000 -5.123) 5.123 12.078 ( 0.000 0.000 -6.969) 6.969 12.150 ( 0.000 0.000 -1.704) 1.704 12.192 ( 0.000 0.000 -2.871) 2.871 12.511 ( 0.000 0.000 -4.569) 4.569 12.775 ( -0.000 -0.000 -15.535) 15.535 13.042 ( 0.000 0.000 4.820) 4.820 13.341 ( 0.000 0.000 -8.268) 8.268 13.787 ( -0.000 -0.000 8.192) 8.192 13.871 ( 0.000 0.000 5.187) 5.187 13.950 ( 0.000 0.000 5.624) 5.624 14.033 ( 0.000 0.000 -0.817) 0.817 14.115 ( 0.000 0.000 -0.059) 0.059 14.193 ( 0.000 0.000 0.432) 0.432 14.264 ( 0.000 0.000 -8.569) 8.569 14.402 ( 0.000 0.000 -4.610) 4.610 14.598 ( 0.000 0.000 -4.573) 4.573 14.773 ( 0.000 0.000 -12.630) 12.630 15.252 ( -0.000 -0.000 3.828) 3.828 15.272 ( 0.000 0.000 3.955) 3.955 15.326 ( 0.000 0.000 -0.019) 0.019 15.413 ( 0.000 0.000 -2.657) 2.657 15.735 ( -0.000 -0.000 9.157) 9.157 15.983 ( 0.000 0.000 -1.239) 1.239 16.072 ( 0.000 0.000 4.541) 4.541 16.219 ( 0.000 0.000 -2.380) 2.380 16.799 ( 0.000 0.000 11.776) 11.776 17.441 ( 0.000 0.000 -14.968) 14.968 17.802 ( 0.000 0.000 4.483) 4.483 17.999 ( 0.000 0.000 -4.861) 4.861 18.032 ( 0.000 0.000 18.866) 18.866 18.571 ( 0.000 0.000 -7.581) 7.581 19.006 ( 0.000 0.000 0.911) 0.911 19.018 ( -0.000 -0.000 0.527) 0.527 19.028 ( 0.000 0.000 4.731) 4.731 19.378 ( 0.000 0.000 -9.912) 9.912 20.044 ( 0.000 0.000 6.637) 6.637 20.149 ( 0.000 0.000 1.215) 1.215 20.243 ( -0.000 -0.000 -2.827) 2.827 20.317 ( -0.000 -0.000 8.330) 8.330 20.323 ( 0.000 0.000 -7.545) 7.545 20.422 ( 0.000 0.000 4.071) 4.071 20.545 ( 0.000 0.000 -2.078) 2.078 20.615 ( 0.000 0.000 -7.009) 7.009 21.359 ( 0.000 0.000 3.474) 3.474 21.450 ( 0.000 0.000 0.528) 0.528 21.901 ( 0.000 0.000 6.206) 6.206 22.156 ( 0.000 0.000 -5.960) 5.960 22.361 ( 0.000 0.000 12.555) 12.555 22.974 ( 0.000 0.000 -16.813) 16.813 24.296 ( 0.000 0.000 0.403) 0.403 24.329 ( 0.000 0.000 -1.176) 1.176 24.478 ( 0.000 0.000 5.280) 5.280 24.688 ( 0.000 0.000 -3.964) 3.964 26.383 ( 0.000 0.000 12.507) 12.507 26.995 ( 0.000 0.000 -16.056) 16.056 98.843 ( 0.000 0.000 6.321) 6.321 99.071 ( 0.000 0.000 -4.618) 4.618 ======================= Grid point 230 (35/56) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 22.537 39.036 26.875) 52.478 3.183 ( 13.516 23.411 49.118) 56.065 3.866 ( 15.087 26.132 -24.667) 38.974 4.524 ( 32.240 55.841 36.083) 73.889 4.591 ( 25.942 44.933 -26.426) 58.226 6.027 ( -2.231 -3.864 -28.308) 28.658 6.455 ( 1.121 1.942 1.922) 2.954 6.642 ( 3.773 6.535 3.503) 8.320 7.029 ( 8.831 15.296 -3.036) 17.921 7.546 ( 4.837 8.377 -13.889) 16.926 7.827 ( 10.071 17.444 -4.068) 20.549 7.881 ( 5.539 9.594 -3.365) 11.578 8.193 ( -1.724 -2.986 14.399) 14.806 8.283 ( 2.355 4.080 14.314) 15.069 8.726 ( -2.715 -4.703 2.228) 5.870 8.854 ( 0.473 0.820 -14.932) 14.962 9.191 ( -3.150 -5.455 3.165) 7.050 9.431 ( -2.908 -5.037 1.379) 5.978 9.539 ( -2.412 -4.178 13.594) 14.425 9.773 ( 0.727 1.260 -4.987) 5.195 9.883 ( 4.267 7.390 -0.724) 8.564 9.995 ( 3.145 5.447 -5.361) 8.264 10.661 ( 3.961 6.860 7.946) 11.220 10.747 ( 11.665 20.204 5.466) 23.961 11.286 ( 4.593 7.955 -12.654) 15.637 11.339 ( -0.935 -1.620 -9.551) 9.732 11.728 ( 9.574 16.583 0.673) 19.160 11.916 ( 1.351 2.340 -0.707) 2.793 12.022 ( -6.237 -10.803 6.717) 14.168 12.083 ( -1.139 -1.973 5.661) 6.102 12.496 ( 6.356 11.009 -9.043) 15.601 12.609 ( 1.046 1.813 -5.498) 5.883 12.939 ( 3.055 5.291 0.912) 6.177 12.975 ( 2.921 5.059 2.673) 6.424 13.346 ( -4.135 -7.162 9.588) 12.662 13.547 ( -3.872 -6.706 0.869) 7.792 13.828 ( 0.643 1.114 5.485) 5.633 14.106 ( 0.234 0.405 -6.358) 6.376 14.307 ( 1.367 2.368 -2.285) 3.563 14.318 ( 6.141 10.637 -3.475) 12.764 14.666 ( -0.495 -0.857 4.053) 4.172 14.678 ( -0.921 -1.596 0.981) 2.088 14.858 ( 0.580 1.004 3.093) 3.303 14.952 ( -1.123 -1.945 2.255) 3.183 15.574 ( -4.948 -8.570 -1.748) 10.049 15.618 ( -4.898 -8.484 -6.703) 11.870 15.988 ( 1.077 1.865 3.357) 3.988 16.027 ( 0.469 0.813 0.916) 1.311 16.507 ( -13.615 -23.582 8.392) 28.494 16.697 ( -7.226 -12.516 3.309) 14.826 16.699 ( -11.990 -20.767 6.058) 24.733 16.972 ( -10.491 -18.171 -10.600) 23.508 17.263 ( 4.381 7.588 2.976) 9.254 17.355 ( 3.040 5.265 -1.619) 6.291 17.712 ( 7.249 12.556 -3.794) 14.987 17.786 ( 2.645 4.581 -8.036) 9.620 18.651 ( -6.432 -11.140 6.462) 14.395 18.711 ( -5.021 -8.697 2.834) 10.435 19.028 ( -2.580 -4.469 -2.335) 5.664 19.092 ( -2.843 -4.924 -4.474) 7.235 19.273 ( -1.200 -2.079 5.270) 5.791 19.356 ( -3.763 -6.518 2.941) 8.081 19.890 ( -0.415 -0.719 5.076) 5.144 20.032 ( -1.066 -1.847 0.954) 2.336 20.223 ( -0.093 -0.161 2.599) 2.606 20.245 ( -0.838 -1.452 0.841) 1.875 20.382 ( -1.194 -2.069 -1.403) 2.770 20.417 ( 1.441 2.496 -3.817) 4.783 20.788 ( -0.742 -1.285 1.162) 1.884 20.817 ( -3.582 -6.204 -0.403) 7.175 21.184 ( 4.099 7.100 0.696) 8.228 21.321 ( 7.459 12.919 -5.345) 15.846 21.879 ( 2.594 4.494 2.490) 5.755 22.006 ( 3.029 5.246 -6.260) 8.711 23.184 ( -5.093 -8.822 8.201) 13.078 23.451 ( -8.459 -14.652 -5.657) 17.839 23.722 ( 2.245 3.889 5.405) 7.027 23.966 ( -0.815 -1.412 -4.276) 4.577 24.183 ( 8.057 13.954 -3.070) 16.403 24.254 ( 4.900 8.487 -4.002) 10.585 25.888 ( 4.995 8.651 14.937) 17.969 26.700 ( 8.723 15.109 -29.713) 34.456 99.214 ( -6.457 -11.184 11.388) 17.219 99.464 ( -4.352 -7.538 -3.179) 9.266 ======================= Grid point 231 (36/56) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 16.910 19.567 39.667) 47.353 3.679 ( 27.339 37.665 21.309) 51.187 4.481 ( 18.134 32.367 -18.645) 41.522 5.323 ( 14.105 12.267 -36.139) 40.687 5.835 ( 44.096 42.193 6.464) 61.372 6.248 ( 20.860 16.730 -12.718) 29.611 6.465 ( -3.019 13.908 7.527) 16.100 6.878 ( 11.386 6.658 -2.493) 13.423 7.270 ( 1.368 13.723 8.497) 16.198 7.557 ( 0.573 -6.028 4.633) 7.625 7.879 ( -8.818 3.402 2.740) 9.840 8.082 ( -1.183 6.979 -2.733) 7.588 8.318 ( 6.736 1.733 9.968) 12.155 8.491 ( 7.467 8.863 5.588) 12.866 8.680 ( 6.391 4.672 9.287) 12.204 8.936 ( 4.594 4.207 -10.319) 12.053 9.109 ( 4.489 -5.367 0.796) 7.042 9.374 ( 0.832 2.503 5.907) 6.469 9.539 ( 11.233 -5.166 -2.537) 12.621 9.752 ( -2.863 0.581 -7.686) 8.222 10.077 ( 2.873 20.267 -3.264) 20.728 10.334 ( 20.817 2.739 -8.940) 22.820 10.725 ( 3.934 -2.584 2.302) 5.240 11.130 ( -2.528 -0.662 -12.427) 12.698 11.222 ( 4.287 14.010 6.425) 15.998 11.433 ( -2.515 3.750 -4.049) 6.064 11.822 ( -3.729 4.386 4.112) 7.075 11.972 ( 9.719 0.638 -1.457) 9.848 12.097 ( 4.741 14.121 4.046) 15.435 12.287 ( 14.061 11.443 6.228) 19.169 12.607 ( -2.874 7.633 -4.412) 9.273 12.783 ( 11.599 3.378 -10.216) 15.821 13.017 ( -0.509 2.586 0.744) 2.739 13.121 ( 5.596 8.313 -2.117) 10.242 13.328 ( 6.176 -0.901 9.239) 11.149 13.518 ( 5.773 -2.162 1.245) 6.289 13.834 ( -0.573 2.563 6.742) 7.235 14.053 ( -7.373 2.838 -4.447) 9.066 14.296 ( 0.406 -10.633 3.504) 11.203 14.404 ( 0.119 -5.223 -1.277) 5.378 14.608 ( -11.928 0.554 2.827) 12.271 14.679 ( -1.858 0.478 -0.734) 2.054 14.826 ( -3.426 3.364 2.860) 5.589 14.907 ( -1.527 -0.998 -0.967) 2.064 15.417 ( -6.180 -9.545 -1.687) 11.495 15.480 ( 3.295 -6.187 -2.931) 7.597 15.951 ( -9.056 -5.852 3.408) 11.308 15.981 ( -10.870 -14.869 7.554) 19.907 16.037 ( -2.455 -1.856 1.176) 3.295 16.249 ( -11.363 -19.248 7.127) 23.461 16.438 ( -11.541 -8.620 -9.349) 17.173 16.552 ( -11.563 -14.366 -8.735) 20.405 17.412 ( 0.227 -2.804 1.764) 3.321 17.467 ( 3.685 0.401 -0.773) 3.786 17.586 ( -10.012 -3.913 0.273) 10.753 17.758 ( -3.280 -12.334 -7.881) 15.000 18.482 ( -5.198 -1.119 11.649) 12.805 18.685 ( 1.843 -0.531 1.268) 2.299 18.948 ( -0.274 0.813 -0.552) 1.020 19.052 ( 2.816 -2.820 -4.134) 5.742 19.199 ( -7.210 4.329 2.076) 8.662 19.265 ( -2.753 -0.828 -0.000) 2.875 19.889 ( 2.846 -1.222 5.255) 6.100 20.018 ( 2.765 -5.371 2.796) 6.656 20.202 ( -1.891 -0.547 1.856) 2.705 20.231 ( 0.464 -1.162 1.635) 2.059 20.338 ( -0.035 -2.889 0.236) 2.899 20.470 ( 1.403 2.056 -5.054) 5.633 20.716 ( -2.610 -1.815 0.554) 3.227 20.750 ( -3.500 1.323 -1.280) 3.955 21.334 ( 2.971 8.062 4.467) 9.684 21.531 ( 4.285 6.952 -2.825) 8.641 21.913 ( -3.436 2.111 3.188) 5.140 22.081 ( 3.435 -2.463 -5.740) 7.129 23.000 ( -9.859 -5.266 0.683) 11.198 23.092 ( -9.314 -13.692 -3.221) 16.870 23.853 ( 10.258 -3.437 1.208) 10.885 23.987 ( 6.973 -5.102 -4.480) 9.733 24.441 ( 1.918 16.998 0.270) 17.108 24.492 ( 5.707 17.159 -2.087) 18.204 26.075 ( 6.722 6.303 15.966) 18.435 26.911 ( 4.562 3.068 -26.366) 26.933 99.019 ( -5.205 -6.049 10.036) 12.822 99.297 ( -5.509 -6.431 -4.411) 9.548 ======================= Grid point 232 (37/56) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.124 ( 19.720 16.725 26.557) 37.066 4.570 ( 25.546 36.775 10.015) 45.884 5.118 ( 14.195 31.208 -13.425) 36.819 5.494 ( 2.709 3.367 -33.293) 33.572 6.290 ( -5.858 5.950 9.986) 13.017 6.633 ( 5.304 0.815 -4.531) 7.023 6.806 ( 4.770 4.495 -8.954) 11.096 7.060 ( -7.818 10.138 -10.386) 16.486 7.453 ( 2.773 -2.510 9.441) 10.155 7.772 ( 21.578 14.698 11.341) 28.465 7.883 ( 8.785 11.280 3.484) 14.716 8.113 ( 1.996 14.458 5.171) 15.484 8.399 ( -1.447 10.377 8.027) 13.199 8.544 ( 1.002 8.059 17.735) 19.506 8.727 ( -5.355 -4.650 -0.596) 7.117 9.225 ( 17.104 13.597 8.216) 23.344 9.458 ( 25.759 1.275 -1.556) 25.837 9.520 ( 14.540 -4.859 -2.949) 15.612 9.686 ( 6.166 -5.130 -8.589) 11.752 9.887 ( 16.877 10.249 -16.712) 25.868 10.297 ( -1.077 12.262 1.321) 12.380 10.565 ( 1.625 -3.487 -5.644) 6.831 10.779 ( 12.647 -12.454 3.815) 18.155 10.944 ( 2.181 -9.215 -1.813) 9.642 11.467 ( 3.818 12.297 -1.183) 12.930 11.603 ( 3.847 18.959 -5.973) 20.247 11.854 ( -3.070 14.874 5.419) 16.125 12.120 ( 2.614 -0.335 -3.456) 4.347 12.263 ( 0.164 9.578 -0.839) 9.616 12.491 ( -7.211 4.860 -0.916) 8.744 12.756 ( 6.613 2.714 6.172) 9.445 12.898 ( 1.264 3.253 1.394) 3.758 13.072 ( 1.634 -5.600 -3.263) 6.684 13.210 ( 1.887 2.954 -2.853) 4.520 13.462 ( 9.693 -1.223 4.949) 10.951 13.675 ( 11.124 -0.370 1.383) 11.215 13.921 ( -0.957 -1.175 1.906) 2.435 14.001 ( 5.280 12.113 3.344) 13.630 14.139 ( -10.836 -8.201 3.590) 14.055 14.207 ( -3.057 -8.435 -1.024) 9.030 14.383 ( -6.677 1.080 0.098) 6.764 14.515 ( -13.074 -5.315 -2.114) 14.270 14.726 ( -11.747 4.513 -4.124) 13.242 14.894 ( -0.945 1.597 -7.171) 7.407 15.271 ( -1.481 -7.520 5.284) 9.310 15.461 ( 0.009 -15.302 -1.929) 15.423 15.641 ( -8.283 -10.989 3.904) 14.305 15.725 ( -3.771 -10.868 0.987) 11.546 15.869 ( -9.440 -6.967 2.215) 11.940 16.033 ( -6.892 -4.308 0.865) 8.174 16.170 ( -5.690 2.386 -0.521) 6.192 16.375 ( -6.283 1.570 -6.854) 9.429 17.023 ( -16.681 -11.053 6.147) 20.934 17.403 ( -1.088 -18.529 -9.369) 20.791 17.596 ( 5.562 -6.249 1.955) 8.591 17.692 ( 8.720 -8.194 -3.383) 12.435 18.369 ( -9.208 4.359 14.508) 17.728 18.680 ( -2.487 4.590 -1.975) 5.582 18.985 ( -0.431 2.340 2.846) 3.710 19.081 ( -0.887 1.677 -1.106) 2.196 19.146 ( -4.154 6.441 -0.922) 7.719 19.292 ( 4.569 2.569 -5.090) 7.307 19.950 ( 5.010 -4.634 3.391) 7.621 20.011 ( 4.663 -7.504 3.186) 9.392 20.151 ( -0.629 -3.362 2.932) 4.505 20.229 ( 1.205 -1.973 1.424) 2.715 20.335 ( 0.719 0.129 0.566) 0.924 20.499 ( 0.041 0.514 -5.659) 5.682 20.687 ( -3.834 7.220 0.042) 8.175 20.714 ( -3.808 5.736 -1.975) 7.163 21.413 ( -2.329 5.469 6.085) 8.506 21.605 ( -3.481 3.341 -2.047) 5.241 21.848 ( -0.454 -2.397 6.061) 6.533 22.084 ( 2.389 -5.923 -5.240) 8.261 22.643 ( -13.021 -11.290 5.123) 17.979 22.984 ( -0.871 -0.810 -11.090) 11.154 23.992 ( 11.084 -7.199 -0.565) 13.228 24.071 ( 9.397 -8.668 -4.036) 13.406 24.624 ( -2.035 17.919 3.603) 18.391 24.740 ( 0.707 18.628 -1.407) 18.695 26.242 ( 6.285 2.917 14.104) 15.714 26.956 ( 1.823 -3.666 -20.223) 20.633 98.900 ( -2.989 -3.049 7.703) 8.808 99.153 ( -4.099 -4.253 -4.705) 7.552 ======================= Grid point 233 (38/56) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.587 ( 11.917 10.894 11.952) 20.088 5.213 ( 11.259 10.274 -7.663) 17.060 5.499 ( 0.888 20.455 -7.656) 21.859 5.635 ( -1.895 19.872 -11.695) 23.136 6.191 ( -10.247 7.063 12.444) 17.599 6.571 ( -4.264 -2.842 -7.350) 8.960 6.760 ( -6.404 3.398 -4.038) 8.299 6.905 ( -14.791 10.388 -4.719) 18.680 7.426 ( -1.191 -1.080 7.791) 7.955 7.730 ( 0.498 -13.214 2.564) 13.470 8.255 ( 2.653 8.915 5.050) 10.584 8.457 ( -1.106 12.580 7.573) 14.725 8.547 ( -2.619 -0.670 -5.007) 5.690 8.613 ( 6.521 7.955 4.867) 11.379 8.924 ( 23.547 19.482 10.386) 32.278 9.456 ( -11.483 -8.212 0.898) 14.146 9.631 ( 12.808 -15.314 1.369) 20.011 9.736 ( 10.874 -8.388 -7.440) 15.620 9.966 ( 14.341 7.213 -6.245) 17.225 10.234 ( 0.012 9.418 -15.932) 18.508 10.407 ( 18.389 10.110 10.118) 23.297 10.674 ( 18.573 5.809 5.234) 20.151 10.809 ( 4.297 -17.778 6.193) 19.310 11.096 ( 8.982 -2.400 -0.202) 9.299 11.446 ( -11.146 -5.188 2.361) 12.519 11.689 ( -12.389 -6.070 -0.830) 13.821 11.963 ( 4.548 15.374 4.629) 16.688 12.138 ( -1.883 5.253 -3.479) 6.576 12.271 ( -10.125 -2.286 -1.803) 10.535 12.357 ( -5.054 10.822 -5.040) 12.964 12.606 ( -5.679 3.924 2.168) 7.235 12.856 ( -11.883 -5.007 -3.338) 13.320 13.108 ( 3.419 10.566 2.676) 11.423 13.355 ( 6.164 3.235 -4.452) 8.263 13.648 ( 5.153 -5.097 2.878) 7.798 13.711 ( 3.671 -12.149 6.336) 14.186 13.832 ( 4.177 -11.795 -3.238) 12.925 13.977 ( -1.877 -4.158 -0.262) 4.569 14.142 ( -1.572 3.151 1.877) 3.991 14.246 ( 0.036 1.069 -3.755) 3.905 14.345 ( 2.120 12.022 1.274) 12.274 14.474 ( 1.414 12.283 -4.009) 12.997 14.644 ( -2.831 9.605 -4.149) 10.839 14.841 ( -5.538 -1.742 -11.551) 12.928 15.156 ( 0.698 -7.630 3.909) 8.602 15.219 ( -3.648 -12.247 1.443) 12.860 15.447 ( -4.668 -3.813 0.499) 6.048 15.530 ( -11.019 -3.592 -2.528) 11.862 15.704 ( -2.313 -3.451 7.182) 8.297 15.897 ( -0.832 -6.803 -1.975) 7.133 16.164 ( -3.315 6.462 4.723) 8.663 16.296 ( -3.551 1.729 -0.860) 4.042 16.786 ( -1.853 -3.842 8.289) 9.322 17.284 ( 6.968 -14.021 -11.839) 19.629 17.570 ( 5.831 -15.922 5.356) 17.782 17.744 ( 11.323 -17.333 -3.797) 21.049 18.274 ( -9.745 11.632 15.642) 21.793 18.708 ( -4.019 9.880 -5.121) 11.832 19.006 ( 0.708 2.807 3.900) 4.857 19.059 ( -4.350 3.449 3.167) 6.391 19.168 ( -3.404 8.941 -4.512) 10.578 19.374 ( 1.314 1.078 -8.760) 8.923 19.945 ( 3.179 -7.170 3.917) 8.767 20.012 ( 5.203 -10.712 -0.417) 11.916 20.157 ( 5.707 -6.003 4.316) 9.340 20.237 ( 3.077 -4.082 0.697) 5.159 20.338 ( -2.754 3.826 0.590) 4.751 20.486 ( -2.405 2.246 -6.741) 7.501 20.692 ( -5.425 9.548 1.311) 11.060 20.754 ( -3.719 11.686 -1.932) 12.415 21.400 ( -2.698 3.156 4.290) 5.970 21.504 ( -5.980 0.405 0.084) 5.994 21.860 ( 2.759 -3.445 5.984) 7.436 22.080 ( 4.433 -5.749 -4.578) 8.582 22.386 ( -5.346 -5.268 11.712) 13.911 22.977 ( -0.230 0.465 -16.330) 16.338 24.086 ( 9.013 -10.052 -1.779) 13.618 24.122 ( 7.240 -10.600 -3.530) 13.313 24.726 ( -6.521 16.422 5.643) 18.548 24.883 ( -5.305 16.529 -0.954) 17.386 26.346 ( 3.379 -0.249 11.553) 12.040 26.935 ( 2.491 -6.290 -15.834) 17.219 98.845 ( -0.830 -1.194 6.357) 6.521 99.072 ( -1.239 -1.898 -4.596) 5.125 ======================= Grid point 241 (39/56) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( 12.912 22.365 28.181) 38.224 4.549 ( 23.708 41.063 9.711) 48.400 5.204 ( 20.163 34.924 -13.006) 42.372 5.469 ( 3.351 5.804 -31.406) 32.113 6.440 ( 8.139 14.097 -6.332) 17.466 6.474 ( 2.255 3.905 0.629) 4.553 6.782 ( 7.326 12.689 0.827) 14.676 7.164 ( 6.446 11.164 -7.808) 15.072 7.475 ( -0.785 -1.359 6.766) 6.946 7.677 ( 10.588 18.339 20.374) 29.386 7.883 ( 5.853 10.138 -5.046) 12.747 8.164 ( 4.455 7.715 4.442) 9.955 8.502 ( 5.070 8.781 12.892) 16.402 8.675 ( 2.076 3.596 2.229) 4.713 8.708 ( 2.353 4.075 11.829) 12.731 9.066 ( 1.576 2.729 4.276) 5.311 9.232 ( 10.942 18.952 -11.388) 24.670 9.322 ( 0.177 0.307 11.909) 11.914 9.538 ( -0.225 -0.390 -7.826) 7.839 9.792 ( 4.966 8.602 -11.033) 14.846 10.412 ( 3.689 6.390 -1.756) 7.584 10.450 ( 4.300 7.447 -6.712) 10.908 10.637 ( -2.164 -3.748 -0.748) 4.392 10.900 ( -6.346 -10.992 -5.615) 13.879 11.487 ( 3.755 6.504 -1.957) 7.761 11.673 ( 11.244 19.475 -9.866) 24.557 12.001 ( 4.159 7.203 0.625) 8.341 12.029 ( 2.949 5.107 -1.195) 6.017 12.414 ( 6.502 11.262 5.439) 14.096 12.543 ( 7.038 12.189 13.415) 19.444 12.763 ( 2.805 4.858 -0.955) 5.690 12.794 ( 1.931 3.345 -9.177) 9.957 13.025 ( -3.689 -6.390 0.576) 7.401 13.284 ( 1.878 3.253 -5.607) 6.749 13.295 ( 0.434 0.753 11.237) 11.270 13.568 ( 4.018 6.960 -0.047) 8.036 13.915 ( 2.252 3.901 3.758) 5.866 14.060 ( -2.262 -3.917 7.749) 8.973 14.096 ( 0.587 1.017 -4.670) 4.816 14.240 ( -6.710 -11.623 -3.331) 13.828 14.558 ( -5.814 -10.070 1.026) 11.673 14.564 ( -2.575 -4.460 4.897) 7.107 14.904 ( 1.097 1.900 -2.016) 2.979 14.910 ( -2.322 -4.021 -7.045) 8.438 15.259 ( -1.609 -2.787 0.460) 3.251 15.297 ( -5.608 -9.714 -0.163) 11.217 15.638 ( -7.998 -13.852 4.012) 16.491 15.710 ( -10.099 -17.492 -0.897) 20.218 15.892 ( -4.173 -7.227 8.728) 12.075 16.097 ( 0.951 1.648 6.064) 6.355 16.259 ( -3.281 -5.682 -9.195) 11.296 16.436 ( -1.466 -2.539 -9.916) 10.340 17.187 ( -12.307 -21.317 -0.838) 24.629 17.259 ( -8.549 -14.808 -3.770) 17.509 17.505 ( -2.628 -4.552 1.377) 5.434 17.537 ( -3.626 -6.281 -1.210) 7.353 18.494 ( 1.164 2.016 13.818) 14.013 18.724 ( 2.032 3.520 0.665) 4.119 19.042 ( 0.845 1.464 -0.226) 1.706 19.067 ( 3.906 6.765 -2.251) 8.130 19.195 ( -0.898 -1.555 0.725) 1.936 19.290 ( 1.442 2.497 -3.400) 4.458 19.861 ( -0.568 -0.984 2.036) 2.332 19.925 ( -1.756 -3.042 1.674) 3.890 20.157 ( -3.233 -5.601 3.364) 7.290 20.178 ( -1.156 -2.003 0.167) 2.319 20.337 ( 1.783 3.088 2.285) 4.235 20.511 ( 0.931 1.612 -4.232) 4.623 20.749 ( 2.712 4.698 0.376) 5.438 20.789 ( 1.281 2.219 -2.217) 3.388 21.495 ( 3.575 6.192 6.224) 9.479 21.632 ( 1.622 2.809 2.035) 3.829 21.917 ( -2.093 -3.625 0.075) 4.186 21.959 ( -4.120 -7.135 -3.102) 8.803 22.714 ( -9.752 -16.891 4.279) 19.968 22.987 ( -0.349 -0.604 -9.066) 9.092 23.839 ( 0.844 1.461 -2.188) 2.763 23.927 ( -0.380 -0.658 -6.217) 6.263 24.751 ( 7.410 12.835 3.774) 15.293 24.837 ( 8.695 15.060 0.416) 17.395 26.194 ( 2.991 5.180 13.673) 14.924 26.910 ( -1.625 -2.815 -20.872) 21.124 98.912 ( -2.421 -4.194 7.969) 9.325 99.168 ( -3.281 -5.682 -4.686) 8.063 ======================= Grid point 242 (40/56) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( 13.982 19.370 12.896) 27.147 5.162 ( 7.759 11.631 -11.966) 18.403 5.697 ( 7.688 27.625 -6.273) 29.353 5.837 ( 9.641 29.024 -7.470) 31.482 6.415 ( -8.001 4.145 4.931) 10.272 6.597 ( 1.875 -2.390 -6.913) 7.551 6.911 ( -0.702 7.551 5.499) 9.368 7.267 ( -9.539 9.045 0.001) 13.145 7.416 ( 0.589 0.108 0.778) 0.982 7.649 ( -3.454 -7.508 -9.272) 12.421 8.338 ( 2.157 18.850 7.005) 20.225 8.480 ( 6.114 12.556 5.618) 15.053 8.632 ( -0.712 3.353 4.081) 5.329 8.710 ( 10.035 10.383 5.642) 15.503 8.778 ( -0.177 8.242 10.382) 13.257 9.157 ( 12.103 -14.048 10.963) 21.541 9.456 ( 3.623 -10.607 -2.792) 11.551 9.560 ( 5.025 3.383 -3.095) 6.803 9.671 ( 22.649 15.769 0.357) 27.600 10.093 ( 13.673 2.357 -8.328) 16.183 10.366 ( -2.544 2.630 0.209) 3.665 10.482 ( 4.528 -3.197 2.406) 6.043 10.719 ( -0.295 8.493 -3.706) 9.271 10.880 ( 13.947 5.330 -8.774) 17.318 11.634 ( -4.895 -0.460 -4.431) 6.619 11.815 ( -6.481 -1.029 -8.396) 10.656 12.068 ( -2.187 3.605 3.890) 5.737 12.185 ( 4.074 8.998 -3.589) 10.509 12.483 ( -9.586 3.143 1.991) 10.283 12.525 ( -8.568 3.390 -0.247) 9.218 12.746 ( -4.837 1.932 12.900) 13.912 12.900 ( 4.039 -7.634 3.818) 9.443 13.027 ( 12.105 1.881 -0.823) 12.277 13.209 ( -2.698 -3.141 2.866) 5.036 13.383 ( 8.037 -9.333 4.632) 13.159 13.726 ( 2.939 4.178 -5.567) 7.555 13.812 ( -7.142 -7.212 1.501) 10.260 13.964 ( -3.875 -0.824 -0.075) 3.963 14.201 ( 0.564 5.801 -3.738) 6.923 14.316 ( -1.315 -1.250 5.041) 5.358 14.355 ( 5.565 16.014 -2.956) 17.210 14.565 ( 3.357 9.719 -3.235) 10.779 14.781 ( -3.161 -0.063 -2.936) 4.315 14.893 ( -2.005 -1.985 -5.599) 6.270 15.103 ( -3.605 -8.113 3.027) 9.379 15.202 ( -7.395 -6.455 -3.112) 10.298 15.410 ( -1.872 -8.512 0.045) 8.716 15.492 ( 3.412 -9.455 -3.136) 10.530 15.792 ( -7.592 -3.774 9.061) 12.409 16.038 ( -12.648 1.929 0.070) 12.794 16.233 ( 1.127 1.758 0.918) 2.281 16.301 ( -2.953 -12.472 -4.841) 13.701 16.821 ( -6.623 -5.249 2.634) 8.852 17.031 ( 1.869 -13.860 -6.555) 15.446 17.366 ( -1.461 -14.033 2.595) 14.345 17.417 ( 2.672 -15.672 -1.090) 15.935 18.518 ( -4.531 7.812 15.540) 17.973 18.828 ( 1.887 7.677 0.858) 7.952 19.031 ( -2.406 1.842 3.418) 4.568 19.179 ( 1.475 5.613 -1.871) 6.098 19.233 ( 1.757 3.222 -4.447) 5.766 19.354 ( 2.293 3.081 -6.776) 7.789 19.844 ( 1.795 -5.702 0.401) 5.991 19.876 ( -0.798 -2.978 -0.025) 3.083 20.047 ( -0.470 -5.875 3.745) 6.983 20.142 ( 1.059 -4.933 -1.235) 5.195 20.409 ( 0.567 4.876 1.749) 5.211 20.533 ( -0.370 1.742 -3.988) 4.367 20.843 ( -0.762 6.889 1.459) 7.083 20.892 ( 2.753 11.841 -1.108) 12.207 21.517 ( -5.877 3.638 5.774) 9.006 21.656 ( -6.783 1.022 0.433) 6.874 21.747 ( 0.222 -7.061 4.182) 8.210 21.902 ( 5.192 -10.857 -2.801) 12.357 22.426 ( -6.585 -8.620 11.401) 15.737 22.990 ( -0.045 1.031 -15.493) 15.528 23.885 ( 4.576 -3.225 -4.173) 6.982 23.934 ( 3.494 -4.612 -6.725) 8.871 24.959 ( -0.097 14.130 6.795) 15.679 25.085 ( 1.943 13.729 2.140) 14.030 26.290 ( 3.271 2.471 9.037) 9.924 26.821 ( -0.455 -9.041 -15.348) 17.818 98.847 ( -1.249 -2.011 6.415) 6.838 99.075 ( -1.902 -3.141 -4.562) 5.856 ======================= Grid point 243 (41/56) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.787 ( -4.539 7.862 3.240) 9.639 5.213 ( 1.970 -3.412 -15.455) 15.950 6.019 ( -11.732 20.321 0.968) 23.485 6.075 ( -11.157 19.324 -0.496) 22.319 6.346 ( -3.222 5.580 4.252) 7.720 6.568 ( -1.073 1.858 -9.071) 9.321 7.017 ( -11.844 20.514 7.303) 24.787 7.102 ( -3.122 5.408 5.107) 8.067 7.466 ( 5.929 -10.269 0.190) 11.860 7.548 ( -8.252 14.293 -9.341) 18.965 8.447 ( -4.404 7.628 -3.569) 9.504 8.478 ( 1.309 -2.268 -3.724) 4.553 8.723 ( -4.479 7.757 13.261) 16.003 8.727 ( -2.072 3.589 11.145) 11.891 9.157 ( 10.100 -17.493 2.270) 20.326 9.166 ( 2.366 -4.098 8.984) 10.154 9.402 ( -1.578 2.734 0.342) 3.175 9.440 ( 9.725 -16.845 -0.566) 19.459 9.994 ( 2.510 -4.347 -3.935) 6.378 10.229 ( 9.781 -16.941 -4.156) 19.999 10.472 ( -3.680 6.374 -7.748) 10.686 10.583 ( 0.528 -0.914 3.494) 3.650 11.007 ( -5.223 9.046 2.976) 10.861 11.125 ( -4.981 8.628 9.581) 13.822 11.354 ( 3.456 -5.985 -12.360) 14.161 11.478 ( -1.095 1.897 -7.146) 7.474 12.159 ( -1.759 3.046 0.183) 3.522 12.189 ( -0.806 1.396 -2.811) 3.240 12.316 ( -4.007 6.940 8.132) 11.417 12.567 ( -3.330 5.768 -0.127) 6.661 12.812 ( -4.448 7.703 1.495) 9.020 12.816 ( -0.637 1.104 3.964) 4.164 13.150 ( 6.205 -10.748 5.930) 13.754 13.207 ( 14.482 -25.084 -1.178) 28.989 13.370 ( 2.069 -3.583 4.107) 5.830 13.637 ( -3.522 6.101 -0.198) 7.047 13.767 ( -1.249 2.164 -1.091) 2.727 14.001 ( -3.123 5.410 -11.257) 12.874 14.165 ( -1.135 1.966 4.727) 5.244 14.273 ( -0.529 0.917 -2.037) 2.295 14.658 ( -8.611 14.915 1.096) 17.257 14.697 ( -4.933 8.545 -1.941) 10.056 14.797 ( -0.652 1.129 -5.009) 5.176 14.862 ( -3.581 6.202 -4.352) 8.380 15.027 ( 2.338 -4.049 -0.818) 4.746 15.065 ( 1.482 -2.568 -2.143) 3.658 15.391 ( 2.016 -3.492 -0.886) 4.129 15.449 ( 1.916 -3.318 -3.366) 5.100 15.655 ( 1.329 -2.302 3.654) 4.518 15.774 ( 2.573 -4.456 -2.284) 5.629 16.240 ( 3.180 -5.508 5.042) 8.116 16.264 ( -0.793 1.374 3.429) 3.778 16.772 ( -1.530 2.651 2.722) 4.096 17.012 ( 5.681 -9.840 -6.875) 13.281 17.243 ( 7.808 -13.524 3.901) 16.096 17.349 ( 10.268 -17.785 -2.063) 20.639 18.514 ( -5.758 9.973 15.778) 19.533 18.888 ( -4.293 7.436 -0.421) 8.596 19.027 ( 0.135 -0.234 5.118) 5.125 19.222 ( -4.034 6.987 -0.872) 8.114 19.273 ( -1.046 1.811 -6.898) 7.208 19.397 ( -0.601 1.041 -6.884) 6.988 19.818 ( 4.005 -6.937 0.495) 8.025 19.847 ( 0.505 -0.875 -0.962) 1.395 20.024 ( 3.102 -5.373 2.237) 6.595 20.123 ( 3.489 -6.042 -2.036) 7.268 20.440 ( -2.652 4.594 1.158) 5.430 20.537 ( -0.937 1.622 -4.374) 4.758 20.879 ( -4.680 8.106 4.982) 10.604 21.008 ( -6.690 11.588 -2.214) 13.563 21.473 ( -2.027 3.511 2.455) 4.740 21.519 ( -0.767 1.328 1.666) 2.265 21.748 ( 3.818 -6.613 5.620) 9.481 21.902 ( 6.175 -10.695 -1.798) 12.480 22.319 ( 0.722 -1.250 14.446) 14.518 22.996 ( -0.672 1.164 -17.648) 17.699 23.914 ( 3.480 -6.027 -5.017) 8.580 23.942 ( 3.759 -6.511 -6.728) 10.090 25.032 ( -7.219 12.503 8.163) 16.585 25.175 ( -5.798 10.043 2.912) 11.956 26.341 ( -0.467 0.809 5.962) 6.035 26.758 ( 5.767 -9.989 -12.498) 17.007 98.825 ( 0.367 -0.636 5.867) 5.913 99.041 ( 0.622 -1.077 -4.457) 4.627 ======================= Grid point 253 (42/56) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.878 ( 8.811 15.260 -0.416) 17.626 5.166 ( -3.723 -6.448 -13.849) 15.724 6.233 ( 9.455 16.376 2.952) 19.138 6.290 ( 7.502 12.994 2.193) 15.164 6.429 ( -1.377 -2.385 5.321) 5.992 6.566 ( -0.743 -1.287 -7.727) 7.868 7.117 ( 6.523 11.299 2.481) 13.281 7.337 ( -3.326 -5.760 -3.781) 7.651 7.398 ( 1.892 3.278 4.560) 5.926 7.782 ( 8.528 14.771 -12.684) 21.256 8.452 ( -5.200 -9.006 1.189) 10.467 8.461 ( -5.133 -8.891 2.499) 10.567 8.724 ( 4.838 8.380 12.445) 15.765 8.859 ( 0.023 0.040 11.823) 11.824 8.908 ( 4.081 7.068 2.042) 8.413 9.094 ( 2.183 3.781 9.034) 10.034 9.212 ( -4.205 -7.283 1.664) 8.573 9.482 ( -4.079 -7.065 -8.315) 11.649 9.933 ( 2.190 3.792 1.886) 4.768 9.999 ( -1.883 -3.262 4.048) 5.530 10.548 ( 4.720 8.175 -11.028) 14.517 10.579 ( 3.408 5.902 0.156) 6.817 11.000 ( 11.699 20.264 -3.434) 23.649 11.151 ( 8.156 14.127 -8.823) 18.545 11.418 ( -7.392 -12.803 0.771) 14.804 11.642 ( -6.865 -11.891 -9.941) 16.951 12.177 ( 2.055 3.560 6.707) 7.866 12.253 ( -2.230 -3.863 1.117) 4.598 12.483 ( -1.036 -1.794 6.690) 7.004 12.529 ( -0.132 -0.229 1.969) 1.987 12.718 ( -8.076 -13.988 7.462) 17.792 12.762 ( -2.582 -4.472 0.236) 5.169 12.943 ( 4.685 8.115 0.437) 9.380 13.134 ( -3.659 -6.338 -2.264) 7.661 13.309 ( 1.333 2.309 10.233) 10.575 13.739 ( 1.079 1.869 -1.761) 2.786 13.756 ( -1.432 -2.480 3.593) 4.594 14.067 ( 0.915 1.585 -14.837) 14.950 14.234 ( 1.161 2.011 1.311) 2.667 14.296 ( 0.277 0.480 0.675) 0.874 14.753 ( 6.520 11.293 0.668) 13.058 14.798 ( 2.617 4.533 0.248) 5.240 14.868 ( 0.415 0.719 -0.906) 1.229 14.910 ( 8.009 13.873 -5.168) 16.832 15.054 ( 4.634 8.026 -2.679) 9.647 15.060 ( -0.565 -0.978 -3.753) 3.919 15.343 ( -0.289 -0.501 -4.194) 4.234 15.362 ( -2.594 -4.494 -4.562) 6.909 15.594 ( -7.511 -13.010 4.262) 15.615 15.759 ( -15.678 -27.154 -4.415) 31.664 16.177 ( 1.789 3.098 6.046) 7.025 16.240 ( -0.337 -0.584 3.063) 3.137 16.832 ( 2.368 4.102 1.443) 4.951 16.923 ( 1.409 2.441 -2.754) 3.940 17.090 ( -6.358 -11.012 1.520) 12.806 17.124 ( -6.364 -11.023 -1.261) 12.790 18.630 ( 1.479 2.562 16.418) 16.683 18.973 ( 3.616 6.264 3.523) 8.045 19.051 ( -0.395 -0.684 4.851) 4.915 19.177 ( -1.369 -2.371 -5.213) 5.888 19.369 ( 3.073 5.323 -4.926) 7.877 19.406 ( 1.144 1.981 -5.342) 5.811 19.747 ( -1.822 -3.155 0.991) 3.776 19.864 ( 0.240 0.415 -5.819) 5.838 19.966 ( -0.476 -0.824 1.481) 1.761 20.038 ( -2.679 -4.639 -2.310) 5.834 20.497 ( 1.804 3.124 0.644) 3.664 20.547 ( -0.248 -0.429 -2.102) 2.159 20.977 ( 2.837 4.913 6.686) 8.768 21.152 ( 6.648 11.515 -2.874) 13.604 21.508 ( -2.089 -3.617 1.545) 4.454 21.572 ( -5.485 -9.500 -1.873) 11.128 21.664 ( 0.198 0.343 6.523) 6.535 21.728 ( -2.061 -3.570 2.972) 5.082 22.311 ( -1.467 -2.540 15.017) 15.301 23.011 ( 0.407 0.705 -18.091) 18.110 23.851 ( -0.196 -0.339 -6.666) 6.677 23.870 ( -1.031 -1.786 -7.803) 8.071 25.188 ( 4.250 7.361 8.702) 12.164 25.265 ( 1.826 3.163 6.449) 7.412 26.378 ( 3.528 6.112 0.356) 7.066 26.612 ( -5.681 -9.839 -9.627) 14.891 98.819 ( -0.399 -0.691 5.697) 5.753 99.029 ( -0.657 -1.138 -4.392) 4.584 ======================= Grid point 327 (43/56) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 0.000 -0.000 -39.134) 39.134 2.617 ( 0.000 0.000 -39.134) 39.134 2.617 ( -0.000 0.000 39.134) 39.134 2.617 ( 0.000 -0.000 39.134) 39.134 5.278 ( 0.000 0.000 -79.040) 79.040 5.278 ( 0.000 -0.000 79.040) 79.040 6.524 ( -0.000 0.000 -6.778) 6.778 6.524 ( 0.000 0.000 -6.778) 6.778 6.524 ( -0.000 -0.000 6.778) 6.778 6.524 ( 0.000 0.000 6.778) 6.778 7.549 ( -0.000 0.000 -1.427) 1.427 7.549 ( 0.000 -0.000 1.427) 1.427 8.517 ( 0.000 -0.000 -14.044) 14.044 8.517 ( 0.000 -0.000 -14.044) 14.044 8.517 ( 0.000 0.000 14.044) 14.044 8.517 ( 0.000 0.000 14.044) 14.044 9.588 ( -0.000 0.000 -10.924) 10.924 9.588 ( -0.000 0.000 10.924) 10.924 9.879 ( 0.000 0.000 -7.754) 7.754 9.879 ( 0.000 0.000 -7.754) 7.754 9.879 ( 0.000 0.000 7.754) 7.754 9.879 ( 0.000 0.000 7.754) 7.754 10.763 ( -0.000 0.000 -33.318) 33.318 10.763 ( 0.000 0.000 -33.318) 33.318 10.763 ( 0.000 0.000 33.318) 33.318 10.763 ( 0.000 0.000 33.318) 33.318 11.408 ( 0.000 0.000 -10.188) 10.188 11.408 ( -0.000 0.000 10.188) 10.188 12.387 ( 0.000 0.000 -10.046) 10.046 12.387 ( 0.000 -0.000 -10.046) 10.046 12.387 ( 0.000 0.000 10.046) 10.046 12.387 ( -0.000 0.000 10.046) 10.046 12.901 ( 0.000 -0.000 -19.247) 19.247 12.901 ( 0.000 -0.000 19.247) 19.247 13.949 ( 0.000 0.000 -7.795) 7.795 13.949 ( 0.000 -0.000 -7.795) 7.795 13.949 ( -0.000 -0.000 7.795) 7.795 13.949 ( -0.000 0.000 7.795) 7.795 13.950 ( 0.000 0.000 -13.320) 13.320 13.950 ( -0.000 0.000 13.320) 13.320 14.771 ( 0.000 0.000 -0.080) 0.080 14.771 ( 0.000 -0.000 -0.080) 0.080 14.771 ( 0.000 0.000 0.080) 0.080 14.771 ( -0.000 -0.000 0.080) 0.080 15.990 ( -0.000 0.000 -0.980) 0.980 15.990 ( -0.000 -0.000 -0.980) 0.980 15.990 ( -0.000 0.000 0.980) 0.980 15.990 ( -0.000 0.000 0.980) 0.980 16.916 ( 0.000 -0.000 -3.340) 3.340 16.916 ( 0.000 -0.000 3.340) 3.340 17.091 ( 0.000 0.000 -3.786) 3.786 17.091 ( 0.000 0.000 3.786) 3.786 17.256 ( 0.000 -0.000 -11.245) 11.245 17.256 ( 0.000 0.000 -11.245) 11.245 17.256 ( 0.000 0.000 11.245) 11.245 17.256 ( 0.000 -0.000 11.245) 11.245 19.098 ( 0.000 -0.000 -3.397) 3.397 19.098 ( -0.000 -0.000 -3.397) 3.397 19.098 ( 0.000 0.000 3.397) 3.397 19.098 ( 0.000 0.000 3.397) 3.397 19.537 ( 0.000 0.000 -18.659) 18.659 19.537 ( -0.000 0.000 18.659) 18.659 20.128 ( 0.000 -0.000 -10.882) 10.882 20.128 ( 0.000 -0.000 10.882) 10.882 20.271 ( -0.000 -0.000 -1.212) 1.212 20.271 ( 0.000 -0.000 -1.212) 1.212 20.271 ( 0.000 -0.000 1.212) 1.212 20.271 ( 0.000 0.000 1.212) 1.212 20.910 ( 0.000 0.000 -4.696) 4.696 20.910 ( -0.000 0.000 -4.696) 4.696 20.910 ( 0.000 0.000 4.696) 4.696 20.910 ( 0.000 -0.000 4.696) 4.696 21.782 ( -0.000 0.000 -1.891) 1.891 21.782 ( 0.000 -0.000 1.891) 1.891 23.466 ( 0.000 0.000 -10.173) 10.173 23.466 ( -0.000 -0.000 10.173) 10.173 23.969 ( 0.000 0.000 -7.619) 7.619 23.969 ( 0.000 0.000 -7.619) 7.619 23.969 ( 0.000 0.000 7.619) 7.619 23.969 ( 0.000 0.000 7.619) 7.619 25.837 ( 0.000 0.000 -8.663) 8.663 25.837 ( 0.000 -0.000 8.663) 8.663 99.642 ( 0.000 0.000 -0.545) 0.545 99.642 ( 0.000 0.000 0.545) 0.545 ======================= Grid point 329 (44/56) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 19.798 11.430 -34.960) 41.771 2.866 ( 19.798 11.430 34.960) 41.771 3.244 ( 44.610 25.756 -32.731) 61.030 3.244 ( 44.610 25.756 32.731) 61.030 5.208 ( -1.855 -1.071 -65.917) 65.952 5.208 ( -1.855 -1.071 65.917) 65.952 6.539 ( 1.239 0.715 -10.268) 10.367 6.539 ( 1.239 0.715 10.268) 10.367 6.811 ( 20.634 11.913 -15.866) 28.625 6.811 ( 20.634 11.913 15.866) 28.625 7.661 ( 8.000 4.619 -1.927) 9.437 7.661 ( 8.000 4.619 1.927) 9.437 8.525 ( -0.192 -0.111 -15.284) 15.285 8.525 ( -0.192 -0.111 15.284) 15.285 8.543 ( 2.722 1.571 -15.636) 15.949 8.543 ( 2.722 1.571 15.636) 15.949 9.461 ( -6.906 -3.987 -10.287) 13.016 9.461 ( -6.906 -3.987 10.287) 13.016 9.765 ( -8.673 -5.007 -5.718) 11.532 9.765 ( -8.673 -5.007 5.718) 11.532 9.932 ( 3.278 1.892 -6.949) 7.913 9.932 ( 3.278 1.892 6.949) 7.913 10.764 ( 0.917 0.530 -25.377) 25.399 10.764 ( 0.917 0.530 25.377) 25.399 10.904 ( 10.734 6.197 -26.117) 28.909 10.904 ( 10.734 6.197 26.117) 28.909 11.588 ( 13.552 7.825 -11.220) 19.256 11.588 ( 13.552 7.825 11.220) 19.256 12.279 ( -9.090 -5.248 -2.880) 10.884 12.279 ( -9.090 -5.248 2.880) 10.884 12.416 ( 2.479 1.431 -8.851) 9.302 12.416 ( 2.479 1.431 8.851) 9.302 12.930 ( 2.425 1.400 -4.992) 5.724 12.930 ( 2.425 1.400 4.992) 5.724 13.676 ( -11.499 -6.639 -6.605) 14.830 13.676 ( -11.499 -6.639 6.605) 14.830 13.928 ( -1.668 -0.963 -7.653) 7.891 13.928 ( -1.668 -0.963 7.653) 7.891 14.144 ( 9.903 5.717 -4.342) 12.231 14.144 ( 9.903 5.717 4.342) 12.231 14.737 ( -2.830 -1.634 -2.695) 4.236 14.737 ( -2.831 -1.634 2.695) 4.236 14.876 ( 5.518 3.186 -4.248) 7.658 14.876 ( 5.518 3.186 4.248) 7.658 15.744 ( -12.730 -7.350 -1.008) 14.734 15.744 ( -12.730 -7.350 1.008) 14.734 16.001 ( 0.788 0.455 -1.212) 1.515 16.001 ( 0.788 0.455 1.212) 1.515 17.007 ( -14.117 -8.150 -5.935) 17.347 17.007 ( -14.117 -8.150 5.935) 17.347 17.047 ( -7.829 -4.520 -7.797) 11.938 17.047 ( -7.829 -4.520 7.797) 11.938 17.236 ( 2.519 1.454 -5.550) 6.266 17.236 ( 2.519 1.454 5.550) 6.266 17.378 ( 21.049 12.153 -4.837) 24.782 17.378 ( 21.049 12.153 4.837) 24.782 18.909 ( -12.087 -6.979 -3.612) 14.417 18.909 ( -12.087 -6.979 3.612) 14.417 19.089 ( -0.738 -0.426 -3.379) 3.485 19.089 ( -0.738 -0.426 3.379) 3.485 19.493 ( -8.152 -4.707 -9.148) 13.127 19.493 ( -8.152 -4.707 9.148) 13.127 20.002 ( -1.610 -0.930 -7.259) 7.493 20.002 ( -1.610 -0.930 7.259) 7.493 20.264 ( -0.554 -0.320 -1.297) 1.446 20.264 ( -0.554 -0.320 1.297) 1.446 20.355 ( 1.870 1.080 -1.234) 2.487 20.355 ( 1.870 1.080 1.234) 2.487 20.873 ( -3.028 -1.748 -3.829) 5.185 20.873 ( -3.028 -1.748 3.829) 5.185 21.037 ( 9.322 5.382 -2.239) 10.994 21.037 ( 9.322 5.382 2.239) 10.994 21.844 ( 4.584 2.647 -2.457) 5.835 21.844 ( 4.584 2.647 2.457) 5.835 23.462 ( -3.715 -2.145 -8.792) 9.783 23.462 ( -3.715 -2.145 8.792) 9.783 23.905 ( -0.880 -0.508 -8.763) 8.822 23.905 ( -0.880 -0.508 8.763) 8.822 24.007 ( 3.056 1.765 -7.281) 8.091 24.007 ( 3.056 1.765 7.281) 8.091 26.008 ( 12.101 6.986 -15.234) 20.672 26.008 ( 12.101 6.986 15.234) 20.672 99.535 ( -8.036 -4.640 -3.427) 9.892 99.535 ( -8.036 -4.640 3.427) 9.892 ======================= Grid point 331 (45/56) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 30.508 17.614 -26.736) 44.224 3.485 ( 30.508 17.614 26.736) 44.224 4.242 ( 28.686 16.562 -41.428) 53.042 4.242 ( 28.686 16.562 41.428) 53.042 5.478 ( 30.959 17.874 -30.662) 47.096 5.478 ( 30.959 17.874 30.662) 47.096 6.575 ( 1.296 0.748 -15.636) 15.707 6.575 ( 1.296 0.748 15.636) 15.707 7.325 ( 18.562 10.717 -22.017) 30.727 7.325 ( 18.562 10.717 22.017) 30.727 7.828 ( 4.211 2.431 -6.046) 7.759 7.828 ( 4.211 2.431 6.046) 7.759 8.513 ( 1.989 1.148 -10.777) 11.019 8.513 ( 1.989 1.148 10.777) 11.019 8.668 ( 6.502 3.754 -16.556) 18.178 8.668 ( 6.502 3.754 16.556) 18.178 9.360 ( -1.551 -0.895 -13.412) 13.531 9.360 ( -1.551 -0.895 13.412) 13.531 9.546 ( -6.890 -3.978 -8.160) 11.396 9.546 ( -6.890 -3.978 8.160) 11.396 10.064 ( 8.721 5.035 -14.032) 17.272 10.064 ( 8.721 5.035 14.032) 17.272 10.836 ( 5.456 3.150 -13.664) 15.046 10.836 ( 5.456 3.150 13.664) 15.046 11.170 ( 8.410 4.855 -12.649) 15.947 11.170 ( 8.410 4.855 12.649) 15.947 11.964 ( 15.921 9.192 -9.492) 20.690 11.964 ( 15.921 9.192 9.492) 20.690 12.023 ( -9.205 -5.315 -4.462) 11.528 12.023 ( -9.205 -5.315 4.462) 11.528 12.512 ( 6.176 3.566 -7.075) 10.046 12.512 ( 6.176 3.566 7.075) 10.046 13.003 ( 3.387 1.955 -2.656) 4.727 13.003 ( 3.387 1.955 2.656) 4.727 13.533 ( -0.186 -0.107 -6.629) 6.633 13.533 ( -0.186 -0.107 6.629) 6.633 13.882 ( -1.796 -1.037 -6.908) 7.213 13.882 ( -1.796 -1.037 6.908) 7.213 14.397 ( 9.224 5.326 -3.279) 11.144 14.397 ( 9.224 5.326 3.279) 11.144 14.633 ( -6.026 -3.479 -5.153) 8.659 14.633 ( -6.026 -3.479 5.153) 8.659 14.931 ( -2.033 -1.174 -3.536) 4.245 14.931 ( -2.033 -1.174 3.536) 4.245 15.524 ( -5.240 -3.025 -0.793) 6.102 15.524 ( -5.240 -3.025 0.793) 6.102 16.011 ( -0.447 -0.258 -1.569) 1.652 16.011 ( -0.447 -0.258 1.569) 1.652 16.510 ( -23.791 -13.736 -9.364) 29.023 16.510 ( -23.791 -13.736 9.364) 29.023 16.719 ( -17.666 -10.199 -8.976) 22.286 16.719 ( -17.666 -10.199 8.976) 22.286 17.392 ( 9.058 5.230 -1.441) 10.558 17.392 ( 9.058 5.230 1.441) 10.558 17.697 ( 0.468 0.270 -7.149) 7.169 17.697 ( 0.468 0.270 7.149) 7.169 18.673 ( -5.430 -3.135 -6.463) 9.005 18.673 ( -5.430 -3.135 6.463) 9.005 19.065 ( -1.170 -0.675 -3.178) 3.453 19.065 ( -1.170 -0.675 3.178) 3.453 19.233 ( -9.558 -5.518 -4.997) 12.115 19.233 ( -9.558 -5.518 4.997) 12.115 20.039 ( 2.696 1.556 -6.908) 7.577 20.039 ( 2.696 1.556 6.908) 7.577 20.245 ( -0.996 -0.575 -1.528) 1.912 20.245 ( -0.996 -0.575 1.528) 1.912 20.372 ( 0.275 0.159 -2.449) 2.470 20.372 ( 0.275 0.159 2.449) 2.470 20.775 ( -4.946 -2.855 -1.817) 5.993 20.775 ( -4.946 -2.855 1.817) 5.993 21.278 ( 9.606 5.546 -5.371) 12.324 21.278 ( 9.606 5.546 5.371) 12.324 21.953 ( 3.658 2.112 -4.779) 6.379 21.953 ( 3.658 2.112 4.779) 6.379 23.221 ( -13.773 -7.952 -6.182) 17.063 23.221 ( -13.773 -7.952 6.182) 17.063 24.042 ( 10.237 5.910 -5.947) 13.232 24.042 ( 10.237 5.910 5.947) 13.232 24.101 ( 4.476 2.584 -6.342) 8.182 24.101 ( 4.476 2.584 6.342) 8.182 26.305 ( 11.423 6.595 -21.963) 25.620 26.305 ( 11.423 6.595 21.963) 25.620 99.318 ( -9.174 -5.296 -6.785) 12.579 99.318 ( -9.174 -5.296 6.785) 12.579 ======================= Grid point 333 (46/56) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.253 ( 32.623 18.835 -18.810) 42.104 4.253 ( 32.623 18.835 18.810) 42.104 4.631 ( 10.574 6.105 -44.064) 45.725 4.631 ( 10.574 6.105 44.064) 45.725 6.420 ( 33.006 19.056 -6.795) 38.713 6.420 ( 33.006 19.056 6.795) 38.713 6.576 ( -1.770 -1.022 -18.666) 18.777 6.576 ( -1.770 -1.022 18.666) 18.777 7.626 ( 12.978 7.493 -13.077) 19.889 7.626 ( 12.978 7.493 13.077) 19.889 7.848 ( -1.965 -1.134 -11.647) 11.866 7.848 ( -1.965 -1.134 11.647) 11.866 8.684 ( -6.243 -3.604 -14.275) 15.992 8.684 ( -6.243 -3.604 14.275) 15.992 8.778 ( 18.705 10.799 -19.173) 28.881 8.778 ( 18.705 10.799 19.173) 28.881 9.379 ( 4.448 2.568 -14.506) 15.388 9.379 ( 4.448 2.568 14.506) 15.388 9.588 ( 10.135 5.852 -9.434) 15.032 9.588 ( 10.135 5.852 9.434) 15.032 10.319 ( 10.407 6.008 -18.281) 21.877 10.319 ( 10.407 6.008 18.281) 21.877 11.044 ( 12.400 7.159 -7.000) 15.937 11.044 ( 12.400 7.159 7.000) 15.937 11.202 ( -3.244 -1.873 -6.996) 7.936 11.202 ( -3.244 -1.873 6.996) 7.936 11.949 ( 1.057 0.610 -11.274) 11.340 11.949 ( 1.057 0.610 11.274) 11.340 12.232 ( 5.273 3.044 -9.999) 11.707 12.232 ( 5.273 3.044 9.999) 11.707 12.755 ( 13.905 8.028 -10.693) 19.291 12.755 ( 13.905 8.028 10.693) 19.291 13.073 ( 0.945 0.546 -7.038) 7.123 13.073 ( 0.945 0.546 7.038) 7.123 13.633 ( 7.950 4.590 -8.455) 12.480 13.633 ( 7.950 4.590 8.455) 12.480 13.861 ( 0.437 0.252 -5.207) 5.231 13.861 ( 0.437 0.252 5.207) 5.231 14.444 ( -8.143 -4.702 -6.605) 11.491 14.444 ( -8.143 -4.702 6.605) 11.491 14.450 ( -9.101 -5.254 -7.055) 12.657 14.450 ( -9.101 -5.254 7.055) 12.657 14.772 ( -8.356 -4.824 -5.390) 11.052 14.772 ( -8.356 -4.824 5.390) 11.052 15.491 ( 0.814 0.470 -6.672) 6.738 15.491 ( 0.814 0.470 6.672) 6.738 15.924 ( -9.375 -5.413 -3.793) 11.471 15.924 ( -9.375 -5.413 3.793) 11.471 16.048 ( -12.038 -6.950 -10.680) 17.530 16.048 ( -12.038 -6.950 10.680) 17.530 16.313 ( -12.717 -7.342 -6.828) 16.195 16.313 ( -12.717 -7.342 6.828) 16.195 17.455 ( -15.510 -8.955 -13.515) 22.437 17.455 ( -15.510 -8.955 13.515) 22.437 17.625 ( 9.756 5.632 -2.484) 11.535 17.625 ( 9.756 5.632 2.484) 11.535 18.578 ( -5.254 -3.033 -7.503) 9.649 18.578 ( -5.254 -3.033 7.503) 9.649 19.038 ( -0.982 -0.567 -2.672) 2.903 19.038 ( -0.982 -0.567 2.672) 2.903 19.134 ( 0.647 0.373 -6.179) 6.224 19.134 ( 0.647 0.373 6.179) 6.224 20.108 ( 2.959 1.708 -5.528) 6.499 20.108 ( 2.959 1.708 5.528) 6.499 20.219 ( -1.078 -0.622 -1.826) 2.210 20.219 ( -1.078 -0.622 1.826) 2.210 20.384 ( 1.089 0.629 -4.183) 4.368 20.384 ( 1.089 0.629 4.183) 4.368 20.649 ( -5.287 -3.052 -0.765) 6.153 20.649 ( -5.287 -3.052 0.765) 6.153 21.448 ( 3.870 2.234 -6.394) 7.801 21.448 ( 3.870 2.234 6.394) 7.801 22.000 ( 0.669 0.386 -7.386) 7.426 22.000 ( 0.669 0.386 7.386) 7.426 22.911 ( -11.127 -6.424 -5.099) 13.823 22.911 ( -11.127 -6.424 5.099) 13.823 24.205 ( 3.989 2.303 -4.823) 6.669 24.205 ( 3.989 2.303 4.823) 6.669 24.303 ( 10.595 6.117 -5.302) 13.333 24.303 ( 10.595 6.117 5.302) 13.333 26.523 ( 6.824 3.940 -21.830) 23.209 26.523 ( 6.824 3.940 21.830) 23.209 99.126 ( -6.656 -3.843 -7.279) 10.586 99.126 ( -6.656 -3.843 7.279) 10.586 ======================= Grid point 335 (47/56) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.865 ( 8.762 5.059 -31.384) 32.974 4.865 ( 8.762 5.059 31.384) 32.974 4.975 ( 26.079 15.057 -11.183) 32.123 4.975 ( 26.079 15.057 11.183) 32.123 6.473 ( -6.630 -3.828 -18.008) 19.568 6.473 ( -6.630 -3.828 18.008) 19.568 6.676 ( -4.150 -2.396 -5.248) 7.106 6.676 ( -4.150 -2.396 5.248) 7.106 7.764 ( -4.281 -2.472 -13.750) 14.612 7.764 ( -4.281 -2.472 13.750) 14.612 8.195 ( 26.470 15.283 -6.088) 31.165 8.195 ( 26.470 15.283 6.088) 31.165 8.505 ( -6.195 -3.577 -11.357) 13.422 8.505 ( -6.195 -3.577 11.357) 13.422 9.128 ( 8.877 5.125 -31.106) 32.751 9.128 ( 8.877 5.125 31.106) 32.751 9.675 ( 15.737 9.086 -11.364) 21.432 9.675 ( 15.737 9.086 11.364) 21.432 9.846 ( 8.588 4.958 -5.938) 11.558 9.846 ( 8.588 4.958 5.938) 11.558 10.490 ( 8.411 4.856 -12.525) 15.850 10.490 ( 8.411 4.856 12.525) 15.850 11.214 ( 3.198 1.846 -8.619) 9.376 11.214 ( 3.198 1.846 8.619) 9.376 11.417 ( 17.565 10.141 -8.228) 21.888 11.417 ( 17.565 10.141 8.228) 21.888 11.924 ( -3.388 -1.956 -16.018) 16.488 11.924 ( -3.388 -1.956 16.018) 16.488 12.242 ( -3.704 -2.138 -7.820) 8.913 12.242 ( -3.704 -2.138 7.820) 8.913 12.886 ( -18.222 -10.521 -10.487) 23.509 12.886 ( -18.222 -10.521 10.487) 23.509 13.063 ( 9.610 5.548 -10.608) 15.351 13.063 ( 9.610 5.548 10.608) 15.351 13.872 ( 9.052 5.226 -11.462) 15.513 13.872 ( 9.052 5.226 11.462) 15.513 13.919 ( 4.108 2.372 -3.259) 5.755 13.919 ( 4.108 2.372 3.259) 5.755 14.200 ( -3.173 -1.832 -5.712) 6.786 14.200 ( -3.173 -1.832 5.712) 6.786 14.231 ( -7.962 -4.597 -7.117) 11.627 14.231 ( -7.962 -4.597 7.117) 11.627 14.641 ( -3.518 -2.031 -10.476) 11.236 14.641 ( -3.518 -2.031 10.476) 11.236 15.430 ( -6.453 -3.725 -7.217) 10.373 15.430 ( -6.453 -3.725 7.217) 10.373 15.570 ( -15.866 -9.160 -4.001) 18.752 15.570 ( -15.866 -9.160 4.001) 18.752 15.922 ( -1.667 -0.963 -7.842) 8.075 15.922 ( -1.667 -0.963 7.842) 8.075 16.173 ( -1.738 -1.003 -4.636) 5.051 16.173 ( -1.738 -1.003 4.636) 5.051 17.163 ( -6.746 -3.895 -17.463) 19.122 17.163 ( -6.746 -3.895 17.463) 19.122 17.822 ( 6.192 3.575 -4.539) 8.469 17.822 ( 6.192 3.575 4.539) 8.469 18.434 ( -5.632 -3.251 -11.184) 12.937 18.434 ( -5.632 -3.251 11.184) 12.937 19.023 ( -0.325 -0.188 -1.720) 1.760 19.023 ( -0.325 -0.188 1.720) 1.760 19.170 ( 1.148 0.663 -9.241) 9.336 19.170 ( 1.148 0.663 9.241) 9.336 20.162 ( 1.283 0.741 -5.631) 5.823 20.162 ( 1.283 0.741 5.631) 5.823 20.197 ( -0.719 -0.415 -2.308) 2.452 20.197 ( -0.719 -0.415 2.308) 2.452 20.434 ( 2.783 1.607 -6.898) 7.610 20.434 ( 2.783 1.607 6.898) 7.610 20.539 ( -3.607 -2.083 -2.471) 4.843 20.539 ( -3.607 -2.083 2.471) 4.843 21.459 ( -1.927 -1.112 -4.476) 4.998 21.459 ( -1.927 -1.112 4.476) 4.998 22.016 ( 0.874 0.505 -6.923) 6.996 22.016 ( 0.874 0.505 6.923) 6.996 22.712 ( -5.543 -3.200 -12.777) 14.291 22.712 ( -5.543 -3.200 12.777) 14.291 24.281 ( 2.255 1.302 -2.734) 3.776 24.281 ( 2.255 1.302 2.734) 3.776 24.511 ( 6.334 3.657 -5.688) 9.266 24.511 ( 6.334 3.657 5.688) 9.266 26.637 ( 2.937 1.696 -18.716) 19.021 26.637 ( 2.937 1.696 18.716) 19.021 99.006 ( -3.374 -1.948 -6.600) 7.664 99.006 ( -3.374 -1.948 6.600) 7.664 ======================= Grid point 337 (48/56) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.986 ( 0.000 0.000 -22.414) 22.414 4.986 ( 0.000 0.000 22.414) 22.414 5.339 ( 0.000 0.000 -0.944) 0.944 5.339 ( 0.000 0.000 0.944) 0.944 6.350 ( 0.000 0.000 -17.180) 17.180 6.350 ( 0.000 0.000 17.180) 17.180 6.585 ( 0.000 0.000 -2.820) 2.820 6.585 ( 0.000 0.000 2.820) 2.820 7.700 ( 0.000 0.000 -13.918) 13.918 7.700 ( 0.000 0.000 13.918) 13.918 8.432 ( 0.000 0.000 -8.697) 8.697 8.432 ( 0.000 0.000 8.697) 8.697 8.530 ( 0.000 0.000 -9.960) 9.960 8.530 ( 0.000 0.000 9.960) 9.960 9.270 ( 0.000 0.000 -2.198) 2.198 9.270 ( 0.000 0.000 2.198) 2.198 9.795 ( 0.000 0.000 -0.516) 0.516 9.795 ( 0.000 0.000 0.516) 0.516 9.949 ( 0.000 0.000 -3.898) 3.898 9.949 ( 0.000 0.000 3.898) 3.898 10.860 ( -0.000 -0.000 -1.025) 1.025 10.860 ( -0.000 -0.000 1.025) 1.025 11.112 ( 0.000 0.000 -2.370) 2.370 11.112 ( 0.000 0.000 2.370) 2.370 11.707 ( 0.000 0.000 -1.824) 1.824 11.707 ( 0.000 0.000 1.824) 1.824 11.900 ( -0.000 -0.000 -8.748) 8.748 11.900 ( 0.000 0.000 8.748) 8.748 12.139 ( -0.000 -0.000 -1.454) 1.454 12.139 ( 0.000 0.000 1.454) 1.454 12.530 ( 0.000 0.000 -7.889) 7.889 12.530 ( 0.000 0.000 7.889) 7.889 13.174 ( 0.000 0.000 -8.525) 8.525 13.174 ( 0.000 0.000 8.525) 8.525 13.952 ( 0.000 0.000 -6.527) 6.527 13.952 ( -0.000 -0.000 6.527) 6.527 13.981 ( 0.000 0.000 -5.168) 5.168 13.981 ( 0.000 0.000 5.168) 5.168 14.138 ( 0.000 0.000 -3.424) 3.424 14.138 ( 0.000 0.000 3.424) 3.424 14.272 ( 0.000 0.000 -7.855) 7.855 14.272 ( 0.000 0.000 7.855) 7.855 14.596 ( 0.000 0.000 -4.931) 4.931 14.596 ( 0.000 0.000 4.931) 4.931 15.306 ( -0.000 -0.000 -1.986) 1.986 15.306 ( 0.000 0.000 1.986) 1.986 15.349 ( 0.000 0.000 -3.912) 3.912 15.349 ( 0.000 0.000 3.912) 3.912 15.897 ( -0.000 -0.000 -7.180) 7.180 15.897 ( 0.000 0.000 7.180) 7.180 16.157 ( 0.000 0.000 -4.068) 4.068 16.157 ( 0.000 0.000 4.068) 4.068 17.106 ( 0.000 0.000 -18.668) 18.668 17.106 ( 0.000 0.000 18.668) 18.668 17.899 ( 0.000 0.000 -5.438) 5.438 17.899 ( 0.000 0.000 5.438) 5.438 18.358 ( 0.000 0.000 -14.566) 14.566 18.358 ( 0.000 0.000 14.566) 14.566 19.020 ( 0.000 0.000 -0.378) 0.378 19.020 ( 0.000 0.000 0.378) 0.378 19.181 ( 0.000 0.000 -10.110) 10.110 19.181 ( 0.000 0.000 10.110) 10.110 20.175 ( 0.000 0.000 -7.423) 7.423 20.175 ( 0.000 0.000 7.423) 7.423 20.188 ( 0.000 0.000 -2.704) 2.704 20.188 ( 0.000 0.000 2.704) 2.704 20.477 ( 0.000 0.000 -7.931) 7.931 20.477 ( 0.000 0.000 7.931) 7.931 20.493 ( 0.000 0.000 -3.297) 3.297 20.493 ( 0.000 0.000 3.297) 3.297 21.424 ( 0.000 0.000 -2.892) 2.892 21.424 ( 0.000 0.000 2.892) 2.892 22.030 ( 0.000 0.000 -7.022) 7.022 22.030 ( 0.000 0.000 7.022) 7.022 22.646 ( 0.000 0.000 -16.809) 16.809 22.646 ( 0.000 0.000 16.809) 16.809 24.308 ( 0.000 0.000 -0.914) 0.914 24.308 ( 0.000 0.000 0.914) 0.914 24.588 ( 0.000 0.000 -5.977) 5.977 24.588 ( 0.000 0.000 5.977) 5.977 26.671 ( 0.000 0.000 -17.011) 17.011 26.671 ( 0.000 0.000 17.011) 17.011 98.966 ( 0.000 0.000 -6.230) 6.230 98.966 ( 0.000 0.000 6.230) 6.230 ======================= Grid point 351 (49/56) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( 17.749 30.742 -28.387) 45.452 3.325 ( 17.749 30.742 28.387) 45.452 4.011 ( 22.176 38.411 -35.055) 56.534 4.011 ( 22.176 38.411 35.055) 56.534 5.304 ( 9.536 16.517 -42.964) 47.007 5.304 ( 9.536 16.517 42.964) 47.007 6.595 ( 2.461 4.262 -8.451) 9.780 6.595 ( 2.461 4.262 8.451) 9.780 7.179 ( 11.774 20.394 -18.617) 30.019 7.179 ( 11.774 20.394 18.617) 30.019 7.826 ( 5.757 9.971 -2.205) 11.723 7.826 ( 5.757 9.971 2.205) 11.723 8.454 ( -2.680 -4.641 -6.889) 8.728 8.454 ( -2.680 -4.641 6.889) 8.728 8.651 ( 4.044 7.005 -2.782) 8.553 8.651 ( 4.044 7.005 2.782) 8.553 9.319 ( -4.417 -7.650 -9.282) 12.814 9.319 ( -4.417 -7.650 9.282) 12.814 9.739 ( -0.559 -0.969 -4.393) 4.534 9.739 ( -0.559 -0.969 4.393) 4.534 9.911 ( 1.045 1.811 -3.329) 3.931 9.911 ( 1.045 1.811 3.329) 3.931 10.796 ( 1.455 2.520 -2.719) 3.983 10.796 ( 1.455 2.520 2.719) 3.983 11.143 ( 8.517 14.752 -2.772) 17.259 11.143 ( 8.517 14.752 2.772) 17.259 11.833 ( 6.742 11.677 -7.241) 15.305 11.833 ( 6.742 11.677 7.241) 15.305 12.109 ( -3.792 -6.569 -2.490) 7.983 12.109 ( -3.792 -6.569 2.490) 7.983 12.480 ( 2.659 4.606 -6.036) 8.045 12.480 ( 2.659 4.606 6.036) 8.045 12.982 ( 1.942 3.364 -1.689) 4.236 12.982 ( 1.942 3.364 1.689) 4.236 13.502 ( -3.516 -6.091 -5.736) 9.076 13.502 ( -3.516 -6.091 5.736) 9.076 13.964 ( 0.804 1.393 -8.053) 8.212 13.964 ( 0.804 1.393 8.053) 8.212 14.281 ( 4.360 7.552 -0.102) 8.721 14.281 ( 4.360 7.552 0.102) 8.721 14.695 ( -1.326 -2.296 -0.362) 2.676 14.695 ( -1.326 -2.296 0.362) 2.676 14.932 ( 0.490 0.849 -3.667) 3.796 14.932 ( 0.490 0.849 3.667) 3.796 15.550 ( -5.147 -8.915 -0.293) 10.298 15.550 ( -5.147 -8.915 0.293) 10.298 16.029 ( 0.883 1.530 -0.883) 1.975 16.029 ( 0.883 1.530 0.883) 1.975 16.683 ( -12.641 -21.895 -7.382) 26.338 16.683 ( -12.641 -21.895 7.382) 26.338 16.798 ( -10.572 -18.311 -5.468) 21.840 16.798 ( -10.572 -18.311 5.468) 21.840 17.316 ( 3.709 6.425 -2.472) 7.820 17.316 ( 3.709 6.425 2.472) 7.820 17.686 ( 5.593 9.688 -1.860) 11.340 17.686 ( 5.593 9.688 1.860) 11.340 18.727 ( -4.488 -7.773 -1.540) 9.107 18.727 ( -4.488 -7.773 1.540) 9.107 19.023 ( -2.882 -4.992 -2.070) 6.124 19.023 ( -2.882 -4.992 2.070) 6.124 19.361 ( -3.696 -6.401 -2.839) 7.918 19.361 ( -3.696 -6.401 2.839) 7.918 19.992 ( -0.070 -0.121 -4.815) 4.817 19.992 ( -0.070 -0.121 4.815) 4.817 20.255 ( -0.384 -0.665 -0.316) 0.830 20.255 ( -0.384 -0.665 0.316) 0.830 20.368 ( 0.180 0.312 -0.732) 0.816 20.368 ( 0.180 0.312 0.732) 0.816 20.807 ( -2.280 -3.950 -0.717) 4.617 20.807 ( -2.280 -3.950 0.717) 4.617 21.225 ( 6.476 11.217 -3.889) 13.524 21.225 ( 6.476 11.217 3.889) 13.524 21.928 ( 2.540 4.399 -2.794) 5.798 21.928 ( 2.540 4.399 2.794) 5.798 23.328 ( -6.755 -11.701 -7.051) 15.240 23.328 ( -6.755 -11.701 7.051) 15.240 23.847 ( -0.444 -0.769 -7.291) 7.345 23.847 ( -0.444 -0.769 7.291) 7.345 24.185 ( 7.272 12.595 -2.633) 14.780 24.185 ( 7.272 12.595 2.633) 14.780 26.225 ( 6.875 11.907 -20.812) 24.943 26.225 ( 6.875 11.907 20.812) 24.943 99.377 ( -5.445 -9.432 -6.178) 12.521 99.377 ( -5.445 -9.432 6.178) 12.521 ======================= Grid point 353 (50/56) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 22.609 32.445 -18.116) 43.497 4.036 ( 22.609 32.445 18.116) 43.497 4.546 ( 10.847 14.063 -42.159) 45.747 4.546 ( 10.847 14.063 42.159) 45.747 5.995 ( 32.183 27.513 -11.163) 43.787 5.995 ( 32.183 27.513 11.163) 43.787 6.695 ( 0.091 11.019 -13.428) 17.371 6.695 ( 0.091 11.019 13.428) 17.371 7.522 ( 7.906 8.531 -10.925) 15.958 7.522 ( 7.906 8.531 10.925) 15.958 7.958 ( -3.427 7.188 -8.099) 11.359 7.958 ( -3.427 7.188 8.099) 11.359 8.489 ( 12.361 1.462 -6.973) 14.268 8.489 ( 12.361 1.462 6.973) 14.268 8.795 ( 2.384 7.282 -5.418) 9.385 8.795 ( 2.384 7.282 5.418) 9.385 9.237 ( 5.438 -4.703 -13.417) 15.223 9.237 ( 5.438 -4.703 13.417) 15.223 9.626 ( -6.743 1.478 -8.649) 11.066 9.626 ( -6.743 1.478 8.649) 11.066 10.152 ( 14.294 8.202 -9.093) 18.822 10.152 ( 14.294 8.202 9.093) 18.822 10.863 ( 4.294 -1.407 -11.978) 12.802 10.863 ( 4.294 -1.407 11.978) 12.802 11.348 ( -1.261 8.548 -5.377) 10.176 11.348 ( -1.261 8.548 5.377) 10.176 11.898 ( 3.560 0.597 -4.231) 5.562 11.898 ( 3.560 0.597 4.231) 5.562 12.262 ( 5.692 15.633 -8.923) 18.879 12.262 ( 5.692 15.633 8.923) 18.879 12.616 ( 7.972 5.585 -6.633) 11.779 12.616 ( 7.972 5.585 6.633) 11.779 13.061 ( 2.527 3.470 -3.234) 5.375 13.061 ( 2.527 3.470 3.234) 5.375 13.483 ( 5.548 -1.919 -5.464) 8.020 13.483 ( 5.548 -1.919 5.464) 8.020 13.952 ( -4.014 3.945 -5.708) 8.016 13.952 ( -4.014 3.945 5.708) 8.016 14.361 ( 1.257 -7.388 -3.127) 8.120 14.361 ( 1.257 -7.388 3.127) 8.120 14.646 ( -6.176 2.487 -2.001) 6.952 14.646 ( -6.176 2.487 2.001) 6.952 14.881 ( -5.073 -2.532 -2.277) 6.110 14.881 ( -5.073 -2.532 2.277) 6.110 15.421 ( 0.240 -6.759 -2.263) 7.131 15.421 ( 0.240 -6.759 2.263) 7.131 16.003 ( -6.119 -4.515 -2.142) 7.900 16.003 ( -6.119 -4.515 2.142) 7.900 16.211 ( -14.234 -12.660 -12.530) 22.801 16.211 ( -14.234 -12.660 12.530) 22.801 16.404 ( -9.858 -15.807 -7.235) 19.985 16.404 ( -9.858 -15.807 7.235) 19.985 17.447 ( 3.873 -2.365 -1.540) 4.793 17.447 ( 3.873 -2.365 1.540) 4.793 17.628 ( -7.625 -6.898 -4.721) 11.314 17.628 ( -7.625 -6.898 4.721) 11.314 18.646 ( -2.730 0.276 -5.430) 6.084 18.646 ( -2.730 0.276 5.430) 6.084 18.977 ( 3.019 -1.422 -3.312) 4.702 18.977 ( 3.019 -1.422 3.312) 4.702 19.245 ( -6.206 1.570 -2.139) 6.750 19.245 ( -6.206 1.570 2.139) 6.750 19.996 ( 3.499 -4.687 -4.713) 7.511 19.996 ( 3.499 -4.687 4.713) 7.511 20.234 ( -0.782 -1.113 -1.512) 2.034 20.234 ( -0.782 -1.113 1.512) 2.034 20.378 ( 0.258 0.852 -4.064) 4.160 20.378 ( 0.258 0.852 4.064) 4.160 20.730 ( -3.340 -0.613 -0.894) 3.512 20.730 ( -3.340 -0.613 0.894) 3.512 21.441 ( 4.454 9.200 -6.061) 11.883 21.441 ( 4.454 9.200 6.061) 11.883 21.983 ( 0.682 -0.240 -4.342) 4.402 21.983 ( 0.682 -0.240 4.342) 4.402 23.034 ( -11.037 -10.137 -2.652) 15.219 23.034 ( -11.037 -10.137 2.652) 15.219 23.902 ( 9.181 -6.122 -3.889) 11.700 23.902 ( 9.181 -6.122 3.889) 11.700 24.457 ( 4.035 18.861 -1.411) 19.339 24.457 ( 4.035 18.861 1.411) 19.339 26.441 ( 6.502 5.539 -22.305) 23.884 26.441 ( 6.502 5.539 22.305) 23.884 99.186 ( -5.842 -6.802 -7.342) 11.589 99.186 ( -5.842 -6.802 7.342) 11.589 ======================= Grid point 355 (51/56) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.650 ( 15.639 11.598 -18.022) 26.531 4.650 ( 15.639 11.598 18.022) 26.531 4.952 ( 13.310 31.231 -10.656) 35.582 4.952 ( 13.310 31.231 10.656) 35.582 6.485 ( 4.106 -0.084 -9.889) 10.708 6.485 ( 4.106 -0.084 9.889) 10.708 6.837 ( -4.129 13.546 -10.252) 17.483 6.837 ( -4.129 13.546 10.252) 17.483 7.670 ( 5.135 -4.733 -11.605) 13.544 7.670 ( 5.135 -4.733 11.605) 13.544 8.087 ( 9.556 21.480 -8.385) 24.960 8.087 ( 9.556 21.480 8.385) 24.960 8.570 ( -5.257 -1.788 -8.712) 10.331 8.570 ( -5.257 -1.788 8.712) 10.331 9.059 ( 11.423 12.965 -25.627) 30.908 9.059 ( 11.423 12.965 25.627) 30.908 9.449 ( 16.867 4.456 -10.291) 20.255 9.449 ( 16.867 4.456 10.291) 20.255 9.656 ( 11.613 -0.247 -9.769) 15.177 9.656 ( 11.613 -0.247 9.769) 15.177 10.422 ( 5.434 4.324 -9.329) 11.630 10.422 ( 5.434 4.324 9.329) 11.630 10.874 ( 8.193 -12.299 -5.233) 15.677 10.874 ( 8.193 -12.299 5.233) 15.677 11.496 ( 5.857 16.497 -4.254) 18.016 11.496 ( 5.857 16.497 4.254) 18.016 11.974 ( -0.924 4.055 -7.540) 8.611 11.974 ( -0.924 4.055 7.540) 8.611 12.383 ( -7.203 8.958 -8.306) 14.182 12.383 ( -7.203 8.958 8.306) 14.182 12.893 ( 12.125 4.271 -5.656) 14.044 12.893 ( 12.125 4.271 5.656) 14.044 13.083 ( -4.581 1.015 -7.268) 8.651 13.083 ( -4.581 1.015 7.268) 8.651 13.609 ( 10.394 -3.871 -7.521) 13.401 13.609 ( 10.394 -3.871 7.521) 13.401 13.975 ( 2.347 6.702 -3.634) 7.977 13.975 ( 2.347 6.702 3.634) 7.977 14.197 ( -6.911 -11.588 -1.594) 13.586 14.197 ( -6.911 -11.588 1.594) 13.586 14.437 ( -12.733 -0.119 -4.981) 13.673 14.437 ( -12.733 -0.119 4.981) 13.673 14.753 ( -7.846 1.778 -6.249) 10.187 14.753 ( -7.846 1.778 6.249) 10.187 15.380 ( 1.172 -10.536 -5.660) 12.017 15.380 ( 1.172 -10.536 5.660) 12.017 15.703 ( -8.984 -14.615 -2.575) 17.348 15.703 ( -8.984 -14.615 2.575) 17.348 15.968 ( -8.571 -1.387 -6.161) 10.646 15.968 ( -8.571 -1.387 6.161) 10.646 16.246 ( -2.041 1.472 -6.525) 6.993 16.246 ( -2.041 1.472 6.525) 6.993 17.192 ( -9.004 -15.316 -11.135) 20.967 17.192 ( -9.004 -15.316 11.135) 20.967 17.639 ( 7.648 -6.412 -2.478) 10.283 17.639 ( 7.648 -6.412 2.478) 10.283 18.587 ( -6.327 5.249 -8.073) 11.522 18.587 ( -6.327 5.249 8.073) 11.522 19.038 ( 1.058 2.371 -2.727) 3.765 19.038 ( 1.058 2.371 2.727) 3.765 19.196 ( -1.651 2.887 -4.853) 5.883 19.196 ( -1.651 2.887 4.853) 5.883 20.010 ( 4.717 -8.122 -2.516) 9.723 20.010 ( 4.717 -8.122 2.516) 9.723 20.215 ( 1.211 -2.764 -2.828) 4.136 20.215 ( 1.211 -2.764 2.828) 4.136 20.390 ( -0.733 1.742 -5.001) 5.347 20.390 ( -0.733 1.742 5.001) 5.347 20.692 ( -3.803 6.497 -0.569) 7.549 20.692 ( -3.803 6.497 0.569) 7.549 21.531 ( -3.282 5.085 -5.581) 8.233 21.531 ( -3.282 5.085 5.581) 8.233 21.970 ( 1.699 -3.950 -6.484) 7.781 21.970 ( 1.699 -3.950 6.484) 7.781 22.783 ( -7.252 -5.775 -9.383) 13.191 22.783 ( -7.252 -5.775 9.383) 13.191 24.008 ( 11.049 -9.756 -2.260) 14.912 24.008 ( 11.049 -9.756 2.260) 14.912 24.692 ( -0.731 19.979 -3.326) 20.267 24.692 ( -0.731 19.979 3.326) 20.267 26.568 ( 4.729 -0.038 -19.549) 20.113 26.568 ( 4.729 -0.038 19.549) 20.113 99.042 ( -3.891 -3.996 -6.857) 8.839 99.042 ( -3.891 -3.996 6.857) 8.839 ======================= Grid point 357 (52/56) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.907 ( 6.866 1.726 -20.027) 21.242 4.907 ( 6.866 1.726 20.027) 21.242 5.483 ( 3.894 29.161 -4.717) 29.795 5.483 ( 3.894 29.161 4.717) 29.795 6.415 ( -5.839 -1.080 -9.947) 11.585 6.415 ( -5.839 -1.080 9.947) 11.585 6.773 ( -12.516 12.448 -5.732) 18.560 6.773 ( -12.516 12.448 5.732) 18.560 7.633 ( 2.285 -9.298 -10.876) 14.490 7.633 ( 2.285 -9.298 10.876) 14.490 8.381 ( 0.218 0.303 -9.183) 9.191 8.381 ( 0.218 0.303 9.183) 9.191 8.615 ( 4.339 15.287 -5.375) 16.776 8.615 ( 4.339 15.287 5.375) 16.776 9.248 ( 3.466 4.178 -19.818) 20.548 9.248 ( 3.466 4.178 19.818) 20.548 9.665 ( 7.460 -9.282 -2.541) 12.176 9.665 ( 7.460 -9.282 2.541) 12.176 9.968 ( 5.748 5.694 -8.332) 11.614 9.968 ( 5.748 5.694 8.332) 11.614 10.635 ( 20.983 7.089 -9.242) 23.999 10.635 ( 20.983 7.089 9.242) 23.999 10.986 ( 12.309 -9.034 -10.301) 18.418 10.986 ( 12.309 -9.034 10.301) 18.418 11.568 ( -9.497 -9.829 -9.460) 16.622 11.568 ( -9.497 -9.829 9.460) 16.622 12.067 ( 2.857 11.619 -5.003) 12.968 12.067 ( 2.857 11.619 5.003) 12.968 12.262 ( -8.791 7.282 -2.340) 11.652 12.262 ( -8.791 7.282 2.340) 11.652 12.737 ( -16.802 -0.274 -8.282) 18.734 12.737 ( -16.802 -0.274 8.282) 18.734 13.220 ( 4.104 10.194 -8.263) 13.749 13.220 ( 4.104 10.194 8.263) 13.749 13.714 ( 7.294 -14.320 -4.556) 16.704 13.714 ( 7.294 -14.320 4.556) 16.704 13.900 ( -0.056 -10.328 -7.345) 12.674 13.900 ( -0.056 -10.328 7.345) 12.674 14.182 ( 1.084 6.929 -3.027) 7.638 14.182 ( 1.084 6.929 3.027) 7.638 14.407 ( -0.308 12.340 -3.359) 12.793 14.407 ( -0.308 12.340 3.359) 12.793 14.655 ( -4.943 3.542 -6.259) 8.726 14.655 ( -4.943 3.542 6.259) 8.726 15.215 ( -1.651 -11.656 -1.946) 11.932 15.215 ( -1.651 -11.656 1.946) 11.932 15.477 ( -7.117 -3.025 -2.571) 8.149 15.477 ( -7.117 -3.025 2.571) 8.149 15.827 ( -1.939 -6.064 -5.338) 8.308 15.827 ( -1.939 -6.064 5.338) 8.308 16.249 ( -2.736 5.270 -3.830) 7.066 16.249 ( -2.736 5.270 3.830) 7.066 17.018 ( 2.912 -9.161 -14.663) 17.533 17.018 ( 2.912 -9.161 14.663) 17.533 17.665 ( 8.984 -16.148 -4.543) 19.030 17.665 ( 8.984 -16.148 4.543) 19.030 18.546 ( -7.722 11.346 -11.879) 18.152 18.546 ( -7.722 11.346 11.879) 18.152 19.068 ( -1.218 4.296 -2.754) 5.246 19.068 ( -1.218 4.296 2.754) 5.246 19.206 ( -1.159 2.497 -8.082) 8.538 19.206 ( -1.159 2.497 8.082) 8.538 19.994 ( 4.615 -9.816 -1.621) 10.967 19.994 ( 4.615 -9.816 1.621) 10.967 20.223 ( 4.131 -5.834 -2.207) 7.482 20.223 ( 4.131 -5.834 2.207) 7.482 20.381 ( -2.716 3.273 -4.048) 5.872 20.381 ( -2.716 3.273 4.048) 5.872 20.720 ( -4.888 11.840 -1.626) 12.912 20.720 ( -4.888 11.840 1.626) 12.912 21.474 ( -4.512 1.934 -3.083) 5.797 21.474 ( -4.512 1.934 3.083) 5.797 21.977 ( 3.244 -4.389 -6.078) 8.169 21.977 ( 3.244 -4.389 6.078) 8.169 22.658 ( -2.403 -1.798 -16.311) 16.585 22.658 ( -2.403 -1.798 16.311) 16.585 24.077 ( 9.063 -12.110 -0.978) 15.157 24.077 ( 9.063 -12.110 0.978) 15.157 24.827 ( -6.441 18.005 -4.568) 19.661 24.827 ( -6.441 18.005 4.568) 19.661 26.619 ( 3.276 -3.429 -16.393) 17.066 26.619 ( 3.276 -3.429 16.393) 17.066 98.968 ( -1.132 -1.668 -6.227) 6.545 98.968 ( -1.132 -1.668 6.227) 6.545 ======================= Grid point 373 (53/56) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.574 ( 9.374 16.237 -19.760) 27.239 4.574 ( 9.374 16.237 19.760) 27.239 5.018 ( 19.340 33.498 -1.895) 38.727 5.018 ( 19.340 33.498 1.895) 38.727 6.413 ( 6.425 11.128 -2.921) 13.178 6.413 ( 6.425 11.128 2.921) 13.178 6.959 ( 6.804 11.785 -12.718) 18.626 6.959 ( 6.804 11.785 12.718) 18.626 7.629 ( -1.978 -3.426 -9.288) 10.095 7.629 ( -1.978 -3.426 9.288) 10.095 8.113 ( 9.143 15.837 -11.345) 21.520 8.113 ( 9.143 15.837 11.345) 21.520 8.662 ( 4.289 7.430 -4.190) 9.548 8.662 ( 4.289 7.430 4.190) 9.548 8.983 ( 6.993 12.112 -13.714) 19.588 8.983 ( 6.993 12.112 13.714) 19.588 9.242 ( 3.813 6.605 -17.101) 18.725 9.242 ( 3.813 6.605 17.101) 18.725 9.575 ( -0.474 -0.820 -12.777) 12.812 9.575 ( -0.474 -0.820 12.777) 12.812 10.384 ( 5.938 10.284 -0.333) 11.880 10.384 ( 5.938 10.284 0.333) 11.880 10.754 ( -4.719 -8.174 -9.023) 13.058 10.754 ( -4.719 -8.174 9.023) 13.058 11.514 ( 6.068 10.510 -5.072) 13.154 11.514 ( 6.068 10.510 5.072) 13.154 12.016 ( 3.542 6.135 -0.396) 7.095 12.016 ( 3.542 6.135 0.396) 7.095 12.569 ( 4.913 8.510 -9.940) 13.977 12.569 ( 4.913 8.510 9.940) 13.977 12.736 ( 5.391 9.338 -3.303) 11.277 12.736 ( 5.391 9.338 3.303) 11.277 13.122 ( 0.579 1.002 -9.005) 9.079 13.122 ( 0.579 1.002 9.005) 9.079 13.492 ( 1.284 2.223 -8.120) 8.516 13.492 ( 1.284 2.223 8.120) 8.516 13.996 ( 0.319 0.553 -4.924) 4.966 13.996 ( 0.319 0.553 4.924) 4.966 14.178 ( -4.068 -7.046 -4.064) 9.094 14.178 ( -4.068 -7.046 4.064) 9.094 14.594 ( -4.774 -8.269 -2.032) 9.762 14.594 ( -4.774 -8.269 2.032) 9.762 14.854 ( -1.067 -1.848 -1.733) 2.748 14.854 ( -1.067 -1.848 1.733) 2.748 15.279 ( -3.101 -5.371 -1.354) 6.347 15.279 ( -3.101 -5.371 1.354) 6.347 15.692 ( -11.076 -19.184 -1.515) 22.203 15.692 ( -11.076 -19.184 1.515) 22.203 16.074 ( -1.168 -2.024 -9.996) 10.266 16.074 ( -1.168 -2.024 9.996) 10.266 16.251 ( -1.135 -1.965 -9.439) 9.708 16.251 ( -1.135 -1.965 9.439) 9.708 17.196 ( -10.467 -18.130 -2.110) 21.041 17.196 ( -10.467 -18.130 2.110) 21.041 17.523 ( -2.658 -4.604 -0.604) 5.351 17.523 ( -2.658 -4.604 0.604) 5.351 18.683 ( 2.071 3.587 -5.754) 7.089 18.683 ( 2.071 3.587 5.754) 7.089 19.036 ( 2.701 4.679 -0.347) 5.414 19.036 ( 2.701 4.679 0.347) 5.414 19.236 ( -0.848 -1.468 -2.827) 3.296 19.236 ( -0.848 -1.468 2.827) 3.296 19.910 ( -1.761 -3.050 -2.559) 4.353 19.910 ( -1.761 -3.050 2.559) 4.353 20.183 ( -2.082 -3.607 -0.116) 4.166 20.183 ( -2.082 -3.607 0.116) 4.166 20.415 ( 1.422 2.463 -5.303) 6.017 20.415 ( 1.422 2.463 5.303) 6.017 20.760 ( 2.029 3.514 -0.932) 4.163 20.760 ( 2.029 3.514 0.932) 4.163 21.611 ( 3.539 6.129 -4.531) 8.404 21.611 ( 3.539 6.129 4.531) 8.404 21.917 ( -3.346 -5.795 -0.739) 6.732 21.917 ( -3.346 -5.795 0.739) 6.732 22.826 ( -5.213 -9.029 -7.391) 12.780 22.826 ( -5.213 -9.029 7.391) 12.780 23.839 ( -0.246 -0.425 -2.472) 2.520 23.839 ( -0.246 -0.425 2.472) 2.520 24.815 ( 8.780 15.208 -2.552) 17.745 24.815 ( 8.780 15.208 2.552) 17.745 26.516 ( 0.984 1.705 -19.575) 19.674 26.516 ( 0.984 1.705 19.575) 19.674 99.057 ( -3.125 -5.412 -6.939) 9.338 99.057 ( -3.125 -5.412 6.939) 9.338 ======================= Grid point 375 (54/56) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.830 ( 6.679 7.554 -19.884) 22.294 4.830 ( 6.679 7.554 19.884) 22.294 5.705 ( 12.161 36.322 -5.375) 38.679 5.705 ( 12.161 36.322 5.375) 38.679 6.489 ( -2.223 0.183 -4.297) 4.842 6.489 ( -2.223 0.183 4.297) 4.842 7.123 ( -4.408 14.985 -13.112) 20.394 7.123 ( -4.408 14.985 13.112) 20.394 7.485 ( -0.422 -10.765 -6.670) 12.671 7.485 ( -0.422 -10.765 6.670) 12.671 8.461 ( -1.612 11.204 -5.605) 12.632 8.461 ( -1.612 11.204 5.605) 12.632 8.692 ( 2.822 11.683 -3.569) 12.538 8.692 ( 2.822 11.683 3.569) 12.538 9.188 ( 7.091 -4.454 -21.567) 23.136 9.188 ( 7.091 -4.454 21.567) 23.136 9.393 ( 7.922 -4.947 -12.419) 15.539 9.393 ( 7.922 -4.947 12.419) 15.539 9.836 ( 15.401 14.944 -13.709) 25.465 9.836 ( 15.401 14.944 13.709) 25.465 10.467 ( 1.654 -0.508 -5.994) 6.238 10.467 ( 1.654 -0.508 5.994) 6.238 10.739 ( 10.040 4.014 -4.966) 11.898 10.739 ( 10.040 4.014 4.966) 11.898 11.646 ( -4.262 -3.541 -6.180) 8.300 11.646 ( -4.262 -3.541 6.180) 8.300 12.132 ( 2.647 9.601 -2.981) 10.396 12.132 ( 2.647 9.601 2.981) 10.396 12.513 ( -11.720 3.418 -1.241) 12.271 12.513 ( -11.720 3.418 1.241) 12.271 12.911 ( 0.581 -2.539 -3.645) 4.480 12.911 ( 0.581 -2.539 3.645) 4.480 13.128 ( 5.106 0.855 -9.958) 11.223 13.128 ( 5.106 0.855 9.958) 11.223 13.548 ( 2.650 -3.567 -11.210) 12.059 13.548 ( 2.650 -3.567 11.210) 12.059 13.872 ( -4.876 -5.658 -5.197) 9.099 13.872 ( -4.876 -5.658 5.197) 9.099 14.259 ( -0.323 7.633 -5.829) 9.610 14.259 ( -0.323 7.633 5.829) 9.610 14.460 ( 3.218 6.296 -7.565) 10.355 14.460 ( 3.218 6.296 7.565) 10.355 14.791 ( -3.731 1.405 -4.004) 5.650 14.791 ( -3.731 1.405 4.004) 5.650 15.153 ( -4.635 -9.220 -2.393) 10.593 15.153 ( -4.635 -9.220 2.393) 10.593 15.435 ( 0.264 -9.682 -2.429) 9.986 15.435 ( 0.264 -9.682 2.429) 9.986 15.961 ( -13.827 -2.976 -7.625) 16.068 15.961 ( -13.827 -2.976 7.625) 16.068 16.251 ( 4.789 -2.319 -1.400) 5.502 16.251 ( 4.789 -2.319 1.400) 5.502 16.904 ( -2.617 -9.244 -6.006) 11.331 16.904 ( -2.617 -9.244 6.006) 11.331 17.398 ( 0.600 -14.697 -1.071) 14.749 17.398 ( 0.600 -14.697 1.071) 14.749 18.761 ( -2.477 9.564 -8.700) 13.164 18.761 ( -2.477 9.564 8.700) 13.164 19.103 ( 1.251 2.419 -4.516) 5.273 19.103 ( 1.251 2.419 4.516) 5.273 19.244 ( 0.736 2.758 -4.656) 5.461 19.244 ( 0.736 2.758 4.656) 5.461 19.859 ( 0.651 -5.621 -1.172) 5.778 19.859 ( 0.651 -5.621 1.172) 5.778 20.108 ( 0.090 -6.264 -2.464) 6.732 20.108 ( 0.090 -6.264 2.464) 6.732 20.460 ( -0.418 3.742 -3.447) 5.104 20.460 ( -0.418 3.742 3.447) 5.104 20.869 ( 1.511 10.167 -1.258) 10.355 20.869 ( 1.511 10.167 1.258) 10.355 21.616 ( -8.232 1.830 -4.035) 9.349 21.616 ( -8.232 1.830 4.035) 9.349 21.836 ( 4.496 -7.899 -4.277) 10.045 21.836 ( 4.496 -7.899 4.277) 10.045 22.686 ( -3.175 -3.308 -15.516) 16.179 22.686 ( -3.175 -3.308 15.516) 16.179 23.853 ( 4.321 -5.185 -1.311) 6.875 23.853 ( 4.321 -5.185 1.311) 6.875 25.066 ( 1.042 15.608 -3.877) 16.116 25.066 ( 1.042 15.608 3.877) 16.116 26.524 ( 1.673 -3.794 -14.853) 15.421 26.524 ( 1.673 -3.794 14.853) 15.421 98.970 ( -1.714 -2.787 -6.222) 7.029 98.970 ( -1.714 -2.787 6.222) 7.029 ======================= Grid point 377 (55/56) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.939 ( -0.665 1.151 -12.174) 12.246 4.939 ( -0.665 1.151 12.174) 12.246 6.047 ( -12.841 22.241 -1.818) 25.746 6.047 ( -12.841 22.241 1.818) 25.746 6.434 ( -1.650 2.857 -5.311) 6.253 6.434 ( -1.650 2.857 5.311) 6.253 7.149 ( -10.667 18.476 -3.567) 21.630 7.149 ( -10.667 18.476 3.567) 21.630 7.429 ( 3.570 -6.183 -0.061) 7.140 7.429 ( 3.570 -6.183 0.061) 7.140 8.413 ( -1.532 2.654 -1.326) 3.339 8.413 ( -1.532 2.654 1.326) 3.339 8.899 ( -6.396 11.079 -2.271) 12.993 8.899 ( -6.396 11.079 2.271) 12.993 9.179 ( 7.370 -12.765 -4.524) 15.419 9.179 ( 7.370 -12.765 4.524) 15.419 9.441 ( 5.190 -8.989 -0.463) 10.390 9.441 ( 5.190 -8.989 0.463) 10.390 10.019 ( -0.353 0.611 -9.027) 9.054 10.019 ( -0.353 0.611 9.027) 9.054 10.559 ( 4.812 -8.335 -7.067) 11.940 10.559 ( 4.812 -8.335 7.067) 11.940 11.106 ( -2.268 3.928 -9.166) 10.227 11.106 ( -2.268 3.928 9.166) 10.227 11.319 ( 0.054 -0.093 -9.206) 9.207 11.319 ( 0.054 -0.093 9.206) 9.207 12.163 ( -2.449 4.242 -0.241) 4.904 12.163 ( -2.449 4.242 0.241) 4.904 12.478 ( -3.740 6.477 -7.435) 10.546 12.478 ( -3.740 6.477 7.435) 10.546 12.857 ( -4.683 8.111 -0.581) 9.384 12.857 ( -4.683 8.111 0.581) 9.384 13.203 ( 12.835 -22.231 -0.230) 25.671 13.203 ( 12.835 -22.231 0.230) 25.671 13.519 ( -4.133 7.158 -10.983) 13.745 13.519 ( -4.133 7.158 10.983) 13.745 13.805 ( 0.168 -0.290 -5.809) 5.819 13.805 ( 0.168 -0.290 5.809) 5.819 14.245 ( -1.010 1.749 -2.854) 3.496 14.245 ( -1.010 1.749 2.854) 3.496 14.673 ( -6.476 11.216 -0.573) 12.964 14.673 ( -6.476 11.216 0.573) 12.964 14.777 ( -3.840 6.652 -3.163) 8.307 14.777 ( -3.840 6.652 3.163) 8.307 15.036 ( 2.922 -5.061 -1.154) 5.957 15.036 ( 2.922 -5.061 1.154) 5.957 15.397 ( 2.852 -4.940 -1.715) 5.956 15.397 ( 2.852 -4.940 1.715) 5.956 15.721 ( 2.284 -3.956 -3.184) 5.568 15.721 ( 2.284 -3.956 3.184) 5.568 16.296 ( 0.893 -1.547 -0.467) 1.846 16.296 ( 0.893 -1.547 0.467) 1.846 16.869 ( 1.802 -3.122 -7.160) 8.016 16.869 ( 1.802 -3.122 7.160) 8.016 17.306 ( 9.218 -15.966 -2.701) 18.632 17.306 ( 9.218 -15.966 2.701) 18.632 18.782 ( -5.900 10.220 -10.956) 16.103 18.782 ( -5.900 10.220 10.956) 16.103 19.138 ( -0.313 0.543 -6.449) 6.479 19.138 ( -0.313 0.543 6.449) 6.479 19.272 ( -2.256 3.908 -5.400) 7.037 19.272 ( -2.256 3.908 5.400) 7.037 19.829 ( 3.038 -5.262 -0.753) 6.123 19.829 ( 3.038 -5.262 0.753) 6.123 20.075 ( 3.772 -6.533 -2.830) 8.057 20.075 ( 3.772 -6.533 2.830) 8.057 20.474 ( -2.220 3.846 -2.445) 5.069 20.474 ( -2.220 3.846 2.445) 5.069 20.957 ( -5.960 10.323 -3.249) 12.354 20.957 ( -5.960 10.323 3.249) 12.354 21.515 ( -0.986 1.708 -1.632) 2.560 21.515 ( -0.986 1.708 1.632) 2.560 21.847 ( 4.213 -7.298 -4.258) 9.442 21.847 ( 4.213 -7.298 4.258) 9.442 22.642 ( -0.027 0.047 -18.642) 18.642 22.642 ( -0.027 0.047 18.642) 18.642 23.868 ( 4.359 -7.550 -0.676) 8.744 23.868 ( 4.359 -7.550 0.676) 8.744 25.159 ( -7.465 12.930 -4.421) 15.571 25.159 ( -7.465 12.930 4.421) 15.571 26.516 ( 3.233 -5.599 -11.887) 13.532 26.516 ( 3.233 -5.599 11.887) 13.532 98.940 ( 0.526 -0.911 -5.902) 5.995 98.940 ( 0.526 -0.911 5.902) 5.995 ======================= Grid point 397 (56/56) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.951 ( 1.973 3.417 -8.018) 8.936 4.951 ( 1.973 3.417 8.018) 8.936 6.285 ( 9.629 16.678 -2.572) 19.430 6.285 ( 9.629 16.678 2.572) 19.430 6.493 ( -0.141 -0.244 -1.407) 1.435 6.493 ( -0.141 -0.244 1.407) 1.435 7.209 ( -3.074 -5.325 -7.234) 9.494 7.209 ( -3.074 -5.325 7.234) 9.494 7.548 ( 8.307 14.388 -10.894) 19.868 7.548 ( 8.307 14.388 10.894) 19.868 8.473 ( -5.012 -8.682 -0.895) 10.065 8.473 ( -5.012 -8.682 0.895) 10.065 8.879 ( 1.909 3.306 -4.563) 5.949 8.879 ( 1.909 3.306 4.563) 5.949 9.096 ( 1.954 3.385 -12.139) 12.752 9.096 ( 1.954 3.385 12.139) 12.752 9.322 ( -2.480 -4.295 -10.455) 11.572 9.322 ( -2.480 -4.295 10.455) 11.572 10.028 ( 2.104 3.644 -5.561) 6.974 10.028 ( 2.104 3.644 5.561) 6.974 10.465 ( 0.430 0.746 -6.971) 7.024 10.465 ( 0.430 0.746 6.971) 7.024 11.016 ( 8.051 13.944 -4.885) 16.826 11.016 ( 8.051 13.944 4.885) 16.826 11.486 ( -3.036 -5.259 -5.945) 8.498 11.486 ( -3.036 -5.259 5.945) 8.498 12.255 ( -0.243 -0.420 -1.581) 1.653 12.255 ( -0.243 -0.420 1.581) 1.653 12.557 ( 1.055 1.828 -0.439) 2.155 12.557 ( 1.055 1.828 0.439) 2.155 12.771 ( -5.193 -8.994 -0.290) 10.389 12.771 ( -5.193 -8.994 0.290) 10.389 13.038 ( -2.404 -4.164 -7.177) 8.639 13.038 ( -2.404 -4.164 7.177) 8.639 13.576 ( 4.095 7.092 -15.747) 17.749 13.576 ( 4.095 7.092 15.747) 17.749 13.828 ( -2.749 -4.762 -5.723) 7.937 13.828 ( -2.749 -4.762 5.723) 7.937 14.289 ( 0.480 0.831 -2.131) 2.337 14.289 ( 0.480 0.831 2.131) 2.337 14.788 ( 6.410 11.102 -2.908) 13.145 14.788 ( 6.410 11.102 2.908) 13.145 14.848 ( 4.742 8.213 -0.708) 9.510 14.848 ( 4.742 8.213 0.708) 9.510 15.026 ( 0.222 0.384 -0.070) 0.449 15.026 ( 0.222 0.384 0.070) 0.449 15.309 ( -2.416 -4.184 -0.669) 4.877 15.309 ( -2.416 -4.184 0.669) 4.877 15.677 ( -11.386 -19.721 -4.308) 23.175 15.677 ( -11.386 -19.721 4.308) 23.175 16.253 ( 1.171 2.027 -1.709) 2.899 16.253 ( 1.171 2.027 1.709) 2.899 16.870 ( 2.369 4.103 -2.507) 5.360 16.870 ( 2.369 4.103 2.507) 5.360 17.108 ( -6.722 -11.643 -0.593) 13.457 17.108 ( -6.722 -11.643 0.593) 13.457 18.913 ( 2.432 4.212 -11.545) 12.528 18.913 ( 2.432 4.212 11.545) 12.528 19.112 ( -0.376 -0.652 -0.967) 1.225 19.112 ( -0.376 -0.652 0.967) 1.225 19.325 ( 2.060 3.569 -1.634) 4.433 19.325 ( 2.060 3.569 1.634) 4.433 19.781 ( -1.213 -2.102 -2.874) 3.762 19.781 ( -1.213 -2.102 2.874) 3.762 19.998 ( -1.954 -3.384 -1.867) 4.331 19.998 ( -1.954 -3.384 1.867) 4.331 20.516 ( 0.834 1.445 -1.314) 2.124 20.516 ( 0.834 1.445 1.314) 2.124 21.083 ( 5.093 8.821 -4.481) 11.128 21.083 ( 5.093 8.821 4.481) 11.128 21.535 ( -4.305 -7.457 -1.647) 8.766 21.535 ( -4.305 -7.457 1.647) 8.766 21.748 ( -0.320 -0.554 -1.598) 1.721 21.748 ( -0.320 -0.554 1.598) 1.721 22.646 ( -0.480 -0.832 -19.318) 19.342 22.646 ( -0.480 -0.832 19.318) 19.342 23.786 ( -0.879 -1.523 -0.475) 1.822 23.786 ( -0.879 -1.523 0.475) 1.822 25.305 ( 3.770 6.530 -2.548) 7.959 25.305 ( 3.770 6.530 2.548) 7.959 26.445 ( -1.580 -2.737 -6.845) 7.540 26.445 ( -1.580 -2.737 6.845) 7.540 98.931 ( -0.566 -0.981 -5.775) 5.885 98.931 ( -0.566 -0.981 5.775) 5.885 =================== 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 3/50400 10.0 21013.402 21013.402 12209.829 -0.000 0.000 -0.000 3/50400 20.0 9034.124 9034.124 3262.601 -0.000 -0.000 -0.000 3/50400 30.0 1777.203 1777.203 921.392 -0.000 -0.000 -0.000 3/50400 40.0 621.697 621.697 327.455 -0.000 -0.000 -0.000 3/50400 50.0 315.038 315.038 160.709 -0.000 -0.000 -0.000 3/50400 60.0 192.842 192.842 97.061 -0.000 -0.000 -0.000 3/50400 70.0 131.263 131.263 66.312 -0.000 -0.000 -0.000 3/50400 80.0 95.736 95.736 49.005 -0.000 -0.000 -0.000 3/50400 90.0 73.376 73.376 38.215 -0.000 -0.000 -0.000 3/50400 100.0 58.401 58.401 30.977 -0.000 -0.000 -0.000 3/50400 110.0 47.882 47.882 25.852 -0.000 -0.000 -0.000 3/50400 120.0 40.208 40.208 22.066 -0.000 -0.000 -0.000 3/50400 130.0 34.431 34.431 19.175 -0.000 -0.000 -0.000 3/50400 140.0 29.969 29.969 16.908 -0.000 -0.000 -0.000 3/50400 150.0 26.444 26.444 15.090 -0.000 -0.000 -0.000 3/50400 160.0 23.607 23.607 13.606 -0.000 -0.000 -0.000 3/50400 170.0 21.284 21.284 12.374 -0.000 -0.000 -0.000 3/50400 180.0 19.356 19.356 11.338 -0.000 -0.000 -0.000 3/50400 190.0 17.735 17.735 10.457 -0.000 -0.000 -0.000 3/50400 200.0 16.356 16.356 9.699 -0.000 -0.000 -0.000 3/50400 210.0 15.171 15.171 9.041 -0.000 -0.000 -0.000 3/50400 220.0 14.143 14.143 8.466 -0.000 -0.000 -0.000 3/50400 230.0 13.244 13.244 7.959 -0.000 -0.000 -0.000 3/50400 240.0 12.453 12.453 7.509 -0.000 -0.000 -0.000 3/50400 250.0 11.751 11.751 7.108 -0.000 -0.000 -0.000 3/50400 260.0 11.125 11.125 6.747 -0.000 -0.000 -0.000 3/50400 270.0 10.563 10.563 6.422 -0.000 -0.000 -0.000 3/50400 280.0 10.056 10.056 6.127 -0.000 -0.000 -0.000 3/50400 290.0 9.596 9.596 5.859 -0.000 -0.000 -0.000 3/50400 300.0 9.178 9.178 5.613 -0.000 -0.000 -0.000 3/50400 310.0 8.795 8.795 5.388 -0.000 -0.000 -0.000 3/50400 320.0 8.444 8.444 5.181 -0.000 -0.000 -0.000 3/50400 330.0 8.121 8.121 4.989 -0.000 -0.000 -0.000 3/50400 340.0 7.822 7.822 4.812 -0.000 -0.000 -0.000 3/50400 350.0 7.546 7.546 4.647 -0.000 -0.000 -0.000 3/50400 360.0 7.289 7.289 4.494 -0.000 -0.000 -0.000 3/50400 370.0 7.049 7.049 4.350 -0.000 -0.000 -0.000 3/50400 380.0 6.825 6.825 4.216 -0.000 -0.000 -0.000 3/50400 390.0 6.616 6.616 4.090 -0.000 -0.000 -0.000 3/50400 400.0 6.419 6.419 3.972 -0.000 -0.000 -0.000 3/50400 410.0 6.235 6.235 3.860 -0.000 -0.000 -0.000 3/50400 420.0 6.061 6.061 3.755 -0.000 -0.000 -0.000 3/50400 430.0 5.897 5.897 3.656 -0.000 -0.000 -0.000 3/50400 440.0 5.741 5.741 3.562 -0.000 -0.000 -0.000 3/50400 450.0 5.594 5.594 3.473 -0.000 -0.000 -0.000 3/50400 460.0 5.455 5.455 3.388 -0.000 -0.000 -0.000 3/50400 470.0 5.323 5.323 3.307 -0.000 -0.000 -0.000 3/50400 480.0 5.197 5.197 3.231 -0.000 -0.000 -0.000 3/50400 490.0 5.077 5.077 3.158 -0.000 -0.000 -0.000 3/50400 500.0 4.963 4.963 3.088 -0.000 -0.000 -0.000 3/50400 510.0 4.854 4.854 3.021 -0.000 -0.000 -0.000 3/50400 520.0 4.750 4.750 2.958 -0.000 -0.000 -0.000 3/50400 530.0 4.651 4.651 2.897 -0.000 -0.000 -0.000 3/50400 540.0 4.555 4.555 2.838 -0.000 -0.000 -0.000 3/50400 550.0 4.464 4.464 2.782 -0.000 -0.000 -0.000 3/50400 560.0 4.376 4.376 2.728 -0.000 -0.000 -0.000 3/50400 570.0 4.292 4.292 2.677 -0.000 -0.000 -0.000 3/50400 580.0 4.211 4.211 2.627 -0.000 -0.000 -0.000 3/50400 590.0 4.133 4.133 2.579 -0.000 -0.000 -0.000 3/50400 600.0 4.059 4.059 2.533 -0.000 -0.000 -0.000 3/50400 610.0 3.986 3.986 2.488 -0.000 -0.000 -0.000 3/50400 620.0 3.917 3.917 2.446 -0.000 -0.000 -0.000 3/50400 630.0 3.850 3.850 2.404 -0.000 -0.000 -0.000 3/50400 640.0 3.785 3.785 2.364 -0.000 -0.000 -0.000 3/50400 650.0 3.723 3.723 2.326 -0.000 -0.000 -0.000 3/50400 660.0 3.662 3.662 2.288 -0.000 -0.000 -0.000 3/50400 670.0 3.604 3.604 2.252 -0.000 -0.000 -0.000 3/50400 680.0 3.547 3.547 2.217 -0.000 -0.000 -0.000 3/50400 690.0 3.492 3.492 2.183 -0.000 -0.000 -0.000 3/50400 700.0 3.439 3.439 2.150 -0.000 -0.000 -0.000 3/50400 710.0 3.388 3.388 2.118 -0.000 -0.000 -0.000 3/50400 720.0 3.338 3.338 2.088 -0.000 -0.000 -0.000 3/50400 730.0 3.290 3.290 2.058 -0.000 -0.000 -0.000 3/50400 740.0 3.243 3.243 2.028 -0.000 -0.000 -0.000 3/50400 750.0 3.197 3.197 2.000 -0.000 -0.000 -0.000 3/50400 760.0 3.153 3.153 1.973 -0.000 -0.000 -0.000 3/50400 770.0 3.110 3.110 1.946 -0.000 -0.000 -0.000 3/50400 780.0 3.068 3.068 1.920 -0.000 -0.000 -0.000 3/50400 790.0 3.028 3.028 1.895 -0.000 -0.000 -0.000 3/50400 800.0 2.988 2.988 1.870 -0.000 -0.000 -0.000 3/50400 810.0 2.949 2.949 1.846 -0.000 -0.000 -0.000 3/50400 820.0 2.912 2.912 1.823 -0.000 -0.000 -0.000 3/50400 830.0 2.875 2.875 1.800 -0.000 -0.000 -0.000 3/50400 840.0 2.840 2.840 1.778 -0.000 -0.000 -0.000 3/50400 850.0 2.805 2.805 1.756 -0.000 -0.000 -0.000 3/50400 860.0 2.771 2.771 1.735 -0.000 -0.000 -0.000 3/50400 870.0 2.738 2.738 1.714 -0.000 -0.000 -0.000 3/50400 880.0 2.706 2.706 1.694 -0.000 -0.000 -0.000 3/50400 890.0 2.674 2.674 1.674 -0.000 -0.000 -0.000 3/50400 900.0 2.643 2.643 1.655 -0.000 -0.000 -0.000 3/50400 910.0 2.613 2.613 1.637 -0.000 -0.000 -0.000 3/50400 920.0 2.584 2.584 1.618 -0.000 -0.000 -0.000 3/50400 930.0 2.555 2.555 1.600 -0.000 -0.000 -0.000 3/50400 940.0 2.527 2.527 1.583 -0.000 -0.000 -0.000 3/50400 950.0 2.500 2.500 1.566 -0.000 -0.000 -0.000 3/50400 960.0 2.473 2.473 1.549 -0.000 -0.000 -0.000 3/50400 970.0 2.447 2.447 1.533 -0.000 -0.000 -0.000 3/50400 980.0 2.421 2.421 1.516 -0.000 -0.000 -0.000 3/50400 990.0 2.396 2.396 1.501 -0.000 -0.000 -0.000 3/50400 1000.0 2.371 2.371 1.485 -0.000 -0.000 -0.000 3/50400 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:39:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|