----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:58:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.625962040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.153197700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.298643760000004 Atomic positions (fractional): *1 Tl 0.40746875721078 0.77833038403889 0.68480396529268 204.383 2 Tl 0.90746875721078 0.72166961596111 0.31519603470731 204.383 *3 Tl 0.58615902017932 0.82854662234710 0.47422648363662 204.383 4 Tl 0.08615902017932 0.67145337765290 0.52577351636338 204.383 5 Tl 0.41384097982068 0.32854662234710 0.02577351636338 204.383 6 Tl 0.09253124278922 0.27833038403889 0.68480396529268 204.383 7 Tl 0.58615902017932 0.67145337765290 0.97422648363662 204.383 8 Tl 0.09253124278922 0.22166961596111 0.18480396529269 204.383 9 Tl 0.91384097982068 0.32854662234710 0.47422648363662 204.383 10 Tl 0.90746875721078 0.77833038403889 0.81519603470732 204.383 11 Tl 0.08615902017932 0.82854662234710 0.02577351636338 204.383 12 Tl 0.40746875721078 0.72166961596111 0.18480396529269 204.383 13 Tl 0.59253124278922 0.22166961596111 0.31519603470731 204.383 *14 Tl 0.45601960008781 0.93092147655407 0.30676825511973 204.383 15 Tl 0.95601960008781 0.93092147655407 0.19323174488027 204.383 16 Tl 0.59253124278922 0.27833038403889 0.81519603470732 204.383 17 Tl 0.54398039991219 0.43092147655407 0.19323174488027 204.383 18 Tl 0.54398039991219 0.06907852344592 0.69323174488027 204.383 19 Tl 0.45601960008781 0.56907852344593 0.80676825511973 204.383 20 Tl 0.41384097982068 0.17145337765290 0.52577351636338 204.383 21 Tl 0.91384097982068 0.17145337765290 0.97422648363662 204.383 22 Tl 0.04398039991219 0.06907852344592 0.80676825511973 204.383 23 Tl 0.04398039991219 0.43092147655407 0.30676825511973 204.383 24 Tl 0.95601960008781 0.56907852344593 0.69323174488027 204.383 *25 As 0.95559641013432 0.55123497410157 0.08354851874929 74.922 26 As 0.54440358986568 0.05123497410157 0.08354851874929 74.922 27 As 0.04440358986568 0.05123497410157 0.41645148125071 74.922 28 As 0.54440358986568 0.44876502589843 0.58354851874929 74.922 29 As 0.04440358986568 0.44876502589843 0.91645148125071 74.922 30 As 0.45559641013432 0.94876502589843 0.91645148125071 74.922 31 As 0.45559641013432 0.55123497410157 0.41645148125071 74.922 32 As 0.95559641013432 0.94876502589843 0.58354851874929 74.922 *33 S 0.11248566101087 0.39043493449483 0.81725026754260 32.065 34 S 0.11248566101087 0.10956506550517 0.31725026754260 32.065 35 S 0.61248566101087 0.39043493449483 0.68274973245740 32.065 *36 S 0.85952194690256 0.55424832883068 0.41707400190250 32.065 37 S 0.38751433898913 0.89043493449483 0.81725026754260 32.065 *38 S 0.61856728390647 0.63005916791001 0.59053966474331 32.065 39 S 0.38143271609353 0.13005916791001 0.90946033525669 32.065 40 S 0.61248566101087 0.10956506550517 0.18274973245740 32.065 41 S 0.11856728390647 0.86994083208999 0.40946033525669 32.065 42 S 0.88143271609353 0.13005916791001 0.59053966474331 32.065 43 S 0.14047805309744 0.05424832883068 0.08292599809750 32.065 44 S 0.11856728390647 0.63005916791001 0.90946033525669 32.065 45 S 0.64047805309744 0.44575167116932 0.91707400190250 32.065 46 S 0.64047805309744 0.05424832883068 0.41707400190250 32.065 47 S 0.14047805309744 0.44575167116932 0.58292599809750 32.065 48 S 0.38143271609353 0.36994083208999 0.40946033525669 32.065 49 S 0.88143271609353 0.36994083208999 0.09053966474331 32.065 50 S 0.88751433898913 0.60956506550517 0.18274973245740 32.065 51 S 0.35952194690256 0.55424832883068 0.08292599809750 32.065 52 S 0.88751433898913 0.89043493449483 0.68274973245740 32.065 53 S 0.61856728390647 0.86994083208999 0.09053966474331 32.065 54 S 0.85952194690256 0.94575167116932 0.91707400190250 32.065 55 S 0.35952194690256 0.94575167116932 0.58292599809750 32.065 56 S 0.38751433898913 0.60956506550517 0.31725026754260 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.625962040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.153197700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.298643760000004 Atomic positions (fractional): *1 Tl 0.40746875721078 0.77833038403889 0.68480396529268 204.383 > 1 2 Tl 0.90746875721078 0.72166961596111 0.31519603470731 204.383 > 2 *3 Tl 0.58615902017932 0.82854662234710 0.47422648363662 204.383 > 3 4 Tl 0.08615902017932 0.67145337765290 0.52577351636338 204.383 > 4 5 Tl 0.41384097982068 0.32854662234710 0.02577351636338 204.383 > 5 6 Tl 0.09253124278922 0.27833038403889 0.68480396529268 204.383 > 6 7 Tl 0.58615902017932 0.67145337765290 0.97422648363662 204.383 > 7 8 Tl 0.09253124278922 0.22166961596111 0.18480396529269 204.383 > 8 9 Tl 0.91384097982068 0.32854662234710 0.47422648363662 204.383 > 9 10 Tl 0.90746875721078 0.77833038403889 0.81519603470732 204.383 > 10 11 Tl 0.08615902017932 0.82854662234710 0.02577351636338 204.383 > 11 12 Tl 0.40746875721078 0.72166961596111 0.18480396529269 204.383 > 12 13 Tl 0.59253124278922 0.22166961596111 0.31519603470731 204.383 > 13 *14 Tl 0.45601960008781 0.93092147655407 0.30676825511973 204.383 > 14 15 Tl 0.95601960008781 0.93092147655407 0.19323174488027 204.383 > 15 16 Tl 0.59253124278922 0.27833038403889 0.81519603470732 204.383 > 16 17 Tl 0.54398039991219 0.43092147655407 0.19323174488027 204.383 > 17 18 Tl 0.54398039991219 0.06907852344592 0.69323174488027 204.383 > 18 19 Tl 0.45601960008781 0.56907852344593 0.80676825511973 204.383 > 19 20 Tl 0.41384097982068 0.17145337765290 0.52577351636338 204.383 > 20 21 Tl 0.91384097982068 0.17145337765290 0.97422648363662 204.383 > 21 22 Tl 0.04398039991219 0.06907852344592 0.80676825511973 204.383 > 22 23 Tl 0.04398039991219 0.43092147655407 0.30676825511973 204.383 > 23 24 Tl 0.95601960008781 0.56907852344593 0.69323174488027 204.383 > 24 *25 As 0.95559641013432 0.55123497410157 0.08354851874929 74.922 > 25 26 As 0.54440358986568 0.05123497410157 0.08354851874929 74.922 > 26 27 As 0.04440358986568 0.05123497410157 0.41645148125071 74.922 > 27 28 As 0.54440358986568 0.44876502589843 0.58354851874929 74.922 > 28 29 As 0.04440358986568 0.44876502589843 0.91645148125071 74.922 > 29 30 As 0.45559641013432 0.94876502589843 0.91645148125071 74.922 > 30 31 As 0.45559641013432 0.55123497410157 0.41645148125071 74.922 > 31 32 As 0.95559641013432 0.94876502589843 0.58354851874929 74.922 > 32 *33 S 0.11248566101087 0.39043493449483 0.81725026754260 32.065 > 33 34 S 0.11248566101087 0.10956506550517 0.31725026754260 32.065 > 34 35 S 0.61248566101087 0.39043493449483 0.68274973245740 32.065 > 35 *36 S 0.85952194690256 0.55424832883068 0.41707400190250 32.065 > 36 37 S 0.38751433898913 0.89043493449483 0.81725026754260 32.065 > 37 *38 S 0.61856728390647 0.63005916791001 0.59053966474331 32.065 > 38 39 S 0.38143271609353 0.13005916791001 0.90946033525669 32.065 > 39 40 S 0.61248566101087 0.10956506550517 0.18274973245740 32.065 > 40 41 S 0.11856728390647 0.86994083208999 0.40946033525669 32.065 > 41 42 S 0.88143271609353 0.13005916791001 0.59053966474331 32.065 > 42 43 S 0.14047805309744 0.05424832883068 0.08292599809750 32.065 > 43 44 S 0.11856728390647 0.63005916791001 0.90946033525669 32.065 > 44 45 S 0.64047805309744 0.44575167116932 0.91707400190250 32.065 > 45 46 S 0.64047805309744 0.05424832883068 0.41707400190250 32.065 > 46 47 S 0.14047805309744 0.44575167116932 0.58292599809750 32.065 > 47 48 S 0.38143271609353 0.36994083208999 0.40946033525669 32.065 > 48 49 S 0.88143271609353 0.36994083208999 0.09053966474331 32.065 > 49 50 S 0.88751433898913 0.60956506550517 0.18274973245740 32.065 > 50 51 S 0.35952194690256 0.55424832883068 0.08292599809750 32.065 > 51 52 S 0.88751433898913 0.89043493449483 0.68274973245740 32.065 > 52 53 S 0.61856728390647 0.86994083208999 0.09053966474331 32.065 > 53 54 S 0.85952194690256 0.94575167116932 0.91707400190250 32.065 > 54 55 S 0.35952194690256 0.94575167116932 0.58292599809750 32.065 > 55 56 S 0.38751433898913 0.60956506550517 0.31725026754260 32.065 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.251924080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.153197700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.298643760000004 Atomic positions (fractional): *1 Tl 0.20373437860539 0.77833038403889 0.68480396529268 204.383 > 1 2 Tl 0.70373437860539 0.77833038403889 0.68480396529268 204.383 > 1 3 Tl 0.45373437860539 0.72166961596111 0.31519603470731 204.383 > 2 4 Tl 0.95373437860539 0.72166961596111 0.31519603470731 204.383 > 2 *5 Tl 0.29307951008966 0.82854662234710 0.47422648363662 204.383 > 3 6 Tl 0.79307951008966 0.82854662234710 0.47422648363662 204.383 > 3 7 Tl 0.04307951008966 0.67145337765290 0.52577351636338 204.383 > 4 8 Tl 0.54307951008966 0.67145337765290 0.52577351636338 204.383 > 4 9 Tl 0.20692048991034 0.32854662234710 0.02577351636338 204.383 > 5 10 Tl 0.70692048991034 0.32854662234710 0.02577351636338 204.383 > 5 11 Tl 0.04626562139461 0.27833038403889 0.68480396529268 204.383 > 6 12 Tl 0.54626562139461 0.27833038403889 0.68480396529268 204.383 > 6 13 Tl 0.29307951008966 0.67145337765290 0.97422648363662 204.383 > 7 14 Tl 0.79307951008966 0.67145337765290 0.97422648363662 204.383 > 7 15 Tl 0.04626562139461 0.22166961596111 0.18480396529269 204.383 > 8 16 Tl 0.54626562139461 0.22166961596111 0.18480396529269 204.383 > 8 17 Tl 0.45692048991034 0.32854662234710 0.47422648363662 204.383 > 9 18 Tl 0.95692048991034 0.32854662234710 0.47422648363662 204.383 > 9 19 Tl 0.45373437860539 0.77833038403889 0.81519603470732 204.383 > 10 20 Tl 0.95373437860539 0.77833038403889 0.81519603470732 204.383 > 10 21 Tl 0.04307951008966 0.82854662234710 0.02577351636338 204.383 > 11 22 Tl 0.54307951008966 0.82854662234710 0.02577351636338 204.383 > 11 23 Tl 0.20373437860539 0.72166961596111 0.18480396529269 204.383 > 12 24 Tl 0.70373437860539 0.72166961596111 0.18480396529269 204.383 > 12 25 Tl 0.29626562139461 0.22166961596111 0.31519603470731 204.383 > 13 26 Tl 0.79626562139461 0.22166961596111 0.31519603470731 204.383 > 13 *27 Tl 0.22800980004391 0.93092147655407 0.30676825511973 204.383 > 14 28 Tl 0.72800980004391 0.93092147655407 0.30676825511973 204.383 > 14 29 Tl 0.47800980004391 0.93092147655407 0.19323174488027 204.383 > 15 30 Tl 0.97800980004391 0.93092147655407 0.19323174488027 204.383 > 15 31 Tl 0.29626562139461 0.27833038403889 0.81519603470732 204.383 > 16 32 Tl 0.79626562139461 0.27833038403889 0.81519603470732 204.383 > 16 33 Tl 0.27199019995609 0.43092147655407 0.19323174488027 204.383 > 17 34 Tl 0.77199019995609 0.43092147655407 0.19323174488027 204.383 > 17 35 Tl 0.27199019995609 0.06907852344592 0.69323174488027 204.383 > 18 36 Tl 0.77199019995609 0.06907852344592 0.69323174488027 204.383 > 18 37 Tl 0.22800980004391 0.56907852344593 0.80676825511973 204.383 > 19 38 Tl 0.72800980004391 0.56907852344593 0.80676825511973 204.383 > 19 39 Tl 0.20692048991034 0.17145337765290 0.52577351636338 204.383 > 20 40 Tl 0.70692048991034 0.17145337765290 0.52577351636338 204.383 > 20 41 Tl 0.45692048991034 0.17145337765290 0.97422648363662 204.383 > 21 42 Tl 0.95692048991034 0.17145337765290 0.97422648363662 204.383 > 21 43 Tl 0.02199019995609 0.06907852344592 0.80676825511973 204.383 > 22 44 Tl 0.52199019995609 0.06907852344592 0.80676825511973 204.383 > 22 45 Tl 0.02199019995609 0.43092147655407 0.30676825511973 204.383 > 23 46 Tl 0.52199019995609 0.43092147655407 0.30676825511973 204.383 > 23 47 Tl 0.47800980004391 0.56907852344593 0.69323174488027 204.383 > 24 48 Tl 0.97800980004391 0.56907852344593 0.69323174488027 204.383 > 24 *49 As 0.47779820506716 0.55123497410157 0.08354851874929 74.922 > 25 50 As 0.97779820506716 0.55123497410157 0.08354851874929 74.922 > 25 51 As 0.27220179493284 0.05123497410157 0.08354851874929 74.922 > 26 52 As 0.77220179493284 0.05123497410157 0.08354851874929 74.922 > 26 53 As 0.02220179493284 0.05123497410157 0.41645148125071 74.922 > 27 54 As 0.52220179493284 0.05123497410157 0.41645148125071 74.922 > 27 55 As 0.27220179493284 0.44876502589843 0.58354851874929 74.922 > 28 56 As 0.77220179493284 0.44876502589843 0.58354851874929 74.922 > 28 57 As 0.02220179493284 0.44876502589843 0.91645148125071 74.922 > 29 58 As 0.52220179493284 0.44876502589843 0.91645148125071 74.922 > 29 59 As 0.22779820506716 0.94876502589843 0.91645148125071 74.922 > 30 60 As 0.72779820506716 0.94876502589843 0.91645148125071 74.922 > 30 61 As 0.22779820506716 0.55123497410157 0.41645148125071 74.922 > 31 62 As 0.72779820506716 0.55123497410157 0.41645148125071 74.922 > 31 63 As 0.47779820506716 0.94876502589843 0.58354851874929 74.922 > 32 64 As 0.97779820506716 0.94876502589843 0.58354851874929 74.922 > 32 *65 S 0.05624283050544 0.39043493449483 0.81725026754260 32.065 > 33 66 S 0.55624283050544 0.39043493449483 0.81725026754260 32.065 > 33 67 S 0.05624283050544 0.10956506550517 0.31725026754260 32.065 > 34 68 S 0.55624283050544 0.10956506550517 0.31725026754260 32.065 > 34 69 S 0.30624283050544 0.39043493449483 0.68274973245740 32.065 > 35 70 S 0.80624283050544 0.39043493449483 0.68274973245740 32.065 > 35 *71 S 0.42976097345128 0.55424832883068 0.41707400190250 32.065 > 36 72 S 0.92976097345128 0.55424832883068 0.41707400190250 32.065 > 36 73 S 0.19375716949456 0.89043493449483 0.81725026754260 32.065 > 37 74 S 0.69375716949456 0.89043493449483 0.81725026754260 32.065 > 37 *75 S 0.30928364195324 0.63005916791001 0.59053966474331 32.065 > 38 76 S 0.80928364195324 0.63005916791001 0.59053966474331 32.065 > 38 77 S 0.19071635804676 0.13005916791001 0.90946033525669 32.065 > 39 78 S 0.69071635804676 0.13005916791001 0.90946033525669 32.065 > 39 79 S 0.30624283050544 0.10956506550517 0.18274973245740 32.065 > 40 80 S 0.80624283050544 0.10956506550517 0.18274973245740 32.065 > 40 81 S 0.05928364195324 0.86994083208999 0.40946033525669 32.065 > 41 82 S 0.55928364195324 0.86994083208999 0.40946033525669 32.065 > 41 83 S 0.44071635804676 0.13005916791001 0.59053966474331 32.065 > 42 84 S 0.94071635804676 0.13005916791001 0.59053966474331 32.065 > 42 85 S 0.07023902654872 0.05424832883068 0.08292599809750 32.065 > 43 86 S 0.57023902654872 0.05424832883068 0.08292599809750 32.065 > 43 87 S 0.05928364195324 0.63005916791001 0.90946033525669 32.065 > 44 88 S 0.55928364195324 0.63005916791001 0.90946033525669 32.065 > 44 89 S 0.32023902654872 0.44575167116932 0.91707400190250 32.065 > 45 90 S 0.82023902654872 0.44575167116932 0.91707400190250 32.065 > 45 91 S 0.32023902654872 0.05424832883068 0.41707400190250 32.065 > 46 92 S 0.82023902654872 0.05424832883068 0.41707400190250 32.065 > 46 93 S 0.07023902654872 0.44575167116932 0.58292599809750 32.065 > 47 94 S 0.57023902654872 0.44575167116932 0.58292599809750 32.065 > 47 95 S 0.19071635804676 0.36994083208999 0.40946033525669 32.065 > 48 96 S 0.69071635804676 0.36994083208999 0.40946033525669 32.065 > 48 97 S 0.44071635804676 0.36994083208999 0.09053966474331 32.065 > 49 98 S 0.94071635804676 0.36994083208999 0.09053966474331 32.065 > 49 99 S 0.44375716949456 0.60956506550517 0.18274973245740 32.065 > 50 100 S 0.94375716949456 0.60956506550517 0.18274973245740 32.065 > 50 101 S 0.17976097345128 0.55424832883068 0.08292599809750 32.065 > 51 102 S 0.67976097345128 0.55424832883068 0.08292599809750 32.065 > 51 103 S 0.44375716949456 0.89043493449483 0.68274973245740 32.065 > 52 104 S 0.94375716949456 0.89043493449483 0.68274973245740 32.065 > 52 105 S 0.30928364195324 0.86994083208999 0.09053966474331 32.065 > 53 106 S 0.80928364195324 0.86994083208999 0.09053966474331 32.065 > 53 107 S 0.42976097345128 0.94575167116932 0.91707400190250 32.065 > 54 108 S 0.92976097345128 0.94575167116932 0.91707400190250 32.065 > 54 109 S 0.17976097345128 0.94575167116932 0.58292599809750 32.065 > 55 110 S 0.67976097345128 0.94575167116932 0.58292599809750 32.065 > 55 111 S 0.19375716949456 0.60956506550517 0.31725026754260 32.065 > 56 112 S 0.69375716949456 0.60956506550517 0.31725026754260 32.065 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.2278333 0.0000000 0.0000000 0.0000000 10.8515034 0.0000000 0.0000000 0.0000000 10.8804148 -------------------------- Born effective charges -------------------------- 1 Tl 2.2131819 -0.2253457 -0.3082595 -0.2260510 2.1139717 0.2263724 -0.3455216 0.0725428 1.9415496 2 Tl 2.2131819 0.2253457 0.3082595 0.2260510 2.1139717 0.2263724 0.3455216 0.0725428 1.9415496 3 Tl 2.4470685 -0.1141252 -0.1884400 -0.1530078 2.1303554 -0.2701750 -0.0243686 -0.3186476 2.1626676 4 Tl 2.4470685 0.1141252 0.1884400 0.1530078 2.1303554 -0.2701750 0.0243686 -0.3186476 2.1626676 5 Tl 2.4470685 0.1141252 -0.1884400 0.1530078 2.1303554 0.2701750 -0.0243686 0.3186476 2.1626676 6 Tl 2.2131819 0.2253457 0.3082595 0.2260510 2.1139717 0.2263724 0.3455216 0.0725428 1.9415496 7 Tl 2.4470685 0.1141252 -0.1884400 0.1530078 2.1303554 0.2701750 -0.0243686 0.3186476 2.1626676 8 Tl 2.2131819 -0.2253457 0.3082595 -0.2260510 2.1139717 -0.2263724 0.3455216 -0.0725428 1.9415496 9 Tl 2.4470685 0.1141252 0.1884400 0.1530078 2.1303554 -0.2701750 0.0243686 -0.3186476 2.1626676 10 Tl 2.2131819 -0.2253457 0.3082595 -0.2260510 2.1139717 -0.2263724 0.3455216 -0.0725428 1.9415496 11 Tl 2.4470685 -0.1141252 0.1884400 -0.1530078 2.1303554 0.2701750 0.0243686 0.3186476 2.1626676 12 Tl 2.2131819 0.2253457 -0.3082595 0.2260510 2.1139717 -0.2263724 -0.3455216 -0.0725428 1.9415496 13 Tl 2.2131819 -0.2253457 -0.3082595 -0.2260510 2.1139717 0.2263724 -0.3455216 0.0725428 1.9415496 14 Tl 1.7502150 0.0333931 -0.1847943 -0.1494674 1.8973792 0.3165920 -0.2588810 0.1861057 2.2372683 15 Tl 1.7502150 0.0333931 0.1847943 -0.1494674 1.8973792 -0.3165920 0.2588810 -0.1861057 2.2372683 16 Tl 2.2131819 0.2253457 -0.3082595 0.2260510 2.1139717 -0.2263724 -0.3455216 -0.0725428 1.9415496 17 Tl 1.7502150 -0.0333931 -0.1847943 0.1494674 1.8973792 -0.3165920 -0.2588810 -0.1861057 2.2372683 18 Tl 1.7502150 0.0333931 -0.1847943 -0.1494674 1.8973792 0.3165920 -0.2588810 0.1861057 2.2372683 19 Tl 1.7502150 -0.0333931 -0.1847943 0.1494674 1.8973792 -0.3165920 -0.2588810 -0.1861057 2.2372683 20 Tl 2.4470685 -0.1141252 -0.1884400 -0.1530078 2.1303554 -0.2701750 -0.0243686 -0.3186476 2.1626676 21 Tl 2.4470685 -0.1141252 0.1884400 -0.1530078 2.1303554 0.2701750 0.0243686 0.3186476 2.1626676 22 Tl 1.7502150 0.0333931 0.1847943 -0.1494674 1.8973792 -0.3165920 0.2588810 -0.1861057 2.2372683 23 Tl 1.7502150 -0.0333931 0.1847943 0.1494674 1.8973792 0.3165920 0.2588810 0.1861057 2.2372683 24 Tl 1.7502150 -0.0333931 0.1847943 0.1494674 1.8973792 0.3165920 0.2588810 0.1861057 2.2372683 25 As 2.7927054 0.7422355 -1.3003145 0.7610315 2.0756792 0.6418025 -0.9851498 1.0369485 0.9166575 26 As 2.7927054 -0.7422355 1.3003145 -0.7610315 2.0756792 0.6418025 0.9851498 1.0369485 0.9166575 27 As 2.7927054 -0.7422355 -1.3003145 -0.7610315 2.0756792 -0.6418025 -0.9851498 -1.0369485 0.9166575 28 As 2.7927054 0.7422355 1.3003145 0.7610315 2.0756792 -0.6418025 0.9851498 -1.0369485 0.9166575 29 As 2.7927054 0.7422355 -1.3003145 0.7610315 2.0756792 0.6418025 -0.9851498 1.0369485 0.9166575 30 As 2.7927054 -0.7422355 1.3003145 -0.7610315 2.0756792 0.6418025 0.9851498 1.0369485 0.9166575 31 As 2.7927054 0.7422355 1.3003145 0.7610315 2.0756792 -0.6418025 0.9851498 -1.0369485 0.9166575 32 As 2.7927054 -0.7422355 -1.3003145 -0.7610315 2.0756792 -0.6418025 -0.9851498 -1.0369485 0.9166575 33 S -3.0113311 -0.1740362 0.7227077 -0.3299975 -2.3389390 -0.6679632 0.4471623 -0.1682599 -2.4944664 34 S -3.0113311 0.1740362 0.7227077 0.3299975 -2.3389390 0.6679632 0.4471623 0.1682599 -2.4944664 35 S -3.0113311 -0.1740362 -0.7227077 -0.3299975 -2.3389390 0.6679632 -0.4471623 0.1682599 -2.4944664 36 S -3.5023837 0.2245366 0.1093494 -0.1489707 -2.6134173 0.1966737 -0.2402569 0.3263970 -2.6834649 37 S -3.0113311 0.1740362 -0.7227077 0.3299975 -2.3389390 -0.6679632 -0.4471623 -0.1682599 -2.4944664 38 S -2.6894560 -0.2960881 -0.3484961 0.0824747 -3.2650292 -0.4478651 -0.1090981 0.4044707 -2.0802118 39 S -2.6894560 0.2960881 -0.3484961 -0.0824747 -3.2650292 0.4478651 -0.1090981 -0.4044707 -2.0802118 40 S -3.0113311 0.1740362 -0.7227077 0.3299975 -2.3389390 -0.6679632 -0.4471623 -0.1682599 -2.4944664 41 S -2.6894560 0.2960881 0.3484961 -0.0824747 -3.2650292 -0.4478651 0.1090981 0.4044707 -2.0802118 42 S -2.6894560 0.2960881 0.3484961 -0.0824747 -3.2650292 -0.4478651 0.1090981 0.4044707 -2.0802118 43 S -3.5023837 -0.2245366 0.1093494 0.1489707 -2.6134173 -0.1966737 -0.2402569 -0.3263970 -2.6834649 44 S -2.6894560 -0.2960881 0.3484961 0.0824747 -3.2650292 0.4478651 0.1090981 -0.4044707 -2.0802118 45 S -3.5023837 0.2245366 -0.1093494 -0.1489707 -2.6134173 -0.1966737 0.2402569 -0.3263970 -2.6834649 46 S -3.5023837 -0.2245366 -0.1093494 0.1489707 -2.6134173 0.1966737 0.2402569 0.3263970 -2.6834649 47 S -3.5023837 0.2245366 0.1093494 -0.1489707 -2.6134173 0.1966737 -0.2402569 0.3263970 -2.6834649 48 S -2.6894560 -0.2960881 -0.3484961 0.0824747 -3.2650292 -0.4478651 -0.1090981 0.4044707 -2.0802118 49 S -2.6894560 -0.2960881 0.3484961 0.0824747 -3.2650292 0.4478651 0.1090981 -0.4044707 -2.0802118 50 S -3.0113311 -0.1740362 0.7227077 -0.3299975 -2.3389390 -0.6679632 0.4471623 -0.1682599 -2.4944664 51 S -3.5023837 0.2245366 -0.1093494 -0.1489707 -2.6134173 -0.1966737 0.2402569 -0.3263970 -2.6834649 52 S -3.0113311 0.1740362 0.7227077 0.3299975 -2.3389390 0.6679632 0.4471623 0.1682599 -2.4944664 53 S -2.6894560 0.2960881 -0.3484961 -0.0824747 -3.2650292 0.4478651 -0.1090981 -0.4044707 -2.0802118 54 S -3.5023837 -0.2245366 0.1093494 0.1489707 -2.6134173 -0.1966737 -0.2402569 -0.3263970 -2.6834649 55 S -3.5023837 -0.2245366 -0.1093494 0.1489707 -2.6134173 0.1966737 0.2402569 0.3263970 -2.6834649 56 S -3.0113311 -0.1740362 -0.7227077 -0.3299975 -2.3389390 0.6679632 -0.4471623 0.1682599 -2.4944664 ---------------------------------------------------------------------------- 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: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3591), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 880 - Time: 2.197 Solver_block: 200 / 880 - Time: 2.002 Solver_block: 300 / 880 - Time: 1.956 Solver_block: 400 / 880 - Time: 1.944 Solver_block: 500 / 880 - Time: 2.061 Solver_block: 600 / 880 - Time: 1.949 Solver_block: 700 / 880 - Time: 2.005 Solver_block: 800 / 880 - Time: 2.679 Solver_block: 880 / 880 - Time: 1.647 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.993 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3591), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 15:00:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:00:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.625962040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.153197700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.298643760000004 Atomic positions (fractional): 1 Tl 0.40746875721078 0.77833038403889 0.68480396529268 204.383 2 Tl 0.90746875721078 0.72166961596111 0.31519603470731 204.383 3 Tl 0.58615902017932 0.82854662234710 0.47422648363662 204.383 4 Tl 0.08615902017932 0.67145337765290 0.52577351636338 204.383 5 Tl 0.41384097982068 0.32854662234710 0.02577351636338 204.383 6 Tl 0.09253124278922 0.27833038403889 0.68480396529268 204.383 7 Tl 0.58615902017932 0.67145337765290 0.97422648363662 204.383 8 Tl 0.09253124278922 0.22166961596111 0.18480396529269 204.383 9 Tl 0.91384097982068 0.32854662234710 0.47422648363662 204.383 10 Tl 0.90746875721078 0.77833038403889 0.81519603470732 204.383 11 Tl 0.08615902017932 0.82854662234710 0.02577351636338 204.383 12 Tl 0.40746875721078 0.72166961596111 0.18480396529269 204.383 13 Tl 0.59253124278922 0.22166961596111 0.31519603470731 204.383 14 Tl 0.45601960008781 0.93092147655407 0.30676825511973 204.383 15 Tl 0.95601960008781 0.93092147655407 0.19323174488027 204.383 16 Tl 0.59253124278922 0.27833038403889 0.81519603470732 204.383 17 Tl 0.54398039991219 0.43092147655407 0.19323174488027 204.383 18 Tl 0.54398039991219 0.06907852344592 0.69323174488027 204.383 19 Tl 0.45601960008781 0.56907852344593 0.80676825511973 204.383 20 Tl 0.41384097982068 0.17145337765290 0.52577351636338 204.383 21 Tl 0.91384097982068 0.17145337765290 0.97422648363662 204.383 22 Tl 0.04398039991219 0.06907852344592 0.80676825511973 204.383 23 Tl 0.04398039991219 0.43092147655407 0.30676825511973 204.383 24 Tl 0.95601960008781 0.56907852344593 0.69323174488027 204.383 25 As 0.95559641013432 0.55123497410157 0.08354851874929 74.922 26 As 0.54440358986568 0.05123497410157 0.08354851874929 74.922 27 As 0.04440358986568 0.05123497410157 0.41645148125071 74.922 28 As 0.54440358986568 0.44876502589843 0.58354851874929 74.922 29 As 0.04440358986568 0.44876502589843 0.91645148125071 74.922 30 As 0.45559641013432 0.94876502589843 0.91645148125071 74.922 31 As 0.45559641013432 0.55123497410157 0.41645148125071 74.922 32 As 0.95559641013432 0.94876502589843 0.58354851874929 74.922 33 S 0.11248566101087 0.39043493449483 0.81725026754260 32.065 34 S 0.11248566101087 0.10956506550517 0.31725026754260 32.065 35 S 0.61248566101087 0.39043493449483 0.68274973245740 32.065 36 S 0.85952194690256 0.55424832883068 0.41707400190250 32.065 37 S 0.38751433898913 0.89043493449483 0.81725026754260 32.065 38 S 0.61856728390647 0.63005916791001 0.59053966474331 32.065 39 S 0.38143271609353 0.13005916791001 0.90946033525669 32.065 40 S 0.61248566101087 0.10956506550517 0.18274973245740 32.065 41 S 0.11856728390647 0.86994083208999 0.40946033525669 32.065 42 S 0.88143271609353 0.13005916791001 0.59053966474331 32.065 43 S 0.14047805309744 0.05424832883068 0.08292599809750 32.065 44 S 0.11856728390647 0.63005916791001 0.90946033525669 32.065 45 S 0.64047805309744 0.44575167116932 0.91707400190250 32.065 46 S 0.64047805309744 0.05424832883068 0.41707400190250 32.065 47 S 0.14047805309744 0.44575167116932 0.58292599809750 32.065 48 S 0.38143271609353 0.36994083208999 0.40946033525669 32.065 49 S 0.88143271609353 0.36994083208999 0.09053966474331 32.065 50 S 0.88751433898913 0.60956506550517 0.18274973245740 32.065 51 S 0.35952194690256 0.55424832883068 0.08292599809750 32.065 52 S 0.88751433898913 0.89043493449483 0.68274973245740 32.065 53 S 0.61856728390647 0.86994083208999 0.09053966474331 32.065 54 S 0.85952194690256 0.94575167116932 0.91707400190250 32.065 55 S 0.35952194690256 0.94575167116932 0.58292599809750 32.065 56 S 0.38751433898913 0.60956506550517 0.31725026754260 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.251924080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.153197700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.298643760000004 Atomic positions (fractional): 1 Tl 0.20373437860539 0.77833038403889 0.68480396529268 204.383 > 1 2 Tl 0.70373437860539 0.77833038403889 0.68480396529268 204.383 > 1 3 Tl 0.45373437860539 0.72166961596111 0.31519603470731 204.383 > 3 4 Tl 0.95373437860539 0.72166961596111 0.31519603470731 204.383 > 3 5 Tl 0.29307951008966 0.82854662234710 0.47422648363662 204.383 > 5 6 Tl 0.79307951008966 0.82854662234710 0.47422648363662 204.383 > 5 7 Tl 0.04307951008966 0.67145337765290 0.52577351636338 204.383 > 7 8 Tl 0.54307951008966 0.67145337765290 0.52577351636338 204.383 > 7 9 Tl 0.20692048991034 0.32854662234710 0.02577351636338 204.383 > 9 10 Tl 0.70692048991034 0.32854662234710 0.02577351636338 204.383 > 9 11 Tl 0.04626562139461 0.27833038403889 0.68480396529268 204.383 > 11 12 Tl 0.54626562139461 0.27833038403889 0.68480396529268 204.383 > 11 13 Tl 0.29307951008966 0.67145337765290 0.97422648363662 204.383 > 13 14 Tl 0.79307951008966 0.67145337765290 0.97422648363662 204.383 > 13 15 Tl 0.04626562139461 0.22166961596111 0.18480396529269 204.383 > 15 16 Tl 0.54626562139461 0.22166961596111 0.18480396529269 204.383 > 15 17 Tl 0.45692048991034 0.32854662234710 0.47422648363662 204.383 > 17 18 Tl 0.95692048991034 0.32854662234710 0.47422648363662 204.383 > 17 19 Tl 0.45373437860539 0.77833038403889 0.81519603470732 204.383 > 19 20 Tl 0.95373437860539 0.77833038403889 0.81519603470732 204.383 > 19 21 Tl 0.04307951008966 0.82854662234710 0.02577351636338 204.383 > 21 22 Tl 0.54307951008966 0.82854662234710 0.02577351636338 204.383 > 21 23 Tl 0.20373437860539 0.72166961596111 0.18480396529269 204.383 > 23 24 Tl 0.70373437860539 0.72166961596111 0.18480396529269 204.383 > 23 25 Tl 0.29626562139461 0.22166961596111 0.31519603470731 204.383 > 25 26 Tl 0.79626562139461 0.22166961596111 0.31519603470731 204.383 > 25 27 Tl 0.22800980004391 0.93092147655407 0.30676825511973 204.383 > 27 28 Tl 0.72800980004391 0.93092147655407 0.30676825511973 204.383 > 27 29 Tl 0.47800980004391 0.93092147655407 0.19323174488027 204.383 > 29 30 Tl 0.97800980004391 0.93092147655407 0.19323174488027 204.383 > 29 31 Tl 0.29626562139461 0.27833038403889 0.81519603470732 204.383 > 31 32 Tl 0.79626562139461 0.27833038403889 0.81519603470732 204.383 > 31 33 Tl 0.27199019995609 0.43092147655407 0.19323174488027 204.383 > 33 34 Tl 0.77199019995609 0.43092147655407 0.19323174488027 204.383 > 33 35 Tl 0.27199019995609 0.06907852344592 0.69323174488027 204.383 > 35 36 Tl 0.77199019995609 0.06907852344592 0.69323174488027 204.383 > 35 37 Tl 0.22800980004391 0.56907852344593 0.80676825511973 204.383 > 37 38 Tl 0.72800980004391 0.56907852344593 0.80676825511973 204.383 > 37 39 Tl 0.20692048991034 0.17145337765290 0.52577351636338 204.383 > 39 40 Tl 0.70692048991034 0.17145337765290 0.52577351636338 204.383 > 39 41 Tl 0.45692048991034 0.17145337765290 0.97422648363662 204.383 > 41 42 Tl 0.95692048991034 0.17145337765290 0.97422648363662 204.383 > 41 43 Tl 0.02199019995609 0.06907852344592 0.80676825511973 204.383 > 43 44 Tl 0.52199019995609 0.06907852344592 0.80676825511973 204.383 > 43 45 Tl 0.02199019995609 0.43092147655407 0.30676825511973 204.383 > 45 46 Tl 0.52199019995609 0.43092147655407 0.30676825511973 204.383 > 45 47 Tl 0.47800980004391 0.56907852344593 0.69323174488027 204.383 > 47 48 Tl 0.97800980004391 0.56907852344593 0.69323174488027 204.383 > 47 49 As 0.47779820506716 0.55123497410157 0.08354851874929 74.922 > 49 50 As 0.97779820506716 0.55123497410157 0.08354851874929 74.922 > 49 51 As 0.27220179493284 0.05123497410157 0.08354851874929 74.922 > 51 52 As 0.77220179493284 0.05123497410157 0.08354851874929 74.922 > 51 53 As 0.02220179493284 0.05123497410157 0.41645148125071 74.922 > 53 54 As 0.52220179493284 0.05123497410157 0.41645148125071 74.922 > 53 55 As 0.27220179493284 0.44876502589843 0.58354851874929 74.922 > 55 56 As 0.77220179493284 0.44876502589843 0.58354851874929 74.922 > 55 57 As 0.02220179493284 0.44876502589843 0.91645148125071 74.922 > 57 58 As 0.52220179493284 0.44876502589843 0.91645148125071 74.922 > 57 59 As 0.22779820506716 0.94876502589843 0.91645148125071 74.922 > 59 60 As 0.72779820506716 0.94876502589843 0.91645148125071 74.922 > 59 61 As 0.22779820506716 0.55123497410157 0.41645148125071 74.922 > 61 62 As 0.72779820506716 0.55123497410157 0.41645148125071 74.922 > 61 63 As 0.47779820506716 0.94876502589843 0.58354851874929 74.922 > 63 64 As 0.97779820506716 0.94876502589843 0.58354851874929 74.922 > 63 65 S 0.05624283050544 0.39043493449483 0.81725026754260 32.065 > 65 66 S 0.55624283050544 0.39043493449483 0.81725026754260 32.065 > 65 67 S 0.05624283050544 0.10956506550517 0.31725026754260 32.065 > 67 68 S 0.55624283050544 0.10956506550517 0.31725026754260 32.065 > 67 69 S 0.30624283050544 0.39043493449483 0.68274973245740 32.065 > 69 70 S 0.80624283050544 0.39043493449483 0.68274973245740 32.065 > 69 71 S 0.42976097345128 0.55424832883068 0.41707400190250 32.065 > 71 72 S 0.92976097345128 0.55424832883068 0.41707400190250 32.065 > 71 73 S 0.19375716949456 0.89043493449483 0.81725026754260 32.065 > 73 74 S 0.69375716949456 0.89043493449483 0.81725026754260 32.065 > 73 75 S 0.30928364195324 0.63005916791001 0.59053966474331 32.065 > 75 76 S 0.80928364195324 0.63005916791001 0.59053966474331 32.065 > 75 77 S 0.19071635804676 0.13005916791001 0.90946033525669 32.065 > 77 78 S 0.69071635804676 0.13005916791001 0.90946033525669 32.065 > 77 79 S 0.30624283050544 0.10956506550517 0.18274973245740 32.065 > 79 80 S 0.80624283050544 0.10956506550517 0.18274973245740 32.065 > 79 81 S 0.05928364195324 0.86994083208999 0.40946033525669 32.065 > 81 82 S 0.55928364195324 0.86994083208999 0.40946033525669 32.065 > 81 83 S 0.44071635804676 0.13005916791001 0.59053966474331 32.065 > 83 84 S 0.94071635804676 0.13005916791001 0.59053966474331 32.065 > 83 85 S 0.07023902654872 0.05424832883068 0.08292599809750 32.065 > 85 86 S 0.57023902654872 0.05424832883068 0.08292599809750 32.065 > 85 87 S 0.05928364195324 0.63005916791001 0.90946033525669 32.065 > 87 88 S 0.55928364195324 0.63005916791001 0.90946033525669 32.065 > 87 89 S 0.32023902654872 0.44575167116932 0.91707400190250 32.065 > 89 90 S 0.82023902654872 0.44575167116932 0.91707400190250 32.065 > 89 91 S 0.32023902654872 0.05424832883068 0.41707400190250 32.065 > 91 92 S 0.82023902654872 0.05424832883068 0.41707400190250 32.065 > 91 93 S 0.07023902654872 0.44575167116932 0.58292599809750 32.065 > 93 94 S 0.57023902654872 0.44575167116932 0.58292599809750 32.065 > 93 95 S 0.19071635804676 0.36994083208999 0.40946033525669 32.065 > 95 96 S 0.69071635804676 0.36994083208999 0.40946033525669 32.065 > 95 97 S 0.44071635804676 0.36994083208999 0.09053966474331 32.065 > 97 98 S 0.94071635804676 0.36994083208999 0.09053966474331 32.065 > 97 99 S 0.44375716949456 0.60956506550517 0.18274973245740 32.065 > 99 100 S 0.94375716949456 0.60956506550517 0.18274973245740 32.065 > 99 101 S 0.17976097345128 0.55424832883068 0.08292599809750 32.065 > 101 102 S 0.67976097345128 0.55424832883068 0.08292599809750 32.065 > 101 103 S 0.44375716949456 0.89043493449483 0.68274973245740 32.065 > 103 104 S 0.94375716949456 0.89043493449483 0.68274973245740 32.065 > 103 105 S 0.30928364195324 0.86994083208999 0.09053966474331 32.065 > 105 106 S 0.80928364195324 0.86994083208999 0.09053966474331 32.065 > 105 107 S 0.42976097345128 0.94575167116932 0.91707400190250 32.065 > 107 108 S 0.92976097345128 0.94575167116932 0.91707400190250 32.065 > 107 109 S 0.17976097345128 0.94575167116932 0.58292599809750 32.065 > 109 110 S 0.67976097345128 0.94575167116932 0.58292599809750 32.065 > 109 111 S 0.19375716949456 0.60956506550517 0.31725026754260 32.065 > 111 112 S 0.69375716949456 0.60956506550517 0.31725026754260 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.2278333 0.0000000 0.0000000 0.0000000 10.8515034 0.0000000 0.0000000 0.0000000 10.8804148 -------------------------- Born effective charges -------------------------- 1 Tl 2.2131819 -0.2253457 -0.3082595 -0.2260510 2.1139717 0.2263724 -0.3455216 0.0725428 1.9415496 2 Tl 2.2131819 0.2253457 0.3082595 0.2260510 2.1139717 0.2263724 0.3455216 0.0725428 1.9415496 3 Tl 2.4470685 -0.1141252 -0.1884400 -0.1530078 2.1303554 -0.2701750 -0.0243686 -0.3186476 2.1626676 4 Tl 2.4470685 0.1141252 0.1884400 0.1530078 2.1303554 -0.2701750 0.0243686 -0.3186476 2.1626676 5 Tl 2.4470685 0.1141252 -0.1884400 0.1530078 2.1303554 0.2701750 -0.0243686 0.3186476 2.1626676 6 Tl 2.2131819 0.2253457 0.3082595 0.2260510 2.1139717 0.2263724 0.3455216 0.0725428 1.9415496 7 Tl 2.4470685 0.1141252 -0.1884400 0.1530078 2.1303554 0.2701750 -0.0243686 0.3186476 2.1626676 8 Tl 2.2131819 -0.2253457 0.3082595 -0.2260510 2.1139717 -0.2263724 0.3455216 -0.0725428 1.9415496 9 Tl 2.4470685 0.1141252 0.1884400 0.1530078 2.1303554 -0.2701750 0.0243686 -0.3186476 2.1626676 10 Tl 2.2131819 -0.2253457 0.3082595 -0.2260510 2.1139717 -0.2263724 0.3455216 -0.0725428 1.9415496 11 Tl 2.4470685 -0.1141252 0.1884400 -0.1530078 2.1303554 0.2701750 0.0243686 0.3186476 2.1626676 12 Tl 2.2131819 0.2253457 -0.3082595 0.2260510 2.1139717 -0.2263724 -0.3455216 -0.0725428 1.9415496 13 Tl 2.2131819 -0.2253457 -0.3082595 -0.2260510 2.1139717 0.2263724 -0.3455216 0.0725428 1.9415496 14 Tl 1.7502150 0.0333931 -0.1847943 -0.1494674 1.8973792 0.3165920 -0.2588810 0.1861057 2.2372683 15 Tl 1.7502150 0.0333931 0.1847943 -0.1494674 1.8973792 -0.3165920 0.2588810 -0.1861057 2.2372683 16 Tl 2.2131819 0.2253457 -0.3082595 0.2260510 2.1139717 -0.2263724 -0.3455216 -0.0725428 1.9415496 17 Tl 1.7502150 -0.0333931 -0.1847943 0.1494674 1.8973792 -0.3165920 -0.2588810 -0.1861057 2.2372683 18 Tl 1.7502150 0.0333931 -0.1847943 -0.1494674 1.8973792 0.3165920 -0.2588810 0.1861057 2.2372683 19 Tl 1.7502150 -0.0333931 -0.1847943 0.1494674 1.8973792 -0.3165920 -0.2588810 -0.1861057 2.2372683 20 Tl 2.4470685 -0.1141252 -0.1884400 -0.1530078 2.1303554 -0.2701750 -0.0243686 -0.3186476 2.1626676 21 Tl 2.4470685 -0.1141252 0.1884400 -0.1530078 2.1303554 0.2701750 0.0243686 0.3186476 2.1626676 22 Tl 1.7502150 0.0333931 0.1847943 -0.1494674 1.8973792 -0.3165920 0.2588810 -0.1861057 2.2372683 23 Tl 1.7502150 -0.0333931 0.1847943 0.1494674 1.8973792 0.3165920 0.2588810 0.1861057 2.2372683 24 Tl 1.7502150 -0.0333931 0.1847943 0.1494674 1.8973792 0.3165920 0.2588810 0.1861057 2.2372683 25 As 2.7927054 0.7422355 -1.3003145 0.7610315 2.0756792 0.6418025 -0.9851498 1.0369485 0.9166575 26 As 2.7927054 -0.7422355 1.3003145 -0.7610315 2.0756792 0.6418025 0.9851498 1.0369485 0.9166575 27 As 2.7927054 -0.7422355 -1.3003145 -0.7610315 2.0756792 -0.6418025 -0.9851498 -1.0369485 0.9166575 28 As 2.7927054 0.7422355 1.3003145 0.7610315 2.0756792 -0.6418025 0.9851498 -1.0369485 0.9166575 29 As 2.7927054 0.7422355 -1.3003145 0.7610315 2.0756792 0.6418025 -0.9851498 1.0369485 0.9166575 30 As 2.7927054 -0.7422355 1.3003145 -0.7610315 2.0756792 0.6418025 0.9851498 1.0369485 0.9166575 31 As 2.7927054 0.7422355 1.3003145 0.7610315 2.0756792 -0.6418025 0.9851498 -1.0369485 0.9166575 32 As 2.7927054 -0.7422355 -1.3003145 -0.7610315 2.0756792 -0.6418025 -0.9851498 -1.0369485 0.9166575 33 S -3.0113311 -0.1740362 0.7227077 -0.3299975 -2.3389390 -0.6679632 0.4471623 -0.1682599 -2.4944664 34 S -3.0113311 0.1740362 0.7227077 0.3299975 -2.3389390 0.6679632 0.4471623 0.1682599 -2.4944664 35 S -3.0113311 -0.1740362 -0.7227077 -0.3299975 -2.3389390 0.6679632 -0.4471623 0.1682599 -2.4944664 36 S -3.5023837 0.2245366 0.1093494 -0.1489707 -2.6134173 0.1966737 -0.2402569 0.3263970 -2.6834649 37 S -3.0113311 0.1740362 -0.7227077 0.3299975 -2.3389390 -0.6679632 -0.4471623 -0.1682599 -2.4944664 38 S -2.6894560 -0.2960881 -0.3484961 0.0824747 -3.2650292 -0.4478651 -0.1090981 0.4044707 -2.0802118 39 S -2.6894560 0.2960881 -0.3484961 -0.0824747 -3.2650292 0.4478651 -0.1090981 -0.4044707 -2.0802118 40 S -3.0113311 0.1740362 -0.7227077 0.3299975 -2.3389390 -0.6679632 -0.4471623 -0.1682599 -2.4944664 41 S -2.6894560 0.2960881 0.3484961 -0.0824747 -3.2650292 -0.4478651 0.1090981 0.4044707 -2.0802118 42 S -2.6894560 0.2960881 0.3484961 -0.0824747 -3.2650292 -0.4478651 0.1090981 0.4044707 -2.0802118 43 S -3.5023837 -0.2245366 0.1093494 0.1489707 -2.6134173 -0.1966737 -0.2402569 -0.3263970 -2.6834649 44 S -2.6894560 -0.2960881 0.3484961 0.0824747 -3.2650292 0.4478651 0.1090981 -0.4044707 -2.0802118 45 S -3.5023837 0.2245366 -0.1093494 -0.1489707 -2.6134173 -0.1966737 0.2402569 -0.3263970 -2.6834649 46 S -3.5023837 -0.2245366 -0.1093494 0.1489707 -2.6134173 0.1966737 0.2402569 0.3263970 -2.6834649 47 S -3.5023837 0.2245366 0.1093494 -0.1489707 -2.6134173 0.1966737 -0.2402569 0.3263970 -2.6834649 48 S -2.6894560 -0.2960881 -0.3484961 0.0824747 -3.2650292 -0.4478651 -0.1090981 0.4044707 -2.0802118 49 S -2.6894560 -0.2960881 0.3484961 0.0824747 -3.2650292 0.4478651 0.1090981 -0.4044707 -2.0802118 50 S -3.0113311 -0.1740362 0.7227077 -0.3299975 -2.3389390 -0.6679632 0.4471623 -0.1682599 -2.4944664 51 S -3.5023837 0.2245366 -0.1093494 -0.1489707 -2.6134173 -0.1966737 0.2402569 -0.3263970 -2.6834649 52 S -3.0113311 0.1740362 0.7227077 0.3299975 -2.3389390 0.6679632 0.4471623 0.1682599 -2.4944664 53 S -2.6894560 0.2960881 -0.3484961 -0.0824747 -3.2650292 0.4478651 -0.1090981 -0.4044707 -2.0802118 54 S -3.5023837 -0.2245366 0.1093494 0.1489707 -2.6134173 -0.1966737 -0.2402569 -0.3263970 -2.6834649 55 S -3.5023837 -0.2245366 -0.1093494 0.1489707 -2.6134173 0.1966737 0.2402569 0.3263970 -2.6834649 56 S -3.0113311 -0.1740362 -0.7227077 -0.3299975 -2.3389390 0.6679632 -0.4471623 0.1682599 -2.4944664 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 15:00:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:00:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.625962040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.153197700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.298643760000004 Atomic positions (fractional): 1 Tl 0.40746875721078 0.77833038403889 0.68480396529268 204.383 2 Tl 0.90746875721078 0.72166961596111 0.31519603470731 204.383 3 Tl 0.58615902017932 0.82854662234710 0.47422648363662 204.383 4 Tl 0.08615902017932 0.67145337765290 0.52577351636338 204.383 5 Tl 0.41384097982068 0.32854662234710 0.02577351636338 204.383 6 Tl 0.09253124278922 0.27833038403889 0.68480396529268 204.383 7 Tl 0.58615902017932 0.67145337765290 0.97422648363662 204.383 8 Tl 0.09253124278922 0.22166961596111 0.18480396529269 204.383 9 Tl 0.91384097982068 0.32854662234710 0.47422648363662 204.383 10 Tl 0.90746875721078 0.77833038403889 0.81519603470732 204.383 11 Tl 0.08615902017932 0.82854662234710 0.02577351636338 204.383 12 Tl 0.40746875721078 0.72166961596111 0.18480396529269 204.383 13 Tl 0.59253124278922 0.22166961596111 0.31519603470731 204.383 14 Tl 0.45601960008781 0.93092147655407 0.30676825511973 204.383 15 Tl 0.95601960008781 0.93092147655407 0.19323174488027 204.383 16 Tl 0.59253124278922 0.27833038403889 0.81519603470732 204.383 17 Tl 0.54398039991219 0.43092147655407 0.19323174488027 204.383 18 Tl 0.54398039991219 0.06907852344592 0.69323174488027 204.383 19 Tl 0.45601960008781 0.56907852344593 0.80676825511973 204.383 20 Tl 0.41384097982068 0.17145337765290 0.52577351636338 204.383 21 Tl 0.91384097982068 0.17145337765290 0.97422648363662 204.383 22 Tl 0.04398039991219 0.06907852344592 0.80676825511973 204.383 23 Tl 0.04398039991219 0.43092147655407 0.30676825511973 204.383 24 Tl 0.95601960008781 0.56907852344593 0.69323174488027 204.383 25 As 0.95559641013432 0.55123497410157 0.08354851874929 74.922 26 As 0.54440358986568 0.05123497410157 0.08354851874929 74.922 27 As 0.04440358986568 0.05123497410157 0.41645148125071 74.922 28 As 0.54440358986568 0.44876502589843 0.58354851874929 74.922 29 As 0.04440358986568 0.44876502589843 0.91645148125071 74.922 30 As 0.45559641013432 0.94876502589843 0.91645148125071 74.922 31 As 0.45559641013432 0.55123497410157 0.41645148125071 74.922 32 As 0.95559641013432 0.94876502589843 0.58354851874929 74.922 33 S 0.11248566101087 0.39043493449483 0.81725026754260 32.065 34 S 0.11248566101087 0.10956506550517 0.31725026754260 32.065 35 S 0.61248566101087 0.39043493449483 0.68274973245740 32.065 36 S 0.85952194690256 0.55424832883068 0.41707400190250 32.065 37 S 0.38751433898913 0.89043493449483 0.81725026754260 32.065 38 S 0.61856728390647 0.63005916791001 0.59053966474331 32.065 39 S 0.38143271609353 0.13005916791001 0.90946033525669 32.065 40 S 0.61248566101087 0.10956506550517 0.18274973245740 32.065 41 S 0.11856728390647 0.86994083208999 0.40946033525669 32.065 42 S 0.88143271609353 0.13005916791001 0.59053966474331 32.065 43 S 0.14047805309744 0.05424832883068 0.08292599809750 32.065 44 S 0.11856728390647 0.63005916791001 0.90946033525669 32.065 45 S 0.64047805309744 0.44575167116932 0.91707400190250 32.065 46 S 0.64047805309744 0.05424832883068 0.41707400190250 32.065 47 S 0.14047805309744 0.44575167116932 0.58292599809750 32.065 48 S 0.38143271609353 0.36994083208999 0.40946033525669 32.065 49 S 0.88143271609353 0.36994083208999 0.09053966474331 32.065 50 S 0.88751433898913 0.60956506550517 0.18274973245740 32.065 51 S 0.35952194690256 0.55424832883068 0.08292599809750 32.065 52 S 0.88751433898913 0.89043493449483 0.68274973245740 32.065 53 S 0.61856728390647 0.86994083208999 0.09053966474331 32.065 54 S 0.85952194690256 0.94575167116932 0.91707400190250 32.065 55 S 0.35952194690256 0.94575167116932 0.58292599809750 32.065 56 S 0.38751433898913 0.60956506550517 0.31725026754260 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.251924080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.153197700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.298643760000004 Atomic positions (fractional): 1 Tl 0.20373437860539 0.77833038403889 0.68480396529268 204.383 > 1 2 Tl 0.70373437860539 0.77833038403889 0.68480396529268 204.383 > 1 3 Tl 0.45373437860539 0.72166961596111 0.31519603470731 204.383 > 3 4 Tl 0.95373437860539 0.72166961596111 0.31519603470731 204.383 > 3 5 Tl 0.29307951008966 0.82854662234710 0.47422648363662 204.383 > 5 6 Tl 0.79307951008966 0.82854662234710 0.47422648363662 204.383 > 5 7 Tl 0.04307951008966 0.67145337765290 0.52577351636338 204.383 > 7 8 Tl 0.54307951008966 0.67145337765290 0.52577351636338 204.383 > 7 9 Tl 0.20692048991034 0.32854662234710 0.02577351636338 204.383 > 9 10 Tl 0.70692048991034 0.32854662234710 0.02577351636338 204.383 > 9 11 Tl 0.04626562139461 0.27833038403889 0.68480396529268 204.383 > 11 12 Tl 0.54626562139461 0.27833038403889 0.68480396529268 204.383 > 11 13 Tl 0.29307951008966 0.67145337765290 0.97422648363662 204.383 > 13 14 Tl 0.79307951008966 0.67145337765290 0.97422648363662 204.383 > 13 15 Tl 0.04626562139461 0.22166961596111 0.18480396529269 204.383 > 15 16 Tl 0.54626562139461 0.22166961596111 0.18480396529269 204.383 > 15 17 Tl 0.45692048991034 0.32854662234710 0.47422648363662 204.383 > 17 18 Tl 0.95692048991034 0.32854662234710 0.47422648363662 204.383 > 17 19 Tl 0.45373437860539 0.77833038403889 0.81519603470732 204.383 > 19 20 Tl 0.95373437860539 0.77833038403889 0.81519603470732 204.383 > 19 21 Tl 0.04307951008966 0.82854662234710 0.02577351636338 204.383 > 21 22 Tl 0.54307951008966 0.82854662234710 0.02577351636338 204.383 > 21 23 Tl 0.20373437860539 0.72166961596111 0.18480396529269 204.383 > 23 24 Tl 0.70373437860539 0.72166961596111 0.18480396529269 204.383 > 23 25 Tl 0.29626562139461 0.22166961596111 0.31519603470731 204.383 > 25 26 Tl 0.79626562139461 0.22166961596111 0.31519603470731 204.383 > 25 27 Tl 0.22800980004391 0.93092147655407 0.30676825511973 204.383 > 27 28 Tl 0.72800980004391 0.93092147655407 0.30676825511973 204.383 > 27 29 Tl 0.47800980004391 0.93092147655407 0.19323174488027 204.383 > 29 30 Tl 0.97800980004391 0.93092147655407 0.19323174488027 204.383 > 29 31 Tl 0.29626562139461 0.27833038403889 0.81519603470732 204.383 > 31 32 Tl 0.79626562139461 0.27833038403889 0.81519603470732 204.383 > 31 33 Tl 0.27199019995609 0.43092147655407 0.19323174488027 204.383 > 33 34 Tl 0.77199019995609 0.43092147655407 0.19323174488027 204.383 > 33 35 Tl 0.27199019995609 0.06907852344592 0.69323174488027 204.383 > 35 36 Tl 0.77199019995609 0.06907852344592 0.69323174488027 204.383 > 35 37 Tl 0.22800980004391 0.56907852344593 0.80676825511973 204.383 > 37 38 Tl 0.72800980004391 0.56907852344593 0.80676825511973 204.383 > 37 39 Tl 0.20692048991034 0.17145337765290 0.52577351636338 204.383 > 39 40 Tl 0.70692048991034 0.17145337765290 0.52577351636338 204.383 > 39 41 Tl 0.45692048991034 0.17145337765290 0.97422648363662 204.383 > 41 42 Tl 0.95692048991034 0.17145337765290 0.97422648363662 204.383 > 41 43 Tl 0.02199019995609 0.06907852344592 0.80676825511973 204.383 > 43 44 Tl 0.52199019995609 0.06907852344592 0.80676825511973 204.383 > 43 45 Tl 0.02199019995609 0.43092147655407 0.30676825511973 204.383 > 45 46 Tl 0.52199019995609 0.43092147655407 0.30676825511973 204.383 > 45 47 Tl 0.47800980004391 0.56907852344593 0.69323174488027 204.383 > 47 48 Tl 0.97800980004391 0.56907852344593 0.69323174488027 204.383 > 47 49 As 0.47779820506716 0.55123497410157 0.08354851874929 74.922 > 49 50 As 0.97779820506716 0.55123497410157 0.08354851874929 74.922 > 49 51 As 0.27220179493284 0.05123497410157 0.08354851874929 74.922 > 51 52 As 0.77220179493284 0.05123497410157 0.08354851874929 74.922 > 51 53 As 0.02220179493284 0.05123497410157 0.41645148125071 74.922 > 53 54 As 0.52220179493284 0.05123497410157 0.41645148125071 74.922 > 53 55 As 0.27220179493284 0.44876502589843 0.58354851874929 74.922 > 55 56 As 0.77220179493284 0.44876502589843 0.58354851874929 74.922 > 55 57 As 0.02220179493284 0.44876502589843 0.91645148125071 74.922 > 57 58 As 0.52220179493284 0.44876502589843 0.91645148125071 74.922 > 57 59 As 0.22779820506716 0.94876502589843 0.91645148125071 74.922 > 59 60 As 0.72779820506716 0.94876502589843 0.91645148125071 74.922 > 59 61 As 0.22779820506716 0.55123497410157 0.41645148125071 74.922 > 61 62 As 0.72779820506716 0.55123497410157 0.41645148125071 74.922 > 61 63 As 0.47779820506716 0.94876502589843 0.58354851874929 74.922 > 63 64 As 0.97779820506716 0.94876502589843 0.58354851874929 74.922 > 63 65 S 0.05624283050544 0.39043493449483 0.81725026754260 32.065 > 65 66 S 0.55624283050544 0.39043493449483 0.81725026754260 32.065 > 65 67 S 0.05624283050544 0.10956506550517 0.31725026754260 32.065 > 67 68 S 0.55624283050544 0.10956506550517 0.31725026754260 32.065 > 67 69 S 0.30624283050544 0.39043493449483 0.68274973245740 32.065 > 69 70 S 0.80624283050544 0.39043493449483 0.68274973245740 32.065 > 69 71 S 0.42976097345128 0.55424832883068 0.41707400190250 32.065 > 71 72 S 0.92976097345128 0.55424832883068 0.41707400190250 32.065 > 71 73 S 0.19375716949456 0.89043493449483 0.81725026754260 32.065 > 73 74 S 0.69375716949456 0.89043493449483 0.81725026754260 32.065 > 73 75 S 0.30928364195324 0.63005916791001 0.59053966474331 32.065 > 75 76 S 0.80928364195324 0.63005916791001 0.59053966474331 32.065 > 75 77 S 0.19071635804676 0.13005916791001 0.90946033525669 32.065 > 77 78 S 0.69071635804676 0.13005916791001 0.90946033525669 32.065 > 77 79 S 0.30624283050544 0.10956506550517 0.18274973245740 32.065 > 79 80 S 0.80624283050544 0.10956506550517 0.18274973245740 32.065 > 79 81 S 0.05928364195324 0.86994083208999 0.40946033525669 32.065 > 81 82 S 0.55928364195324 0.86994083208999 0.40946033525669 32.065 > 81 83 S 0.44071635804676 0.13005916791001 0.59053966474331 32.065 > 83 84 S 0.94071635804676 0.13005916791001 0.59053966474331 32.065 > 83 85 S 0.07023902654872 0.05424832883068 0.08292599809750 32.065 > 85 86 S 0.57023902654872 0.05424832883068 0.08292599809750 32.065 > 85 87 S 0.05928364195324 0.63005916791001 0.90946033525669 32.065 > 87 88 S 0.55928364195324 0.63005916791001 0.90946033525669 32.065 > 87 89 S 0.32023902654872 0.44575167116932 0.91707400190250 32.065 > 89 90 S 0.82023902654872 0.44575167116932 0.91707400190250 32.065 > 89 91 S 0.32023902654872 0.05424832883068 0.41707400190250 32.065 > 91 92 S 0.82023902654872 0.05424832883068 0.41707400190250 32.065 > 91 93 S 0.07023902654872 0.44575167116932 0.58292599809750 32.065 > 93 94 S 0.57023902654872 0.44575167116932 0.58292599809750 32.065 > 93 95 S 0.19071635804676 0.36994083208999 0.40946033525669 32.065 > 95 96 S 0.69071635804676 0.36994083208999 0.40946033525669 32.065 > 95 97 S 0.44071635804676 0.36994083208999 0.09053966474331 32.065 > 97 98 S 0.94071635804676 0.36994083208999 0.09053966474331 32.065 > 97 99 S 0.44375716949456 0.60956506550517 0.18274973245740 32.065 > 99 100 S 0.94375716949456 0.60956506550517 0.18274973245740 32.065 > 99 101 S 0.17976097345128 0.55424832883068 0.08292599809750 32.065 > 101 102 S 0.67976097345128 0.55424832883068 0.08292599809750 32.065 > 101 103 S 0.44375716949456 0.89043493449483 0.68274973245740 32.065 > 103 104 S 0.94375716949456 0.89043493449483 0.68274973245740 32.065 > 103 105 S 0.30928364195324 0.86994083208999 0.09053966474331 32.065 > 105 106 S 0.80928364195324 0.86994083208999 0.09053966474331 32.065 > 105 107 S 0.42976097345128 0.94575167116932 0.91707400190250 32.065 > 107 108 S 0.92976097345128 0.94575167116932 0.91707400190250 32.065 > 107 109 S 0.17976097345128 0.94575167116932 0.58292599809750 32.065 > 109 110 S 0.67976097345128 0.94575167116932 0.58292599809750 32.065 > 109 111 S 0.19375716949456 0.60956506550517 0.31725026754260 32.065 > 111 112 S 0.69375716949456 0.60956506550517 0.31725026754260 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.2278333 0.0000000 0.0000000 0.0000000 10.8515034 0.0000000 0.0000000 0.0000000 10.8804148 -------------------------- Born effective charges -------------------------- 1 Tl 2.2131819 -0.2253457 -0.3082595 -0.2260510 2.1139717 0.2263724 -0.3455216 0.0725428 1.9415496 2 Tl 2.2131819 0.2253457 0.3082595 0.2260510 2.1139717 0.2263724 0.3455216 0.0725428 1.9415496 3 Tl 2.4470685 -0.1141252 -0.1884400 -0.1530078 2.1303554 -0.2701750 -0.0243686 -0.3186476 2.1626676 4 Tl 2.4470685 0.1141252 0.1884400 0.1530078 2.1303554 -0.2701750 0.0243686 -0.3186476 2.1626676 5 Tl 2.4470685 0.1141252 -0.1884400 0.1530078 2.1303554 0.2701750 -0.0243686 0.3186476 2.1626676 6 Tl 2.2131819 0.2253457 0.3082595 0.2260510 2.1139717 0.2263724 0.3455216 0.0725428 1.9415496 7 Tl 2.4470685 0.1141252 -0.1884400 0.1530078 2.1303554 0.2701750 -0.0243686 0.3186476 2.1626676 8 Tl 2.2131819 -0.2253457 0.3082595 -0.2260510 2.1139717 -0.2263724 0.3455216 -0.0725428 1.9415496 9 Tl 2.4470685 0.1141252 0.1884400 0.1530078 2.1303554 -0.2701750 0.0243686 -0.3186476 2.1626676 10 Tl 2.2131819 -0.2253457 0.3082595 -0.2260510 2.1139717 -0.2263724 0.3455216 -0.0725428 1.9415496 11 Tl 2.4470685 -0.1141252 0.1884400 -0.1530078 2.1303554 0.2701750 0.0243686 0.3186476 2.1626676 12 Tl 2.2131819 0.2253457 -0.3082595 0.2260510 2.1139717 -0.2263724 -0.3455216 -0.0725428 1.9415496 13 Tl 2.2131819 -0.2253457 -0.3082595 -0.2260510 2.1139717 0.2263724 -0.3455216 0.0725428 1.9415496 14 Tl 1.7502150 0.0333931 -0.1847943 -0.1494674 1.8973792 0.3165920 -0.2588810 0.1861057 2.2372683 15 Tl 1.7502150 0.0333931 0.1847943 -0.1494674 1.8973792 -0.3165920 0.2588810 -0.1861057 2.2372683 16 Tl 2.2131819 0.2253457 -0.3082595 0.2260510 2.1139717 -0.2263724 -0.3455216 -0.0725428 1.9415496 17 Tl 1.7502150 -0.0333931 -0.1847943 0.1494674 1.8973792 -0.3165920 -0.2588810 -0.1861057 2.2372683 18 Tl 1.7502150 0.0333931 -0.1847943 -0.1494674 1.8973792 0.3165920 -0.2588810 0.1861057 2.2372683 19 Tl 1.7502150 -0.0333931 -0.1847943 0.1494674 1.8973792 -0.3165920 -0.2588810 -0.1861057 2.2372683 20 Tl 2.4470685 -0.1141252 -0.1884400 -0.1530078 2.1303554 -0.2701750 -0.0243686 -0.3186476 2.1626676 21 Tl 2.4470685 -0.1141252 0.1884400 -0.1530078 2.1303554 0.2701750 0.0243686 0.3186476 2.1626676 22 Tl 1.7502150 0.0333931 0.1847943 -0.1494674 1.8973792 -0.3165920 0.2588810 -0.1861057 2.2372683 23 Tl 1.7502150 -0.0333931 0.1847943 0.1494674 1.8973792 0.3165920 0.2588810 0.1861057 2.2372683 24 Tl 1.7502150 -0.0333931 0.1847943 0.1494674 1.8973792 0.3165920 0.2588810 0.1861057 2.2372683 25 As 2.7927054 0.7422355 -1.3003145 0.7610315 2.0756792 0.6418025 -0.9851498 1.0369485 0.9166575 26 As 2.7927054 -0.7422355 1.3003145 -0.7610315 2.0756792 0.6418025 0.9851498 1.0369485 0.9166575 27 As 2.7927054 -0.7422355 -1.3003145 -0.7610315 2.0756792 -0.6418025 -0.9851498 -1.0369485 0.9166575 28 As 2.7927054 0.7422355 1.3003145 0.7610315 2.0756792 -0.6418025 0.9851498 -1.0369485 0.9166575 29 As 2.7927054 0.7422355 -1.3003145 0.7610315 2.0756792 0.6418025 -0.9851498 1.0369485 0.9166575 30 As 2.7927054 -0.7422355 1.3003145 -0.7610315 2.0756792 0.6418025 0.9851498 1.0369485 0.9166575 31 As 2.7927054 0.7422355 1.3003145 0.7610315 2.0756792 -0.6418025 0.9851498 -1.0369485 0.9166575 32 As 2.7927054 -0.7422355 -1.3003145 -0.7610315 2.0756792 -0.6418025 -0.9851498 -1.0369485 0.9166575 33 S -3.0113311 -0.1740362 0.7227077 -0.3299975 -2.3389390 -0.6679632 0.4471623 -0.1682599 -2.4944664 34 S -3.0113311 0.1740362 0.7227077 0.3299975 -2.3389390 0.6679632 0.4471623 0.1682599 -2.4944664 35 S -3.0113311 -0.1740362 -0.7227077 -0.3299975 -2.3389390 0.6679632 -0.4471623 0.1682599 -2.4944664 36 S -3.5023837 0.2245366 0.1093494 -0.1489707 -2.6134173 0.1966737 -0.2402569 0.3263970 -2.6834649 37 S -3.0113311 0.1740362 -0.7227077 0.3299975 -2.3389390 -0.6679632 -0.4471623 -0.1682599 -2.4944664 38 S -2.6894560 -0.2960881 -0.3484961 0.0824747 -3.2650292 -0.4478651 -0.1090981 0.4044707 -2.0802118 39 S -2.6894560 0.2960881 -0.3484961 -0.0824747 -3.2650292 0.4478651 -0.1090981 -0.4044707 -2.0802118 40 S -3.0113311 0.1740362 -0.7227077 0.3299975 -2.3389390 -0.6679632 -0.4471623 -0.1682599 -2.4944664 41 S -2.6894560 0.2960881 0.3484961 -0.0824747 -3.2650292 -0.4478651 0.1090981 0.4044707 -2.0802118 42 S -2.6894560 0.2960881 0.3484961 -0.0824747 -3.2650292 -0.4478651 0.1090981 0.4044707 -2.0802118 43 S -3.5023837 -0.2245366 0.1093494 0.1489707 -2.6134173 -0.1966737 -0.2402569 -0.3263970 -2.6834649 44 S -2.6894560 -0.2960881 0.3484961 0.0824747 -3.2650292 0.4478651 0.1090981 -0.4044707 -2.0802118 45 S -3.5023837 0.2245366 -0.1093494 -0.1489707 -2.6134173 -0.1966737 0.2402569 -0.3263970 -2.6834649 46 S -3.5023837 -0.2245366 -0.1093494 0.1489707 -2.6134173 0.1966737 0.2402569 0.3263970 -2.6834649 47 S -3.5023837 0.2245366 0.1093494 -0.1489707 -2.6134173 0.1966737 -0.2402569 0.3263970 -2.6834649 48 S -2.6894560 -0.2960881 -0.3484961 0.0824747 -3.2650292 -0.4478651 -0.1090981 0.4044707 -2.0802118 49 S -2.6894560 -0.2960881 0.3484961 0.0824747 -3.2650292 0.4478651 0.1090981 -0.4044707 -2.0802118 50 S -3.0113311 -0.1740362 0.7227077 -0.3299975 -2.3389390 -0.6679632 0.4471623 -0.1682599 -2.4944664 51 S -3.5023837 0.2245366 -0.1093494 -0.1489707 -2.6134173 -0.1966737 0.2402569 -0.3263970 -2.6834649 52 S -3.0113311 0.1740362 0.7227077 0.3299975 -2.3389390 0.6679632 0.4471623 0.1682599 -2.4944664 53 S -2.6894560 0.2960881 -0.3484961 -0.0824747 -3.2650292 0.4478651 -0.1090981 -0.4044707 -2.0802118 54 S -3.5023837 -0.2245366 0.1093494 0.1489707 -2.6134173 -0.1966737 -0.2402569 -0.3263970 -2.6834649 55 S -3.5023837 -0.2245366 -0.1093494 0.1489707 -2.6134173 0.1966737 0.2402569 0.3263970 -2.6834649 56 S -3.0113311 -0.1740362 -0.7227077 -0.3299975 -2.3389390 0.6679632 -0.4471623 0.1682599 -2.4944664 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 2 ] 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: 0.37, Number of G-points: 275, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.415 ( 0.000 0.000 0.000) 0.000 0.536 ( 0.000 0.000 0.000) 0.000 0.570 ( 0.000 0.000 0.000) 0.000 0.576 ( 0.000 0.000 0.000) 0.000 0.635 ( 0.000 0.000 0.000) 0.000 0.636 ( 0.000 0.000 0.000) 0.000 0.643 ( 0.000 0.000 0.000) 0.000 0.692 ( 0.000 0.000 0.000) 0.000 0.697 ( 0.000 0.000 0.000) 0.000 0.749 ( 0.000 0.000 0.000) 0.000 0.759 ( 0.000 0.000 0.000) 0.000 0.770 ( 0.000 0.000 0.000) 0.000 0.784 ( 0.000 0.000 0.000) 0.000 0.790 ( 0.000 0.000 0.000) 0.000 0.804 ( 0.000 0.000 0.000) 0.000 0.819 ( 0.000 0.000 0.000) 0.000 0.851 ( 0.000 0.000 0.000) 0.000 0.852 ( 0.000 0.000 0.000) 0.000 0.854 ( 0.000 0.000 0.000) 0.000 0.871 ( 0.000 0.000 0.000) 0.000 0.936 ( 0.000 0.000 0.000) 0.000 0.940 ( 0.000 0.000 0.000) 0.000 0.948 ( 0.000 0.000 0.000) 0.000 0.984 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 0.000 0.000) 0.000 1.009 ( 0.000 0.000 0.000) 0.000 1.031 ( 0.000 0.000 0.000) 0.000 1.072 ( 0.000 0.000 0.000) 0.000 1.074 ( 0.000 0.000 0.000) 0.000 1.081 ( 0.000 0.000 0.000) 0.000 1.091 ( 0.000 0.000 0.000) 0.000 1.122 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.187 ( 0.000 0.000 0.000) 0.000 1.204 ( 0.000 0.000 0.000) 0.000 1.214 ( 0.000 0.000 0.000) 0.000 1.235 ( 0.000 0.000 0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.274 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.344 ( 0.000 0.000 0.000) 0.000 1.368 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.446 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.472 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.543 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.255 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.587 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.500 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.033 ( 0.000 0.000 0.000) 0.000 9.084 ( 0.000 0.000 0.000) 0.000 9.090 ( 0.000 0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 9.365 ( 0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.397 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 9.625 ( 0.000 0.000 0.000) 0.000 9.718 ( 0.000 0.000 0.000) 0.000 10.427 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.458 ( 0.000 0.000 0.000) 0.000 10.459 ( 0.000 0.000 0.000) 0.000 10.525 ( 0.000 0.000 0.000) 0.000 10.530 ( 0.000 0.000 0.000) 0.000 10.570 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( 7.841 0.000 0.000) 7.841 0.166 ( 9.575 0.000 0.000) 9.575 0.439 ( 19.835 0.000 0.000) 19.835 0.470 ( 5.262 0.000 0.000) 5.262 0.477 ( -1.701 0.000 0.000) 1.701 0.558 ( -0.676 0.000 0.000) 0.676 0.571 ( 3.392 0.000 0.000) 3.392 0.602 ( -1.929 0.000 0.000) 1.929 0.650 ( 0.945 0.000 0.000) 0.945 0.666 ( -1.757 0.000 0.000) 1.757 0.671 ( -2.147 0.000 0.000) 2.147 0.715 ( -4.002 0.000 0.000) 4.002 0.746 ( 1.063 0.000 0.000) 1.063 0.772 ( 4.700 0.000 0.000) 4.700 0.784 ( 3.642 0.000 0.000) 3.642 0.806 ( 0.291 0.000 0.000) 0.291 0.809 ( 1.903 0.000 0.000) 1.903 0.857 ( 0.153 0.000 0.000) 0.153 0.874 ( 8.367 0.000 0.000) 8.367 0.879 ( 3.651 0.000 0.000) 3.651 0.887 ( 2.242 0.000 0.000) 2.242 0.904 ( -0.266 0.000 0.000) 0.266 0.920 ( 3.872 0.000 0.000) 3.872 0.926 ( 3.201 0.000 0.000) 3.201 0.971 ( 3.223 0.000 0.000) 3.223 1.006 ( -0.114 0.000 0.000) 0.114 1.008 ( 2.164 0.000 0.000) 2.164 1.012 ( 3.669 0.000 0.000) 3.669 1.022 ( 2.730 0.000 0.000) 2.730 1.046 ( 1.222 0.000 0.000) 1.222 1.073 ( 0.289 0.000 0.000) 0.289 1.104 ( 1.072 0.000 0.000) 1.072 1.104 ( 2.473 0.000 0.000) 2.473 1.107 ( 1.192 0.000 0.000) 1.192 1.114 ( -0.582 0.000 0.000) 0.582 1.115 ( 0.054 0.000 0.000) 0.054 1.174 ( 0.009 0.000 0.000) 0.009 1.200 ( -0.674 0.000 0.000) 0.674 1.213 ( -1.489 0.000 0.000) 1.489 1.223 ( -0.393 0.000 0.000) 0.393 1.243 ( 0.756 0.000 0.000) 0.756 1.263 ( -0.273 0.000 0.000) 0.273 1.274 ( 2.883 0.000 0.000) 2.883 1.279 ( 0.192 0.000 0.000) 0.192 1.288 ( 0.733 0.000 0.000) 0.733 1.289 ( 3.088 0.000 0.000) 3.088 1.331 ( 0.199 0.000 0.000) 0.199 1.336 ( -1.312 0.000 0.000) 1.312 1.351 ( -0.794 0.000 0.000) 0.794 1.375 ( 3.208 0.000 0.000) 3.208 1.389 ( -1.254 0.000 0.000) 1.254 1.389 ( 1.234 0.000 0.000) 1.234 1.444 ( -0.448 0.000 0.000) 0.448 1.444 ( -0.770 0.000 0.000) 0.770 1.451 ( -0.421 0.000 0.000) 0.421 1.460 ( 1.984 0.000 0.000) 1.984 1.516 ( 1.322 0.000 0.000) 1.322 1.525 ( 3.426 0.000 0.000) 3.426 1.525 ( -0.435 0.000 0.000) 0.435 1.566 ( 1.299 0.000 0.000) 1.299 1.584 ( 0.317 0.000 0.000) 0.317 1.616 ( 0.383 0.000 0.000) 0.383 1.629 ( -1.696 0.000 0.000) 1.696 1.689 ( 0.138 0.000 0.000) 0.138 1.752 ( -3.798 0.000 0.000) 3.798 1.772 ( -1.531 0.000 0.000) 1.531 1.780 ( -3.944 0.000 0.000) 3.944 1.827 ( -0.705 0.000 0.000) 0.705 1.850 ( -3.792 0.000 0.000) 3.792 1.858 ( 0.286 0.000 0.000) 0.286 1.916 ( 0.983 0.000 0.000) 0.983 1.922 ( -4.395 0.000 0.000) 4.395 2.224 ( 5.118 0.000 0.000) 5.118 2.234 ( 1.827 0.000 0.000) 1.827 2.270 ( -2.419 0.000 0.000) 2.419 2.275 ( 2.996 0.000 0.000) 2.996 2.325 ( 6.523 0.000 0.000) 6.523 2.355 ( 4.271 0.000 0.000) 4.271 2.370 ( -0.268 0.000 0.000) 0.268 2.393 ( 1.297 0.000 0.000) 1.297 2.437 ( 1.614 0.000 0.000) 1.614 2.441 ( 2.012 0.000 0.000) 2.012 2.518 ( 0.433 0.000 0.000) 0.433 2.527 ( 4.076 0.000 0.000) 4.076 2.557 ( 7.394 0.000 0.000) 7.394 2.558 ( 6.819 0.000 0.000) 6.819 2.620 ( 3.945 0.000 0.000) 3.945 2.735 ( 1.593 0.000 0.000) 1.593 2.775 ( -0.395 0.000 0.000) 0.395 2.778 ( 0.756 0.000 0.000) 0.756 2.799 ( 2.139 0.000 0.000) 2.139 2.884 ( 6.573 0.000 0.000) 6.573 2.884 ( 3.101 0.000 0.000) 3.101 2.959 ( 3.394 0.000 0.000) 3.394 3.002 ( -2.183 0.000 0.000) 2.183 3.028 ( -3.102 0.000 0.000) 3.102 3.517 ( 0.940 0.000 0.000) 0.940 3.651 ( -2.132 0.000 0.000) 2.132 3.688 ( -1.148 0.000 0.000) 1.148 3.691 ( -1.608 0.000 0.000) 1.608 3.701 ( -3.943 0.000 0.000) 3.943 3.731 ( -2.959 0.000 0.000) 2.959 3.803 ( -2.409 0.000 0.000) 2.409 3.838 ( -1.970 0.000 0.000) 1.970 4.077 ( -0.980 0.000 0.000) 0.980 4.103 ( -0.185 0.000 0.000) 0.185 4.143 ( -2.256 0.000 0.000) 2.256 4.159 ( 0.278 0.000 0.000) 0.278 4.215 ( -0.072 0.000 0.000) 0.072 4.235 ( -1.286 0.000 0.000) 1.286 4.265 ( -1.664 0.000 0.000) 1.664 4.307 ( -2.693 0.000 0.000) 2.693 4.493 ( 1.006 0.000 0.000) 1.006 4.545 ( 2.240 0.000 0.000) 2.240 4.569 ( -0.265 0.000 0.000) 0.265 4.582 ( -2.102 0.000 0.000) 2.102 4.608 ( 1.828 0.000 0.000) 1.828 4.677 ( -0.055 0.000 0.000) 0.055 4.748 ( 1.358 0.000 0.000) 1.358 4.910 ( -3.147 0.000 0.000) 3.147 5.323 ( 0.076 0.000 0.000) 0.076 5.344 ( 1.986 0.000 0.000) 1.986 5.387 ( 1.769 0.000 0.000) 1.769 5.453 ( -1.561 0.000 0.000) 1.561 5.488 ( 1.110 0.000 0.000) 1.110 5.543 ( 0.567 0.000 0.000) 0.567 5.582 ( -2.355 0.000 0.000) 2.355 5.605 ( 2.923 0.000 0.000) 2.923 5.653 ( 2.496 0.000 0.000) 2.496 5.661 ( 4.551 0.000 0.000) 4.551 5.729 ( 2.704 0.000 0.000) 2.704 5.746 ( 3.505 0.000 0.000) 3.505 5.846 ( 2.405 0.000 0.000) 2.405 5.864 ( 0.738 0.000 0.000) 0.738 5.901 ( 3.268 0.000 0.000) 3.268 6.062 ( -3.541 0.000 0.000) 3.541 6.293 ( -1.758 0.000 0.000) 1.758 6.303 ( -2.475 0.000 0.000) 2.475 6.328 ( -4.289 0.000 0.000) 4.289 6.371 ( 1.430 0.000 0.000) 1.430 6.500 ( -0.711 0.000 0.000) 0.711 6.504 ( -0.077 0.000 0.000) 0.077 6.590 ( 6.852 0.000 0.000) 6.852 6.690 ( -2.152 0.000 0.000) 2.152 9.004 ( 3.670 0.000 0.000) 3.670 9.027 ( 2.235 0.000 0.000) 2.235 9.048 ( 2.573 0.000 0.000) 2.573 9.095 ( 3.700 0.000 0.000) 3.700 9.123 ( 2.028 0.000 0.000) 2.028 9.124 ( 3.130 0.000 0.000) 3.130 9.172 ( 6.606 0.000 0.000) 6.606 9.357 ( -0.779 0.000 0.000) 0.779 9.364 ( -2.296 0.000 0.000) 2.296 9.378 ( -1.781 0.000 0.000) 1.781 9.389 ( 2.190 0.000 0.000) 2.190 9.443 ( -0.138 0.000 0.000) 0.138 9.539 ( -2.398 0.000 0.000) 2.398 9.567 ( 1.817 0.000 0.000) 1.817 9.608 ( -1.556 0.000 0.000) 1.556 9.752 ( -1.363 0.000 0.000) 1.363 10.428 ( 0.484 0.000 0.000) 0.484 10.461 ( 0.649 0.000 0.000) 0.649 10.464 ( 0.649 0.000 0.000) 0.649 10.483 ( 2.107 0.000 0.000) 2.107 10.518 ( -0.793 0.000 0.000) 0.793 10.534 ( 0.911 0.000 0.000) 0.911 10.584 ( 0.828 0.000 0.000) 0.828 10.598 ( 1.545 0.000 0.000) 1.545 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 6.862 0.000 0.000) 6.862 0.370 ( 10.397 0.000 0.000) 10.397 0.495 ( 2.276 0.000 0.000) 2.276 0.566 ( 1.731 0.000 0.000) 1.731 0.585 ( 4.140 0.000 0.000) 4.140 0.600 ( -0.952 0.000 0.000) 0.952 0.613 ( 2.974 0.000 0.000) 2.974 0.641 ( -0.444 0.000 0.000) 0.444 0.658 ( 1.060 0.000 0.000) 1.060 0.673 ( 0.964 0.000 0.000) 0.964 0.674 ( 5.756 0.000 0.000) 5.756 0.753 ( 4.047 0.000 0.000) 4.047 0.795 ( 5.904 0.000 0.000) 5.904 0.819 ( 0.463 0.000 0.000) 0.463 0.832 ( 2.571 0.000 0.000) 2.571 0.841 ( 0.895 0.000 0.000) 0.895 0.872 ( 1.863 0.000 0.000) 1.863 0.885 ( 2.480 0.000 0.000) 2.480 0.901 ( 4.654 0.000 0.000) 4.654 0.922 ( 0.346 0.000 0.000) 0.346 0.965 ( 3.304 0.000 0.000) 3.304 0.970 ( 1.489 0.000 0.000) 1.489 0.980 ( 2.708 0.000 0.000) 2.708 0.997 ( 2.627 0.000 0.000) 2.627 1.013 ( 1.299 0.000 0.000) 1.299 1.022 ( 1.827 0.000 0.000) 1.827 1.062 ( 1.076 0.000 0.000) 1.076 1.064 ( 0.146 0.000 0.000) 0.146 1.069 ( 0.002 0.000 0.000) 0.002 1.069 ( 1.275 0.000 0.000) 1.275 1.095 ( 1.998 0.000 0.000) 1.998 1.096 ( -1.713 0.000 0.000) 1.713 1.113 ( 0.798 0.000 0.000) 0.798 1.115 ( 5.566 0.000 0.000) 5.566 1.152 ( 0.703 0.000 0.000) 0.703 1.165 ( -0.121 0.000 0.000) 0.121 1.197 ( 3.635 0.000 0.000) 3.635 1.207 ( 3.426 0.000 0.000) 3.426 1.212 ( 1.180 0.000 0.000) 1.180 1.231 ( 2.075 0.000 0.000) 2.075 1.248 ( 0.125 0.000 0.000) 0.125 1.257 ( 0.217 0.000 0.000) 0.217 1.263 ( -2.755 0.000 0.000) 2.755 1.299 ( -1.357 0.000 0.000) 1.357 1.313 ( 1.006 0.000 0.000) 1.006 1.323 ( 1.764 0.000 0.000) 1.764 1.340 ( 0.686 0.000 0.000) 0.686 1.346 ( 3.446 0.000 0.000) 3.446 1.356 ( 2.508 0.000 0.000) 2.508 1.413 ( 1.378 0.000 0.000) 1.378 1.421 ( -1.651 0.000 0.000) 1.651 1.427 ( 1.555 0.000 0.000) 1.555 1.447 ( 3.669 0.000 0.000) 3.669 1.452 ( 2.144 0.000 0.000) 2.144 1.452 ( 1.501 0.000 0.000) 1.501 1.504 ( -0.122 0.000 0.000) 0.122 1.523 ( 2.454 0.000 0.000) 2.454 1.555 ( 1.385 0.000 0.000) 1.385 1.574 ( -1.458 0.000 0.000) 1.458 1.575 ( -0.426 0.000 0.000) 0.426 1.598 ( 1.450 0.000 0.000) 1.450 1.600 ( 1.406 0.000 0.000) 1.406 1.628 ( 0.865 0.000 0.000) 0.865 1.655 ( -5.196 0.000 0.000) 5.196 1.703 ( -2.752 0.000 0.000) 2.752 1.707 ( 1.488 0.000 0.000) 1.488 1.744 ( -1.478 0.000 0.000) 1.478 1.773 ( -2.674 0.000 0.000) 2.674 1.800 ( -5.589 0.000 0.000) 5.589 1.809 ( -0.940 0.000 0.000) 0.940 1.881 ( 0.281 0.000 0.000) 0.281 1.930 ( 0.206 0.000 0.000) 0.206 2.269 ( 2.100 0.000 0.000) 2.100 2.292 ( 3.635 0.000 0.000) 3.635 2.330 ( 4.954 0.000 0.000) 4.954 2.338 ( 3.239 0.000 0.000) 3.239 2.380 ( 1.334 0.000 0.000) 1.334 2.410 ( 2.502 0.000 0.000) 2.502 2.452 ( 4.521 0.000 0.000) 4.521 2.479 ( 4.791 0.000 0.000) 4.791 2.488 ( 3.006 0.000 0.000) 3.006 2.490 ( 3.258 0.000 0.000) 3.258 2.542 ( 2.056 0.000 0.000) 2.056 2.596 ( 3.002 0.000 0.000) 3.002 2.670 ( 0.226 0.000 0.000) 0.226 2.699 ( 4.376 0.000 0.000) 4.376 2.738 ( 10.309 0.000 0.000) 10.309 2.794 ( 4.430 0.000 0.000) 4.430 2.813 ( 6.001 0.000 0.000) 6.001 2.843 ( 6.317 0.000 0.000) 6.317 2.869 ( 2.832 0.000 0.000) 2.832 2.934 ( -4.580 0.000 0.000) 4.580 2.956 ( -0.088 0.000 0.000) 0.088 2.957 ( 4.546 0.000 0.000) 4.546 3.027 ( 7.223 0.000 0.000) 7.223 3.059 ( 5.232 0.000 0.000) 5.232 3.542 ( 1.553 0.000 0.000) 1.553 3.599 ( -2.917 0.000 0.000) 2.917 3.622 ( -3.092 0.000 0.000) 3.092 3.650 ( -2.391 0.000 0.000) 2.391 3.659 ( -3.822 0.000 0.000) 3.822 3.660 ( -1.651 0.000 0.000) 1.651 3.740 ( -3.642 0.000 0.000) 3.642 3.775 ( -4.066 0.000 0.000) 4.066 4.070 ( 0.564 0.000 0.000) 0.564 4.098 ( -0.219 0.000 0.000) 0.219 4.119 ( -0.304 0.000 0.000) 0.304 4.165 ( 0.314 0.000 0.000) 0.314 4.202 ( -0.922 0.000 0.000) 0.922 4.217 ( -0.675 0.000 0.000) 0.675 4.231 ( -1.531 0.000 0.000) 1.531 4.245 ( -3.171 0.000 0.000) 3.171 4.511 ( 0.455 0.000 0.000) 0.455 4.535 ( -2.433 0.000 0.000) 2.433 4.558 ( -1.074 0.000 0.000) 1.074 4.579 ( 0.513 0.000 0.000) 0.513 4.651 ( 2.395 0.000 0.000) 2.395 4.696 ( 1.677 0.000 0.000) 1.677 4.762 ( 0.209 0.000 0.000) 0.209 4.837 ( -3.644 0.000 0.000) 3.644 5.326 ( 0.267 0.000 0.000) 0.267 5.382 ( 1.749 0.000 0.000) 1.749 5.429 ( -0.751 0.000 0.000) 0.751 5.436 ( 3.013 0.000 0.000) 3.013 5.507 ( 0.799 0.000 0.000) 0.799 5.545 ( -0.508 0.000 0.000) 0.508 5.546 ( -1.444 0.000 0.000) 1.444 5.660 ( 1.576 0.000 0.000) 1.576 5.720 ( 3.999 0.000 0.000) 3.999 5.774 ( 6.225 0.000 0.000) 6.225 5.798 ( 3.884 0.000 0.000) 3.884 5.833 ( 4.768 0.000 0.000) 4.768 5.887 ( 1.697 0.000 0.000) 1.697 5.909 ( 3.648 0.000 0.000) 3.648 5.942 ( 1.130 0.000 0.000) 1.130 5.981 ( -3.586 0.000 0.000) 3.586 6.252 ( -3.196 0.000 0.000) 3.196 6.257 ( -1.855 0.000 0.000) 1.855 6.263 ( -1.215 0.000 0.000) 1.215 6.388 ( 0.235 0.000 0.000) 0.235 6.474 ( -2.014 0.000 0.000) 2.014 6.488 ( -1.409 0.000 0.000) 1.409 6.630 ( -3.815 0.000 0.000) 3.815 6.668 ( 0.666 0.000 0.000) 0.666 9.090 ( 4.206 0.000 0.000) 4.206 9.093 ( 3.755 0.000 0.000) 3.755 9.123 ( 4.197 0.000 0.000) 4.197 9.144 ( 1.286 0.000 0.000) 1.286 9.163 ( 2.005 0.000 0.000) 2.005 9.193 ( 3.213 0.000 0.000) 3.213 9.284 ( 2.443 0.000 0.000) 2.443 9.319 ( -0.374 0.000 0.000) 0.374 9.336 ( -2.044 0.000 0.000) 2.044 9.340 ( -0.722 0.000 0.000) 0.722 9.441 ( -0.015 0.000 0.000) 0.015 9.451 ( 3.768 0.000 0.000) 3.768 9.476 ( -3.774 0.000 0.000) 3.774 9.576 ( -1.303 0.000 0.000) 1.303 9.602 ( 1.227 0.000 0.000) 1.227 9.716 ( -2.208 0.000 0.000) 2.208 10.454 ( 2.108 0.000 0.000) 2.108 10.487 ( 1.709 0.000 0.000) 1.709 10.487 ( 2.033 0.000 0.000) 2.033 10.512 ( 0.367 0.000 0.000) 0.367 10.534 ( 2.938 0.000 0.000) 2.938 10.561 ( 1.841 0.000 0.000) 1.841 10.608 ( 1.506 0.000 0.000) 1.506 10.632 ( 1.800 0.000 0.000) 1.800 ======================= Grid point 3 (4/30) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 5.574 0.000 0.000) 5.574 0.504 ( 3.033 0.000 0.000) 3.033 0.574 ( -0.529 0.000 0.000) 0.529 0.588 ( -0.932 0.000 0.000) 0.932 0.597 ( 6.485 0.000 0.000) 6.485 0.628 ( 2.586 0.000 0.000) 2.586 0.645 ( -0.489 0.000 0.000) 0.489 0.666 ( 0.173 0.000 0.000) 0.173 0.683 ( 4.126 0.000 0.000) 4.126 0.769 ( 6.573 0.000 0.000) 6.573 0.782 ( 1.359 0.000 0.000) 1.359 0.798 ( 5.536 0.000 0.000) 5.536 0.821 ( 0.911 0.000 0.000) 0.911 0.847 ( 0.182 0.000 0.000) 0.182 0.863 ( 1.065 0.000 0.000) 1.065 0.885 ( 0.706 0.000 0.000) 0.706 0.919 ( 1.064 0.000 0.000) 1.064 0.922 ( 2.761 0.000 0.000) 2.761 0.925 ( 1.858 0.000 0.000) 1.858 0.965 ( -0.363 0.000 0.000) 0.363 0.991 ( -1.590 0.000 0.000) 1.590 1.011 ( 2.678 0.000 0.000) 2.678 1.017 ( 3.752 0.000 0.000) 3.752 1.018 ( -0.032 0.000 0.000) 0.032 1.023 ( -1.144 0.000 0.000) 1.144 1.055 ( -1.521 0.000 0.000) 1.521 1.056 ( -0.245 0.000 0.000) 0.245 1.060 ( 1.804 0.000 0.000) 1.804 1.064 ( 1.566 0.000 0.000) 1.566 1.089 ( 1.428 0.000 0.000) 1.428 1.093 ( 1.881 0.000 0.000) 1.881 1.126 ( -1.854 0.000 0.000) 1.854 1.158 ( 2.742 0.000 0.000) 2.742 1.172 ( 3.079 0.000 0.000) 3.079 1.175 ( 0.266 0.000 0.000) 0.266 1.184 ( 1.059 0.000 0.000) 1.059 1.195 ( -1.876 0.000 0.000) 1.876 1.224 ( -0.025 0.000 0.000) 0.025 1.247 ( 1.427 0.000 0.000) 1.427 1.255 ( 0.377 0.000 0.000) 0.377 1.276 ( 1.751 0.000 0.000) 1.751 1.283 ( 2.652 0.000 0.000) 2.652 1.295 ( 0.781 0.000 0.000) 0.781 1.299 ( -0.389 0.000 0.000) 0.389 1.343 ( 0.134 0.000 0.000) 0.134 1.349 ( 0.764 0.000 0.000) 0.764 1.362 ( 6.549 0.000 0.000) 6.549 1.387 ( -1.693 0.000 0.000) 1.693 1.404 ( 2.014 0.000 0.000) 2.014 1.410 ( 1.224 0.000 0.000) 1.224 1.422 ( -0.675 0.000 0.000) 0.675 1.432 ( 0.843 0.000 0.000) 0.843 1.465 ( -2.455 0.000 0.000) 2.455 1.504 ( 1.735 0.000 0.000) 1.735 1.515 ( 2.938 0.000 0.000) 2.938 1.522 ( 3.282 0.000 0.000) 3.282 1.526 ( -2.366 0.000 0.000) 2.366 1.537 ( -3.896 0.000 0.000) 3.896 1.547 ( -1.713 0.000 0.000) 1.713 1.578 ( 0.874 0.000 0.000) 0.874 1.593 ( 0.612 0.000 0.000) 0.612 1.622 ( 0.349 0.000 0.000) 0.349 1.631 ( 0.938 0.000 0.000) 0.938 1.644 ( 3.241 0.000 0.000) 3.241 1.704 ( 1.195 0.000 0.000) 1.195 1.719 ( -1.741 0.000 0.000) 1.741 1.723 ( 0.540 0.000 0.000) 0.540 1.740 ( 1.496 0.000 0.000) 1.496 1.771 ( 1.469 0.000 0.000) 1.469 1.807 ( 1.110 0.000 0.000) 1.110 1.881 ( -0.451 0.000 0.000) 0.451 1.920 ( -1.216 0.000 0.000) 1.216 2.335 ( 4.062 0.000 0.000) 4.062 2.360 ( 2.906 0.000 0.000) 2.906 2.410 ( 4.332 0.000 0.000) 4.332 2.411 ( 3.199 0.000 0.000) 3.199 2.419 ( 2.471 0.000 0.000) 2.471 2.460 ( 2.216 0.000 0.000) 2.216 2.511 ( 0.110 0.000 0.000) 0.110 2.511 ( 1.401 0.000 0.000) 1.401 2.544 ( 2.095 0.000 0.000) 2.095 2.554 ( 2.340 0.000 0.000) 2.340 2.579 ( 1.201 0.000 0.000) 1.201 2.632 ( -0.578 0.000 0.000) 0.578 2.661 ( 0.601 0.000 0.000) 0.601 2.720 ( -0.696 0.000 0.000) 0.696 2.798 ( -4.786 0.000 0.000) 4.786 2.804 ( -4.909 0.000 0.000) 4.909 2.947 ( 6.015 0.000 0.000) 6.015 2.955 ( 9.695 0.000 0.000) 9.695 2.975 ( 7.953 0.000 0.000) 7.953 2.987 ( 7.116 0.000 0.000) 7.116 3.072 ( 7.579 0.000 0.000) 7.579 3.072 ( 6.780 0.000 0.000) 6.780 3.153 ( 5.170 0.000 0.000) 5.170 3.164 ( 4.912 0.000 0.000) 4.912 3.545 ( -2.333 0.000 0.000) 2.333 3.573 ( 1.391 0.000 0.000) 1.391 3.590 ( -3.223 0.000 0.000) 3.223 3.595 ( 0.355 0.000 0.000) 0.355 3.608 ( -1.472 0.000 0.000) 1.472 3.621 ( -2.287 0.000 0.000) 2.287 3.675 ( -2.649 0.000 0.000) 2.649 3.698 ( -3.126 0.000 0.000) 3.126 4.098 ( 0.273 0.000 0.000) 0.273 4.101 ( 2.414 0.000 0.000) 2.414 4.123 ( 0.624 0.000 0.000) 0.624 4.170 ( 0.118 0.000 0.000) 0.118 4.187 ( -0.497 0.000 0.000) 0.497 4.189 ( -2.438 0.000 0.000) 2.438 4.202 ( -0.937 0.000 0.000) 0.937 4.209 ( -0.709 0.000 0.000) 0.709 4.490 ( -2.012 0.000 0.000) 2.012 4.504 ( -1.161 0.000 0.000) 1.161 4.523 ( -2.359 0.000 0.000) 2.359 4.550 ( -3.161 0.000 0.000) 3.161 4.698 ( 2.341 0.000 0.000) 2.341 4.731 ( 1.654 0.000 0.000) 1.654 4.765 ( 0.194 0.000 0.000) 0.194 4.787 ( -1.393 0.000 0.000) 1.393 5.337 ( 1.003 0.000 0.000) 1.003 5.409 ( 0.781 0.000 0.000) 0.781 5.418 ( -0.554 0.000 0.000) 0.554 5.499 ( 3.095 0.000 0.000) 3.095 5.511 ( -0.881 0.000 0.000) 0.881 5.523 ( -0.737 0.000 0.000) 0.737 5.527 ( -1.031 0.000 0.000) 1.031 5.637 ( -3.274 0.000 0.000) 3.274 5.798 ( 3.713 0.000 0.000) 3.713 5.870 ( 3.178 0.000 0.000) 3.178 5.886 ( 4.776 0.000 0.000) 4.776 5.895 ( 1.249 0.000 0.000) 1.249 5.950 ( 4.245 0.000 0.000) 4.245 5.955 ( 0.312 0.000 0.000) 0.312 5.960 ( 1.390 0.000 0.000) 1.390 5.974 ( 2.530 0.000 0.000) 2.530 6.210 ( -0.984 0.000 0.000) 0.984 6.235 ( -0.391 0.000 0.000) 0.391 6.249 ( -0.140 0.000 0.000) 0.140 6.388 ( 0.109 0.000 0.000) 0.109 6.416 ( -3.799 0.000 0.000) 3.799 6.457 ( -1.354 0.000 0.000) 1.354 6.548 ( -4.288 0.000 0.000) 4.288 6.628 ( -4.125 0.000 0.000) 4.125 9.141 ( 1.092 0.000 0.000) 1.092 9.146 ( 0.806 0.000 0.000) 0.806 9.172 ( 2.507 0.000 0.000) 2.507 9.182 ( 1.120 0.000 0.000) 1.120 9.217 ( -1.038 0.000 0.000) 1.038 9.218 ( 3.437 0.000 0.000) 3.437 9.265 ( -0.858 0.000 0.000) 0.858 9.324 ( 0.936 0.000 0.000) 0.936 9.333 ( 0.053 0.000 0.000) 0.053 9.356 ( 1.457 0.000 0.000) 1.457 9.400 ( -3.670 0.000 0.000) 3.670 9.439 ( -0.303 0.000 0.000) 0.303 9.522 ( 3.188 0.000 0.000) 3.188 9.568 ( 0.474 0.000 0.000) 0.474 9.608 ( -0.407 0.000 0.000) 0.407 9.668 ( -2.564 0.000 0.000) 2.564 10.505 ( 2.756 0.000 0.000) 2.756 10.529 ( 2.355 0.000 0.000) 2.355 10.531 ( 1.411 0.000 0.000) 1.411 10.536 ( 2.599 0.000 0.000) 2.599 10.594 ( 2.987 0.000 0.000) 2.987 10.601 ( 1.996 0.000 0.000) 1.996 10.637 ( 1.271 0.000 0.000) 1.271 10.663 ( 1.129 0.000 0.000) 1.129 ======================= Grid point 4 (5/30) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 3.203 0.000 0.000) 3.203 0.555 ( 2.253 0.000 0.000) 2.253 0.561 ( -1.105 0.000 0.000) 1.105 0.579 ( -0.170 0.000 0.000) 0.170 0.624 ( -1.178 0.000 0.000) 1.178 0.626 ( -1.100 0.000 0.000) 1.100 0.655 ( 0.506 0.000 0.000) 0.506 0.663 ( -0.355 0.000 0.000) 0.355 0.793 ( 4.459 0.000 0.000) 4.459 0.831 ( 3.057 0.000 0.000) 3.057 0.850 ( 0.404 0.000 0.000) 0.404 0.851 ( -1.627 0.000 0.000) 1.627 0.863 ( -0.545 0.000 0.000) 0.545 0.874 ( 0.555 0.000 0.000) 0.555 0.880 ( 4.548 0.000 0.000) 4.548 0.891 ( 3.898 0.000 0.000) 3.898 0.930 ( 1.534 0.000 0.000) 1.534 0.946 ( -0.211 0.000 0.000) 0.211 0.960 ( -1.927 0.000 0.000) 1.927 0.975 ( 1.905 0.000 0.000) 1.905 0.986 ( 0.960 0.000 0.000) 0.960 0.999 ( -3.810 0.000 0.000) 3.810 0.999 ( -0.421 0.000 0.000) 0.421 1.002 ( -0.409 0.000 0.000) 0.409 1.053 ( 0.149 0.000 0.000) 0.149 1.067 ( 2.609 0.000 0.000) 2.609 1.073 ( -0.853 0.000 0.000) 0.853 1.074 ( 1.690 0.000 0.000) 1.690 1.104 ( -0.358 0.000 0.000) 0.358 1.108 ( 1.537 0.000 0.000) 1.537 1.114 ( -0.205 0.000 0.000) 0.205 1.117 ( 0.731 0.000 0.000) 0.731 1.167 ( 0.134 0.000 0.000) 0.134 1.174 ( -0.052 0.000 0.000) 0.052 1.179 ( -0.338 0.000 0.000) 0.338 1.181 ( -0.822 0.000 0.000) 0.822 1.224 ( 1.604 0.000 0.000) 1.604 1.243 ( 2.682 0.000 0.000) 2.682 1.256 ( -0.849 0.000 0.000) 0.849 1.262 ( 0.065 0.000 0.000) 0.065 1.268 ( -1.339 0.000 0.000) 1.339 1.303 ( -1.991 0.000 0.000) 1.991 1.319 ( 2.331 0.000 0.000) 2.331 1.351 ( -0.530 0.000 0.000) 0.530 1.353 ( 4.110 0.000 0.000) 4.110 1.357 ( 1.317 0.000 0.000) 1.317 1.363 ( 0.623 0.000 0.000) 0.623 1.398 ( -2.382 0.000 0.000) 2.382 1.398 ( -1.722 0.000 0.000) 1.722 1.400 ( -0.712 0.000 0.000) 0.712 1.447 ( 0.697 0.000 0.000) 0.697 1.451 ( 1.333 0.000 0.000) 1.333 1.462 ( 1.876 0.000 0.000) 1.876 1.471 ( -1.839 0.000 0.000) 1.839 1.479 ( -2.443 0.000 0.000) 2.443 1.500 ( -2.095 0.000 0.000) 2.095 1.518 ( 0.347 0.000 0.000) 0.347 1.531 ( -0.763 0.000 0.000) 0.763 1.563 ( 0.626 0.000 0.000) 0.626 1.570 ( -0.560 0.000 0.000) 0.560 1.634 ( 2.106 0.000 0.000) 2.106 1.645 ( 1.184 0.000 0.000) 1.184 1.672 ( 2.117 0.000 0.000) 2.117 1.694 ( 0.553 0.000 0.000) 0.553 1.717 ( 0.850 0.000 0.000) 0.850 1.722 ( 0.638 0.000 0.000) 0.638 1.748 ( 1.122 0.000 0.000) 1.122 1.757 ( 0.166 0.000 0.000) 0.166 1.819 ( 3.296 0.000 0.000) 3.296 1.840 ( 1.675 0.000 0.000) 1.675 1.866 ( -1.020 0.000 0.000) 1.020 1.882 ( -2.665 0.000 0.000) 2.665 2.411 ( 2.468 0.000 0.000) 2.468 2.412 ( 3.246 0.000 0.000) 3.246 2.446 ( 0.046 0.000 0.000) 0.046 2.459 ( -2.103 0.000 0.000) 2.103 2.470 ( 2.568 0.000 0.000) 2.568 2.496 ( 3.749 0.000 0.000) 3.749 2.512 ( -1.248 0.000 0.000) 1.248 2.525 ( 0.943 0.000 0.000) 0.943 2.574 ( 1.098 0.000 0.000) 1.098 2.581 ( 0.419 0.000 0.000) 0.419 2.586 ( -0.254 0.000 0.000) 0.254 2.600 ( -1.673 0.000 0.000) 1.673 2.683 ( 1.114 0.000 0.000) 1.114 2.698 ( -0.961 0.000 0.000) 0.961 2.712 ( -2.922 0.000 0.000) 2.922 2.718 ( -3.000 0.000 0.000) 3.000 3.053 ( 3.832 0.000 0.000) 3.832 3.077 ( 1.852 0.000 0.000) 1.852 3.093 ( 3.161 0.000 0.000) 3.161 3.094 ( 3.516 0.000 0.000) 3.516 3.188 ( 3.814 0.000 0.000) 3.814 3.192 ( 4.519 0.000 0.000) 4.519 3.217 ( 0.974 0.000 0.000) 0.974 3.228 ( 0.993 0.000 0.000) 0.993 3.516 ( -0.378 0.000 0.000) 0.378 3.534 ( -2.117 0.000 0.000) 2.117 3.578 ( -0.297 0.000 0.000) 0.297 3.584 ( -1.079 0.000 0.000) 1.079 3.611 ( 1.149 0.000 0.000) 1.149 3.625 ( 2.104 0.000 0.000) 2.104 3.636 ( -1.470 0.000 0.000) 1.470 3.659 ( -1.340 0.000 0.000) 1.340 4.113 ( 1.256 0.000 0.000) 1.256 4.141 ( -0.831 0.000 0.000) 0.831 4.141 ( 1.180 0.000 0.000) 1.180 4.162 ( 1.655 0.000 0.000) 1.655 4.164 ( -0.863 0.000 0.000) 0.863 4.183 ( -0.028 0.000 0.000) 0.028 4.186 ( -0.440 0.000 0.000) 0.440 4.195 ( -1.003 0.000 0.000) 1.003 4.462 ( -0.545 0.000 0.000) 0.545 4.476 ( -1.066 0.000 0.000) 1.066 4.476 ( -1.904 0.000 0.000) 1.904 4.487 ( -2.366 0.000 0.000) 2.366 4.740 ( 1.798 0.000 0.000) 1.798 4.758 ( 0.964 0.000 0.000) 0.964 4.767 ( -0.981 0.000 0.000) 0.981 4.768 ( -0.083 0.000 0.000) 0.083 5.375 ( 3.057 0.000 0.000) 3.057 5.408 ( -0.224 0.000 0.000) 0.224 5.411 ( -0.325 0.000 0.000) 0.325 5.454 ( -4.412 0.000 0.000) 4.412 5.515 ( -0.157 0.000 0.000) 0.157 5.516 ( -0.161 0.000 0.000) 0.161 5.551 ( 2.096 0.000 0.000) 2.096 5.585 ( -1.688 0.000 0.000) 1.688 5.862 ( 2.641 0.000 0.000) 2.641 5.898 ( -0.915 0.000 0.000) 0.915 5.919 ( 1.781 0.000 0.000) 1.781 5.939 ( 0.070 0.000 0.000) 0.070 5.973 ( 1.924 0.000 0.000) 1.924 5.997 ( -0.162 0.000 0.000) 0.162 6.002 ( 1.986 0.000 0.000) 1.986 6.012 ( 1.421 0.000 0.000) 1.421 6.212 ( 0.937 0.000 0.000) 0.937 6.230 ( -0.533 0.000 0.000) 0.533 6.266 ( 2.137 0.000 0.000) 2.137 6.333 ( -4.278 0.000 0.000) 4.278 6.407 ( 2.059 0.000 0.000) 2.059 6.458 ( 1.940 0.000 0.000) 1.940 6.467 ( -3.756 0.000 0.000) 3.756 6.532 ( -4.978 0.000 0.000) 4.978 9.156 ( 0.650 0.000 0.000) 0.650 9.157 ( 0.939 0.000 0.000) 0.939 9.174 ( -1.106 0.000 0.000) 1.106 9.184 ( -1.726 0.000 0.000) 1.726 9.220 ( 2.079 0.000 0.000) 2.079 9.252 ( -1.089 0.000 0.000) 1.089 9.280 ( 2.797 0.000 0.000) 2.797 9.335 ( -2.861 0.000 0.000) 2.861 9.340 ( 0.508 0.000 0.000) 0.508 9.343 ( 0.399 0.000 0.000) 0.399 9.387 ( 1.896 0.000 0.000) 1.896 9.423 ( -1.444 0.000 0.000) 1.444 9.575 ( 2.276 0.000 0.000) 2.276 9.582 ( 0.718 0.000 0.000) 0.718 9.596 ( -0.704 0.000 0.000) 0.704 9.619 ( -2.320 0.000 0.000) 2.320 10.549 ( 1.387 0.000 0.000) 1.387 10.555 ( 0.672 0.000 0.000) 0.672 10.569 ( 1.384 0.000 0.000) 1.384 10.574 ( 0.928 0.000 0.000) 0.928 10.635 ( 1.394 0.000 0.000) 1.394 10.645 ( 2.070 0.000 0.000) 2.070 10.651 ( -0.036 0.000 0.000) 0.036 10.671 ( -0.416 0.000 0.000) 0.416 ======================= Grid point 9 (6/30) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.199 ( 0.000 9.498 0.000) 9.498 0.251 ( 0.000 11.308 0.000) 11.308 0.310 ( 0.000 12.501 0.000) 12.501 0.453 ( 0.000 2.895 0.000) 2.895 0.502 ( 0.000 -1.722 0.000) 1.722 0.520 ( 0.000 -2.733 0.000) 2.733 0.539 ( 0.000 -5.758 0.000) 5.758 0.574 ( 0.000 -3.105 0.000) 3.105 0.579 ( 0.000 -3.572 0.000) 3.572 0.599 ( 0.000 2.112 0.000) 2.112 0.658 ( 0.000 -5.074 0.000) 5.074 0.727 ( 0.000 -3.027 0.000) 3.027 0.728 ( 0.000 -4.138 0.000) 4.138 0.769 ( 0.000 1.127 0.000) 1.127 0.779 ( 0.000 3.718 0.000) 3.718 0.793 ( 0.000 -0.877 0.000) 0.877 0.794 ( 0.000 0.485 0.000) 0.485 0.815 ( 0.000 4.170 0.000) 4.170 0.833 ( 0.000 -2.295 0.000) 2.295 0.843 ( 0.000 -1.296 0.000) 1.296 0.871 ( 0.000 -0.337 0.000) 0.337 0.887 ( 0.000 2.435 0.000) 2.435 0.914 ( 0.000 0.128 0.000) 0.128 0.921 ( 0.000 3.439 0.000) 3.439 0.959 ( 0.000 4.541 0.000) 4.541 0.980 ( 0.000 1.706 0.000) 1.706 0.985 ( 0.000 -0.079 0.000) 0.079 1.011 ( 0.000 -2.644 0.000) 2.644 1.020 ( 0.000 1.805 0.000) 1.805 1.027 ( 0.000 1.312 0.000) 1.312 1.065 ( 0.000 -0.336 0.000) 0.336 1.088 ( 0.000 1.745 0.000) 1.745 1.093 ( 0.000 0.210 0.000) 0.210 1.101 ( 0.000 1.374 0.000) 1.374 1.148 ( 0.000 1.326 0.000) 1.326 1.158 ( 0.000 -2.280 0.000) 2.280 1.174 ( 0.000 -2.731 0.000) 2.731 1.195 ( 0.000 -1.781 0.000) 1.781 1.199 ( 0.000 -1.239 0.000) 1.239 1.206 ( 0.000 1.856 0.000) 1.856 1.208 ( 0.000 3.407 0.000) 3.407 1.231 ( 0.000 -3.018 0.000) 3.018 1.279 ( 0.000 1.288 0.000) 1.288 1.282 ( 0.000 2.313 0.000) 2.313 1.293 ( 0.000 -1.040 0.000) 1.040 1.294 ( 0.000 -0.908 0.000) 0.908 1.297 ( 0.000 1.234 0.000) 1.234 1.314 ( 0.000 -2.530 0.000) 2.530 1.351 ( 0.000 -1.802 0.000) 1.802 1.366 ( 0.000 2.282 0.000) 2.282 1.389 ( 0.000 -2.354 0.000) 2.354 1.398 ( 0.000 0.223 0.000) 0.223 1.404 ( 0.000 -1.308 0.000) 1.308 1.420 ( 0.000 -2.625 0.000) 2.625 1.451 ( 0.000 -1.347 0.000) 1.347 1.453 ( 0.000 -0.759 0.000) 0.759 1.483 ( 0.000 0.862 0.000) 0.862 1.510 ( 0.000 0.278 0.000) 0.278 1.547 ( 0.000 1.052 0.000) 1.052 1.547 ( 0.000 -2.496 0.000) 2.496 1.559 ( 0.000 1.401 0.000) 1.401 1.581 ( 0.000 -2.418 0.000) 2.418 1.623 ( 0.000 -1.901 0.000) 1.901 1.657 ( 0.000 -2.897 0.000) 2.897 1.783 ( 0.000 0.169 0.000) 0.169 1.813 ( 0.000 1.089 0.000) 1.089 1.823 ( 0.000 -0.459 0.000) 0.459 1.833 ( 0.000 0.669 0.000) 0.669 1.867 ( 0.000 -2.376 0.000) 2.376 1.867 ( 0.000 1.481 0.000) 1.481 1.891 ( 0.000 -1.111 0.000) 1.111 1.963 ( 0.000 -2.103 0.000) 2.103 2.194 ( 0.000 2.575 0.000) 2.575 2.212 ( 0.000 -1.399 0.000) 1.399 2.217 ( 0.000 -1.182 0.000) 1.182 2.253 ( 0.000 3.424 0.000) 3.424 2.270 ( 0.000 0.810 0.000) 0.810 2.312 ( 0.000 -1.848 0.000) 1.848 2.329 ( 0.000 -0.462 0.000) 0.462 2.349 ( 0.000 -1.214 0.000) 1.214 2.435 ( 0.000 3.403 0.000) 3.403 2.475 ( 0.000 1.206 0.000) 1.206 2.479 ( 0.000 0.770 0.000) 0.770 2.509 ( 0.000 2.616 0.000) 2.616 2.519 ( 0.000 3.678 0.000) 3.678 2.522 ( 0.000 -0.466 0.000) 0.466 2.601 ( 0.000 0.438 0.000) 0.438 2.698 ( 0.000 -2.891 0.000) 2.891 2.745 ( 0.000 2.633 0.000) 2.633 2.775 ( 0.000 0.314 0.000) 0.314 2.811 ( 0.000 -0.457 0.000) 0.457 2.821 ( 0.000 2.265 0.000) 2.265 2.843 ( 0.000 0.358 0.000) 0.358 2.944 ( 0.000 0.641 0.000) 0.641 2.963 ( 0.000 -5.136 0.000) 5.136 3.040 ( 0.000 -2.109 0.000) 2.109 3.509 ( 0.000 0.847 0.000) 0.847 3.684 ( 0.000 0.803 0.000) 0.803 3.695 ( 0.000 -6.735 0.000) 6.735 3.700 ( 0.000 0.121 0.000) 0.121 3.708 ( 0.000 -0.368 0.000) 0.368 3.744 ( 0.000 -1.446 0.000) 1.446 3.830 ( 0.000 0.117 0.000) 0.117 3.842 ( 0.000 -0.781 0.000) 0.781 4.106 ( 0.000 3.935 0.000) 3.935 4.131 ( 0.000 1.779 0.000) 1.779 4.154 ( 0.000 0.006 0.000) 0.006 4.227 ( 0.000 3.008 0.000) 3.008 4.255 ( 0.000 -2.225 0.000) 2.225 4.262 ( 0.000 0.580 0.000) 0.580 4.285 ( 0.000 -0.093 0.000) 0.093 4.347 ( 0.000 -0.395 0.000) 0.395 4.490 ( 0.000 0.769 0.000) 0.769 4.523 ( 0.000 0.636 0.000) 0.636 4.534 ( 0.000 -1.607 0.000) 1.607 4.589 ( 0.000 -1.489 0.000) 1.489 4.636 ( 0.000 2.552 0.000) 2.552 4.715 ( 0.000 -1.074 0.000) 1.074 4.720 ( 0.000 0.872 0.000) 0.872 4.835 ( 0.000 -2.910 0.000) 2.910 5.287 ( 0.000 -1.550 0.000) 1.550 5.298 ( 0.000 -1.742 0.000) 1.742 5.415 ( 0.000 0.599 0.000) 0.599 5.425 ( 0.000 3.618 0.000) 3.618 5.514 ( 0.000 3.001 0.000) 3.001 5.522 ( 0.000 -4.158 0.000) 4.158 5.528 ( 0.000 -1.023 0.000) 1.023 5.590 ( 0.000 0.009 0.000) 0.009 5.687 ( 0.000 1.226 0.000) 1.226 5.733 ( 0.000 4.707 0.000) 4.707 5.780 ( 0.000 3.399 0.000) 3.399 5.789 ( 0.000 -2.567 0.000) 2.567 5.819 ( 0.000 -0.250 0.000) 0.250 5.847 ( 0.000 0.041 0.000) 0.041 5.855 ( 0.000 -0.535 0.000) 0.535 5.879 ( 0.000 -1.948 0.000) 1.948 6.319 ( 0.000 -0.136 0.000) 0.136 6.326 ( 0.000 0.115 0.000) 0.115 6.372 ( 0.000 -0.519 0.000) 0.519 6.386 ( 0.000 2.586 0.000) 2.586 6.453 ( 0.000 -3.499 0.000) 3.499 6.472 ( 0.000 3.228 0.000) 3.228 6.482 ( 0.000 -1.680 0.000) 1.680 6.559 ( 0.000 -0.314 0.000) 0.314 8.974 ( 0.000 0.774 0.000) 0.774 8.997 ( 0.000 1.239 0.000) 1.239 9.015 ( 0.000 -0.885 0.000) 0.885 9.031 ( 0.000 0.588 0.000) 0.588 9.043 ( 0.000 0.847 0.000) 0.847 9.075 ( 0.000 -2.075 0.000) 2.075 9.083 ( 0.000 -0.694 0.000) 0.694 9.085 ( 0.000 -1.272 0.000) 1.272 9.362 ( 0.000 -0.255 0.000) 0.255 9.362 ( 0.000 -0.337 0.000) 0.337 9.458 ( 0.000 4.658 0.000) 4.658 9.459 ( 0.000 1.277 0.000) 1.277 9.527 ( 0.000 -1.610 0.000) 1.610 9.605 ( 0.000 -1.903 0.000) 1.903 9.731 ( 0.000 1.240 0.000) 1.240 9.813 ( 0.000 -1.980 0.000) 1.980 10.457 ( 0.000 0.643 0.000) 0.643 10.461 ( 0.000 0.173 0.000) 0.173 10.467 ( 0.000 0.987 0.000) 0.987 10.484 ( 0.000 3.491 0.000) 3.491 10.519 ( 0.000 -0.998 0.000) 0.998 10.572 ( 0.000 -0.484 0.000) 0.484 10.576 ( 0.000 0.542 0.000) 0.542 10.607 ( 0.000 -0.773 0.000) 0.773 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 5.796 7.071 0.000) 9.143 0.298 ( 4.135 9.484 0.000) 10.346 0.476 ( 3.063 0.136 0.000) 3.066 0.492 ( 3.277 1.386 0.000) 3.558 0.501 ( 4.019 -0.725 0.000) 4.084 0.527 ( 3.195 -1.785 0.000) 3.660 0.540 ( 3.058 0.924 0.000) 3.194 0.595 ( 1.614 -3.004 0.000) 3.411 0.599 ( 5.781 1.827 0.000) 6.063 0.635 ( -0.927 -1.529 0.000) 1.788 0.649 ( -0.245 -4.756 0.000) 4.762 0.698 ( -2.370 -1.665 0.000) 2.896 0.701 ( 0.299 -2.804 0.000) 2.819 0.771 ( 0.883 -0.178 0.000) 0.901 0.778 ( 1.922 1.671 0.000) 2.547 0.788 ( 0.593 -0.975 0.000) 1.141 0.818 ( 1.906 -0.347 0.000) 1.937 0.851 ( 0.015 -2.413 0.000) 2.413 0.864 ( 1.653 -0.201 0.000) 1.665 0.888 ( 2.260 1.224 0.000) 2.571 0.900 ( 5.706 -1.312 0.000) 5.855 0.912 ( 2.376 1.868 0.000) 3.023 0.954 ( 4.108 0.162 0.000) 4.111 0.954 ( 0.635 2.825 0.000) 2.895 0.986 ( 2.808 2.079 0.000) 3.494 1.008 ( 1.706 1.306 0.000) 2.148 1.015 ( 3.528 1.901 0.000) 4.008 1.030 ( 2.227 -0.454 0.000) 2.273 1.056 ( 2.364 2.653 0.000) 3.554 1.058 ( 2.436 2.096 0.000) 3.213 1.081 ( 1.385 -0.109 0.000) 1.389 1.086 ( 0.664 -1.435 0.000) 1.581 1.105 ( 0.655 0.693 0.000) 0.954 1.117 ( 1.895 1.248 0.000) 2.269 1.139 ( -0.468 1.625 0.000) 1.691 1.150 ( 0.485 1.579 0.000) 1.651 1.166 ( -0.251 -0.886 0.000) 0.921 1.200 ( 0.504 -0.988 0.000) 1.109 1.209 ( 0.773 -0.465 0.000) 0.902 1.222 ( -0.202 -1.148 0.000) 1.166 1.241 ( -0.081 -1.021 0.000) 1.025 1.244 ( 1.919 0.512 0.000) 1.987 1.252 ( -0.151 -0.933 0.000) 0.945 1.271 ( -0.531 1.208 0.000) 1.319 1.303 ( 1.272 1.240 0.000) 1.776 1.316 ( 1.516 0.836 0.000) 1.732 1.324 ( 0.824 -0.837 0.000) 1.175 1.335 ( 1.219 -2.085 0.000) 2.415 1.346 ( -0.351 0.384 0.000) 0.520 1.365 ( -0.249 0.011 0.000) 0.250 1.397 ( 0.416 -2.452 0.000) 2.487 1.398 ( 1.005 0.951 0.000) 1.384 1.416 ( 0.891 0.791 0.000) 1.192 1.427 ( 0.835 -2.024 0.000) 2.189 1.449 ( 0.395 0.190 0.000) 0.438 1.451 ( 0.955 -0.809 0.000) 1.252 1.504 ( 0.913 -0.872 0.000) 1.262 1.517 ( 1.110 0.262 0.000) 1.140 1.541 ( 0.307 -1.895 0.000) 1.920 1.557 ( 0.885 0.112 0.000) 0.892 1.564 ( 0.038 -0.636 0.000) 0.637 1.606 ( 2.059 -0.332 0.000) 2.086 1.615 ( -0.910 -1.272 0.000) 1.564 1.659 ( 0.324 -2.508 0.000) 2.528 1.771 ( -3.796 1.365 0.000) 4.034 1.776 ( -1.321 0.710 0.000) 1.500 1.797 ( -3.240 1.580 0.000) 3.605 1.816 ( -1.007 -0.960 0.000) 1.391 1.832 ( -2.856 -1.303 0.000) 3.139 1.858 ( -0.908 -0.113 0.000) 0.915 1.891 ( -0.126 -2.197 0.000) 2.201 1.911 ( -4.545 -1.355 0.000) 4.742 2.221 ( 1.709 -0.420 0.000) 1.760 2.246 ( 4.703 1.248 0.000) 4.865 2.255 ( 2.514 -1.256 0.000) 2.810 2.275 ( 5.361 -0.313 0.000) 5.370 2.293 ( -0.041 1.099 0.000) 1.100 2.347 ( 0.894 -1.767 0.000) 1.980 2.382 ( 5.458 0.313 0.000) 5.467 2.417 ( 5.411 1.357 0.000) 5.579 2.433 ( 0.177 2.705 0.000) 2.711 2.496 ( 1.502 0.437 0.000) 1.564 2.529 ( 2.308 5.046 0.000) 5.549 2.540 ( 5.339 -1.369 0.000) 5.512 2.547 ( 2.604 -0.010 0.000) 2.604 2.575 ( 5.859 1.286 0.000) 5.999 2.625 ( 3.114 -0.235 0.000) 3.123 2.754 ( 2.105 -0.539 0.000) 2.173 2.762 ( 3.805 -0.971 0.000) 3.927 2.770 ( 0.169 0.190 0.000) 0.254 2.789 ( -0.555 0.237 0.000) 0.603 2.885 ( 3.928 0.461 0.000) 3.955 2.898 ( 5.233 0.642 0.000) 5.273 2.939 ( -0.178 -1.094 0.000) 1.108 2.947 ( -0.723 -3.643 0.000) 3.714 3.016 ( -1.991 -1.598 0.000) 2.553 3.516 ( 0.730 0.468 0.000) 0.867 3.649 ( -3.235 -4.436 0.000) 5.490 3.664 ( -2.041 0.713 0.000) 2.162 3.688 ( -1.201 0.111 0.000) 1.206 3.690 ( -1.622 -0.117 0.000) 1.626 3.721 ( -2.296 -0.902 0.000) 2.467 3.807 ( -2.238 0.304 0.000) 2.259 3.827 ( -1.745 -0.762 0.000) 1.904 4.099 ( -0.802 2.583 0.000) 2.705 4.122 ( -0.749 1.415 0.000) 1.601 4.151 ( -0.259 -0.451 0.000) 0.520 4.175 ( -3.650 1.227 0.000) 3.851 4.236 ( -1.045 1.565 0.000) 1.882 4.241 ( -1.472 0.535 0.000) 1.566 4.266 ( -1.584 -0.146 0.000) 1.590 4.304 ( -3.014 -0.289 0.000) 3.027 4.502 ( 1.027 0.769 0.000) 1.283 4.533 ( 1.205 -0.486 0.000) 1.299 4.544 ( 0.780 -1.353 0.000) 1.562 4.570 ( -1.701 -1.196 0.000) 2.079 4.646 ( 0.967 2.525 0.000) 2.704 4.707 ( -0.064 2.308 0.000) 2.309 4.733 ( 1.178 -1.367 0.000) 1.805 4.853 ( -0.980 -4.151 0.000) 4.265 5.301 ( 0.999 -1.372 0.000) 1.697 5.312 ( 1.544 -1.778 0.000) 2.355 5.430 ( 0.373 -0.257 0.000) 0.453 5.436 ( 1.101 3.151 0.000) 3.338 5.499 ( -0.794 -1.817 0.000) 1.983 5.534 ( 0.460 -1.152 0.000) 1.241 5.555 ( 1.394 1.255 0.000) 1.876 5.603 ( 2.089 -0.031 0.000) 2.089 5.715 ( 2.769 1.054 0.000) 2.963 5.720 ( 1.109 3.533 0.000) 3.703 5.754 ( 0.785 6.700 0.000) 6.746 5.802 ( 2.285 1.375 0.000) 2.667 5.820 ( 2.786 -0.734 0.000) 2.881 5.854 ( 2.282 -2.954 0.000) 3.732 5.867 ( 1.202 -0.275 0.000) 1.233 6.023 ( 1.395 -4.430 0.000) 4.644 6.292 ( -1.781 0.300 0.000) 1.806 6.309 ( -1.802 0.127 0.000) 1.807 6.331 ( -2.819 1.160 0.000) 3.048 6.397 ( 0.762 2.158 0.000) 2.288 6.486 ( 0.881 -2.609 0.000) 2.754 6.487 ( 0.078 -1.540 0.000) 1.542 6.538 ( 3.999 -2.573 0.000) 4.755 6.608 ( 2.817 -2.896 0.000) 4.040 9.013 ( 3.608 0.738 0.000) 3.683 9.031 ( 2.403 0.261 0.000) 2.417 9.050 ( 2.569 0.174 0.000) 2.575 9.087 ( 3.712 -0.557 0.000) 3.754 9.091 ( 4.336 -2.709 0.000) 5.112 9.111 ( 2.283 -1.045 0.000) 2.511 9.154 ( 6.613 -0.798 0.000) 6.661 9.185 ( 7.233 -4.130 0.000) 8.329 9.358 ( -0.373 0.136 0.000) 0.397 9.378 ( 1.597 -0.795 0.000) 1.784 9.441 ( -1.499 4.355 0.000) 4.605 9.458 ( 0.035 1.349 0.000) 1.349 9.540 ( 1.199 -2.195 0.000) 2.501 9.585 ( -1.765 -1.905 0.000) 2.597 9.658 ( -6.867 3.420 0.000) 7.671 9.749 ( -3.797 -1.020 0.000) 3.932 10.453 ( 0.111 1.255 0.000) 1.260 10.467 ( 0.621 0.174 0.000) 0.645 10.474 ( 0.653 0.961 0.000) 1.162 10.505 ( 1.799 2.354 0.000) 2.962 10.513 ( -0.412 -0.492 0.000) 0.641 10.567 ( -0.689 1.476 0.000) 1.629 10.580 ( 0.781 -0.527 0.000) 0.942 10.597 ( 0.813 -0.194 0.000) 0.836 ======================= Grid point 11 (8/30) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 4.622 6.540 0.000) 8.008 0.403 ( 8.371 2.579 0.000) 8.760 0.504 ( 0.900 0.421 0.000) 0.993 0.559 ( 3.879 -0.917 0.000) 3.986 0.567 ( 3.559 -2.705 0.000) 4.471 0.581 ( 1.560 0.230 0.000) 1.577 0.604 ( 0.765 -2.267 0.000) 2.392 0.624 ( 1.291 0.412 0.000) 1.355 0.630 ( 5.253 0.121 0.000) 5.254 0.670 ( 2.750 -1.824 0.000) 3.300 0.682 ( 1.144 -0.270 0.000) 1.176 0.716 ( 1.736 -3.668 0.000) 4.058 0.795 ( 2.063 -1.340 0.000) 2.460 0.795 ( 4.176 0.470 0.000) 4.202 0.813 ( 1.943 0.019 0.000) 1.943 0.835 ( 3.320 -1.437 0.000) 3.618 0.861 ( 1.480 -1.389 0.000) 2.030 0.875 ( 2.973 -0.630 0.000) 3.039 0.906 ( 3.834 1.629 0.000) 4.166 0.928 ( 1.782 -0.456 0.000) 1.839 0.967 ( 1.716 0.290 0.000) 1.740 0.975 ( 3.770 0.874 0.000) 3.870 1.005 ( 1.502 0.743 0.000) 1.676 1.011 ( 0.369 2.379 0.000) 2.408 1.022 ( 1.937 -0.421 0.000) 1.982 1.042 ( 2.055 2.322 0.000) 3.101 1.071 ( 1.997 0.427 0.000) 2.042 1.073 ( -0.082 -0.049 0.000) 0.095 1.077 ( -0.288 1.015 0.000) 1.055 1.091 ( 2.116 0.483 0.000) 2.170 1.103 ( 0.419 -0.100 0.000) 0.431 1.120 ( 0.978 1.217 0.000) 1.561 1.136 ( 2.021 1.902 0.000) 2.775 1.137 ( -1.375 2.537 0.000) 2.886 1.147 ( 2.820 1.310 0.000) 3.110 1.177 ( 2.079 -0.265 0.000) 2.096 1.193 ( 3.467 -0.566 0.000) 3.513 1.198 ( -1.385 -0.313 0.000) 1.420 1.220 ( 1.664 -0.436 0.000) 1.721 1.224 ( 1.233 0.877 0.000) 1.513 1.242 ( 0.841 -1.056 0.000) 1.350 1.257 ( 1.010 1.659 0.000) 1.942 1.269 ( 0.377 -1.402 0.000) 1.452 1.277 ( -2.634 0.850 0.000) 2.768 1.313 ( 1.836 -0.991 0.000) 2.086 1.318 ( 1.831 0.713 0.000) 1.965 1.349 ( 2.949 0.259 0.000) 2.961 1.369 ( 2.819 0.617 0.000) 2.885 1.378 ( 0.355 -0.475 0.000) 0.593 1.391 ( 0.960 -0.609 0.000) 1.137 1.407 ( 2.583 -1.765 0.000) 3.129 1.427 ( 1.855 1.858 0.000) 2.625 1.438 ( 0.201 -0.105 0.000) 0.226 1.450 ( 2.419 0.707 0.000) 2.520 1.487 ( 0.306 -1.594 0.000) 1.623 1.489 ( 3.527 1.358 0.000) 3.779 1.506 ( 2.076 -1.061 0.000) 2.332 1.555 ( -0.327 -0.658 0.000) 0.735 1.560 ( 2.139 -0.534 0.000) 2.204 1.564 ( 1.091 -2.571 0.000) 2.793 1.580 ( -1.806 0.125 0.000) 1.810 1.594 ( 1.848 -0.723 0.000) 1.985 1.627 ( -0.850 0.017 0.000) 0.850 1.671 ( -0.164 -1.648 0.000) 1.656 1.686 ( -3.551 2.404 0.000) 4.288 1.732 ( -1.896 1.688 0.000) 2.539 1.741 ( -1.895 0.259 0.000) 1.913 1.774 ( -2.438 0.001 0.000) 2.438 1.792 ( -1.147 -1.676 0.000) 2.031 1.795 ( -5.156 -0.347 0.000) 5.167 1.857 ( -0.416 -2.099 0.000) 2.140 1.882 ( -0.836 -4.196 0.000) 4.278 2.270 ( 3.064 0.479 0.000) 3.101 2.304 ( 2.788 0.351 0.000) 2.810 2.331 ( 3.161 -0.168 0.000) 3.165 2.340 ( 4.357 0.992 0.000) 4.468 2.371 ( 1.733 -0.927 0.000) 1.966 2.395 ( 4.457 -2.192 0.000) 4.967 2.448 ( 2.575 2.501 0.000) 3.590 2.484 ( 3.595 0.553 0.000) 3.637 2.513 ( 4.119 2.763 0.000) 4.960 2.541 ( 2.869 0.404 0.000) 2.897 2.579 ( 2.936 4.808 0.000) 5.633 2.595 ( 2.660 -0.665 0.000) 2.742 2.676 ( 0.417 0.696 0.000) 0.812 2.701 ( 3.480 0.086 0.000) 3.481 2.704 ( 9.322 -2.724 0.000) 9.712 2.788 ( 1.841 -0.771 0.000) 1.996 2.812 ( 5.969 0.053 0.000) 5.969 2.833 ( 6.083 -0.761 0.000) 6.130 2.854 ( 3.249 -1.853 0.000) 3.740 2.890 ( -2.176 -2.948 0.000) 3.664 2.969 ( 2.050 0.897 0.000) 2.237 2.972 ( 5.182 1.273 0.000) 5.336 3.022 ( 6.754 -0.591 0.000) 6.779 3.035 ( 5.087 -1.763 0.000) 5.384 3.538 ( 1.381 -0.069 0.000) 1.383 3.594 ( -1.957 -2.201 0.000) 2.946 3.615 ( -2.650 1.213 0.000) 2.915 3.650 ( -2.239 -0.119 0.000) 2.242 3.652 ( -2.627 -0.042 0.000) 2.628 3.667 ( -2.551 0.002 0.000) 2.551 3.748 ( -3.465 0.649 0.000) 3.525 3.771 ( -3.672 -0.358 0.000) 3.690 4.089 ( 0.171 1.604 0.000) 1.613 4.109 ( -0.530 0.841 0.000) 0.994 4.129 ( -1.019 0.489 0.000) 1.130 4.146 ( -0.183 -1.231 0.000) 1.245 4.210 ( -1.534 0.748 0.000) 1.706 4.217 ( -0.944 0.167 0.000) 0.959 4.237 ( -1.229 0.034 0.000) 1.230 4.243 ( -2.982 -0.266 0.000) 2.994 4.520 ( 0.555 0.845 0.000) 1.011 4.534 ( -1.736 -0.093 0.000) 1.738 4.553 ( -0.136 -0.459 0.000) 0.479 4.557 ( 0.655 -1.483 0.000) 1.621 4.671 ( 1.442 1.699 0.000) 2.228 4.715 ( 0.614 1.491 0.000) 1.613 4.746 ( 0.217 -1.421 0.000) 1.437 4.807 ( -2.744 -2.476 0.000) 3.696 5.321 ( 1.055 -0.298 0.000) 1.096 5.354 ( 2.349 -1.858 0.000) 2.995 5.429 ( -0.234 0.271 0.000) 0.358 5.466 ( 1.823 2.051 0.000) 2.743 5.487 ( -0.351 -1.950 0.000) 1.981 5.538 ( -0.177 -0.907 0.000) 0.925 5.566 ( 0.043 2.202 0.000) 2.202 5.649 ( 1.071 -1.105 0.000) 1.539 5.781 ( 3.132 4.680 0.000) 5.631 5.786 ( 3.966 0.562 0.000) 4.006 5.806 ( 4.868 2.991 0.000) 5.714 5.865 ( 3.692 -0.560 0.000) 3.734 5.878 ( 2.623 0.881 0.000) 2.767 5.897 ( 2.192 -2.137 0.000) 3.061 5.907 ( 3.066 -0.188 0.000) 3.072 5.998 ( -2.310 -1.180 0.000) 2.594 6.260 ( -1.321 0.554 0.000) 1.433 6.275 ( -1.335 0.524 0.000) 1.434 6.278 ( -2.430 2.997 0.000) 3.858 6.402 ( -0.362 1.344 0.000) 1.392 6.474 ( -1.353 -1.326 0.000) 1.895 6.482 ( -1.249 -0.341 0.000) 1.295 6.554 ( -2.180 -4.757 0.000) 5.232 6.633 ( -0.465 -3.259 0.000) 3.292 9.094 ( 3.778 0.273 0.000) 3.787 9.095 ( 3.528 0.215 0.000) 3.535 9.125 ( 4.223 0.300 0.000) 4.233 9.144 ( 1.913 -0.011 0.000) 1.913 9.158 ( 2.276 -0.457 0.000) 2.322 9.171 ( 3.578 -1.835 0.000) 4.021 9.265 ( 0.969 -1.333 0.000) 1.648 9.273 ( 4.419 -1.063 0.000) 4.545 9.350 ( -0.282 0.964 0.000) 1.004 9.409 ( -1.509 3.988 0.000) 4.264 9.418 ( 1.885 -1.689 0.000) 2.531 9.470 ( 1.471 1.407 0.000) 2.035 9.519 ( -5.601 3.093 0.000) 6.399 9.554 ( -1.692 -1.694 0.000) 2.394 9.567 ( 1.245 -2.817 0.000) 3.080 9.681 ( -3.159 -3.101 0.000) 4.427 10.470 ( 1.720 1.119 0.000) 2.052 10.489 ( 1.666 0.115 0.000) 1.670 10.496 ( 1.700 0.676 0.000) 1.830 10.513 ( 0.573 0.017 0.000) 0.574 10.549 ( 2.558 1.423 0.000) 2.927 10.577 ( 1.469 1.260 0.000) 1.935 10.603 ( 1.511 -0.547 0.000) 1.607 10.625 ( 1.698 -0.703 0.000) 1.838 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 4.162 3.762 0.000) 5.610 0.515 ( 1.697 0.933 0.000) 1.937 0.567 ( 5.193 -1.638 0.000) 5.445 0.597 ( 0.678 0.339 0.000) 0.758 0.610 ( 2.850 2.632 0.000) 3.880 0.628 ( 0.814 -0.919 0.000) 1.228 0.638 ( 2.167 0.911 0.000) 2.351 0.680 ( 4.361 -0.447 0.000) 4.384 0.684 ( 1.071 1.523 0.000) 1.862 0.750 ( 2.330 -2.797 0.000) 3.641 0.755 ( 5.065 -3.250 0.000) 6.018 0.773 ( 5.833 -0.462 0.000) 5.851 0.816 ( 0.839 0.317 0.000) 0.897 0.839 ( 1.645 -0.469 0.000) 1.711 0.857 ( 1.609 -0.965 0.000) 1.876 0.883 ( 2.095 0.638 0.000) 2.190 0.902 ( 2.219 -0.280 0.000) 2.237 0.933 ( 1.438 -2.536 0.000) 2.916 0.955 ( 1.328 0.242 0.000) 1.350 0.968 ( 1.425 3.161 0.000) 3.467 0.997 ( 0.399 0.055 0.000) 0.403 0.999 ( 0.142 0.677 0.000) 0.692 1.002 ( -0.126 0.196 0.000) 0.233 1.036 ( -0.028 -0.065 0.000) 0.070 1.042 ( -1.373 0.424 0.000) 1.437 1.045 ( 1.370 0.276 0.000) 1.397 1.056 ( -1.308 0.413 0.000) 1.372 1.061 ( -0.657 0.940 0.000) 1.147 1.099 ( -0.473 -0.123 0.000) 0.489 1.099 ( 0.959 0.796 0.000) 1.247 1.111 ( 1.935 0.786 0.000) 2.089 1.127 ( 1.587 -1.585 0.000) 2.243 1.140 ( -1.537 0.110 0.000) 1.541 1.162 ( 2.124 -0.848 0.000) 2.287 1.189 ( 0.249 1.280 0.000) 1.305 1.200 ( 0.707 1.552 0.000) 1.705 1.205 ( 1.266 0.515 0.000) 1.366 1.215 ( -0.826 1.476 0.000) 1.692 1.243 ( 1.944 -0.849 0.000) 2.121 1.250 ( 0.239 -0.249 0.000) 0.345 1.260 ( 0.678 0.302 0.000) 0.742 1.271 ( 1.505 1.074 0.000) 1.849 1.300 ( 2.112 0.413 0.000) 2.152 1.315 ( -0.092 -1.358 0.000) 1.361 1.348 ( 2.414 -0.850 0.000) 2.560 1.359 ( 2.321 0.210 0.000) 2.330 1.376 ( 0.804 1.040 0.000) 1.314 1.388 ( 3.533 1.501 0.000) 3.839 1.417 ( 0.919 -0.606 0.000) 1.101 1.422 ( -1.443 1.018 0.000) 1.766 1.430 ( 1.038 0.628 0.000) 1.213 1.439 ( 0.832 0.227 0.000) 0.863 1.461 ( -1.736 -0.217 0.000) 1.750 1.498 ( 2.743 1.360 0.000) 3.061 1.506 ( 2.254 -0.560 0.000) 2.323 1.522 ( -1.605 -0.498 0.000) 1.680 1.532 ( -2.063 0.235 0.000) 2.077 1.552 ( -0.114 1.068 0.000) 1.074 1.570 ( 0.056 -1.816 0.000) 1.817 1.580 ( -1.081 1.268 0.000) 1.666 1.581 ( 3.881 -1.303 0.000) 4.094 1.608 ( 3.213 1.941 0.000) 3.754 1.629 ( -1.556 0.219 0.000) 1.571 1.643 ( 2.778 -1.744 0.000) 3.280 1.678 ( 0.965 -0.425 0.000) 1.054 1.706 ( -2.232 -0.159 0.000) 2.237 1.721 ( -0.184 -0.493 0.000) 0.526 1.739 ( 0.970 -0.574 0.000) 1.127 1.761 ( 0.164 -0.161 0.000) 0.230 1.787 ( 0.876 -1.909 0.000) 2.100 1.853 ( -0.197 -2.570 0.000) 2.577 1.860 ( -1.291 -5.317 0.000) 5.472 2.338 ( 3.576 0.332 0.000) 3.591 2.361 ( 2.711 -0.149 0.000) 2.715 2.403 ( 3.848 -0.227 0.000) 3.855 2.408 ( 2.443 -0.019 0.000) 2.443 2.418 ( 3.067 -0.357 0.000) 3.088 2.438 ( 1.045 -1.324 0.000) 1.687 2.507 ( 1.683 -0.145 0.000) 1.689 2.519 ( 0.612 0.119 0.000) 0.624 2.573 ( 1.600 4.040 0.000) 4.345 2.589 ( 1.597 0.944 0.000) 1.855 2.623 ( 1.484 3.982 0.000) 4.249 2.643 ( 1.955 -0.487 0.000) 2.015 2.656 ( -1.605 0.879 0.000) 1.830 2.713 ( -0.787 -0.745 0.000) 1.083 2.759 ( -3.172 -3.346 0.000) 4.610 2.778 ( -3.174 -2.403 0.000) 3.981 2.942 ( 6.636 -0.352 0.000) 6.645 2.951 ( 7.717 -0.495 0.000) 7.733 2.973 ( 7.787 -0.174 0.000) 7.789 2.980 ( 7.432 -0.436 0.000) 7.445 3.085 ( 7.241 1.242 0.000) 7.347 3.092 ( 6.576 1.608 0.000) 6.770 3.147 ( 5.449 -0.631 0.000) 5.486 3.151 ( 5.588 -1.260 0.000) 5.728 3.552 ( -1.173 0.502 0.000) 1.276 3.574 ( 0.146 -0.334 0.000) 0.365 3.588 ( 0.807 0.241 0.000) 0.842 3.593 ( -2.946 0.436 0.000) 2.978 3.613 ( -1.048 0.046 0.000) 1.049 3.620 ( -2.410 -0.226 0.000) 2.421 3.685 ( -2.642 0.746 0.000) 2.745 3.699 ( -3.118 0.045 0.000) 3.118 4.104 ( 0.165 0.589 0.000) 0.612 4.110 ( 1.836 0.746 0.000) 1.982 4.126 ( 0.568 0.153 0.000) 0.589 4.146 ( 0.104 -1.570 0.000) 1.574 4.180 ( -1.562 -0.094 0.000) 1.564 4.195 ( -1.624 -0.043 0.000) 1.625 4.200 ( -0.875 0.082 0.000) 0.879 4.217 ( -0.811 0.063 0.000) 0.814 4.501 ( -1.547 0.944 0.000) 1.812 4.516 ( -1.065 1.029 0.000) 1.481 4.533 ( -1.737 0.629 0.000) 1.847 4.541 ( -2.181 -0.755 0.000) 2.308 4.702 ( 1.659 0.447 0.000) 1.719 4.728 ( 0.760 -0.099 0.000) 0.767 4.749 ( 0.204 -1.342 0.000) 1.358 4.768 ( -1.105 -1.560 0.000) 1.911 5.345 ( 1.527 0.767 0.000) 1.709 5.394 ( 1.524 -1.237 0.000) 1.963 5.423 ( -0.428 0.582 0.000) 0.723 5.480 ( -0.658 -1.835 0.000) 1.949 5.507 ( 2.206 0.663 0.000) 2.303 5.529 ( -0.572 -0.011 0.000) 0.572 5.559 ( -0.759 2.158 0.000) 2.288 5.627 ( -2.696 -0.905 0.000) 2.844 5.839 ( 2.705 3.498 0.000) 4.421 5.858 ( 3.157 0.125 0.000) 3.159 5.907 ( 4.419 1.690 0.000) 4.731 5.908 ( 1.229 -0.315 0.000) 1.268 5.944 ( 2.204 -0.300 0.000) 2.224 5.952 ( 4.043 0.488 0.000) 4.072 5.969 ( 0.001 -0.519 0.000) 0.519 5.970 ( 2.710 -0.321 0.000) 2.729 6.241 ( -1.132 3.391 0.000) 3.575 6.245 ( -0.174 0.945 0.000) 0.961 6.262 ( 0.187 0.888 0.000) 0.908 6.387 ( -0.845 0.151 0.000) 0.858 6.435 ( -3.513 1.596 0.000) 3.858 6.441 ( -1.637 -1.465 0.000) 2.197 6.488 ( -3.731 -5.089 0.000) 6.310 6.585 ( -4.064 -3.727 0.000) 5.514 9.139 ( 1.118 0.103 0.000) 1.123 9.152 ( 1.875 0.102 0.000) 1.878 9.172 ( 1.519 0.328 0.000) 1.554 9.186 ( 1.264 0.347 0.000) 1.311 9.211 ( 2.883 -0.734 0.000) 2.975 9.217 ( 0.736 -0.565 0.000) 0.927 9.253 ( -1.229 0.237 0.000) 1.251 9.319 ( 0.449 -1.693 0.000) 1.752 9.352 ( 0.546 1.852 0.000) 1.931 9.385 ( -0.923 3.495 0.000) 3.614 9.437 ( -2.312 2.999 0.000) 3.787 9.441 ( 0.626 -0.378 0.000) 0.731 9.511 ( 2.117 -0.485 0.000) 2.172 9.543 ( 0.339 -2.175 0.000) 2.201 9.580 ( 0.054 -2.401 0.000) 2.402 9.627 ( -2.271 -3.630 0.000) 4.282 10.515 ( 2.537 0.787 0.000) 2.656 10.531 ( 2.331 0.083 0.000) 2.333 10.535 ( 1.574 0.310 0.000) 1.604 10.539 ( 2.306 0.184 0.000) 2.313 10.602 ( 2.639 0.728 0.000) 2.738 10.612 ( 1.818 0.988 0.000) 2.069 10.633 ( 1.395 -0.398 0.000) 1.450 10.656 ( 1.230 -0.675 0.000) 1.403 ======================= Grid point 13 (10/30) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 2.907 2.124 0.000) 3.600 0.555 ( 2.275 0.771 0.000) 2.403 0.590 ( -1.143 0.887 0.000) 1.447 0.595 ( -1.194 0.532 0.000) 1.308 0.642 ( 0.839 2.467 0.000) 2.606 0.656 ( -0.028 2.589 0.000) 2.589 0.669 ( 1.689 1.788 0.000) 2.460 0.691 ( -0.447 2.360 0.000) 2.402 0.774 ( 4.248 -1.410 0.000) 4.475 0.823 ( 0.084 -2.347 0.000) 2.349 0.828 ( 4.492 -1.728 0.000) 4.813 0.844 ( 1.907 -0.426 0.000) 1.954 0.845 ( 2.161 -1.423 0.000) 2.587 0.872 ( 0.035 0.078 0.000) 0.085 0.876 ( 0.449 -0.453 0.000) 0.638 0.894 ( -0.150 0.072 0.000) 0.167 0.929 ( 0.740 -0.453 0.000) 0.867 0.955 ( 2.605 0.173 0.000) 2.610 0.963 ( -2.232 0.048 0.000) 2.233 0.967 ( -0.197 1.320 0.000) 1.335 0.984 ( -0.481 1.060 0.000) 1.164 0.999 ( -0.009 -0.153 0.000) 0.153 1.015 ( 0.402 -0.656 0.000) 0.770 1.015 ( -2.410 0.679 0.000) 2.504 1.036 ( 0.339 -0.770 0.000) 0.842 1.048 ( -0.683 0.483 0.000) 0.837 1.062 ( 1.661 -0.647 0.000) 1.783 1.070 ( 0.974 -0.935 0.000) 1.351 1.097 ( -0.363 -1.579 0.000) 1.620 1.097 ( -0.526 -0.518 0.000) 0.738 1.136 ( 1.562 0.915 0.000) 1.811 1.142 ( 1.113 0.051 0.000) 1.114 1.154 ( 0.230 -0.933 0.000) 0.961 1.175 ( -1.640 1.272 0.000) 2.076 1.185 ( 1.086 0.520 0.000) 1.204 1.198 ( -0.409 0.858 0.000) 0.950 1.233 ( 1.436 0.119 0.000) 1.441 1.243 ( 2.062 1.959 0.000) 2.844 1.252 ( -0.531 -0.588 0.000) 0.792 1.253 ( 0.704 -0.692 0.000) 0.988 1.264 ( -0.687 1.398 0.000) 1.558 1.295 ( -1.984 -1.593 0.000) 2.544 1.314 ( 2.707 0.388 0.000) 2.735 1.342 ( 2.208 0.068 0.000) 2.209 1.355 ( -0.569 0.343 0.000) 0.664 1.379 ( -0.353 1.578 0.000) 1.617 1.391 ( -0.487 -0.380 0.000) 0.618 1.395 ( 0.656 1.848 0.000) 1.961 1.402 ( -1.452 -0.087 0.000) 1.454 1.419 ( -1.740 -1.153 0.000) 2.088 1.430 ( 0.172 0.019 0.000) 0.173 1.446 ( -0.350 -0.738 0.000) 0.817 1.470 ( 1.435 0.944 0.000) 1.718 1.485 ( -0.678 0.708 0.000) 0.980 1.496 ( -0.679 0.425 0.000) 0.802 1.504 ( -1.189 -0.486 0.000) 1.285 1.529 ( 0.181 0.404 0.000) 0.443 1.534 ( -0.639 2.646 0.000) 2.722 1.576 ( 0.480 1.417 0.000) 1.496 1.583 ( -0.025 2.212 0.000) 2.212 1.637 ( 1.386 -1.929 0.000) 2.375 1.641 ( 1.529 -1.923 0.000) 2.457 1.678 ( 2.848 1.502 0.000) 3.220 1.685 ( -0.006 -0.396 0.000) 0.396 1.690 ( 0.055 -0.226 0.000) 0.233 1.701 ( 1.409 0.174 0.000) 1.420 1.738 ( 1.623 -1.838 0.000) 2.453 1.754 ( 0.349 -1.163 0.000) 1.214 1.772 ( 1.149 -2.674 0.000) 2.910 1.802 ( -0.511 -3.780 0.000) 3.814 1.838 ( -0.322 -3.529 0.000) 3.543 1.846 ( -0.521 -2.209 0.000) 2.270 2.399 ( 2.433 -0.438 0.000) 2.472 2.411 ( 2.297 -0.543 0.000) 2.361 2.432 ( -0.372 -0.864 0.000) 0.940 2.440 ( -0.757 -1.274 0.000) 1.482 2.464 ( 2.424 -0.078 0.000) 2.426 2.487 ( 3.213 -0.933 0.000) 3.345 2.500 ( -1.281 0.156 0.000) 1.290 2.527 ( -0.602 -1.606 0.000) 1.715 2.590 ( 0.627 3.500 0.000) 3.556 2.603 ( -0.286 1.842 0.000) 1.864 2.632 ( -0.020 2.076 0.000) 2.076 2.639 ( 0.112 2.942 0.000) 2.944 2.674 ( 1.014 -0.882 0.000) 1.344 2.694 ( -0.489 -0.501 0.000) 0.700 2.696 ( -2.303 -1.318 0.000) 2.653 2.716 ( -2.433 -0.521 0.000) 2.489 3.050 ( 4.017 -0.088 0.000) 4.018 3.076 ( 1.909 -0.061 0.000) 1.910 3.080 ( 3.697 -1.170 0.000) 3.877 3.086 ( 2.872 -0.539 0.000) 2.922 3.196 ( 3.495 0.724 0.000) 3.570 3.202 ( 3.799 0.734 0.000) 3.869 3.218 ( 1.383 0.048 0.000) 1.383 3.226 ( 1.539 -0.323 0.000) 1.572 3.531 ( -0.335 1.216 0.000) 1.261 3.544 ( -1.738 0.944 0.000) 1.978 3.573 ( -0.135 -0.496 0.000) 0.514 3.581 ( -1.196 -0.352 0.000) 1.247 3.616 ( 1.286 0.380 0.000) 1.341 3.626 ( 1.891 0.002 0.000) 1.891 3.643 ( -1.640 0.593 0.000) 1.744 3.658 ( -1.383 -0.108 0.000) 1.387 4.117 ( 1.032 0.356 0.000) 1.092 4.136 ( 0.294 -0.091 0.000) 0.308 4.142 ( -0.336 -0.161 0.000) 0.372 4.147 ( -0.080 -1.209 0.000) 1.211 4.164 ( 1.153 0.189 0.000) 1.168 4.181 ( 0.290 -0.268 0.000) 0.395 4.182 ( -0.870 0.097 0.000) 0.875 4.201 ( -0.986 -0.112 0.000) 0.992 4.478 ( -0.553 1.333 0.000) 1.443 4.487 ( -1.379 1.239 0.000) 1.854 4.496 ( -1.527 0.718 0.000) 1.687 4.498 ( -1.398 1.250 0.000) 1.876 4.732 ( 1.278 -0.567 0.000) 1.398 4.743 ( 0.591 -1.020 0.000) 1.179 4.752 ( -0.020 -1.260 0.000) 1.260 4.753 ( -0.623 -1.188 0.000) 1.342 5.386 ( 2.622 0.907 0.000) 2.775 5.412 ( 0.502 -0.058 0.000) 0.506 5.414 ( -0.433 0.590 0.000) 0.732 5.449 ( -2.623 -0.555 0.000) 2.681 5.523 ( 0.095 0.679 0.000) 0.686 5.535 ( -1.231 1.543 0.000) 1.974 5.548 ( 1.837 -0.313 0.000) 1.864 5.580 ( -1.713 -0.442 0.000) 1.770 5.884 ( 1.800 1.952 0.000) 2.655 5.901 ( 0.643 0.491 0.000) 0.809 5.925 ( 0.851 0.118 0.000) 0.859 5.942 ( -0.484 0.098 0.000) 0.494 5.981 ( 2.063 0.704 0.000) 2.180 5.999 ( 0.412 0.254 0.000) 0.483 6.005 ( 1.918 0.057 0.000) 1.919 6.013 ( 1.390 -0.060 0.000) 1.391 6.235 ( 0.435 2.547 0.000) 2.584 6.245 ( -0.189 1.543 0.000) 1.555 6.286 ( 2.307 1.601 0.000) 2.808 6.354 ( -4.249 1.955 0.000) 4.677 6.384 ( 0.863 -1.874 0.000) 2.063 6.422 ( -2.813 -4.023 0.000) 4.909 6.432 ( 1.284 -2.340 0.000) 2.669 6.494 ( -4.543 -3.314 0.000) 5.623 9.158 ( 0.990 0.537 0.000) 1.126 9.175 ( 1.021 1.170 0.000) 1.553 9.180 ( -1.135 0.677 0.000) 1.322 9.200 ( -1.522 1.278 0.000) 1.987 9.208 ( 1.758 -0.853 0.000) 1.954 9.236 ( -1.000 -1.025 0.000) 1.432 9.260 ( 2.145 -1.756 0.000) 2.772 9.300 ( -1.890 -2.397 0.000) 3.053 9.368 ( 0.858 2.507 0.000) 2.650 9.378 ( -0.115 2.945 0.000) 2.947 9.426 ( 0.646 2.656 0.000) 2.734 9.442 ( -0.585 1.329 0.000) 1.452 9.544 ( 1.183 -2.323 0.000) 2.607 9.553 ( 0.259 -2.501 0.000) 2.514 9.577 ( -0.038 -1.792 0.000) 1.792 9.590 ( -1.417 -2.575 0.000) 2.939 10.556 ( 1.292 0.604 0.000) 1.426 10.561 ( 0.754 0.491 0.000) 0.899 10.570 ( 1.334 0.037 0.000) 1.335 10.575 ( 0.926 -0.041 0.000) 0.927 10.642 ( 1.077 0.570 0.000) 1.218 10.647 ( 1.752 0.116 0.000) 1.756 10.651 ( 0.253 -0.008 0.000) 0.253 10.667 ( -0.202 -0.373 0.000) 0.424 ======================= Grid point 18 (11/30) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 0.000 -8.283 0.000) 8.283 0.385 ( 0.000 8.283 0.000) 8.283 0.433 ( 0.000 -5.266 0.000) 5.266 0.433 ( 0.000 5.266 0.000) 5.266 0.445 ( 0.000 -3.162 0.000) 3.162 0.445 ( 0.000 3.162 0.000) 3.162 0.530 ( 0.000 -5.302 0.000) 5.302 0.530 ( 0.000 5.302 0.000) 5.302 0.615 ( 0.000 -5.861 0.000) 5.861 0.615 ( 0.000 5.861 0.000) 5.861 0.657 ( 0.000 -3.131 0.000) 3.131 0.657 ( 0.000 3.131 0.000) 3.131 0.695 ( 0.000 -9.627 0.000) 9.627 0.695 ( 0.000 9.627 0.000) 9.627 0.780 ( 0.000 -0.362 0.000) 0.362 0.780 ( 0.000 0.362 0.000) 0.362 0.805 ( 0.000 -0.685 0.000) 0.685 0.805 ( 0.000 0.685 0.000) 0.685 0.844 ( 0.000 -1.386 0.000) 1.386 0.844 ( 0.000 1.386 0.000) 1.386 0.892 ( 0.000 -0.686 0.000) 0.686 0.892 ( 0.000 0.686 0.000) 0.686 0.968 ( 0.000 -0.384 0.000) 0.384 0.968 ( 0.000 0.384 0.000) 0.384 0.975 ( 0.000 -0.558 0.000) 0.558 0.975 ( 0.000 0.558 0.000) 0.558 0.997 ( 0.000 -2.295 0.000) 2.295 0.997 ( 0.000 2.295 0.000) 2.295 1.051 ( 0.000 -2.914 0.000) 2.914 1.051 ( 0.000 2.914 0.000) 2.914 1.102 ( 0.000 -2.988 0.000) 2.988 1.102 ( 0.000 2.988 0.000) 2.988 1.113 ( 0.000 -1.894 0.000) 1.894 1.113 ( 0.000 1.894 0.000) 1.894 1.119 ( 0.000 -3.444 0.000) 3.444 1.119 ( 0.000 3.444 0.000) 3.444 1.157 ( 0.000 -3.987 0.000) 3.987 1.157 ( 0.000 3.987 0.000) 3.987 1.198 ( 0.000 -1.805 0.000) 1.805 1.198 ( 0.000 1.805 0.000) 1.805 1.249 ( 0.000 -2.504 0.000) 2.504 1.249 ( 0.000 2.504 0.000) 2.504 1.271 ( 0.000 -1.045 0.000) 1.045 1.271 ( 0.000 1.045 0.000) 1.045 1.274 ( 0.000 -2.018 0.000) 2.018 1.274 ( 0.000 2.018 0.000) 2.018 1.328 ( 0.000 -0.870 0.000) 0.870 1.328 ( 0.000 0.870 0.000) 0.870 1.349 ( 0.000 -3.226 0.000) 3.226 1.349 ( 0.000 3.226 0.000) 3.226 1.361 ( 0.000 -3.029 0.000) 3.029 1.361 ( 0.000 3.029 0.000) 3.029 1.422 ( 0.000 -2.394 0.000) 2.394 1.422 ( 0.000 2.394 0.000) 2.394 1.424 ( 0.000 -1.294 0.000) 1.294 1.424 ( 0.000 1.294 0.000) 1.294 1.505 ( 0.000 -1.406 0.000) 1.406 1.505 ( 0.000 1.406 0.000) 1.406 1.532 ( 0.000 -1.971 0.000) 1.971 1.532 ( 0.000 1.971 0.000) 1.971 1.580 ( 0.000 -2.081 0.000) 2.081 1.580 ( 0.000 2.081 0.000) 2.081 1.596 ( 0.000 -2.414 0.000) 2.414 1.596 ( 0.000 2.414 0.000) 2.414 1.810 ( 0.000 -2.497 0.000) 2.497 1.810 ( 0.000 2.497 0.000) 2.497 1.818 ( 0.000 -0.004 0.000) 0.004 1.818 ( 0.000 0.004 0.000) 0.004 1.863 ( 0.000 -1.592 0.000) 1.592 1.863 ( 0.000 1.592 0.000) 1.592 1.912 ( 0.000 -2.594 0.000) 2.594 1.912 ( 0.000 2.594 0.000) 2.594 2.198 ( 0.000 -0.338 0.000) 0.338 2.198 ( 0.000 0.338 0.000) 0.338 2.251 ( 0.000 -2.386 0.000) 2.386 2.251 ( 0.000 2.386 0.000) 2.386 2.313 ( 0.000 -0.909 0.000) 0.909 2.313 ( 0.000 0.909 0.000) 0.909 2.317 ( 0.000 -2.308 0.000) 2.308 2.317 ( 0.000 2.308 0.000) 2.308 2.485 ( 0.000 -0.754 0.000) 0.754 2.485 ( 0.000 0.754 0.000) 0.754 2.503 ( 0.000 -1.284 0.000) 1.284 2.503 ( 0.000 1.284 0.000) 1.284 2.571 ( 0.000 -2.844 0.000) 2.844 2.571 ( 0.000 2.844 0.000) 2.844 2.613 ( 0.000 -4.935 0.000) 4.935 2.613 ( 0.000 4.935 0.000) 4.935 2.791 ( 0.000 -1.177 0.000) 1.177 2.791 ( 0.000 1.177 0.000) 1.177 2.839 ( 0.000 -6.138 0.000) 6.138 2.839 ( 0.000 6.138 0.000) 6.138 2.849 ( 0.000 -0.246 0.000) 0.246 2.849 ( 0.000 0.246 0.000) 0.246 2.982 ( 0.000 -2.884 0.000) 2.884 2.982 ( 0.000 2.884 0.000) 2.884 3.563 ( 0.000 -4.795 0.000) 4.795 3.563 ( 0.000 4.795 0.000) 4.795 3.700 ( 0.000 -0.593 0.000) 0.593 3.700 ( 0.000 0.593 0.000) 0.593 3.714 ( 0.000 -1.243 0.000) 1.243 3.714 ( 0.000 1.243 0.000) 1.243 3.832 ( 0.000 -0.212 0.000) 0.212 3.832 ( 0.000 0.212 0.000) 0.212 4.154 ( 0.000 -0.320 0.000) 0.320 4.154 ( 0.000 0.320 0.000) 0.320 4.194 ( 0.000 -3.900 0.000) 3.900 4.194 ( 0.000 3.900 0.000) 3.900 4.276 ( 0.000 -0.717 0.000) 0.717 4.276 ( 0.000 0.717 0.000) 0.717 4.301 ( 0.000 -3.617 0.000) 3.617 4.301 ( 0.000 3.617 0.000) 3.617 4.509 ( 0.000 -0.977 0.000) 0.977 4.509 ( 0.000 0.977 0.000) 0.977 4.551 ( 0.000 -1.930 0.000) 1.930 4.551 ( 0.000 1.930 0.000) 1.930 4.683 ( 0.000 -1.955 0.000) 1.955 4.683 ( 0.000 1.955 0.000) 1.955 4.765 ( 0.000 -3.293 0.000) 3.293 4.765 ( 0.000 3.293 0.000) 3.293 5.274 ( 0.000 -0.342 0.000) 0.342 5.274 ( 0.000 0.342 0.000) 0.342 5.449 ( 0.000 -2.690 0.000) 2.690 5.449 ( 0.000 2.690 0.000) 2.690 5.491 ( 0.000 -2.554 0.000) 2.554 5.491 ( 0.000 2.554 0.000) 2.554 5.571 ( 0.000 -2.076 0.000) 2.076 5.571 ( 0.000 2.076 0.000) 2.076 5.732 ( 0.000 -2.722 0.000) 2.722 5.732 ( 0.000 2.722 0.000) 2.722 5.805 ( 0.000 -1.901 0.000) 1.901 5.805 ( 0.000 1.901 0.000) 1.901 5.832 ( 0.000 -1.728 0.000) 1.728 5.832 ( 0.000 1.728 0.000) 1.728 5.847 ( 0.000 -0.680 0.000) 0.680 5.847 ( 0.000 0.680 0.000) 0.680 6.324 ( 0.000 -0.335 0.000) 0.335 6.324 ( 0.000 0.335 0.000) 0.335 6.391 ( 0.000 -2.199 0.000) 2.199 6.391 ( 0.000 2.199 0.000) 2.199 6.438 ( 0.000 -2.408 0.000) 2.408 6.438 ( 0.000 2.408 0.000) 2.408 6.531 ( 0.000 -2.279 0.000) 2.279 6.531 ( 0.000 2.279 0.000) 2.279 8.994 ( 0.000 -1.068 0.000) 1.068 8.994 ( 0.000 1.068 0.000) 1.068 9.031 ( 0.000 -2.013 0.000) 2.013 9.031 ( 0.000 2.013 0.000) 2.013 9.054 ( 0.000 -1.529 0.000) 1.529 9.054 ( 0.000 1.529 0.000) 1.529 9.064 ( 0.000 -1.081 0.000) 1.081 9.064 ( 0.000 1.081 0.000) 1.081 9.358 ( 0.000 -0.011 0.000) 0.011 9.358 ( 0.000 0.011 0.000) 0.011 9.491 ( 0.000 -1.760 0.000) 1.760 9.491 ( 0.000 1.760 0.000) 1.760 9.548 ( 0.000 -3.655 0.000) 3.655 9.548 ( 0.000 3.655 0.000) 3.655 9.767 ( 0.000 -2.178 0.000) 2.178 9.767 ( 0.000 2.178 0.000) 2.178 10.463 ( 0.000 -0.055 0.000) 0.055 10.463 ( 0.000 0.055 0.000) 0.055 10.493 ( 0.000 -1.401 0.000) 1.401 10.493 ( 0.000 1.401 0.000) 1.401 10.548 ( 0.000 -2.126 0.000) 2.126 10.548 ( 0.000 2.126 0.000) 2.126 10.590 ( 0.000 -0.804 0.000) 0.804 10.590 ( 0.000 0.804 0.000) 0.804 ======================= Grid point 20 (12/30) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 2.189 -6.786 0.000) 7.130 0.406 ( 2.189 6.786 0.000) 7.130 0.470 ( 2.938 -5.655 0.000) 6.373 0.470 ( 2.938 5.655 0.000) 6.373 0.496 ( 3.854 -2.005 0.000) 4.344 0.496 ( 3.854 2.005 0.000) 4.344 0.532 ( 0.568 -4.017 0.000) 4.057 0.532 ( 0.568 4.017 0.000) 4.057 0.615 ( 1.142 -4.139 0.000) 4.293 0.615 ( 1.142 4.139 0.000) 4.293 0.640 ( -0.788 -1.901 0.000) 2.057 0.640 ( -0.788 1.901 0.000) 2.057 0.764 ( 5.435 -6.926 0.000) 8.804 0.764 ( 5.435 6.926 0.000) 8.804 0.788 ( 0.763 -1.004 0.000) 1.260 0.788 ( 0.763 1.004 0.000) 1.260 0.805 ( 0.103 -1.936 0.000) 1.939 0.805 ( 0.103 1.936 0.000) 1.939 0.851 ( 1.986 -1.254 0.000) 2.349 0.851 ( 1.986 1.254 0.000) 2.349 0.922 ( 3.317 -1.405 0.000) 3.602 0.922 ( 3.317 1.405 0.000) 3.602 0.985 ( 1.864 -1.786 0.000) 2.581 0.985 ( 1.864 1.786 0.000) 2.581 0.992 ( -0.024 -3.494 0.000) 3.494 0.992 ( -0.024 3.494 0.000) 3.494 1.040 ( 3.879 -0.909 0.000) 3.984 1.040 ( 3.879 0.909 0.000) 3.984 1.074 ( 1.324 -1.992 0.000) 2.392 1.074 ( 1.324 1.992 0.000) 2.392 1.115 ( 0.287 -1.242 0.000) 1.275 1.115 ( 0.287 1.242 0.000) 1.275 1.126 ( 1.595 -2.269 0.000) 2.773 1.126 ( 1.595 2.269 0.000) 2.773 1.140 ( 2.343 -2.988 0.000) 3.797 1.140 ( 2.343 2.988 0.000) 3.797 1.175 ( 1.945 -2.626 0.000) 3.268 1.175 ( 1.945 2.626 0.000) 3.268 1.194 ( -0.075 -2.039 0.000) 2.040 1.194 ( -0.075 2.039 0.000) 2.040 1.239 ( -0.593 -0.415 0.000) 0.724 1.239 ( -0.593 0.415 0.000) 0.724 1.284 ( 0.831 -2.831 0.000) 2.951 1.284 ( 0.831 2.831 0.000) 2.951 1.304 ( 2.188 -0.413 0.000) 2.227 1.304 ( 2.188 0.413 0.000) 2.227 1.328 ( -0.819 -3.217 0.000) 3.320 1.328 ( -0.819 3.217 0.000) 3.320 1.346 ( -0.896 -1.976 0.000) 2.169 1.346 ( -0.896 1.976 0.000) 2.169 1.375 ( 2.972 -2.690 0.000) 4.009 1.375 ( 2.972 2.690 0.000) 4.009 1.433 ( 1.460 -1.793 0.000) 2.312 1.433 ( 1.460 1.793 0.000) 2.312 1.440 ( 1.355 -0.973 0.000) 1.669 1.440 ( 1.355 0.973 0.000) 1.669 1.496 ( -0.735 -0.902 0.000) 1.164 1.496 ( -0.735 0.902 0.000) 1.164 1.536 ( 0.339 -1.528 0.000) 1.565 1.536 ( 0.339 1.528 0.000) 1.565 1.584 ( 0.309 -1.606 0.000) 1.635 1.584 ( 0.309 1.606 0.000) 1.635 1.615 ( 1.685 -1.234 0.000) 2.088 1.615 ( 1.685 1.234 0.000) 2.088 1.795 ( -2.303 -1.007 0.000) 2.514 1.795 ( -2.303 1.007 0.000) 2.514 1.801 ( -1.071 -1.599 0.000) 1.924 1.801 ( -1.071 1.599 0.000) 1.924 1.840 ( -2.113 -2.455 0.000) 3.239 1.840 ( -2.113 2.455 0.000) 3.239 1.874 ( -3.426 -1.741 0.000) 3.843 1.874 ( -3.426 1.741 0.000) 3.843 2.229 ( 2.755 -1.039 0.000) 2.945 2.229 ( 2.755 1.039 0.000) 2.945 2.273 ( 3.579 -1.140 0.000) 3.756 2.273 ( 3.579 1.140 0.000) 3.756 2.316 ( 0.672 -1.227 0.000) 1.399 2.316 ( 0.672 1.227 0.000) 1.399 2.403 ( 6.142 -1.593 0.000) 6.345 2.403 ( 6.142 1.593 0.000) 6.345 2.501 ( 1.978 -2.530 0.000) 3.212 2.501 ( 1.978 2.530 0.000) 3.212 2.525 ( 1.276 -1.768 0.000) 2.180 2.525 ( 1.276 1.768 0.000) 2.180 2.605 ( 4.602 -1.419 0.000) 4.816 2.605 ( 4.602 1.419 0.000) 4.816 2.650 ( 3.637 -6.169 0.000) 7.161 2.650 ( 3.637 6.169 0.000) 7.161 2.782 ( -0.418 -0.758 0.000) 0.866 2.782 ( -0.418 0.758 0.000) 0.866 2.838 ( -0.225 -5.154 0.000) 5.159 2.838 ( -0.225 5.154 0.000) 5.159 2.899 ( 4.227 -0.547 0.000) 4.262 2.899 ( 4.227 0.547 0.000) 4.262 2.969 ( -0.598 -2.422 0.000) 2.495 2.969 ( -0.598 2.422 0.000) 2.495 3.555 ( -0.568 -3.553 0.000) 3.598 3.555 ( -0.568 3.553 0.000) 3.598 3.682 ( -1.688 -0.680 0.000) 1.819 3.682 ( -1.688 0.680 0.000) 1.819 3.699 ( -1.463 -0.992 0.000) 1.767 3.699 ( -1.463 0.992 0.000) 1.767 3.814 ( -1.845 -0.441 0.000) 1.897 3.814 ( -1.845 0.441 0.000) 1.897 4.143 ( -0.912 -0.541 0.000) 1.060 4.143 ( -0.912 0.541 0.000) 1.060 4.160 ( -2.597 -2.501 0.000) 3.605 4.160 ( -2.597 2.501 0.000) 3.605 4.255 ( -1.605 -0.792 0.000) 1.790 4.255 ( -1.605 0.792 0.000) 1.790 4.279 ( -2.086 -2.166 0.000) 3.007 4.279 ( -2.086 2.166 0.000) 3.007 4.521 ( 1.018 -0.991 0.000) 1.421 4.521 ( 1.018 0.991 0.000) 1.421 4.541 ( -0.502 -1.246 0.000) 1.343 4.541 ( -0.502 1.246 0.000) 1.343 4.696 ( 0.948 -2.182 0.000) 2.379 4.696 ( 0.948 2.182 0.000) 2.379 4.769 ( -0.165 -3.737 0.000) 3.741 4.769 ( -0.165 3.737 0.000) 3.741 5.288 ( 1.396 -0.297 0.000) 1.428 5.288 ( 1.396 0.297 0.000) 1.428 5.450 ( -0.039 -2.009 0.000) 2.010 5.450 ( -0.039 2.009 0.000) 2.010 5.496 ( 0.444 -2.457 0.000) 2.497 5.496 ( 0.444 2.457 0.000) 2.497 5.592 ( 1.679 -1.384 0.000) 2.176 5.592 ( 1.679 1.384 0.000) 2.176 5.760 ( 2.641 -2.725 0.000) 3.795 5.760 ( 2.641 2.725 0.000) 3.795 5.786 ( 0.981 -2.837 0.000) 3.002 5.786 ( 0.981 2.837 0.000) 3.002 5.851 ( 1.824 -1.296 0.000) 2.238 5.851 ( 1.824 1.296 0.000) 2.238 5.902 ( 2.264 -6.568 0.000) 6.947 5.902 ( 2.264 6.568 0.000) 6.947 6.304 ( -1.618 -0.574 0.000) 1.717 6.304 ( -1.618 0.574 0.000) 1.717 6.390 ( -0.072 -4.428 0.000) 4.428 6.390 ( -0.072 4.428 0.000) 4.428 6.446 ( 0.320 -2.345 0.000) 2.367 6.446 ( 0.320 2.345 0.000) 2.367 6.558 ( 1.663 -2.266 0.000) 2.811 6.558 ( 1.663 2.266 0.000) 2.811 9.029 ( 3.178 -0.602 0.000) 3.234 9.029 ( 3.178 0.602 0.000) 3.234 9.058 ( 3.275 -0.706 0.000) 3.350 9.058 ( 3.275 0.706 0.000) 3.350 9.088 ( 2.992 -0.851 0.000) 3.111 9.088 ( 2.992 0.851 0.000) 3.111 9.150 ( 6.431 -0.432 0.000) 6.446 9.150 ( 6.431 0.432 0.000) 6.446 9.364 ( 0.548 -0.496 0.000) 0.739 9.364 ( 0.548 0.496 0.000) 0.739 9.494 ( 0.366 -2.063 0.000) 2.096 9.494 ( 0.366 2.063 0.000) 2.096 9.528 ( -1.819 -3.650 0.000) 4.079 9.528 ( -1.819 3.650 0.000) 4.079 9.712 ( -4.992 -2.272 0.000) 5.485 9.712 ( -4.992 2.272 0.000) 5.485 10.467 ( 0.487 -0.278 0.000) 0.561 10.467 ( 0.487 0.278 0.000) 0.561 10.496 ( 0.314 -1.061 0.000) 1.107 10.496 ( 0.314 1.061 0.000) 1.107 10.556 ( 0.864 -1.929 0.000) 2.113 10.556 ( 0.864 1.929 0.000) 2.113 10.587 ( 0.126 -0.711 0.000) 0.722 10.587 ( 0.126 0.711 0.000) 0.722 ======================= Grid point 22 (13/30) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 3.616 -3.139 0.000) 4.788 0.463 ( 3.616 3.139 0.000) 4.788 0.513 ( 2.012 -3.619 0.000) 4.141 0.513 ( 2.012 3.619 0.000) 4.141 0.585 ( 3.948 -2.722 0.000) 4.796 0.585 ( 3.948 2.722 0.000) 4.796 0.586 ( 4.922 -1.517 0.000) 5.151 0.586 ( 4.922 1.517 0.000) 5.151 0.639 ( 0.474 -2.467 0.000) 2.512 0.639 ( 0.474 2.467 0.000) 2.512 0.664 ( 3.552 -1.638 0.000) 3.912 0.664 ( 3.552 1.638 0.000) 3.912 0.810 ( 0.891 -0.638 0.000) 1.096 0.810 ( 0.891 0.638 0.000) 1.096 0.817 ( 2.078 -2.845 0.000) 3.523 0.817 ( 2.078 2.845 0.000) 3.523 0.832 ( 2.891 -0.841 0.000) 3.011 0.832 ( 2.891 0.841 0.000) 3.011 0.947 ( 4.530 -2.381 0.000) 5.117 0.947 ( 4.530 2.381 0.000) 5.117 0.978 ( 1.041 -3.249 0.000) 3.412 0.978 ( 1.041 3.249 0.000) 3.412 1.007 ( 2.066 -1.068 0.000) 2.325 1.007 ( 2.066 1.068 0.000) 2.325 1.035 ( 1.199 -2.051 0.000) 2.376 1.035 ( 1.199 2.051 0.000) 2.376 1.084 ( 1.537 -0.539 0.000) 1.629 1.084 ( 1.537 0.539 0.000) 1.629 1.092 ( 0.676 -0.561 0.000) 0.878 1.092 ( 0.676 0.561 0.000) 0.878 1.122 ( 0.576 -2.786 0.000) 2.845 1.122 ( 0.576 2.786 0.000) 2.845 1.155 ( -0.439 -1.292 0.000) 1.365 1.155 ( -0.439 1.292 0.000) 1.365 1.184 ( 1.348 -1.909 0.000) 2.337 1.184 ( 1.348 1.909 0.000) 2.337 1.202 ( -0.216 -2.164 0.000) 2.174 1.202 ( -0.216 2.164 0.000) 2.174 1.204 ( 2.852 -1.809 0.000) 3.377 1.204 ( 2.852 1.809 0.000) 3.377 1.248 ( 2.589 -1.091 0.000) 2.810 1.248 ( 2.589 1.091 0.000) 2.810 1.296 ( -0.131 -0.677 0.000) 0.689 1.296 ( -0.131 0.677 0.000) 0.689 1.317 ( 0.290 -2.909 0.000) 2.924 1.317 ( 0.290 2.909 0.000) 2.924 1.327 ( 1.646 -1.453 0.000) 2.195 1.327 ( 1.646 1.453 0.000) 2.195 1.381 ( 3.218 -0.884 0.000) 3.337 1.381 ( 3.218 0.884 0.000) 3.337 1.431 ( 2.393 -2.386 0.000) 3.380 1.431 ( 2.393 2.386 0.000) 3.380 1.454 ( -0.081 -1.098 0.000) 1.101 1.454 ( -0.081 1.098 0.000) 1.101 1.481 ( 2.967 -2.339 0.000) 3.778 1.481 ( 2.967 2.339 0.000) 3.778 1.511 ( 2.471 -1.801 0.000) 3.057 1.511 ( 2.471 1.801 0.000) 3.057 1.547 ( 0.977 -0.627 0.000) 1.161 1.547 ( 0.977 0.627 0.000) 1.161 1.581 ( -0.731 -0.393 0.000) 0.830 1.581 ( -0.731 0.393 0.000) 0.830 1.642 ( 0.398 -1.361 0.000) 1.418 1.642 ( 0.398 1.361 0.000) 1.418 1.743 ( -2.032 -2.726 0.000) 3.400 1.743 ( -2.032 2.726 0.000) 3.400 1.760 ( -2.985 -1.214 0.000) 3.222 1.760 ( -2.985 1.214 0.000) 3.222 1.789 ( -2.769 -3.992 0.000) 4.858 1.789 ( -2.769 3.992 0.000) 4.858 1.810 ( -2.102 -1.987 0.000) 2.893 1.810 ( -2.102 1.987 0.000) 2.893 2.290 ( 3.172 -1.201 0.000) 3.392 2.290 ( 3.172 1.201 0.000) 3.392 2.346 ( 2.407 -1.252 0.000) 2.713 2.346 ( 2.407 1.252 0.000) 2.713 2.364 ( 4.153 -1.181 0.000) 4.317 2.364 ( 4.153 1.181 0.000) 4.317 2.486 ( 2.301 -0.761 0.000) 2.423 2.486 ( 2.301 0.761 0.000) 2.423 2.566 ( 2.813 -1.742 0.000) 3.309 2.566 ( 2.813 1.742 0.000) 3.309 2.589 ( 5.850 -3.949 0.000) 7.058 2.589 ( 5.850 3.949 0.000) 7.058 2.694 ( 1.673 -0.806 0.000) 1.857 2.694 ( 1.673 0.806 0.000) 1.857 2.725 ( 2.107 -4.946 0.000) 5.376 2.725 ( 2.107 4.946 0.000) 5.376 2.818 ( 6.001 -0.570 0.000) 6.028 2.818 ( 6.001 0.570 0.000) 6.028 2.841 ( 1.891 -1.422 0.000) 2.366 2.841 ( 1.891 1.422 0.000) 2.366 2.998 ( 4.241 -1.767 0.000) 4.595 2.998 ( 4.241 1.767 0.000) 4.595 3.001 ( 6.004 -1.389 0.000) 6.162 3.001 ( 6.004 1.389 0.000) 6.162 3.551 ( 0.324 -1.512 0.000) 1.546 3.551 ( 0.324 1.512 0.000) 1.546 3.640 ( -2.369 -0.923 0.000) 2.543 3.640 ( -2.369 0.923 0.000) 2.543 3.659 ( -2.437 -0.587 0.000) 2.507 3.659 ( -2.437 0.587 0.000) 2.507 3.762 ( -3.303 -0.591 0.000) 3.355 3.762 ( -3.303 0.591 0.000) 3.355 4.122 ( -0.926 -1.213 0.000) 1.526 4.122 ( -0.926 1.213 0.000) 1.526 4.126 ( -0.687 -0.806 0.000) 1.059 4.126 ( -0.687 0.806 0.000) 1.059 4.227 ( -1.131 -0.721 0.000) 1.341 4.227 ( -1.131 0.721 0.000) 1.341 4.230 ( -2.534 -0.998 0.000) 2.723 4.230 ( -2.534 0.998 0.000) 2.723 4.536 ( -0.241 -0.467 0.000) 0.525 4.536 ( -0.241 0.467 0.000) 0.525 4.539 ( 0.568 -0.850 0.000) 1.023 4.539 ( 0.568 0.850 0.000) 1.023 4.710 ( 0.505 -1.956 0.000) 2.020 4.710 ( 0.505 1.956 0.000) 2.020 4.754 ( -1.072 -2.352 0.000) 2.585 4.754 ( -1.072 2.352 0.000) 2.585 5.324 ( 2.120 -0.805 0.000) 2.267 5.324 ( 2.120 0.805 0.000) 2.267 5.448 ( -0.124 -1.561 0.000) 1.566 5.448 ( -0.124 1.561 0.000) 1.566 5.507 ( 0.674 -1.890 0.000) 2.007 5.507 ( 0.674 1.890 0.000) 2.007 5.615 ( 0.274 -2.195 0.000) 2.212 5.615 ( 0.274 2.195 0.000) 2.212 5.823 ( 3.349 -2.480 0.000) 4.167 5.823 ( 3.349 2.480 0.000) 4.167 5.845 ( 4.200 -1.810 0.000) 4.574 5.845 ( 4.200 1.810 0.000) 4.574 5.900 ( 3.013 -0.612 0.000) 3.075 5.900 ( 3.013 0.612 0.000) 3.075 5.922 ( 0.293 -5.197 0.000) 5.205 5.922 ( 0.293 5.197 0.000) 5.205 6.274 ( -1.127 -0.562 0.000) 1.260 6.274 ( -1.127 0.562 0.000) 1.260 6.380 ( -1.103 -6.488 0.000) 6.581 6.380 ( -1.103 6.488 0.000) 6.581 6.438 ( -1.120 -1.982 0.000) 2.276 6.438 ( -1.120 1.982 0.000) 2.276 6.561 ( -1.584 -3.124 0.000) 3.502 6.561 ( -1.584 3.124 0.000) 3.502 9.097 ( 3.229 -0.063 0.000) 3.230 9.097 ( 3.229 0.063 0.000) 3.230 9.139 ( 4.157 -1.101 0.000) 4.300 9.139 ( 4.157 1.101 0.000) 4.300 9.147 ( 2.639 -0.423 0.000) 2.673 9.147 ( 2.639 0.423 0.000) 2.673 9.258 ( 3.508 -0.377 0.000) 3.528 9.258 ( 3.508 0.377 0.000) 3.528 9.379 ( 0.998 -1.811 0.000) 2.068 9.379 ( 0.998 1.811 0.000) 2.068 9.489 ( -1.760 -3.577 0.000) 3.987 9.489 ( -1.760 3.577 0.000) 3.987 9.509 ( 1.145 -2.461 0.000) 2.714 9.509 ( 1.145 2.461 0.000) 2.714 9.604 ( -5.034 -4.014 0.000) 6.438 9.604 ( -5.034 4.014 0.000) 6.438 10.487 ( 1.623 -0.427 0.000) 1.678 10.487 ( 1.623 0.427 0.000) 1.678 10.509 ( 1.109 -0.440 0.000) 1.193 10.509 ( 1.109 0.440 0.000) 1.193 10.582 ( 1.761 -1.472 0.000) 2.295 10.582 ( 1.761 1.472 0.000) 2.295 10.604 ( 1.472 -1.249 0.000) 1.930 10.604 ( 1.472 1.249 0.000) 1.930 ======================= Grid point 24 (14/30) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 3.249 -1.198 0.000) 3.463 0.537 ( 3.249 1.198 0.000) 3.463 0.557 ( 2.066 -3.449 0.000) 4.021 0.557 ( 2.066 3.449 0.000) 4.021 0.659 ( 2.422 -0.765 0.000) 2.540 0.659 ( 2.422 0.765 0.000) 2.540 0.664 ( 3.684 -3.581 0.000) 5.138 0.664 ( 3.684 3.581 0.000) 5.138 0.682 ( 4.073 -3.234 0.000) 5.201 0.682 ( 4.073 3.234 0.000) 5.201 0.738 ( 3.565 -2.300 0.000) 4.242 0.738 ( 3.565 2.300 0.000) 4.242 0.834 ( 1.556 -1.149 0.000) 1.934 0.834 ( 1.556 1.149 0.000) 1.934 0.868 ( 2.766 -2.659 0.000) 3.837 0.868 ( 2.766 2.659 0.000) 3.837 0.899 ( 3.049 -0.259 0.000) 3.060 0.899 ( 3.049 0.259 0.000) 3.060 0.981 ( -0.124 -2.531 0.000) 2.534 0.981 ( -0.124 2.531 0.000) 2.534 1.002 ( 0.421 -0.309 0.000) 0.522 1.002 ( 0.421 0.309 0.000) 0.522 1.020 ( -0.765 -1.709 0.000) 1.873 1.020 ( -0.765 1.709 0.000) 1.873 1.039 ( 0.951 -0.217 0.000) 0.975 1.039 ( 0.951 0.217 0.000) 0.975 1.081 ( -1.781 -0.114 0.000) 1.785 1.081 ( -1.781 0.114 0.000) 1.785 1.099 ( -1.364 -1.743 0.000) 2.213 1.099 ( -1.364 1.743 0.000) 2.213 1.115 ( -0.031 -1.411 0.000) 1.411 1.115 ( -0.031 1.411 0.000) 1.411 1.140 ( 1.522 -1.149 0.000) 1.907 1.140 ( 1.522 1.149 0.000) 1.907 1.212 ( 0.463 -0.994 0.000) 1.097 1.212 ( 0.463 0.994 0.000) 1.097 1.212 ( 1.026 -0.373 0.000) 1.091 1.212 ( 1.026 0.373 0.000) 1.091 1.270 ( 1.070 -1.958 0.000) 2.231 1.270 ( 1.070 1.958 0.000) 2.231 1.290 ( 1.416 -0.309 0.000) 1.450 1.290 ( 1.416 0.309 0.000) 1.450 1.294 ( 1.042 -2.769 0.000) 2.959 1.294 ( 1.042 2.769 0.000) 2.959 1.335 ( 1.281 -4.261 0.000) 4.449 1.335 ( 1.281 4.261 0.000) 4.449 1.387 ( 2.977 -1.224 0.000) 3.219 1.387 ( 2.977 1.224 0.000) 3.219 1.425 ( 0.927 -1.004 0.000) 1.367 1.425 ( 0.927 1.004 0.000) 1.367 1.445 ( -0.458 -0.647 0.000) 0.793 1.445 ( -0.458 0.647 0.000) 0.793 1.478 ( 0.954 -3.040 0.000) 3.186 1.478 ( 0.954 3.040 0.000) 3.186 1.511 ( -0.210 -0.185 0.000) 0.280 1.511 ( -0.210 0.185 0.000) 0.280 1.534 ( 0.878 -2.056 0.000) 2.236 1.534 ( 0.878 2.056 0.000) 2.236 1.575 ( 0.678 -0.837 0.000) 1.077 1.575 ( 0.678 0.837 0.000) 1.077 1.592 ( 2.038 -2.062 0.000) 2.899 1.592 ( 2.038 2.062 0.000) 2.899 1.651 ( 2.011 -1.987 0.000) 2.826 1.651 ( 2.011 1.987 0.000) 2.826 1.711 ( -1.345 -0.442 0.000) 1.416 1.711 ( -1.345 0.442 0.000) 1.416 1.722 ( -1.084 -4.876 0.000) 4.995 1.722 ( -1.084 4.876 0.000) 4.995 1.751 ( -0.360 -3.011 0.000) 3.032 1.751 ( -0.360 3.011 0.000) 3.032 1.791 ( -0.299 -2.916 0.000) 2.931 1.791 ( -0.299 2.916 0.000) 2.931 2.350 ( 2.861 -0.736 0.000) 2.954 2.350 ( 2.861 0.736 0.000) 2.954 2.407 ( 3.484 -0.547 0.000) 3.526 2.407 ( 3.484 0.547 0.000) 3.526 2.416 ( 1.349 -0.766 0.000) 1.551 2.416 ( 1.349 0.766 0.000) 1.551 2.514 ( 0.487 -0.543 0.000) 0.729 2.514 ( 0.487 0.543 0.000) 0.729 2.615 ( 1.909 -1.533 0.000) 2.448 2.615 ( 1.909 1.533 0.000) 2.448 2.661 ( 0.980 -3.603 0.000) 3.733 2.661 ( 0.980 3.603 0.000) 3.733 2.688 ( -1.044 -1.578 0.000) 1.892 2.688 ( -1.044 1.578 0.000) 1.892 2.717 ( -1.394 -2.750 0.000) 3.083 2.717 ( -1.394 2.750 0.000) 3.083 2.940 ( 6.843 -0.295 0.000) 6.849 2.940 ( 6.843 0.295 0.000) 6.849 2.973 ( 7.678 -0.222 0.000) 7.681 2.973 ( 7.678 0.222 0.000) 7.681 3.118 ( 6.505 -1.764 0.000) 6.740 3.118 ( 6.505 1.764 0.000) 6.740 3.126 ( 6.070 -1.456 0.000) 6.242 3.126 ( 6.070 1.456 0.000) 6.242 3.562 ( 0.250 -0.548 0.000) 0.602 3.562 ( 0.250 0.548 0.000) 0.602 3.604 ( -0.514 -0.824 0.000) 0.971 3.604 ( -0.514 0.824 0.000) 0.971 3.608 ( -2.594 -0.848 0.000) 2.729 3.608 ( -2.594 0.848 0.000) 2.729 3.697 ( -2.879 -0.334 0.000) 2.898 3.697 ( -2.879 0.334 0.000) 2.898 4.120 ( 0.064 -0.943 0.000) 0.945 4.120 ( 0.064 0.943 0.000) 0.945 4.124 ( 0.883 -0.423 0.000) 0.979 4.124 ( 0.883 0.423 0.000) 0.979 4.187 ( -1.729 -0.589 0.000) 1.827 4.187 ( -1.729 0.589 0.000) 1.827 4.209 ( -0.862 -0.678 0.000) 1.097 4.209 ( -0.862 0.678 0.000) 1.097 4.523 ( -1.128 -1.028 0.000) 1.526 4.523 ( -1.128 1.028 0.000) 1.526 4.535 ( -1.002 -0.566 0.000) 1.151 4.535 ( -1.002 0.566 0.000) 1.151 4.720 ( 0.549 -1.290 0.000) 1.402 4.720 ( 0.549 1.290 0.000) 1.402 4.737 ( -0.491 -1.130 0.000) 1.232 4.737 ( -0.491 1.130 0.000) 1.232 5.367 ( 2.069 -1.266 0.000) 2.426 5.367 ( 2.069 1.266 0.000) 2.426 5.444 ( -0.333 -1.463 0.000) 1.500 5.444 ( -0.333 1.463 0.000) 1.500 5.521 ( 0.729 -0.664 0.000) 0.986 5.521 ( 0.729 0.664 0.000) 0.986 5.601 ( -1.563 -1.696 0.000) 2.306 5.601 ( -1.563 1.696 0.000) 2.306 5.881 ( 2.437 -1.745 0.000) 2.998 5.881 ( 2.437 1.745 0.000) 2.998 5.916 ( 1.490 -3.136 0.000) 3.472 5.916 ( 1.490 3.136 0.000) 3.472 5.941 ( 2.892 -1.253 0.000) 3.152 5.941 ( 2.892 1.253 0.000) 3.152 5.963 ( 3.077 -0.401 0.000) 3.103 5.963 ( 3.077 0.401 0.000) 3.103 6.265 ( 0.359 -0.676 0.000) 0.765 6.265 ( 0.359 0.676 0.000) 0.765 6.349 ( -1.771 -6.630 0.000) 6.863 6.349 ( -1.771 6.630 0.000) 6.863 6.406 ( -1.948 -1.640 0.000) 2.546 6.406 ( -1.948 1.640 0.000) 2.546 6.501 ( -4.156 -3.831 0.000) 5.652 6.501 ( -4.156 3.831 0.000) 5.652 9.146 ( 1.753 -0.452 0.000) 1.811 9.146 ( 1.753 0.452 0.000) 1.811 9.190 ( 1.716 -1.141 0.000) 2.061 9.190 ( 1.716 1.141 0.000) 2.061 9.198 ( 1.519 -0.858 0.000) 1.745 9.198 ( 1.519 0.858 0.000) 1.745 9.280 ( -0.812 -1.890 0.000) 2.057 9.280 ( -0.812 1.890 0.000) 2.057 9.404 ( 1.414 -2.800 0.000) 3.137 9.404 ( 1.414 2.800 0.000) 3.137 9.460 ( -1.295 -2.914 0.000) 3.189 9.460 ( -1.295 2.914 0.000) 3.189 9.529 ( 0.646 -2.094 0.000) 2.192 9.529 ( 0.646 2.094 0.000) 2.192 9.540 ( -1.304 -3.871 0.000) 4.085 9.540 ( -1.304 3.871 0.000) 4.085 10.528 ( 2.363 -0.374 0.000) 2.392 10.528 ( 2.363 0.374 0.000) 2.392 10.540 ( 1.880 -0.115 0.000) 1.884 10.540 ( 1.880 0.115 0.000) 1.884 10.620 ( 1.875 -0.886 0.000) 2.074 10.620 ( 1.875 0.886 0.000) 2.074 10.636 ( 1.496 -1.182 0.000) 1.907 10.636 ( 1.496 1.182 0.000) 1.907 ======================= Grid point 26 (15/30) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 1.182 -1.330 0.000) 1.779 0.580 ( 1.182 1.330 0.000) 1.779 0.585 ( 0.649 -1.312 0.000) 1.463 0.585 ( 0.649 1.312 0.000) 1.463 0.704 ( 1.478 -0.772 0.000) 1.668 0.704 ( 1.478 0.772 0.000) 1.668 0.710 ( 0.865 -2.627 0.000) 2.766 0.710 ( 0.865 2.627 0.000) 2.766 0.766 ( 4.152 -2.362 0.000) 4.776 0.766 ( 4.152 2.362 0.000) 4.776 0.797 ( 1.788 -2.076 0.000) 2.740 0.797 ( 1.788 2.076 0.000) 2.740 0.860 ( 0.732 -1.225 0.000) 1.427 0.860 ( 0.732 1.225 0.000) 1.427 0.882 ( -1.804 -1.007 0.000) 2.066 0.882 ( -1.804 1.007 0.000) 2.066 0.946 ( 2.233 -1.467 0.000) 2.672 0.946 ( 2.233 1.467 0.000) 2.672 0.974 ( -1.325 -1.123 0.000) 1.737 0.974 ( -1.325 1.123 0.000) 1.737 0.992 ( 0.800 -0.876 0.000) 1.187 0.992 ( 0.800 0.876 0.000) 1.187 1.014 ( -1.171 -0.956 0.000) 1.512 1.014 ( -1.171 0.956 0.000) 1.512 1.047 ( 0.456 -0.926 0.000) 1.032 1.047 ( 0.456 0.926 0.000) 1.032 1.059 ( -0.484 -0.110 0.000) 0.496 1.059 ( -0.484 0.110 0.000) 0.496 1.094 ( 1.007 -2.091 0.000) 2.321 1.094 ( 1.007 2.091 0.000) 2.321 1.114 ( -0.523 -1.702 0.000) 1.781 1.114 ( -0.523 1.702 0.000) 1.781 1.176 ( 1.578 -1.096 0.000) 1.921 1.176 ( 1.578 1.096 0.000) 1.921 1.201 ( -1.107 -0.608 0.000) 1.262 1.201 ( -1.107 0.608 0.000) 1.262 1.236 ( 1.186 -0.480 0.000) 1.279 1.236 ( 1.186 0.480 0.000) 1.279 1.258 ( -1.108 -1.239 0.000) 1.662 1.258 ( -1.108 1.239 0.000) 1.662 1.315 ( 1.421 -1.713 0.000) 2.225 1.315 ( 1.421 1.713 0.000) 2.225 1.324 ( 1.023 -3.307 0.000) 3.462 1.324 ( 1.023 3.307 0.000) 3.462 1.358 ( 0.806 -2.632 0.000) 2.753 1.358 ( 0.806 2.632 0.000) 2.753 1.390 ( -2.542 -0.487 0.000) 2.588 1.390 ( -2.542 0.487 0.000) 2.588 1.426 ( -0.216 -1.459 0.000) 1.475 1.426 ( -0.216 1.459 0.000) 1.475 1.426 ( -0.252 -0.915 0.000) 0.949 1.426 ( -0.252 0.915 0.000) 0.949 1.483 ( 0.372 -0.934 0.000) 1.006 1.483 ( 0.372 0.934 0.000) 1.006 1.494 ( -0.873 -0.350 0.000) 0.941 1.494 ( -0.873 0.350 0.000) 0.941 1.576 ( 1.105 -3.340 0.000) 3.518 1.576 ( 1.105 3.340 0.000) 3.518 1.581 ( 0.168 -2.353 0.000) 2.359 1.581 ( 0.168 2.353 0.000) 2.359 1.636 ( 2.724 -3.741 0.000) 4.627 1.636 ( 2.724 3.741 0.000) 4.627 1.676 ( -0.768 -5.390 0.000) 5.444 1.676 ( -0.768 5.390 0.000) 5.444 1.709 ( 0.505 -1.780 0.000) 1.851 1.709 ( 0.505 1.780 0.000) 1.851 1.711 ( 0.298 -2.449 0.000) 2.467 1.711 ( 0.298 2.449 0.000) 2.467 1.765 ( 1.215 -3.236 0.000) 3.457 1.765 ( 1.215 3.236 0.000) 3.457 1.784 ( -0.605 -3.243 0.000) 3.299 1.784 ( -0.605 3.243 0.000) 3.299 2.399 ( 1.967 -0.412 0.000) 2.009 2.399 ( 1.967 0.412 0.000) 2.009 2.424 ( -0.505 -0.216 0.000) 0.549 2.424 ( -0.505 0.216 0.000) 0.549 2.470 ( 2.590 -0.601 0.000) 2.659 2.470 ( 2.590 0.601 0.000) 2.659 2.506 ( -1.147 -0.484 0.000) 1.245 2.506 ( -1.147 0.484 0.000) 1.245 2.643 ( 0.897 -1.675 0.000) 1.900 2.643 ( 0.897 1.675 0.000) 1.900 2.655 ( -0.698 -2.603 0.000) 2.694 2.655 ( -0.698 2.603 0.000) 2.694 2.674 ( 0.015 -1.400 0.000) 1.400 2.674 ( 0.015 1.400 0.000) 1.400 2.692 ( -1.273 -1.880 0.000) 2.270 2.692 ( -1.273 1.880 0.000) 2.270 3.057 ( 4.041 -0.827 0.000) 4.124 3.057 ( 4.041 0.827 0.000) 4.124 3.077 ( 2.267 -0.250 0.000) 2.280 3.077 ( 2.267 0.250 0.000) 2.280 3.213 ( 2.635 -0.842 0.000) 2.766 3.213 ( 2.635 0.842 0.000) 2.766 3.215 ( 2.456 -0.412 0.000) 2.490 3.215 ( 2.456 0.412 0.000) 2.490 3.557 ( -0.184 -1.111 0.000) 1.126 3.557 ( -0.184 1.111 0.000) 1.126 3.567 ( -1.329 -1.035 0.000) 1.685 3.567 ( -1.329 1.035 0.000) 1.685 3.623 ( 1.589 -0.280 0.000) 1.613 3.623 ( 1.589 0.280 0.000) 1.613 3.654 ( -1.633 -0.355 0.000) 1.672 3.654 ( -1.633 0.355 0.000) 1.672 4.127 ( 0.607 -0.693 0.000) 0.921 4.127 ( 0.607 0.693 0.000) 0.921 4.138 ( -0.116 -0.183 0.000) 0.217 4.138 ( -0.116 0.183 0.000) 0.217 4.171 ( 0.532 -0.558 0.000) 0.771 4.171 ( 0.532 0.558 0.000) 0.771 4.191 ( -0.999 -0.655 0.000) 1.195 4.191 ( -0.999 0.655 0.000) 1.195 4.501 ( -0.602 -0.512 0.000) 0.790 4.501 ( -0.602 0.512 0.000) 0.790 4.509 ( -1.234 -0.426 0.000) 1.306 4.509 ( -1.234 0.426 0.000) 1.306 4.730 ( 0.360 -0.585 0.000) 0.686 4.730 ( 0.360 0.585 0.000) 0.686 4.733 ( -0.052 -0.338 0.000) 0.342 4.733 ( -0.052 0.338 0.000) 0.342 5.404 ( 1.719 -0.701 0.000) 1.856 5.404 ( 1.719 0.701 0.000) 1.856 5.432 ( -0.994 -1.017 0.000) 1.422 5.432 ( -0.994 1.017 0.000) 1.422 5.538 ( 0.999 -0.658 0.000) 1.196 5.538 ( 0.999 0.658 0.000) 1.196 5.565 ( -1.763 -1.136 0.000) 2.098 5.565 ( -1.763 1.136 0.000) 2.098 5.917 ( 1.139 -0.811 0.000) 1.398 5.917 ( 1.139 0.811 0.000) 1.398 5.927 ( 0.072 -1.720 0.000) 1.722 5.927 ( 0.072 1.720 0.000) 1.722 5.998 ( 1.955 -0.736 0.000) 2.089 5.998 ( 1.955 0.736 0.000) 2.089 6.007 ( 1.070 -0.458 0.000) 1.163 6.007 ( 1.070 0.458 0.000) 1.163 6.288 ( 1.714 -2.038 0.000) 2.663 6.288 ( 1.714 2.038 0.000) 2.663 6.318 ( -1.353 -5.089 0.000) 5.266 6.318 ( -1.353 5.089 0.000) 5.266 6.378 ( -0.224 -2.120 0.000) 2.131 6.378 ( -0.224 2.120 0.000) 2.131 6.416 ( -3.819 -3.694 0.000) 5.313 6.416 ( -3.819 3.694 0.000) 5.313 9.175 ( 1.384 -1.003 0.000) 1.710 9.175 ( 1.384 1.003 0.000) 1.710 9.200 ( -0.937 -1.103 0.000) 1.448 9.200 ( -0.937 1.103 0.000) 1.448 9.220 ( 1.431 -1.890 0.000) 2.371 9.220 ( 1.431 1.890 0.000) 2.371 9.251 ( -1.703 -2.204 0.000) 2.786 9.251 ( -1.703 2.204 0.000) 2.786 9.430 ( 1.054 -2.851 0.000) 3.040 9.430 ( 1.054 2.851 0.000) 3.040 9.443 ( -0.480 -2.424 0.000) 2.472 9.443 ( -0.480 2.424 0.000) 2.472 9.532 ( -0.009 -2.096 0.000) 2.096 9.532 ( -0.009 2.096 0.000) 2.096 9.534 ( -0.094 -1.811 0.000) 1.814 9.534 ( -0.094 1.811 0.000) 1.814 10.567 ( 1.250 -0.347 0.000) 1.298 10.567 ( 1.250 0.347 0.000) 1.298 10.571 ( 0.882 -0.362 0.000) 0.953 10.571 ( 0.882 0.362 0.000) 0.953 10.649 ( 0.983 -0.120 0.000) 0.991 10.649 ( 0.983 0.120 0.000) 0.991 10.656 ( 0.385 -0.687 0.000) 0.787 10.656 ( 0.385 0.687 0.000) 0.787 ======================= Grid point 45 (16/30) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( 0.000 0.000 -10.198) 10.198 0.238 ( 0.000 0.000 10.198) 10.198 0.304 ( 0.000 0.000 -12.051) 12.051 0.304 ( 0.000 0.000 12.051) 12.051 0.431 ( 0.000 0.000 -16.274) 16.274 0.431 ( 0.000 0.000 16.274) 16.274 0.636 ( 0.000 0.000 -0.077) 0.077 0.636 ( 0.000 0.000 0.077) 0.077 0.684 ( 0.000 0.000 -3.453) 3.453 0.684 ( 0.000 0.000 3.453) 3.453 0.716 ( 0.000 0.000 -0.209) 0.209 0.716 ( 0.000 0.000 0.209) 0.209 0.718 ( 0.000 0.000 -1.153) 1.153 0.718 ( 0.000 0.000 1.153) 1.153 0.755 ( 0.000 0.000 -3.563) 3.563 0.755 ( 0.000 0.000 3.563) 3.563 0.786 ( 0.000 0.000 -1.801) 1.801 0.786 ( 0.000 0.000 1.801) 1.801 0.814 ( 0.000 0.000 -0.282) 0.282 0.814 ( 0.000 0.000 0.282) 0.282 0.899 ( 0.000 0.000 -0.965) 0.965 0.899 ( 0.000 0.000 0.965) 0.965 0.904 ( 0.000 0.000 -2.547) 2.547 0.904 ( 0.000 0.000 2.547) 2.547 0.936 ( 0.000 0.000 -0.786) 0.786 0.936 ( 0.000 0.000 0.786) 0.786 1.002 ( 0.000 0.000 -3.028) 3.028 1.002 ( 0.000 0.000 3.028) 3.028 1.030 ( 0.000 0.000 -2.021) 2.021 1.030 ( 0.000 0.000 2.021) 2.021 1.076 ( 0.000 0.000 -1.376) 1.376 1.076 ( 0.000 0.000 1.376) 1.376 1.105 ( 0.000 0.000 -1.633) 1.633 1.105 ( 0.000 0.000 1.633) 1.633 1.129 ( 0.000 0.000 -3.525) 3.525 1.129 ( 0.000 0.000 3.525) 3.525 1.193 ( 0.000 0.000 -3.582) 3.582 1.193 ( 0.000 0.000 3.582) 3.582 1.209 ( 0.000 0.000 -0.926) 0.926 1.209 ( 0.000 0.000 0.926) 0.926 1.223 ( 0.000 0.000 -0.433) 0.433 1.223 ( 0.000 0.000 0.433) 0.433 1.281 ( 0.000 0.000 -0.393) 0.393 1.281 ( 0.000 0.000 0.393) 0.393 1.289 ( 0.000 0.000 -0.914) 0.914 1.289 ( 0.000 0.000 0.914) 0.914 1.343 ( 0.000 0.000 -3.749) 3.749 1.343 ( 0.000 0.000 3.749) 3.749 1.357 ( 0.000 0.000 -0.116) 0.116 1.357 ( 0.000 0.000 0.116) 0.116 1.403 ( 0.000 0.000 -1.064) 1.064 1.403 ( 0.000 0.000 1.064) 1.064 1.433 ( 0.000 0.000 -0.305) 0.305 1.433 ( 0.000 0.000 0.305) 0.305 1.443 ( 0.000 0.000 -1.391) 1.391 1.443 ( 0.000 0.000 1.391) 1.391 1.501 ( 0.000 0.000 -1.214) 1.214 1.501 ( 0.000 0.000 1.214) 1.214 1.530 ( 0.000 0.000 -0.863) 0.863 1.530 ( 0.000 0.000 0.863) 0.863 1.620 ( 0.000 0.000 -2.378) 2.378 1.620 ( 0.000 0.000 2.378) 2.378 1.655 ( 0.000 0.000 -2.498) 2.498 1.655 ( 0.000 0.000 2.498) 2.498 1.799 ( 0.000 0.000 -1.242) 1.242 1.799 ( 0.000 0.000 1.242) 1.242 1.837 ( 0.000 0.000 -0.723) 0.723 1.837 ( 0.000 0.000 0.723) 0.723 1.882 ( 0.000 0.000 -1.399) 1.399 1.882 ( 0.000 0.000 1.399) 1.399 1.944 ( 0.000 0.000 -2.179) 2.179 1.944 ( 0.000 0.000 2.179) 2.179 2.182 ( 0.000 0.000 -1.161) 1.161 2.182 ( 0.000 0.000 1.161) 1.161 2.278 ( 0.000 0.000 -2.038) 2.038 2.278 ( 0.000 0.000 2.038) 2.038 2.294 ( 0.000 0.000 -3.107) 3.107 2.294 ( 0.000 0.000 3.107) 3.107 2.372 ( 0.000 0.000 -0.077) 0.077 2.372 ( 0.000 0.000 0.077) 0.077 2.411 ( 0.000 0.000 -1.321) 1.321 2.411 ( 0.000 0.000 1.321) 1.321 2.466 ( 0.000 0.000 -0.562) 0.562 2.466 ( 0.000 0.000 0.562) 0.562 2.473 ( 0.000 0.000 -0.421) 0.421 2.473 ( 0.000 0.000 0.421) 0.421 2.587 ( 0.000 0.000 -0.916) 0.916 2.587 ( 0.000 0.000 0.916) 0.916 2.740 ( 0.000 0.000 -1.407) 1.407 2.740 ( 0.000 0.000 1.407) 1.407 2.804 ( 0.000 0.000 -0.738) 0.738 2.804 ( 0.000 0.000 0.738) 0.738 2.828 ( 0.000 0.000 -1.006) 1.006 2.828 ( 0.000 0.000 1.006) 1.006 3.042 ( 0.000 0.000 -1.121) 1.121 3.042 ( 0.000 0.000 1.121) 1.121 3.574 ( 0.000 0.000 -5.118) 5.118 3.574 ( 0.000 0.000 5.118) 5.118 3.720 ( 0.000 0.000 -1.060) 1.060 3.720 ( 0.000 0.000 1.060) 1.060 3.812 ( 0.000 0.000 -1.669) 1.669 3.812 ( 0.000 0.000 1.669) 1.669 3.909 ( 0.000 0.000 -3.029) 3.029 3.909 ( 0.000 0.000 3.029) 3.029 4.093 ( 0.000 0.000 -2.507) 2.507 4.093 ( 0.000 0.000 2.507) 2.507 4.168 ( 0.000 0.000 -1.092) 1.092 4.168 ( 0.000 0.000 1.092) 1.092 4.256 ( 0.000 0.000 -2.412) 2.412 4.256 ( 0.000 0.000 2.412) 2.412 4.303 ( 0.000 0.000 -2.493) 2.493 4.303 ( 0.000 0.000 2.493) 2.493 4.520 ( 0.000 0.000 -3.510) 3.510 4.520 ( 0.000 0.000 3.510) 3.510 4.543 ( 0.000 0.000 -1.781) 1.781 4.543 ( 0.000 0.000 1.781) 1.781 4.696 ( 0.000 0.000 -0.432) 0.432 4.696 ( 0.000 0.000 0.432) 0.432 4.817 ( 0.000 0.000 -4.111) 4.111 4.817 ( 0.000 0.000 4.111) 4.111 5.340 ( 0.000 0.000 -1.512) 1.512 5.340 ( 0.000 0.000 1.512) 1.512 5.448 ( 0.000 0.000 -1.845) 1.845 5.448 ( 0.000 0.000 1.845) 1.845 5.548 ( 0.000 0.000 -1.086) 1.086 5.548 ( 0.000 0.000 1.086) 1.086 5.598 ( 0.000 0.000 -0.170) 0.170 5.598 ( 0.000 0.000 0.170) 0.170 5.634 ( 0.000 0.000 -0.355) 0.355 5.634 ( 0.000 0.000 0.355) 0.355 5.708 ( 0.000 0.000 -0.391) 0.391 5.708 ( 0.000 0.000 0.391) 0.391 5.822 ( 0.000 0.000 -0.094) 0.094 5.822 ( 0.000 0.000 0.094) 0.094 5.851 ( 0.000 0.000 -0.459) 0.459 5.851 ( 0.000 0.000 0.459) 0.459 6.340 ( 0.000 0.000 -0.339) 0.339 6.340 ( 0.000 0.000 0.339) 0.339 6.407 ( 0.000 0.000 -0.087) 0.087 6.407 ( 0.000 0.000 0.087) 0.087 6.464 ( 0.000 0.000 -0.146) 0.146 6.464 ( 0.000 0.000 0.146) 0.146 6.503 ( 0.000 0.000 -0.207) 0.207 6.503 ( 0.000 0.000 0.207) 0.207 8.994 ( 0.000 0.000 -0.920) 0.920 8.994 ( 0.000 0.000 0.920) 0.920 9.028 ( 0.000 0.000 -0.141) 0.141 9.028 ( 0.000 0.000 0.141) 0.141 9.077 ( 0.000 0.000 -1.733) 1.733 9.077 ( 0.000 0.000 1.733) 1.733 9.087 ( 0.000 0.000 -0.197) 0.197 9.087 ( 0.000 0.000 0.197) 0.197 9.393 ( 0.000 0.000 -0.274) 0.274 9.393 ( 0.000 0.000 0.274) 0.274 9.400 ( 0.000 0.000 -2.535) 2.535 9.400 ( 0.000 0.000 2.535) 2.535 9.548 ( 0.000 0.000 -0.036) 0.036 9.548 ( 0.000 0.000 0.036) 0.036 9.676 ( 0.000 0.000 -2.998) 2.998 9.676 ( 0.000 0.000 2.998) 2.998 10.457 ( 0.000 0.000 -0.077) 0.077 10.457 ( 0.000 0.000 0.077) 0.077 10.461 ( 0.000 0.000 -0.193) 0.193 10.461 ( 0.000 0.000 0.193) 0.193 10.527 ( 0.000 0.000 -0.152) 0.152 10.527 ( 0.000 0.000 0.152) 0.152 10.573 ( 0.000 0.000 -0.201) 0.201 10.573 ( 0.000 0.000 0.201) 0.201 ======================= Grid point 47 (17/30) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 4.952 0.000 -5.416) 7.339 0.299 ( 4.952 0.000 5.416) 7.339 0.343 ( 4.540 0.000 -8.446) 9.589 0.343 ( 4.540 0.000 8.446) 9.589 0.558 ( 7.862 0.000 -5.144) 9.396 0.558 ( 7.862 0.000 5.144) 9.396 0.622 ( -1.033 0.000 -2.019) 2.268 0.622 ( -1.033 0.000 2.019) 2.268 0.646 ( 0.533 0.000 -1.771) 1.849 0.646 ( 0.533 0.000 1.771) 1.849 0.699 ( 0.892 0.000 -2.074) 2.257 0.699 ( 0.892 0.000 2.074) 2.257 0.728 ( -2.309 0.000 -2.784) 3.616 0.728 ( -2.309 0.000 2.784) 3.616 0.765 ( 1.775 0.000 -2.724) 3.251 0.765 ( 1.775 0.000 2.724) 3.251 0.802 ( 4.504 0.000 -0.796) 4.574 0.802 ( 4.504 0.000 0.796) 4.574 0.873 ( 2.694 0.000 -2.179) 3.464 0.873 ( 2.694 0.000 2.179) 3.464 0.924 ( 1.484 0.000 -2.430) 2.847 0.924 ( 1.484 0.000 2.430) 2.847 0.938 ( 3.260 0.000 -0.935) 3.391 0.938 ( 3.260 0.000 0.935) 3.391 0.967 ( 2.664 0.000 -1.651) 3.134 0.967 ( 2.664 0.000 1.651) 3.134 1.031 ( 2.971 0.000 -1.594) 3.372 1.031 ( 2.971 0.000 1.594) 3.372 1.055 ( 2.361 0.000 -2.706) 3.591 1.055 ( 2.361 0.000 2.706) 3.591 1.069 ( -0.405 0.000 -1.365) 1.424 1.069 ( -0.405 0.000 1.365) 1.424 1.098 ( 0.235 0.000 -0.057) 0.241 1.098 ( 0.235 0.000 0.057) 0.241 1.161 ( -0.154 0.000 -0.891) 0.904 1.161 ( -0.154 0.000 0.891) 0.904 1.187 ( 1.837 0.000 -2.805) 3.353 1.187 ( 1.837 0.000 2.805) 3.353 1.208 ( -0.673 0.000 -0.025) 0.673 1.208 ( -0.673 0.000 0.025) 0.673 1.221 ( 0.085 0.000 -0.858) 0.862 1.221 ( 0.085 0.000 0.858) 0.862 1.283 ( 1.051 0.000 -0.354) 1.109 1.283 ( 1.051 0.000 0.354) 1.109 1.304 ( 0.587 0.000 -0.560) 0.811 1.304 ( 0.587 0.000 0.560) 0.811 1.348 ( -0.220 0.000 -3.013) 3.021 1.348 ( -0.220 0.000 3.013) 3.021 1.352 ( -1.988 0.000 -0.200) 1.998 1.352 ( -1.988 0.000 0.200) 1.998 1.366 ( 0.413 0.000 -0.934) 1.021 1.366 ( 0.413 0.000 0.934) 1.021 1.445 ( 0.694 0.000 -0.468) 0.837 1.445 ( 0.694 0.000 0.468) 0.837 1.482 ( 1.894 0.000 -0.433) 1.943 1.482 ( 1.894 0.000 0.433) 1.943 1.503 ( 1.453 0.000 -0.086) 1.455 1.503 ( 1.453 0.000 0.086) 1.455 1.555 ( 1.625 0.000 -1.086) 1.954 1.555 ( 1.625 0.000 1.086) 1.954 1.615 ( -0.547 0.000 -1.609) 1.700 1.615 ( -0.547 0.000 1.609) 1.700 1.648 ( -0.275 0.000 -2.507) 2.522 1.648 ( -0.275 0.000 2.507) 2.522 1.770 ( -4.403 0.000 -0.771) 4.470 1.770 ( -4.403 0.000 0.771) 4.470 1.796 ( -1.085 0.000 -1.738) 2.049 1.796 ( -1.085 0.000 1.738) 2.049 1.888 ( -2.062 0.000 -0.131) 2.066 1.888 ( -2.062 0.000 0.131) 2.066 1.895 ( -1.644 0.000 -0.689) 1.782 1.895 ( -1.644 0.000 0.689) 1.782 2.235 ( 2.540 0.000 -0.600) 2.610 2.235 ( 2.540 0.000 0.600) 2.610 2.256 ( 1.680 0.000 -0.291) 1.705 2.256 ( 1.680 0.000 0.291) 1.705 2.336 ( 5.104 0.000 -0.837) 5.172 2.336 ( 5.104 0.000 0.837) 5.172 2.402 ( 0.478 0.000 -1.585) 1.656 2.402 ( 0.478 0.000 1.585) 1.656 2.415 ( 1.985 0.000 -0.682) 2.099 2.415 ( 1.985 0.000 0.682) 2.099 2.534 ( 5.084 0.000 -0.697) 5.132 2.534 ( 5.084 0.000 0.697) 5.132 2.547 ( 4.763 0.000 -1.366) 4.955 2.547 ( 4.763 0.000 1.366) 4.955 2.669 ( 5.396 0.000 -5.097) 7.423 2.669 ( 5.396 0.000 5.097) 7.423 2.756 ( 1.181 0.000 -0.978) 1.534 2.756 ( 1.181 0.000 0.978) 1.534 2.846 ( 2.910 0.000 -2.588) 3.894 2.846 ( 2.910 0.000 2.588) 3.894 2.875 ( 6.067 0.000 -0.140) 6.068 2.875 ( 6.067 0.000 0.140) 6.068 3.017 ( -2.259 0.000 -0.825) 2.405 3.017 ( -2.259 0.000 0.825) 2.405 3.572 ( -0.186 0.000 -4.132) 4.136 3.572 ( -0.186 0.000 4.132) 4.136 3.676 ( -3.755 0.000 -1.099) 3.913 3.676 ( -3.755 0.000 1.099) 3.913 3.783 ( -2.863 0.000 -1.873) 3.421 3.783 ( -2.863 0.000 1.873) 3.421 3.836 ( -5.132 0.000 -2.114) 5.550 3.836 ( -5.132 0.000 2.114) 5.550 4.084 ( -0.206 0.000 -1.887) 1.898 4.084 ( -0.206 0.000 1.887) 1.898 4.139 ( -1.260 0.000 -1.756) 2.162 4.139 ( -1.260 0.000 1.756) 2.162 4.250 ( -1.042 0.000 -1.451) 1.786 4.250 ( -1.042 0.000 1.451) 1.786 4.278 ( -2.039 0.000 -2.155) 2.967 4.278 ( -2.039 0.000 2.155) 2.967 4.517 ( -0.011 0.000 -2.230) 2.230 4.517 ( -0.011 0.000 2.230) 2.230 4.562 ( 1.250 0.000 -1.216) 1.743 4.562 ( 1.250 0.000 1.216) 1.743 4.657 ( -0.639 0.000 -2.000) 2.099 4.657 ( -0.639 0.000 2.000) 2.099 4.834 ( -0.631 0.000 -4.889) 4.929 4.834 ( -0.631 0.000 4.889) 4.929 5.364 ( 1.970 0.000 -1.423) 2.430 5.364 ( 1.970 0.000 1.423) 2.430 5.404 ( -2.341 0.000 -3.686) 4.367 5.404 ( -2.341 0.000 3.686) 4.367 5.532 ( -1.232 0.000 -2.652) 2.924 5.532 ( -1.232 0.000 2.652) 2.924 5.590 ( 1.728 0.000 -1.463) 2.264 5.590 ( 1.728 0.000 1.463) 2.264 5.649 ( 3.400 0.000 -0.279) 3.411 5.649 ( 3.400 0.000 0.279) 3.411 5.739 ( 3.237 0.000 -0.533) 3.281 5.739 ( 3.237 0.000 0.533) 3.281 5.851 ( 1.525 0.000 -0.779) 1.712 5.851 ( 1.525 0.000 0.779) 1.712 5.961 ( 3.094 0.000 -4.793) 5.705 5.961 ( 3.094 0.000 4.793) 5.705 6.311 ( -3.384 0.000 -0.871) 3.494 6.311 ( -3.384 0.000 0.871) 3.494 6.333 ( -1.144 0.000 -1.982) 2.288 6.333 ( -1.144 0.000 1.982) 2.288 6.502 ( -0.318 0.000 -0.124) 0.341 6.502 ( -0.318 0.000 0.124) 0.341 6.615 ( 5.832 0.000 -2.473) 6.335 6.615 ( 5.832 0.000 2.473) 6.335 9.005 ( 3.179 0.000 -0.453) 3.212 9.005 ( 3.179 0.000 0.453) 3.212 9.084 ( 1.843 0.000 -1.659) 2.480 9.084 ( 1.843 0.000 1.659) 2.480 9.131 ( 3.713 0.000 -1.512) 4.009 9.131 ( 3.713 0.000 1.512) 4.009 9.203 ( 8.389 0.000 -4.840) 9.686 9.203 ( 8.389 0.000 4.840) 9.686 9.367 ( -2.022 0.000 -0.047) 2.023 9.367 ( -2.022 0.000 0.047) 2.023 9.404 ( 0.130 0.000 -2.030) 2.034 9.404 ( 0.130 0.000 2.030) 2.034 9.554 ( -0.005 0.000 -0.526) 0.526 9.554 ( -0.005 0.000 0.526) 0.526 9.671 ( -0.282 0.000 -3.837) 3.847 9.671 ( -0.282 0.000 3.837) 3.847 10.446 ( -0.017 0.000 -0.638) 0.638 10.446 ( -0.017 0.000 0.638) 0.638 10.483 ( 1.324 0.000 -0.592) 1.450 10.483 ( 1.324 0.000 0.592) 1.450 10.525 ( 0.112 0.000 -0.612) 0.622 10.525 ( 0.112 0.000 0.612) 0.622 10.588 ( 1.327 0.000 -0.345) 1.371 10.588 ( 1.327 0.000 0.345) 1.371 ======================= Grid point 49 (18/30) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 5.154 0.000 -5.596) 7.608 0.406 ( 5.154 0.000 5.596) 7.608 0.466 ( 7.428 0.000 -6.267) 9.719 0.466 ( 7.428 0.000 6.267) 9.719 0.603 ( -0.875 0.000 -0.003) 0.875 0.603 ( -0.875 0.000 0.003) 0.875 0.630 ( 2.134 0.000 -2.002) 2.926 0.630 ( 2.134 0.000 2.002) 2.926 0.664 ( 1.356 0.000 -0.307) 1.390 0.664 ( 1.356 0.000 0.307) 1.390 0.715 ( 0.714 0.000 -4.440) 4.497 0.715 ( 0.714 0.000 4.440) 4.497 0.799 ( 4.950 0.000 -1.467) 5.163 0.799 ( 4.950 0.000 1.467) 5.163 0.845 ( 5.252 0.000 -3.674) 6.409 0.845 ( 5.252 0.000 3.674) 6.409 0.850 ( 0.750 0.000 -2.036) 2.170 0.850 ( 0.750 0.000 2.036) 2.170 0.938 ( 3.591 0.000 -2.715) 4.502 0.938 ( 3.591 0.000 2.715) 4.502 0.955 ( 1.276 0.000 -2.482) 2.791 0.955 ( 1.276 0.000 2.482) 2.791 0.998 ( 1.995 0.000 -1.519) 2.508 0.998 ( 1.995 0.000 1.519) 2.508 1.006 ( 1.447 0.000 -2.321) 2.735 1.006 ( 1.447 0.000 2.321) 2.735 1.054 ( -0.027 0.000 -0.625) 0.625 1.054 ( -0.027 0.000 0.625) 0.625 1.093 ( 0.238 0.000 -0.220) 0.324 1.093 ( 0.238 0.000 0.220) 0.324 1.099 ( 2.039 0.000 -1.481) 2.520 1.099 ( 2.039 0.000 1.481) 2.520 1.140 ( 4.348 0.000 -0.510) 4.378 1.140 ( 4.348 0.000 0.510) 4.378 1.149 ( -0.365 0.000 -2.196) 2.226 1.149 ( -0.365 0.000 2.196) 2.226 1.199 ( -0.631 0.000 -0.131) 0.645 1.199 ( -0.631 0.000 0.131) 0.645 1.224 ( 2.211 0.000 -0.210) 2.221 1.224 ( 2.211 0.000 0.210) 2.221 1.233 ( 1.431 0.000 -2.761) 3.110 1.233 ( 1.431 0.000 2.761) 3.110 1.294 ( 0.588 0.000 -0.231) 0.632 1.294 ( 0.588 0.000 0.231) 0.632 1.321 ( 1.006 0.000 -2.497) 2.691 1.321 ( 1.006 0.000 2.497) 2.691 1.338 ( 1.410 0.000 -1.773) 2.265 1.338 ( 1.410 0.000 1.773) 2.265 1.370 ( 2.045 0.000 -1.731) 2.679 1.370 ( 2.045 0.000 1.731) 2.679 1.382 ( 0.904 0.000 -0.805) 1.211 1.382 ( 0.904 0.000 0.805) 1.211 1.456 ( 0.052 0.000 -0.486) 0.488 1.456 ( 0.052 0.000 0.486) 0.488 1.489 ( -0.006 0.000 -0.592) 0.592 1.489 ( -0.006 0.000 0.592) 0.592 1.559 ( 1.743 0.000 -1.241) 2.140 1.559 ( 1.743 0.000 1.241) 2.140 1.586 ( 1.800 0.000 -0.081) 1.801 1.586 ( 1.800 0.000 0.081) 1.801 1.605 ( 0.036 0.000 -0.188) 0.192 1.605 ( 0.036 0.000 0.188) 0.192 1.656 ( 0.265 0.000 -2.403) 2.417 1.656 ( 0.265 0.000 2.403) 2.417 1.685 ( -2.665 0.000 -1.027) 2.856 1.685 ( -2.665 0.000 1.027) 2.856 1.762 ( -2.783 0.000 -1.716) 3.270 1.762 ( -2.783 0.000 1.716) 3.270 1.800 ( -3.284 0.000 -1.292) 3.529 1.800 ( -3.284 0.000 1.292) 3.529 1.909 ( 0.593 0.000 -1.621) 1.727 1.909 ( 0.593 0.000 1.621) 1.727 2.279 ( 3.081 0.000 -0.889) 3.207 2.279 ( 3.081 0.000 0.889) 3.207 2.324 ( 3.388 0.000 -0.213) 3.394 2.324 ( 3.388 0.000 0.213) 3.394 2.422 ( 2.622 0.000 -1.126) 2.853 2.422 ( 2.622 0.000 1.126) 2.853 2.449 ( 3.772 0.000 -0.518) 3.808 2.449 ( 3.772 0.000 0.518) 3.808 2.477 ( 4.259 0.000 -0.071) 4.259 2.477 ( 4.259 0.000 0.071) 4.259 2.595 ( 1.639 0.000 -1.875) 2.490 2.595 ( 1.639 0.000 1.875) 2.490 2.663 ( 3.987 0.000 -1.098) 4.135 2.663 ( 3.987 0.000 1.098) 4.135 2.767 ( 6.069 0.000 -1.937) 6.370 2.767 ( 6.069 0.000 1.937) 6.370 2.835 ( 7.278 0.000 -0.669) 7.309 2.835 ( 7.278 0.000 0.669) 7.309 2.897 ( -0.212 0.000 -1.942) 1.954 2.897 ( -0.212 0.000 1.942) 1.954 2.951 ( 1.968 0.000 -0.115) 1.972 2.951 ( 1.968 0.000 0.115) 1.972 3.038 ( 6.275 0.000 -0.857) 6.333 3.038 ( 6.275 0.000 0.857) 6.333 3.567 ( -0.318 0.000 -1.772) 1.800 3.567 ( -0.318 0.000 1.772) 1.800 3.611 ( -2.231 0.000 -0.125) 2.234 3.611 ( -2.231 0.000 0.125) 2.234 3.710 ( -4.078 0.000 -2.278) 4.671 3.710 ( -4.078 0.000 2.278) 4.671 3.744 ( -4.353 0.000 -2.720) 5.133 3.744 ( -4.353 0.000 2.720) 5.133 4.090 ( 0.788 0.000 -1.706) 1.880 4.090 ( 0.788 0.000 1.706) 1.880 4.124 ( -0.331 0.000 -1.717) 1.748 4.124 ( -0.331 0.000 1.717) 1.748 4.218 ( -1.815 0.000 -0.635) 1.923 4.218 ( -1.815 0.000 0.635) 1.923 4.241 ( -1.625 0.000 -0.835) 1.827 4.241 ( -1.625 0.000 0.835) 1.827 4.517 ( -0.265 0.000 -0.586) 0.643 4.517 ( -0.265 0.000 0.586) 0.643 4.572 ( -0.625 0.000 -0.507) 0.805 4.572 ( -0.625 0.000 0.507) 0.805 4.675 ( 1.875 0.000 -1.499) 2.401 4.675 ( 1.875 0.000 1.499) 2.401 4.801 ( -1.913 0.000 -2.473) 3.126 4.801 ( -1.913 0.000 2.473) 3.126 5.378 ( -0.515 0.000 -3.212) 3.253 5.378 ( -0.515 0.000 3.212) 3.253 5.408 ( 2.186 0.000 -1.640) 2.732 5.408 ( 2.186 0.000 1.640) 2.732 5.522 ( -0.089 0.000 -0.907) 0.911 5.522 ( -0.089 0.000 0.907) 0.911 5.615 ( 0.174 0.000 -3.522) 3.526 5.615 ( 0.174 0.000 3.522) 3.526 5.734 ( 4.673 0.000 -1.620) 4.946 5.734 ( 4.673 0.000 1.620) 4.946 5.823 ( 4.848 0.000 -0.883) 4.928 5.823 ( 4.848 0.000 0.883) 4.928 5.896 ( 3.073 0.000 -0.573) 3.126 5.896 ( 3.073 0.000 0.573) 3.126 5.964 ( -1.266 0.000 -1.177) 1.728 5.964 ( -1.266 0.000 1.177) 1.728 6.254 ( -2.382 0.000 -0.461) 2.426 6.254 ( -2.382 0.000 0.461) 2.426 6.317 ( -0.639 0.000 -4.137) 4.186 6.317 ( -0.639 0.000 4.137) 4.186 6.482 ( -1.704 0.000 -0.461) 1.765 6.482 ( -1.704 0.000 0.461) 1.765 6.654 ( -1.077 0.000 -1.184) 1.601 6.654 ( -1.077 0.000 1.184) 1.601 9.087 ( 4.353 0.000 -0.035) 4.353 9.087 ( 4.353 0.000 0.035) 4.353 9.133 ( 2.575 0.000 -1.162) 2.825 9.133 ( 2.575 0.000 1.162) 2.825 9.188 ( 2.011 0.000 -1.754) 2.668 9.188 ( 2.011 0.000 1.754) 2.668 9.307 ( 0.328 0.000 -1.851) 1.880 9.307 ( 0.328 0.000 1.851) 1.880 9.333 ( 0.820 0.000 -1.365) 1.592 9.333 ( 0.820 0.000 1.365) 1.592 9.410 ( 0.407 0.000 -1.492) 1.546 9.410 ( 0.407 0.000 1.492) 1.546 9.539 ( -0.863 0.000 -2.035) 2.210 9.539 ( -0.863 0.000 2.035) 2.210 9.665 ( -0.626 0.000 -3.371) 3.429 9.665 ( -0.626 0.000 3.371) 3.429 10.465 ( 1.910 0.000 -0.774) 2.061 10.465 ( 1.910 0.000 0.774) 2.061 10.508 ( 1.249 0.000 -0.512) 1.350 10.508 ( 1.249 0.000 0.512) 1.350 10.547 ( 2.103 0.000 -0.911) 2.292 10.547 ( 2.103 0.000 0.911) 2.292 10.620 ( 1.778 0.000 -0.783) 1.943 10.620 ( 1.778 0.000 0.783) 1.943 ======================= Grid point 51 (19/30) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 3.341 0.000 -2.941) 4.451 0.488 ( 3.341 0.000 2.941) 4.451 0.584 ( -0.685 0.000 -0.333) 0.762 0.584 ( -0.685 0.000 0.333) 0.762 0.609 ( 5.141 0.000 -1.798) 5.446 0.609 ( 5.141 0.000 1.798) 5.446 0.654 ( 0.192 0.000 -0.784) 0.807 0.654 ( 0.192 0.000 0.784) 0.807 0.724 ( 3.460 0.000 -2.482) 4.258 0.724 ( 3.460 0.000 2.482) 4.258 0.755 ( 4.590 0.000 -0.960) 4.689 0.755 ( 4.590 0.000 0.960) 4.689 0.845 ( 1.107 0.000 -0.877) 1.413 0.845 ( 1.107 0.000 0.877) 1.413 0.882 ( 0.040 0.000 -0.586) 0.588 0.882 ( 0.040 0.000 0.586) 0.588 0.912 ( 3.504 0.000 -0.033) 3.504 0.912 ( 3.504 0.000 0.033) 3.504 0.967 ( -0.584 0.000 -1.013) 1.169 0.967 ( -0.584 0.000 1.013) 1.169 0.982 ( 0.447 0.000 -2.417) 2.458 0.982 ( 0.447 0.000 2.417) 2.458 1.017 ( 1.924 0.000 -0.758) 2.068 1.017 ( 1.924 0.000 0.758) 2.068 1.040 ( 1.514 0.000 -0.407) 1.568 1.040 ( 1.514 0.000 0.407) 1.568 1.060 ( -0.940 0.000 -0.427) 1.032 1.060 ( -0.940 0.000 0.427) 1.032 1.088 ( 1.214 0.000 -1.232) 1.729 1.088 ( 1.214 0.000 1.232) 1.729 1.132 ( -0.510 0.000 -0.651) 0.827 1.132 ( -0.510 0.000 0.651) 0.827 1.157 ( 2.248 0.000 -1.409) 2.654 1.157 ( 2.248 0.000 1.409) 2.654 1.167 ( 0.200 0.000 -0.454) 0.496 1.167 ( 0.200 0.000 0.454) 0.496 1.207 ( 0.468 0.000 -0.597) 0.758 1.207 ( 0.468 0.000 0.597) 0.758 1.249 ( 1.953 0.000 -1.221) 2.303 1.249 ( 1.953 0.000 1.221) 2.303 1.277 ( 0.751 0.000 -0.615) 0.971 1.277 ( 0.751 0.000 0.615) 0.971 1.312 ( -0.187 0.000 -1.648) 1.659 1.312 ( -0.187 0.000 1.648) 1.659 1.342 ( 0.569 0.000 -2.354) 2.422 1.342 ( 0.569 0.000 2.354) 2.422 1.397 ( 1.283 0.000 -1.891) 2.285 1.397 ( 1.283 0.000 1.891) 2.285 1.404 ( 2.832 0.000 -1.723) 3.315 1.404 ( 2.832 0.000 1.723) 3.315 1.417 ( 2.860 0.000 -0.602) 2.922 1.417 ( 2.860 0.000 0.602) 2.922 1.447 ( 0.082 0.000 -0.479) 0.486 1.447 ( 0.082 0.000 0.479) 0.486 1.485 ( -0.553 0.000 -1.164) 1.289 1.485 ( -0.553 0.000 1.164) 1.289 1.547 ( -2.064 0.000 -0.186) 2.072 1.547 ( -2.064 0.000 0.186) 2.072 1.584 ( -2.317 0.000 -1.561) 2.794 1.584 ( -2.317 0.000 1.561) 2.794 1.630 ( 1.279 0.000 -0.796) 1.506 1.630 ( 1.279 0.000 0.796) 1.506 1.645 ( 2.338 0.000 -1.653) 2.863 1.645 ( 2.338 0.000 1.653) 2.863 1.713 ( 1.718 0.000 -1.356) 2.189 1.713 ( 1.718 0.000 1.356) 2.189 1.726 ( 0.619 0.000 -0.162) 0.640 1.726 ( 0.619 0.000 0.162) 0.640 1.774 ( 0.283 0.000 -0.788) 0.837 1.774 ( 0.283 0.000 0.788) 0.837 1.908 ( -0.742 0.000 -1.100) 1.327 1.908 ( -0.742 0.000 1.100) 1.327 2.352 ( 3.941 0.000 -1.022) 4.071 2.352 ( 3.941 0.000 1.022) 4.071 2.383 ( 2.750 0.000 -0.073) 2.751 2.383 ( 2.750 0.000 0.073) 2.751 2.480 ( 2.669 0.000 -1.937) 3.298 2.480 ( 2.669 0.000 1.937) 3.298 2.506 ( 2.337 0.000 -0.989) 2.538 2.506 ( 2.337 0.000 0.989) 2.538 2.533 ( 0.913 0.000 -0.338) 0.973 2.533 ( 0.913 0.000 0.338) 0.973 2.609 ( 0.068 0.000 -1.630) 1.632 2.609 ( 0.068 0.000 1.630) 1.632 2.692 ( 0.183 0.000 -1.909) 1.918 2.692 ( 0.183 0.000 1.909) 1.918 2.800 ( -4.838 0.000 -0.169) 4.841 2.800 ( -4.838 0.000 0.169) 4.841 2.943 ( 7.977 0.000 -0.425) 7.989 2.943 ( 7.977 0.000 0.425) 7.989 2.991 ( 7.363 0.000 -0.172) 7.365 2.991 ( 7.363 0.000 0.172) 7.365 3.069 ( 7.342 0.000 -0.046) 7.342 3.069 ( 7.342 0.000 0.046) 7.342 3.157 ( 5.133 0.000 -0.371) 5.146 3.157 ( 5.133 0.000 0.371) 5.146 3.557 ( -0.730 0.000 -0.718) 1.024 3.557 ( -0.730 0.000 0.718) 1.024 3.589 ( -0.606 0.000 -0.757) 0.970 3.589 ( -0.606 0.000 0.757) 0.970 3.639 ( -2.577 0.000 -2.373) 3.503 3.639 ( -2.577 0.000 2.373) 3.503 3.668 ( -2.859 0.000 -2.246) 3.636 3.668 ( -2.859 0.000 2.246) 3.636 4.109 ( 0.855 0.000 -0.995) 1.312 4.109 ( 0.855 0.000 0.995) 1.312 4.131 ( 1.182 0.000 -1.854) 2.199 4.131 ( 1.182 0.000 1.854) 2.199 4.188 ( -1.306 0.000 -0.165) 1.317 4.188 ( -1.306 0.000 0.165) 1.317 4.213 ( -1.207 0.000 -0.192) 1.222 4.213 ( -1.207 0.000 0.192) 1.222 4.497 ( -1.703 0.000 -0.446) 1.760 4.497 ( -1.703 0.000 0.446) 1.760 4.536 ( -2.698 0.000 -0.895) 2.842 4.536 ( -2.698 0.000 0.895) 2.842 4.715 ( 1.942 0.000 -1.068) 2.216 4.715 ( 1.942 0.000 1.068) 2.216 4.776 ( -0.573 0.000 -0.708) 0.911 4.776 ( -0.573 0.000 0.708) 0.911 5.373 ( 0.075 0.000 -2.586) 2.587 5.373 ( 0.075 0.000 2.586) 2.587 5.444 ( 0.969 0.000 -2.608) 2.782 5.444 ( 0.969 0.000 2.608) 2.782 5.523 ( 0.201 0.000 -0.325) 0.382 5.523 ( 0.201 0.000 0.325) 0.382 5.592 ( -2.034 0.000 -3.274) 3.854 5.592 ( -2.034 0.000 3.274) 3.854 5.820 ( 3.783 0.000 -2.053) 4.304 5.820 ( 3.783 0.000 2.053) 4.304 5.906 ( 2.662 0.000 -0.094) 2.663 5.906 ( 2.662 0.000 0.094) 2.663 5.951 ( 0.887 0.000 -0.007) 0.887 5.951 ( 0.887 0.000 0.007) 0.887 5.967 ( 3.414 0.000 -0.610) 3.468 5.967 ( 3.414 0.000 0.610) 3.468 6.220 ( -0.858 0.000 -1.483) 1.713 6.220 ( -0.858 0.000 1.483) 1.713 6.306 ( -0.605 0.000 -4.552) 4.592 6.306 ( -0.605 0.000 4.552) 4.592 6.442 ( -1.871 0.000 -1.177) 2.211 6.442 ( -1.871 0.000 1.177) 2.211 6.597 ( -4.237 0.000 -2.483) 4.911 6.597 ( -4.237 0.000 2.483) 4.911 9.142 ( 1.079 0.000 -0.134) 1.087 9.142 ( 1.079 0.000 0.134) 1.087 9.186 ( 2.689 0.000 -1.320) 2.996 9.186 ( 2.689 0.000 1.320) 2.996 9.208 ( -0.104 0.000 -1.301) 1.305 9.208 ( -0.104 0.000 1.301) 1.305 9.287 ( -0.241 0.000 -1.602) 1.621 9.287 ( -0.241 0.000 1.602) 1.621 9.358 ( 0.466 0.000 -0.027) 0.467 9.358 ( 0.466 0.000 0.027) 0.467 9.410 ( -0.446 0.000 -1.792) 1.846 9.410 ( -0.446 0.000 1.792) 1.846 9.546 ( 1.430 0.000 -1.358) 1.972 9.546 ( 1.430 0.000 1.358) 1.972 9.642 ( -1.606 0.000 -1.850) 2.450 9.642 ( -1.606 0.000 1.850) 2.450 10.513 ( 2.679 0.000 -0.671) 2.762 10.513 ( 2.679 0.000 0.671) 2.762 10.538 ( 1.747 0.000 -0.321) 1.776 10.538 ( 1.747 0.000 0.321) 1.776 10.596 ( 2.573 0.000 -0.182) 2.579 10.596 ( 2.573 0.000 0.182) 2.579 10.651 ( 1.232 0.000 -0.819) 1.479 10.651 ( 1.232 0.000 0.819) 1.479 ======================= Grid point 53 (20/30) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 2.306 0.000 -1.267) 2.632 0.544 ( 2.306 0.000 1.267) 2.632 0.574 ( -0.684 0.000 -0.607) 0.915 0.574 ( -0.684 0.000 0.607) 0.915 0.638 ( -0.297 0.000 -1.272) 1.307 0.638 ( -0.297 0.000 1.272) 1.307 0.644 ( -0.831 0.000 -1.228) 1.482 0.644 ( -0.831 0.000 1.228) 1.482 0.800 ( 3.488 0.000 -0.800) 3.579 0.800 ( 3.488 0.000 0.800) 3.579 0.854 ( -2.128 0.000 -0.217) 2.139 0.854 ( -2.128 0.000 0.217) 2.139 0.878 ( 5.791 0.000 -0.004) 5.791 0.878 ( 5.791 0.000 0.004) 5.791 0.884 ( 2.735 0.000 -0.912) 2.883 0.884 ( 2.735 0.000 0.912) 2.883 0.939 ( -1.239 0.000 -1.153) 1.693 0.939 ( -1.239 0.000 1.153) 1.693 0.962 ( 0.685 0.000 -0.952) 1.173 0.962 ( 0.685 0.000 0.952) 1.173 0.989 ( -0.329 0.000 -0.204) 0.387 0.989 ( -0.329 0.000 0.204) 0.387 1.009 ( -3.085 0.000 -0.899) 3.214 1.009 ( -3.085 0.000 0.899) 3.214 1.044 ( 1.635 0.000 -1.264) 2.067 1.044 ( 1.635 0.000 1.264) 2.067 1.080 ( -1.562 0.000 -0.553) 1.657 1.080 ( -1.562 0.000 0.553) 1.657 1.097 ( 2.818 0.000 -0.418) 2.849 1.097 ( 2.818 0.000 0.418) 2.849 1.143 ( -0.900 0.000 -1.718) 1.939 1.143 ( -0.900 0.000 1.718) 1.939 1.158 ( 1.335 0.000 -0.512) 1.430 1.158 ( 1.335 0.000 0.512) 1.430 1.187 ( -0.416 0.000 -0.367) 0.555 1.187 ( -0.416 0.000 0.367) 0.555 1.230 ( 1.876 0.000 -0.251) 1.893 1.230 ( 1.876 0.000 0.251) 1.893 1.268 ( -1.684 0.000 -2.134) 2.718 1.268 ( -1.684 0.000 2.134) 2.718 1.288 ( 1.559 0.000 -2.110) 2.624 1.288 ( 1.559 0.000 2.110) 2.624 1.303 ( -0.006 0.000 -2.130) 2.130 1.303 ( -0.006 0.000 2.130) 2.130 1.360 ( 1.373 0.000 -0.339) 1.414 1.360 ( 1.373 0.000 0.339) 1.414 1.393 ( -1.554 0.000 -0.488) 1.629 1.393 ( -1.554 0.000 0.488) 1.629 1.412 ( 0.627 0.000 -2.163) 2.252 1.412 ( 0.627 0.000 2.163) 2.252 1.430 ( -1.165 0.000 -1.509) 1.906 1.430 ( -1.165 0.000 1.509) 1.906 1.477 ( 1.284 0.000 -0.968) 1.608 1.477 ( 1.284 0.000 0.968) 1.608 1.501 ( 1.488 0.000 -2.458) 2.874 1.501 ( 1.488 0.000 2.458) 2.874 1.507 ( -1.467 0.000 -0.729) 1.638 1.507 ( -1.467 0.000 0.729) 1.638 1.537 ( -2.119 0.000 -2.437) 3.229 1.537 ( -2.119 0.000 2.437) 3.229 1.671 ( 2.345 0.000 -1.056) 2.572 1.671 ( 2.345 0.000 1.056) 2.572 1.690 ( 1.064 0.000 -2.530) 2.744 1.690 ( 1.064 0.000 2.530) 2.744 1.731 ( 0.408 0.000 -1.546) 1.599 1.731 ( 0.408 0.000 1.546) 1.599 1.738 ( 0.025 0.000 -1.363) 1.364 1.738 ( 0.025 0.000 1.363) 1.364 1.818 ( 3.403 0.000 -0.461) 3.434 1.818 ( 3.403 0.000 0.461) 3.434 1.878 ( -2.343 0.000 -0.364) 2.371 1.878 ( -2.343 0.000 0.364) 2.371 2.416 ( 2.339 0.000 -0.316) 2.360 2.416 ( 2.339 0.000 0.316) 2.360 2.432 ( 1.396 0.000 -0.847) 1.633 2.432 ( 1.396 0.000 0.847) 1.633 2.504 ( 0.626 0.000 -0.569) 0.846 2.504 ( 0.626 0.000 0.569) 0.846 2.529 ( -1.043 0.000 -1.248) 1.626 2.529 ( -1.043 0.000 1.248) 1.626 2.556 ( 2.463 0.000 -0.657) 2.549 2.556 ( 2.463 0.000 0.657) 2.549 2.596 ( -1.470 0.000 -0.214) 1.486 2.596 ( -1.470 0.000 0.214) 1.486 2.693 ( 0.218 0.000 -0.447) 0.497 2.693 ( 0.218 0.000 0.447) 0.497 2.717 ( -2.760 0.000 -0.138) 2.764 2.717 ( -2.760 0.000 0.138) 2.764 3.068 ( 4.060 0.000 -1.230) 4.242 3.068 ( 4.060 0.000 1.230) 4.242 3.091 ( 2.004 0.000 -0.696) 2.121 3.091 ( 2.004 0.000 0.696) 2.121 3.190 ( 4.281 0.000 -0.136) 4.283 3.190 ( 4.281 0.000 0.137) 4.283 3.223 ( 1.061 0.000 -0.397) 1.133 3.223 ( 1.061 0.000 0.397) 1.133 3.544 ( -0.183 0.000 -1.910) 1.919 3.544 ( -0.183 0.000 1.910) 1.919 3.560 ( -1.722 0.000 -1.709) 2.426 3.560 ( -1.722 0.000 1.709) 2.426 3.627 ( 0.686 0.000 -0.264) 0.735 3.627 ( 0.686 0.000 0.264) 0.735 3.640 ( -0.555 0.000 -1.397) 1.503 3.640 ( -0.555 0.000 1.397) 1.503 4.128 ( 1.253 0.000 -0.962) 1.580 4.128 ( 1.253 0.000 0.962) 1.580 4.153 ( -0.488 0.000 -0.750) 0.894 4.153 ( -0.488 0.000 0.750) 0.894 4.171 ( 0.700 0.000 -0.611) 0.929 4.171 ( 0.700 0.000 0.611) 0.929 4.193 ( -0.946 0.000 -0.222) 0.972 4.193 ( -0.946 0.000 0.222) 0.972 4.466 ( -0.753 0.000 -0.455) 0.880 4.466 ( -0.753 0.000 0.455) 0.880 4.482 ( -2.229 0.000 -0.334) 2.254 4.482 ( -2.229 0.000 0.334) 2.254 4.748 ( 1.399 0.000 -0.568) 1.510 4.748 ( 1.399 0.000 0.568) 1.510 4.768 ( -0.563 0.000 -0.024) 0.563 4.768 ( -0.563 0.000 0.024) 0.563 5.386 ( 1.456 0.000 -1.009) 1.772 5.386 ( 1.456 0.000 1.009) 1.772 5.427 ( -2.232 0.000 -1.422) 2.646 5.427 ( -2.232 0.000 1.422) 2.646 5.536 ( 1.118 0.000 -1.351) 1.754 5.536 ( 1.118 0.000 1.351) 1.754 5.559 ( -1.219 0.000 -2.098) 2.426 5.559 ( -1.219 0.000 2.098) 2.426 5.882 ( 2.471 0.000 -1.737) 3.021 5.882 ( 2.471 0.000 1.737) 3.021 5.915 ( -0.893 0.000 -1.302) 1.579 5.915 ( -0.893 0.000 1.302) 1.579 5.992 ( 2.169 0.000 -0.792) 2.310 5.992 ( 2.169 0.000 0.792) 2.310 6.012 ( 0.588 0.000 -0.382) 0.701 6.012 ( 0.588 0.000 0.382) 0.701 6.230 ( 1.849 0.000 -1.829) 2.601 6.230 ( 1.849 0.000 1.829) 2.601 6.278 ( -2.408 0.000 -3.183) 3.991 6.278 ( -2.408 0.000 3.183) 3.991 6.437 ( 1.845 0.000 -1.597) 2.440 6.437 ( 1.845 0.000 1.597) 2.440 6.506 ( -4.529 0.000 -2.020) 4.959 6.506 ( -4.529 0.000 2.020) 4.959 9.157 ( 0.812 0.000 -0.044) 0.813 9.157 ( 0.812 0.000 0.044) 0.813 9.180 ( -1.438 0.000 -0.307) 1.471 9.180 ( -1.438 0.000 0.307) 1.471 9.242 ( 2.203 0.000 -1.816) 2.855 9.242 ( 2.203 0.000 1.816) 2.855 9.278 ( -1.261 0.000 -2.058) 2.414 9.278 ( -1.261 0.000 2.058) 2.414 9.372 ( 1.261 0.000 -1.276) 1.794 9.372 ( 1.261 0.000 1.276) 1.794 9.397 ( -0.968 0.000 -2.043) 2.260 9.397 ( -0.968 0.000 2.043) 2.260 9.578 ( 1.561 0.000 -0.213) 1.575 9.578 ( 1.561 0.000 0.213) 1.575 9.608 ( -1.647 0.000 -0.736) 1.804 9.608 ( -1.647 0.000 0.736) 1.804 10.557 ( 1.468 0.000 -0.638) 1.601 10.557 ( 1.468 0.000 0.638) 1.601 10.565 ( 0.646 0.000 -0.669) 0.930 10.565 ( 0.646 0.000 0.669) 0.930 10.641 ( 1.821 0.000 -0.344) 1.854 10.641 ( 1.821 0.000 0.344) 1.854 10.662 ( -0.248 0.000 -0.646) 0.692 10.662 ( -0.248 0.000 0.646) 0.692 ======================= Grid point 63 (21/30) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( 0.000 2.694 -8.983) 9.379 0.263 ( 0.000 2.694 8.983) 9.379 0.311 ( 0.000 6.096 -7.689) 9.812 0.311 ( 0.000 6.096 7.689) 9.812 0.547 ( 0.000 2.828 -6.945) 7.498 0.547 ( 0.000 2.828 6.945) 7.498 0.583 ( 0.000 -6.577 -3.741) 7.567 0.583 ( 0.000 -6.577 3.741) 7.567 0.657 ( 0.000 -0.228 -5.788) 5.792 0.657 ( 0.000 -0.228 5.788) 5.792 0.659 ( 0.000 -1.862 -2.192) 2.877 0.659 ( 0.000 -1.862 2.192) 2.877 0.715 ( 0.000 1.026 -4.212) 4.335 0.715 ( 0.000 1.026 4.212) 4.335 0.740 ( 0.000 0.331 -4.894) 4.905 0.740 ( 0.000 0.331 4.894) 4.905 0.813 ( 0.000 -1.274 -3.058) 3.313 0.813 ( 0.000 -1.274 3.058) 3.313 0.824 ( 0.000 1.788 -1.373) 2.255 0.824 ( 0.000 1.788 1.373) 2.255 0.894 ( 0.000 0.461 -1.701) 1.762 0.894 ( 0.000 0.461 1.701) 1.762 0.915 ( 0.000 0.376 -2.635) 2.662 0.915 ( 0.000 0.376 2.635) 2.662 0.991 ( 0.000 3.072 -0.916) 3.206 0.991 ( 0.000 3.072 0.916) 3.206 1.011 ( 0.000 0.545 -2.495) 2.553 1.011 ( 0.000 0.545 2.495) 2.553 1.031 ( 0.000 0.293 -2.652) 2.668 1.031 ( 0.000 0.293 2.652) 2.668 1.065 ( 0.000 0.235 -1.985) 1.999 1.065 ( 0.000 0.235 1.985) 1.999 1.104 ( 0.000 -2.141 -2.959) 3.652 1.104 ( 0.000 -2.141 2.959) 3.652 1.130 ( 0.000 1.955 -2.203) 2.946 1.130 ( 0.000 1.955 2.203) 2.946 1.177 ( 0.000 -3.045 -1.032) 3.215 1.177 ( 0.000 -3.045 1.032) 3.215 1.202 ( 0.000 -1.120 -1.038) 1.527 1.202 ( 0.000 -1.120 1.038) 1.527 1.214 ( 0.000 1.745 -2.688) 3.205 1.214 ( 0.000 1.745 2.688) 3.205 1.285 ( 0.000 -0.142 -0.390) 0.415 1.285 ( 0.000 -0.142 0.390) 0.415 1.285 ( 0.000 -0.752 -0.497) 0.901 1.285 ( 0.000 -0.752 0.497) 0.901 1.347 ( 0.000 -0.955 -1.704) 1.953 1.347 ( 0.000 -0.955 1.704) 1.953 1.352 ( 0.000 1.071 -3.678) 3.830 1.352 ( 0.000 1.071 3.678) 3.830 1.376 ( 0.000 -1.508 -1.340) 2.017 1.376 ( 0.000 -1.508 1.340) 2.017 1.432 ( 0.000 0.072 -1.342) 1.344 1.432 ( 0.000 0.072 1.342) 1.344 1.446 ( 0.000 -0.155 -0.760) 0.775 1.446 ( 0.000 -0.155 0.760) 0.775 1.508 ( 0.000 0.547 -2.145) 2.213 1.508 ( 0.000 0.547 2.145) 2.213 1.534 ( 0.000 0.427 -1.436) 1.498 1.534 ( 0.000 0.427 1.436) 1.498 1.590 ( 0.000 -2.388 -2.625) 3.549 1.590 ( 0.000 -2.388 2.625) 3.549 1.624 ( 0.000 -2.800 -2.414) 3.697 1.624 ( 0.000 -2.800 2.414) 3.697 1.800 ( 0.000 0.309 -1.364) 1.399 1.800 ( 0.000 0.309 1.364) 1.399 1.827 ( 0.000 -0.599 -0.489) 0.774 1.827 ( 0.000 -0.599 0.489) 0.774 1.879 ( 0.000 -0.110 -0.807) 0.815 1.879 ( 0.000 -0.110 0.807) 0.815 1.923 ( 0.000 -1.708 -2.981) 3.436 1.923 ( 0.000 -1.708 2.981) 3.436 2.199 ( 0.000 1.407 -0.536) 1.506 2.199 ( 0.000 1.407 0.536) 1.506 2.248 ( 0.000 -2.147 -2.863) 3.579 2.248 ( 0.000 -2.147 2.863) 3.579 2.301 ( 0.000 0.546 -2.344) 2.407 2.301 ( 0.000 0.546 2.344) 2.407 2.314 ( 0.000 0.232 -2.324) 2.335 2.314 ( 0.000 0.232 2.324) 2.335 2.480 ( 0.000 0.846 -0.054) 0.848 2.480 ( 0.000 0.846 0.054) 0.848 2.482 ( 0.000 1.571 -2.796) 3.207 2.482 ( 0.000 1.571 2.796) 3.207 2.507 ( 0.000 3.443 -0.337) 3.460 2.507 ( 0.000 3.443 0.337) 3.460 2.636 ( 0.000 0.611 -2.951) 3.014 2.636 ( 0.000 0.611 2.951) 3.014 2.757 ( 0.000 1.527 -1.011) 1.831 2.757 ( 0.000 1.527 1.011) 1.831 2.825 ( 0.000 -0.401 -0.984) 1.063 2.825 ( 0.000 -0.401 0.984) 1.063 2.853 ( 0.000 3.884 -2.703) 4.731 2.853 ( 0.000 3.884 2.703) 4.731 3.004 ( 0.000 -3.320 -2.513) 4.164 3.004 ( 0.000 -3.320 2.513) 4.164 3.573 ( 0.000 0.161 -4.981) 4.984 3.573 ( 0.000 0.161 4.981) 4.984 3.679 ( 0.000 -4.225 -1.064) 4.357 3.679 ( 0.000 -4.225 1.064) 4.357 3.812 ( 0.000 -0.055 -1.977) 1.978 3.812 ( 0.000 -0.055 1.977) 1.978 3.834 ( 0.000 -3.086 -2.168) 3.771 3.834 ( 0.000 -3.086 2.168) 3.771 4.127 ( 0.000 2.852 -1.482) 3.214 4.127 ( 0.000 2.852 1.482) 3.214 4.179 ( 0.000 0.718 -3.484) 3.557 4.179 ( 0.000 0.718 3.484) 3.557 4.262 ( 0.000 0.618 -1.836) 1.937 4.262 ( 0.000 0.618 1.836) 1.937 4.307 ( 0.000 -0.096 -2.210) 2.212 4.307 ( 0.000 -0.096 2.210) 2.212 4.522 ( 0.000 0.058 -2.908) 2.908 4.522 ( 0.000 0.058 2.908) 2.908 4.530 ( 0.000 -0.942 -0.822) 1.250 4.530 ( 0.000 -0.942 0.822) 1.250 4.688 ( 0.000 0.674 -2.399) 2.492 4.688 ( 0.000 0.674 2.399) 2.492 4.788 ( 0.000 -2.517 -3.597) 4.390 4.788 ( 0.000 -2.517 3.597) 4.390 5.333 ( 0.000 -0.127 -3.395) 3.398 5.333 ( 0.000 -0.127 3.395) 3.398 5.417 ( 0.000 -5.155 -6.026) 7.930 5.417 ( 0.000 -5.155 6.026) 7.930 5.489 ( 0.000 3.168 -2.111) 3.807 5.489 ( 0.000 3.168 2.111) 3.807 5.576 ( 0.000 -0.567 -1.303) 1.422 5.576 ( 0.000 -0.567 1.303) 1.422 5.722 ( 0.000 2.393 -1.788) 2.988 5.722 ( 0.000 2.393 1.788) 2.988 5.796 ( 0.000 4.166 -2.925) 5.091 5.796 ( 0.000 4.166 2.925) 5.091 5.802 ( 0.000 -1.519 -0.990) 1.813 5.802 ( 0.000 -1.519 0.990) 1.813 5.852 ( 0.000 -0.232 -0.299) 0.378 5.852 ( 0.000 -0.232 0.299) 0.378 6.334 ( 0.000 0.008 -1.260) 1.260 6.334 ( 0.000 0.008 1.260) 1.260 6.393 ( 0.000 -3.122 -3.390) 4.609 6.393 ( 0.000 -3.122 3.390) 4.609 6.442 ( 0.000 2.614 -2.355) 3.518 6.442 ( 0.000 2.614 2.355) 3.518 6.526 ( 0.000 -0.402 -2.065) 2.104 6.526 ( 0.000 -0.402 2.065) 2.104 9.001 ( 0.000 0.623 -0.466) 0.778 9.001 ( 0.000 0.623 0.466) 0.778 9.009 ( 0.000 -0.496 -1.830) 1.896 9.009 ( 0.000 -0.496 1.830) 1.896 9.068 ( 0.000 -0.684 -1.270) 1.442 9.068 ( 0.000 -0.684 1.270) 1.442 9.076 ( 0.000 -0.831 -0.382) 0.915 9.076 ( 0.000 -0.831 0.382) 0.915 9.402 ( 0.000 0.171 -3.016) 3.021 9.402 ( 0.000 0.171 3.016) 3.021 9.403 ( 0.000 0.286 -2.814) 2.829 9.403 ( 0.000 0.286 2.814) 2.829 9.630 ( 0.000 3.902 -7.761) 8.686 9.630 ( 0.000 3.902 7.761) 8.686 9.676 ( 0.000 -0.075 -3.991) 3.991 9.676 ( 0.000 -0.075 3.991) 3.991 10.464 ( 0.000 0.605 -0.203) 0.638 10.464 ( 0.000 0.605 0.203) 0.638 10.483 ( 0.000 0.567 -1.028) 1.174 10.483 ( 0.000 0.567 1.028) 1.174 10.544 ( 0.000 1.541 -2.747) 3.150 10.544 ( 0.000 1.541 2.747) 3.150 10.574 ( 0.000 0.028 -0.125) 0.128 10.574 ( 0.000 0.028 0.125) 0.128 ======================= Grid point 65 (22/30) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 4.363 1.967 -7.182) 8.631 0.309 ( 4.363 1.967 7.182) 8.631 0.383 ( 5.545 5.173 -4.548) 8.842 0.383 ( 5.545 5.173 4.548) 8.842 0.555 ( -0.753 -5.447 -0.340) 5.509 0.555 ( -0.753 -5.447 0.340) 5.509 0.607 ( 2.244 -0.463 -1.313) 2.641 0.607 ( 2.244 -0.463 1.313) 2.641 0.652 ( 0.585 -1.446 -1.659) 2.276 0.652 ( 0.585 -1.446 1.659) 2.276 0.702 ( 4.616 4.279 -6.414) 8.986 0.702 ( 4.616 4.279 6.414) 8.986 0.715 ( -0.234 -1.522 -1.403) 2.083 0.715 ( -0.234 -1.522 1.403) 2.083 0.740 ( 1.267 -1.139 -1.504) 2.273 0.740 ( 1.267 -1.139 1.504) 2.273 0.814 ( 1.264 0.273 -1.574) 2.037 0.814 ( 1.264 0.273 1.574) 2.037 0.850 ( 2.626 0.018 -3.844) 4.655 0.850 ( 2.626 0.018 3.844) 4.655 0.928 ( 3.824 0.165 -1.691) 4.185 0.928 ( 3.824 0.165 1.691) 4.185 0.963 ( 2.367 0.886 -2.727) 3.718 0.963 ( 2.367 0.886 2.727) 3.718 1.002 ( 0.756 2.375 -1.010) 2.690 1.002 ( 0.756 2.375 1.010) 2.690 1.024 ( 0.895 -0.859 -1.523) 1.964 1.024 ( 0.895 -0.859 1.523) 1.964 1.056 ( 2.584 0.581 -1.131) 2.880 1.056 ( 2.584 0.581 1.131) 2.880 1.080 ( 1.721 1.625 -1.797) 2.972 1.080 ( 1.721 1.625 1.797) 2.972 1.121 ( 1.940 0.125 -1.300) 2.339 1.121 ( 1.940 0.125 1.300) 2.339 1.155 ( 1.316 -0.163 -3.457) 3.703 1.155 ( 1.316 -0.163 3.457) 3.703 1.175 ( -0.031 -0.621 -0.908) 1.100 1.175 ( -0.031 -0.621 0.908) 1.100 1.203 ( -0.049 0.757 -1.240) 1.453 1.203 ( -0.049 0.757 1.240) 1.453 1.214 ( 0.416 -0.744 -2.090) 2.257 1.214 ( 0.416 -0.744 2.090) 2.257 1.271 ( -0.140 -1.195 -0.849) 1.473 1.271 ( -0.140 -1.195 0.849) 1.473 1.312 ( 1.232 0.120 -0.232) 1.259 1.312 ( 1.232 0.120 0.232) 1.259 1.346 ( -0.742 -0.745 -0.592) 1.206 1.346 ( -0.742 -0.745 0.592) 1.206 1.364 ( 0.663 0.420 -1.408) 1.612 1.364 ( 0.663 0.420 1.408) 1.612 1.374 ( 0.945 1.512 -1.807) 2.538 1.374 ( 0.945 1.512 1.807) 2.538 1.427 ( 0.295 -0.866 -0.787) 1.207 1.427 ( 0.295 -0.866 0.787) 1.207 1.469 ( 0.816 -0.952 -1.209) 1.741 1.469 ( 0.816 -0.952 1.209) 1.741 1.516 ( 1.712 0.519 -1.439) 2.296 1.516 ( 1.712 0.519 1.439) 2.296 1.550 ( 0.879 -0.391 -1.267) 1.591 1.550 ( 0.879 -0.391 1.267) 1.591 1.591 ( 0.126 -1.693 -1.949) 2.585 1.591 ( 0.126 -1.693 1.949) 2.585 1.621 ( 0.183 -2.240 -2.132) 3.098 1.621 ( 0.183 -2.240 2.132) 3.098 1.782 ( -3.253 0.954 -0.528) 3.431 1.782 ( -3.253 0.954 0.528) 3.431 1.799 ( -1.292 0.229 -1.253) 1.814 1.799 ( -1.292 0.229 1.253) 1.814 1.872 ( -1.456 -1.294 -0.586) 2.034 1.872 ( -1.456 -1.294 0.586) 2.034 1.881 ( -2.980 -1.289 -1.788) 3.707 1.881 ( -2.980 -1.289 1.788) 3.707 2.249 ( 2.663 0.573 -1.598) 3.158 2.249 ( 2.663 0.573 1.598) 3.158 2.255 ( 1.911 -0.001 -0.576) 1.996 2.255 ( 1.911 -0.001 0.576) 1.996 2.316 ( 4.226 0.045 -2.719) 5.025 2.316 ( 4.226 0.045 2.719) 5.025 2.388 ( 3.232 -0.988 -1.593) 3.736 2.388 ( 3.232 -0.988 1.593) 3.736 2.475 ( 1.552 3.750 -3.415) 5.304 2.475 ( 1.552 3.750 3.415) 5.304 2.533 ( 4.979 0.130 -1.573) 5.223 2.533 ( 4.979 0.130 1.573) 5.223 2.559 ( 3.843 1.242 -1.130) 4.193 2.559 ( 3.843 1.242 1.130) 4.193 2.667 ( 2.678 -1.233 -4.196) 5.128 2.667 ( 2.678 -1.233 4.196) 5.128 2.767 ( 1.153 1.399 -0.404) 1.858 2.767 ( 1.153 1.399 0.404) 1.858 2.849 ( 2.078 -0.536 -2.708) 3.455 2.849 ( 2.078 -0.536 2.708) 3.455 2.894 ( 3.908 1.645 -1.120) 4.386 2.894 ( 3.908 1.645 1.120) 4.386 2.988 ( -1.210 -2.457 -2.084) 3.442 2.988 ( -1.210 -2.457 2.084) 3.442 3.571 ( -0.151 0.106 -4.235) 4.239 3.571 ( -0.151 0.106 4.235) 4.239 3.645 ( -2.717 -2.870 -0.587) 3.996 3.645 ( -2.717 -2.870 0.587) 3.996 3.784 ( -2.667 0.146 -2.220) 3.473 3.784 ( -2.667 0.146 2.220) 3.473 3.804 ( -2.734 -1.562 -2.901) 4.282 3.804 ( -2.734 -1.562 2.901) 4.282 4.111 ( -0.965 2.284 -1.584) 2.943 4.111 ( -0.965 2.284 1.584) 2.943 4.154 ( -1.731 0.843 -1.707) 2.573 4.154 ( -1.731 0.843 1.707) 2.573 4.254 ( -1.150 0.394 -1.045) 1.603 4.254 ( -1.150 0.394 1.045) 1.603 4.277 ( -2.197 -0.173 -1.892) 2.905 4.277 ( -2.197 -0.173 1.892) 2.905 4.519 ( 0.159 0.179 -1.610) 1.628 4.519 ( 0.159 0.179 1.610) 1.628 4.543 ( 0.869 -1.235 -0.866) 1.741 4.543 ( 0.869 -1.235 0.866) 1.741 4.682 ( 0.137 2.044 -1.918) 2.806 4.682 ( 0.137 2.044 1.918) 2.806 4.798 ( -0.220 -2.885 -3.742) 4.730 4.798 ( -0.220 -2.885 3.742) 4.730 5.348 ( 1.338 -0.575 -3.137) 3.458 5.348 ( 1.338 -0.575 3.137) 3.458 5.392 ( -1.094 -1.848 -4.866) 5.319 5.392 ( -1.094 -1.848 4.866) 5.319 5.524 ( 1.684 1.224 -2.177) 3.012 5.524 ( 1.684 1.224 2.177) 3.012 5.585 ( 1.033 -0.564 -1.673) 2.045 5.585 ( 1.033 -0.564 1.673) 2.045 5.717 ( 1.207 3.984 -0.610) 4.207 5.717 ( 1.207 3.984 0.610) 4.207 5.776 ( 1.972 3.133 -1.764) 4.101 5.776 ( 1.972 3.133 1.764) 4.101 5.833 ( 1.965 -1.369 -1.486) 2.818 5.833 ( 1.965 -1.369 1.486) 2.818 5.939 ( 2.976 -2.397 -4.941) 6.246 5.939 ( 2.976 -2.397 4.941) 6.246 6.309 ( -2.043 0.490 -1.188) 2.414 6.309 ( -2.043 0.490 1.188) 2.414 6.350 ( -1.811 0.295 -2.525) 3.121 6.350 ( -1.811 0.295 2.525) 3.121 6.493 ( 1.114 -0.111 -0.993) 1.496 6.493 ( 1.114 -0.111 0.993) 1.496 6.571 ( 3.557 -2.991 -2.402) 5.232 6.571 ( 3.557 -2.991 2.402) 5.232 9.014 ( 3.110 0.909 -0.417) 3.267 9.014 ( 3.110 0.909 0.417) 3.267 9.071 ( 2.260 -1.248 -1.094) 2.804 9.071 ( 2.260 -1.248 1.094) 2.804 9.123 ( 4.688 -0.623 -2.145) 5.193 9.123 ( 4.688 -0.623 2.145) 5.193 9.145 ( 6.234 -2.379 -1.783) 6.907 9.145 ( 6.234 -2.379 1.783) 6.907 9.399 ( 0.016 0.922 -1.931) 2.139 9.399 ( 0.016 0.922 1.931) 2.139 9.411 ( 0.398 0.401 -1.094) 1.231 9.411 ( 0.398 0.401 1.094) 1.231 9.589 ( -3.258 2.501 -3.946) 5.696 9.589 ( -3.258 2.501 3.946) 5.696 9.664 ( -1.328 -0.847 -4.566) 4.830 9.664 ( -1.328 -0.847 4.566) 4.830 10.464 ( 0.102 1.082 -0.477) 1.187 10.464 ( 0.102 1.082 0.477) 1.187 10.488 ( 0.606 0.110 -1.055) 1.221 10.488 ( 0.606 0.110 1.055) 1.221 10.542 ( 0.223 1.576 -1.726) 2.348 10.542 ( 0.223 1.576 1.726) 2.348 10.586 ( 1.078 -0.271 -0.467) 1.205 10.586 ( 1.078 -0.271 0.467) 1.205 ======================= Grid point 67 (23/30) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 5.929 1.191 -4.037) 7.271 0.419 ( 5.929 1.191 4.037) 7.271 0.486 ( 4.645 2.109 -3.750) 6.331 0.486 ( 4.645 2.109 3.750) 6.331 0.564 ( 1.875 -2.585 -0.367) 3.214 0.564 ( 1.875 -2.585 0.367) 3.214 0.646 ( 2.160 0.926 -1.406) 2.739 0.646 ( 2.160 0.926 1.406) 2.739 0.665 ( 1.169 -0.805 -1.371) 1.973 0.665 ( 1.169 -0.805 1.371) 1.973 0.698 ( 0.215 -1.522 -3.023) 3.391 0.698 ( 0.215 -1.522 3.023) 3.391 0.786 ( 3.600 -0.843 -0.687) 3.760 0.786 ( 3.600 -0.843 0.687) 3.760 0.836 ( 2.902 1.038 -2.057) 3.705 0.836 ( 2.902 1.038 2.057) 3.705 0.848 ( 4.323 -1.847 -1.605) 4.967 0.848 ( 4.323 -1.847 1.605) 4.967 0.924 ( 3.358 -0.296 -3.746) 5.039 0.924 ( 3.358 -0.296 3.746) 5.039 0.985 ( 1.795 1.085 -1.578) 2.626 0.985 ( 1.795 1.085 1.578) 2.626 0.995 ( 0.632 0.603 -1.674) 1.888 0.995 ( 0.632 0.603 1.674) 1.888 1.023 ( 0.960 1.777 -1.113) 2.306 1.023 ( 0.960 1.777 1.113) 2.306 1.050 ( 1.683 -0.692 -0.725) 1.959 1.050 ( 1.683 -0.692 0.725) 1.959 1.101 ( 0.886 0.985 -0.857) 1.578 1.101 ( 0.886 0.985 0.857) 1.578 1.122 ( 0.681 0.163 -0.417) 0.815 1.122 ( 0.681 0.163 0.417) 0.815 1.139 ( -0.146 1.486 -1.512) 2.125 1.139 ( -0.146 1.486 1.512) 2.125 1.178 ( 1.478 0.410 -0.844) 1.751 1.178 ( 1.478 0.410 0.844) 1.751 1.195 ( 3.380 1.293 -0.737) 3.693 1.195 ( 3.380 1.293 0.737) 3.693 1.218 ( -0.224 -0.128 -1.673) 1.693 1.218 ( -0.224 -0.128 1.673) 1.693 1.232 ( 2.521 -0.313 -2.072) 3.279 1.232 ( 2.521 -0.313 2.072) 3.279 1.272 ( 1.030 -1.226 -0.402) 1.651 1.272 ( 1.030 -1.226 0.402) 1.651 1.326 ( 1.140 0.316 -1.891) 2.230 1.326 ( 1.140 0.316 1.891) 2.230 1.355 ( 1.259 0.445 -2.006) 2.410 1.355 ( 1.259 0.445 2.006) 2.410 1.379 ( 0.928 0.748 -0.183) 1.206 1.379 ( 0.928 0.748 0.183) 1.206 1.410 ( 2.204 2.289 -0.998) 3.331 1.410 ( 2.204 2.289 0.998) 3.331 1.440 ( 1.423 -1.506 -1.902) 2.812 1.440 ( 1.423 -1.506 1.902) 2.812 1.474 ( -0.238 -0.689 -1.358) 1.541 1.474 ( -0.238 -0.689 1.358) 1.541 1.557 ( 0.367 -0.526 -0.874) 1.084 1.557 ( 0.367 -0.526 0.874) 1.084 1.571 ( 2.142 -1.820 -1.437) 3.157 1.571 ( 2.142 -1.820 1.437) 3.157 1.591 ( 0.643 -0.240 -1.267) 1.441 1.591 ( 0.643 -0.240 1.267) 1.441 1.642 ( 1.193 -1.519 -2.254) 2.968 1.642 ( 1.193 -1.519 2.254) 2.968 1.703 ( -3.767 2.021 -1.232) 4.449 1.703 ( -3.767 2.021 1.232) 4.449 1.761 ( -2.763 -0.041 -1.241) 3.029 1.761 ( -2.763 -0.041 1.241) 3.029 1.795 ( -2.980 -0.403 -0.872) 3.131 1.795 ( -2.980 -0.403 0.872) 3.131 1.869 ( -0.354 -3.407 -0.837) 3.526 1.869 ( -0.354 -3.407 0.837) 3.526 2.288 ( 2.871 0.807 -1.379) 3.285 2.288 ( 2.871 0.807 1.379) 3.285 2.322 ( 3.149 -0.366 -0.553) 3.218 2.322 ( 3.149 -0.366 0.553) 3.218 2.414 ( 4.213 -0.092 -1.120) 4.360 2.414 ( 4.213 -0.092 1.120) 4.360 2.439 ( 2.727 -0.141 -1.090) 2.940 2.439 ( 2.727 -0.141 1.090) 2.940 2.540 ( 4.000 4.237 -2.187) 6.224 2.540 ( 4.000 4.237 2.187) 6.224 2.607 ( 1.950 1.043 -2.649) 3.450 2.607 ( 1.950 1.043 2.649) 3.450 2.657 ( 3.613 -0.482 -1.582) 3.973 2.657 ( 3.613 -0.482 1.582) 3.973 2.740 ( 5.238 -2.654 -2.778) 6.496 2.740 ( 5.238 -2.654 2.778) 6.496 2.832 ( 6.004 -0.066 -0.258) 6.010 2.832 ( 6.004 -0.066 0.258) 6.010 2.877 ( -0.296 -1.894 -1.107) 2.213 2.877 ( -0.296 -1.894 1.107) 2.213 2.963 ( 4.183 1.354 -0.212) 4.402 2.963 ( 4.183 1.354 0.212) 4.402 3.029 ( 5.827 -0.971 -0.455) 5.925 3.029 ( 5.827 -0.971 0.455) 5.925 3.568 ( -0.147 0.160 -2.222) 2.233 3.568 ( -0.147 0.160 2.222) 2.233 3.599 ( -1.607 -1.039 -0.867) 2.101 3.599 ( -1.607 -1.039 0.867) 2.101 3.717 ( -3.803 0.563 -2.450) 4.559 3.717 ( -3.803 0.563 2.450) 4.559 3.737 ( -3.782 -0.433 -2.780) 4.713 3.737 ( -3.782 -0.433 2.780) 4.713 4.103 ( 0.175 1.059 -1.344) 1.719 4.103 ( 0.175 1.059 1.344) 1.719 4.127 ( -0.833 0.155 -1.035) 1.338 4.127 ( -0.833 0.155 1.035) 1.338 4.221 ( -1.805 0.304 -0.672) 1.950 4.221 ( -1.805 0.304 0.672) 1.950 4.239 ( -1.674 -0.248 -0.924) 1.928 4.239 ( -1.674 -0.248 0.924) 1.928 4.523 ( -0.037 0.535 -0.327) 0.628 4.523 ( -0.037 0.535 0.327) 0.628 4.556 ( 0.116 -1.115 -0.033) 1.121 4.556 ( 0.116 -1.115 0.033) 1.121 4.694 ( 0.879 1.514 -1.468) 2.285 4.694 ( 0.879 1.514 1.468) 2.285 4.777 ( -1.415 -2.019 -2.024) 3.190 4.777 ( -1.415 -2.019 2.024) 3.190 5.371 ( 0.529 -0.361 -3.204) 3.268 5.371 ( 0.529 -0.361 3.204) 3.268 5.394 ( 1.438 -1.150 -3.330) 3.805 5.394 ( 1.438 -1.150 3.330) 3.805 5.539 ( 0.276 1.544 -2.102) 2.622 5.539 ( 0.276 1.544 2.102) 2.622 5.604 ( 0.195 -1.069 -3.236) 3.413 5.604 ( 0.195 -1.069 3.236) 3.413 5.775 ( 3.744 3.475 -0.090) 5.109 5.775 ( 3.744 3.475 0.090) 5.109 5.841 ( 4.233 1.529 -1.821) 4.855 5.841 ( 4.233 1.529 1.821) 4.855 5.887 ( 3.296 -0.747 -1.307) 3.623 5.887 ( 3.296 -0.747 1.307) 3.623 5.955 ( -0.402 -1.341 -3.003) 3.313 5.955 ( -0.402 -1.341 3.003) 3.313 6.269 ( -1.848 1.452 -0.277) 2.367 6.269 ( -1.848 1.452 0.277) 2.367 6.324 ( -0.923 0.205 -3.798) 3.913 6.324 ( -0.923 0.205 3.798) 3.913 6.485 ( -1.629 0.534 -0.646) 1.832 6.485 ( -1.629 0.534 0.646) 1.832 6.601 ( -0.845 -4.326 -2.561) 5.097 6.601 ( -0.845 -4.326 2.561) 5.097 9.093 ( 4.075 0.555 -0.152) 4.115 9.093 ( 4.075 0.555 0.152) 4.115 9.125 ( 2.723 -0.695 -0.816) 2.926 9.125 ( 2.723 -0.695 0.816) 2.926 9.192 ( 2.512 0.426 -1.686) 3.055 9.192 ( 2.512 0.426 1.686) 3.055 9.245 ( 2.871 -2.675 -0.886) 4.023 9.245 ( 2.871 -2.675 0.886) 4.023 9.401 ( -0.111 2.821 -2.342) 3.668 9.401 ( -0.111 2.821 2.342) 3.668 9.417 ( 0.374 0.738 -0.770) 1.130 9.417 ( 0.374 0.738 0.770) 1.130 9.533 ( -1.793 0.035 -0.548) 1.876 9.533 ( -1.793 0.035 0.548) 1.876 9.633 ( -1.520 -2.800 -3.295) 4.583 9.633 ( -1.520 -2.800 3.295) 4.583 10.479 ( 1.568 1.053 -0.553) 1.968 10.479 ( 1.568 1.053 0.553) 1.968 10.506 ( 1.264 -0.194 -0.474) 1.364 10.506 ( 1.264 -0.194 0.474) 1.364 10.563 ( 1.859 1.409 -0.906) 2.502 10.563 ( 1.859 1.409 0.906) 2.502 10.614 ( 1.685 -0.592 -0.710) 1.922 10.614 ( 1.685 -0.592 0.710) 1.922 ======================= Grid point 69 (24/30) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 2.731 1.200 -1.914) 3.544 0.500 ( 2.731 1.200 1.914) 3.544 0.578 ( 3.163 -1.399 -1.058) 3.616 0.578 ( 3.163 -1.399 1.058) 3.616 0.616 ( 2.874 1.531 -0.753) 3.343 0.616 ( 2.874 1.531 0.753) 3.343 0.671 ( 0.981 1.244 -1.126) 1.943 0.671 ( 0.981 1.244 1.126) 1.943 0.717 ( 3.441 -0.627 -1.830) 3.948 0.717 ( 3.441 -0.627 1.830) 3.948 0.738 ( 4.030 -1.439 -0.584) 4.319 0.738 ( 4.030 -1.439 0.584) 4.319 0.848 ( 1.855 -0.052 -0.425) 1.904 0.848 ( 1.855 -0.052 0.425) 1.904 0.868 ( 1.712 0.194 -1.425) 2.236 0.868 ( 1.712 0.194 1.425) 2.236 0.924 ( 2.053 -0.435 -1.623) 2.653 0.924 ( 2.053 -0.435 1.623) 2.653 0.963 ( 0.894 -1.176 -1.686) 2.242 0.963 ( 0.894 -1.176 1.686) 2.242 0.998 ( 0.118 1.321 -1.646) 2.114 0.998 ( 0.118 1.321 1.646) 2.114 1.011 ( 0.951 0.229 -0.485) 1.092 1.011 ( 0.951 0.229 0.485) 1.092 1.042 ( 0.746 1.338 -0.583) 1.639 1.042 ( 0.746 1.338 0.583) 1.639 1.065 ( -1.357 0.296 -0.232) 1.408 1.065 ( -1.357 0.296 0.232) 1.408 1.086 ( 0.552 -1.197 -1.151) 1.750 1.086 ( 0.552 -1.197 1.151) 1.750 1.115 ( 0.505 -0.042 -0.160) 0.532 1.115 ( 0.505 -0.042 0.160) 0.532 1.170 ( 0.973 0.746 -1.641) 2.048 1.170 ( 0.973 0.746 1.641) 2.048 1.182 ( -0.414 -0.844 -2.020) 2.228 1.182 ( -0.414 -0.844 2.020) 2.228 1.205 ( 0.658 1.292 -1.193) 1.878 1.205 ( 0.658 1.292 1.193) 1.878 1.259 ( 1.582 0.563 -0.853) 1.883 1.259 ( 1.582 0.563 0.853) 1.883 1.269 ( 1.211 0.511 -0.978) 1.639 1.269 ( 1.211 0.511 0.978) 1.639 1.313 ( 1.153 -0.693 -2.675) 2.994 1.313 ( 1.153 -0.693 2.675) 2.994 1.360 ( 0.165 1.546 -1.662) 2.276 1.360 ( 0.165 1.546 1.662) 2.276 1.386 ( 1.896 -0.326 -1.244) 2.291 1.386 ( 1.896 -0.326 1.244) 2.291 1.410 ( 1.681 0.128 -1.513) 2.265 1.410 ( 1.681 0.128 1.513) 2.265 1.441 ( 2.008 1.343 -0.939) 2.592 1.441 ( 2.008 1.343 0.939) 2.592 1.454 ( -0.759 -0.162 -0.642) 1.008 1.454 ( -0.759 -0.162 0.642) 1.008 1.499 ( 2.847 1.952 -1.025) 3.601 1.499 ( 2.847 1.952 1.025) 3.601 1.539 ( -1.732 -0.984 -0.395) 2.031 1.539 ( -1.732 -0.984 0.395) 2.031 1.584 ( -1.432 0.127 -0.298) 1.468 1.584 ( -1.432 0.127 0.298) 1.468 1.620 ( 1.092 -0.391 -0.926) 1.484 1.620 ( 1.092 -0.391 0.926) 1.484 1.632 ( 0.685 -1.756 -0.595) 1.977 1.632 ( 0.685 -1.756 0.595) 1.977 1.692 ( 1.652 -0.515 -2.643) 3.159 1.692 ( 1.652 -0.515 2.643) 3.159 1.727 ( 0.112 0.004 -0.174) 0.207 1.727 ( 0.112 0.004 0.174) 0.207 1.770 ( -0.002 -0.403 -0.793) 0.889 1.770 ( -0.002 -0.403 0.793) 0.889 1.858 ( -0.791 -4.337 -0.263) 4.416 1.858 ( -0.791 -4.337 0.263) 4.416 2.356 ( 3.528 0.359 -1.163) 3.732 2.356 ( 3.528 0.359 1.163) 3.732 2.379 ( 2.718 -0.443 -0.721) 2.846 2.379 ( 2.718 -0.443 0.721) 2.846 2.475 ( 2.298 -0.324 -2.590) 3.477 2.475 ( 2.298 -0.324 2.590) 3.477 2.485 ( 1.373 -0.498 -2.088) 2.548 2.485 ( 1.373 -0.498 2.088) 2.548 2.595 ( 1.154 3.867 -1.385) 4.266 2.595 ( 1.154 3.867 1.385) 4.266 2.623 ( 0.184 1.225 -1.805) 2.189 2.623 ( 0.184 1.225 1.805) 2.189 2.684 ( 0.328 -0.663 -1.995) 2.128 2.684 ( 0.328 -0.663 1.995) 2.128 2.768 ( -2.959 -2.886 -0.684) 4.190 2.768 ( -2.959 -2.886 0.684) 4.190 2.944 ( 7.282 0.195 -0.379) 7.294 2.944 ( 7.282 0.195 0.379) 7.294 2.978 ( 7.354 -1.107 -0.317) 7.444 2.978 ( 7.354 -1.107 0.317) 7.444 3.087 ( 7.056 1.538 -0.155) 7.223 3.087 ( 7.056 1.538 0.155) 7.223 3.149 ( 5.512 -0.862 -0.187) 5.582 3.149 ( 5.512 -0.862 0.187) 5.582 3.563 ( -0.518 0.444 -0.601) 0.910 3.563 ( -0.518 0.444 0.601) 0.910 3.582 ( -0.437 -0.455 -0.327) 0.711 3.582 ( -0.437 -0.455 0.327) 0.711 3.650 ( -2.503 0.800 -2.232) 3.447 3.650 ( -2.503 0.800 2.232) 3.447 3.667 ( -2.799 -0.069 -2.260) 3.598 3.667 ( -2.799 -0.069 2.260) 3.598 4.113 ( 0.584 0.328 -0.799) 1.043 4.113 ( 0.584 0.328 0.799) 1.043 4.127 ( 0.923 -0.307 -0.973) 1.376 4.127 ( 0.923 -0.307 0.973) 1.376 4.190 ( -1.307 0.304 -0.449) 1.415 4.190 ( -1.307 0.304 0.449) 1.415 4.210 ( -1.262 -0.332 -0.619) 1.445 4.210 ( -1.262 -0.332 0.619) 1.445 4.509 ( -1.384 0.993 -0.479) 1.769 4.509 ( -1.384 0.993 0.479) 1.769 4.538 ( -1.888 0.018 -0.292) 1.911 4.538 ( -1.888 0.018 0.292) 1.911 4.714 ( 1.219 0.126 -0.852) 1.493 4.714 ( 1.219 0.126 0.852) 1.493 4.758 ( -0.449 -1.514 -0.622) 1.698 4.758 ( -0.449 -1.514 0.622) 1.698 5.379 ( 0.577 0.639 -2.480) 2.625 5.379 ( 0.577 0.639 2.480) 2.625 5.426 ( 1.287 -1.346 -2.441) 3.070 5.426 ( 1.287 -1.346 2.441) 3.070 5.540 ( -0.147 1.350 -1.448) 1.985 5.540 ( -0.147 1.350 1.448) 1.985 5.586 ( -1.653 -0.608 -2.935) 3.423 5.586 ( -1.653 -0.608 2.935) 3.423 5.845 ( 3.112 2.301 -0.666) 3.927 5.845 ( 3.112 2.301 0.666) 3.927 5.921 ( 2.441 1.243 -0.486) 2.782 5.921 ( 2.441 1.243 0.486) 2.782 5.942 ( 2.008 -1.122 -0.884) 2.464 5.942 ( 2.008 -1.122 0.884) 2.464 5.966 ( 2.639 -0.107 -0.405) 2.672 5.966 ( 2.639 -0.107 0.405) 2.672 6.243 ( -0.607 2.086 -1.061) 2.418 6.243 ( -0.607 2.086 1.061) 2.418 6.311 ( -0.439 0.169 -3.960) 3.988 6.311 ( -0.439 0.169 3.960) 3.988 6.440 ( -2.568 0.043 -0.169) 2.574 6.440 ( -2.568 0.043 0.169) 2.574 6.550 ( -3.852 -4.033 -2.865) 6.270 6.550 ( -3.852 -4.033 2.865) 6.270 9.147 ( 1.323 0.454 -0.556) 1.505 9.147 ( 1.323 0.454 0.556) 1.505 9.176 ( 2.345 -0.729 -1.023) 2.660 9.176 ( 2.345 -0.729 1.023) 2.660 9.221 ( 0.210 0.956 -1.218) 1.562 9.221 ( 0.210 0.956 1.218) 1.562 9.269 ( 0.315 -1.265 -2.061) 2.439 9.269 ( 0.315 -1.265 2.061) 2.439 9.395 ( -0.298 2.829 -0.837) 2.966 9.395 ( -0.298 2.829 0.837) 2.966 9.418 ( -0.146 0.838 -1.738) 1.935 9.418 ( -0.146 0.838 1.738) 1.935 9.531 ( 1.111 -1.135 -1.182) 1.980 9.531 ( 1.111 -1.135 1.182) 1.980 9.605 ( -1.356 -3.226 -1.564) 3.833 9.605 ( -1.356 -3.226 1.564) 3.833 10.522 ( 2.448 0.668 -0.469) 2.580 10.522 ( 2.448 0.668 0.469) 2.580 10.539 ( 1.880 -0.033 -0.174) 1.888 10.539 ( 1.880 -0.033 0.174) 1.888 10.606 ( 2.240 0.930 -0.317) 2.446 10.606 ( 2.240 0.930 0.317) 2.446 10.646 ( 1.325 -0.558 -0.718) 1.607 10.646 ( 1.325 -0.558 0.718) 1.607 ======================= Grid point 71 (25/30) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 2.530 0.859 -0.687) 2.759 0.552 ( 2.530 0.859 0.687) 2.759 0.591 ( -1.122 0.318 -0.471) 1.258 0.591 ( -1.122 0.318 0.471) 1.258 0.654 ( 1.384 2.253 -0.810) 2.765 0.654 ( 1.384 2.253 0.810) 2.765 0.678 ( -0.734 2.863 -0.970) 3.111 0.678 ( -0.734 2.863 0.970) 3.111 0.795 ( 3.875 -0.785 -1.394) 4.193 0.795 ( 3.875 -0.785 1.394) 4.193 0.837 ( 4.604 -2.876 -0.188) 5.432 0.837 ( 4.604 -2.876 0.188) 5.432 0.854 ( -1.664 0.042 -0.508) 1.740 0.854 ( -1.664 0.042 0.508) 1.740 0.883 ( 0.161 -0.236 -0.784) 0.834 0.883 ( 0.161 -0.236 0.784) 0.834 0.950 ( 0.617 0.094 -0.746) 0.973 0.950 ( 0.617 0.094 0.746) 0.973 0.968 ( 0.462 0.507 -0.332) 0.762 0.968 ( 0.462 0.507 0.332) 0.762 0.995 ( -0.502 0.538 -0.232) 0.771 0.995 ( -0.502 0.538 0.232) 0.771 1.011 ( -2.034 0.283 -0.494) 2.112 1.011 ( -2.034 0.283 0.494) 2.112 1.041 ( 1.253 -0.018 -1.146) 1.698 1.041 ( 1.253 -0.018 1.146) 1.698 1.066 ( -0.967 -0.956 -1.059) 1.724 1.066 ( -0.967 -0.956 1.059) 1.724 1.098 ( 2.266 -0.021 -1.915) 2.967 1.098 ( 2.266 -0.021 1.915) 2.967 1.132 ( -0.495 -1.133 -1.666) 2.075 1.132 ( -0.495 -1.133 1.666) 2.075 1.173 ( 1.132 1.383 -1.243) 2.177 1.173 ( 1.132 1.383 1.243) 2.177 1.191 ( -0.245 0.106 -1.072) 1.105 1.191 ( -0.245 0.106 1.072) 1.105 1.222 ( 1.361 -0.493 -0.373) 1.495 1.222 ( 1.361 -0.493 0.373) 1.495 1.258 ( -1.828 -0.847 -1.196) 2.343 1.258 ( -1.828 -0.847 1.196) 2.343 1.296 ( 1.982 1.016 -1.641) 2.767 1.296 ( 1.982 1.016 1.641) 2.767 1.327 ( -0.527 1.807 -2.109) 2.826 1.327 ( -0.527 1.807 2.109) 2.826 1.359 ( 0.919 0.073 -1.216) 1.526 1.359 ( 0.919 0.073 1.216) 1.526 1.392 ( -1.836 0.169 -0.742) 1.988 1.392 ( -1.836 0.169 0.742) 1.988 1.414 ( 1.251 0.323 -1.406) 1.910 1.414 ( 1.251 0.323 1.406) 1.910 1.439 ( -0.841 -0.086 -0.939) 1.263 1.439 ( -0.841 -0.086 0.939) 1.263 1.481 ( 0.725 -0.025 -0.704) 1.011 1.481 ( 0.725 -0.025 0.704) 1.011 1.497 ( -1.230 -0.765 -0.196) 1.461 1.497 ( -1.230 -0.765 0.196) 1.461 1.543 ( 0.788 2.827 -1.708) 3.396 1.543 ( 0.788 2.827 1.709) 3.396 1.555 ( -0.888 2.607 -1.484) 3.128 1.555 ( -0.888 2.607 1.484) 3.128 1.647 ( 1.714 -1.605 -0.483) 2.397 1.647 ( 1.714 -1.605 0.483) 2.397 1.660 ( 0.679 -2.303 -1.054) 2.622 1.660 ( 0.679 -2.303 1.054) 2.622 1.729 ( 1.273 -0.454 -0.855) 1.599 1.729 ( 1.273 -0.454 0.855) 1.599 1.736 ( 0.267 -0.371 -1.054) 1.148 1.736 ( 0.267 -0.371 1.054) 1.148 1.792 ( 2.142 -1.972 -1.442) 3.249 1.792 ( 2.142 -1.972 1.442) 3.249 1.835 ( -1.728 -3.709 -0.775) 4.164 1.835 ( -1.728 -3.709 0.775) 4.164 2.412 ( 1.999 -0.217 -0.845) 2.181 2.412 ( 1.999 -0.217 0.845) 2.181 2.424 ( 1.212 -0.656 -0.736) 1.562 2.424 ( 1.212 -0.656 0.736) 1.562 2.495 ( 0.215 -0.667 -0.357) 0.787 2.495 ( 0.215 -0.667 0.357) 0.787 2.501 ( 0.163 -1.106 -1.769) 2.093 2.501 ( 0.163 -1.106 1.769) 2.093 2.605 ( 0.532 2.746 -0.976) 2.962 2.605 ( 0.532 2.746 0.976) 2.962 2.620 ( -0.659 1.846 -0.967) 2.186 2.620 ( -0.659 1.846 0.967) 2.186 2.689 ( 0.412 -0.324 -0.590) 0.789 2.689 ( 0.412 -0.324 0.590) 0.789 2.711 ( -2.061 -0.686 -0.536) 2.237 2.711 ( -2.061 -0.686 0.536) 2.237 3.063 ( 3.886 -0.241 -1.033) 4.028 3.063 ( 3.886 -0.241 1.033) 4.028 3.081 ( 2.323 -0.827 -0.327) 2.487 3.081 ( 2.323 -0.827 0.327) 2.487 3.200 ( 3.734 0.745 -0.175) 3.812 3.200 ( 3.734 0.745 0.175) 3.812 3.222 ( 1.470 -0.121 -0.296) 1.504 3.222 ( 1.470 -0.121 0.296) 1.504 3.552 ( -0.159 0.667 -1.337) 1.503 3.552 ( -0.159 0.667 1.337) 1.503 3.564 ( -1.229 0.284 -1.091) 1.667 3.564 ( -1.229 0.284 1.091) 1.667 3.629 ( 0.244 0.233 -0.440) 0.554 3.629 ( 0.244 0.233 0.440) 0.554 3.639 ( -0.549 -0.098 -1.262) 1.379 3.639 ( -0.549 -0.098 1.262) 1.379 4.129 ( 1.094 0.129 -0.807) 1.366 4.129 ( 1.094 0.129 0.807) 1.366 4.145 ( 0.093 -0.548 -0.219) 0.598 4.145 ( 0.093 -0.548 0.219) 0.598 4.173 ( 0.042 0.178 -0.574) 0.602 4.173 ( 0.042 0.178 0.574) 0.602 4.188 ( -0.960 -0.406 -0.684) 1.247 4.188 ( -0.960 -0.406 0.684) 1.247 4.483 ( -0.637 1.395 -0.384) 1.581 4.483 ( -0.637 1.395 0.384) 1.581 4.496 ( -1.806 1.025 -0.246) 2.091 4.496 ( -1.806 1.025 0.246) 2.091 4.738 ( 1.023 -0.801 -0.396) 1.358 4.738 ( 1.023 -0.801 0.396) 1.358 4.752 ( -0.402 -1.294 -0.059) 1.357 4.752 ( -0.402 -1.294 0.059) 1.357 5.398 ( 1.407 1.026 -0.914) 1.966 5.398 ( 1.407 1.026 0.914) 1.966 5.429 ( -1.155 -0.041 -1.274) 1.720 5.429 ( -1.155 -0.041 1.274) 1.720 5.540 ( 0.422 0.350 -0.702) 0.891 5.540 ( 0.422 0.350 0.702) 0.891 5.557 ( -1.137 -0.247 -1.770) 2.119 5.557 ( -1.137 -0.247 1.770) 2.119 5.896 ( 2.077 1.321 -0.836) 2.599 5.896 ( 2.077 1.321 0.836) 2.599 5.925 ( -0.791 0.628 -0.842) 1.314 5.925 ( -0.791 0.628 0.842) 1.314 5.995 ( 2.113 0.154 -0.759) 2.251 5.995 ( 2.113 0.154 0.759) 2.251 6.009 ( 0.865 -0.260 -0.479) 1.022 6.009 ( 0.865 -0.260 0.479) 1.022 6.252 ( 1.583 2.086 -1.727) 3.137 6.252 ( 1.583 2.086 1.727) 3.137 6.293 ( -1.866 1.254 -3.078) 3.811 6.293 ( -1.866 1.254 3.078) 3.811 6.414 ( 0.811 -1.904 -1.396) 2.497 6.414 ( 0.811 -1.904 1.396) 2.497 6.468 ( -3.969 -3.328 -2.128) 5.600 6.468 ( -3.969 -3.328 2.128) 5.600 9.167 ( 0.975 0.877 -0.592) 1.439 9.167 ( 0.975 0.877 0.592) 1.439 9.189 ( -1.034 0.680 -0.528) 1.346 9.189 ( -1.034 0.680 0.528) 1.346 9.232 ( 1.521 -0.741 -1.512) 2.269 9.232 ( 1.521 -0.741 1.512) 2.269 9.261 ( -1.158 -1.326 -1.922) 2.607 9.261 ( -1.158 -1.326 1.922) 2.607 9.400 ( 0.793 2.305 -1.456) 2.840 9.400 ( 0.793 2.305 1.456) 2.840 9.414 ( -0.460 1.557 -1.869) 2.476 9.414 ( -0.460 1.557 1.869) 2.476 9.555 ( 1.205 -1.856 -0.600) 2.293 9.555 ( 1.205 -1.856 0.600) 2.293 9.579 ( -1.251 -2.560 -0.654) 2.923 9.579 ( -1.251 -2.560 0.654) 2.923 10.562 ( 1.354 0.412 -0.439) 1.482 10.562 ( 1.354 0.412 0.439) 1.482 10.568 ( 0.769 0.201 -0.455) 0.916 10.568 ( 0.769 0.201 0.455) 0.916 10.644 ( 1.481 0.323 -0.178) 1.526 10.644 ( 1.481 0.323 0.178) 1.526 10.660 ( -0.014 -0.234 -0.526) 0.576 10.660 ( -0.014 -0.234 0.526) 0.576 ======================= Grid point 81 (26/30) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 0.000 -6.298 -2.875) 6.923 0.398 ( 0.000 -6.298 2.875) 6.923 0.398 ( 0.000 6.298 -2.875) 6.923 0.398 ( 0.000 6.298 2.875) 6.923 0.470 ( 0.000 -4.382 -4.503) 6.283 0.470 ( 0.000 4.382 -4.503) 6.283 0.470 ( 0.000 -4.382 4.503) 6.283 0.470 ( 0.000 4.382 4.503) 6.283 0.661 ( 0.000 -0.195 -7.629) 7.632 0.661 ( 0.000 0.195 -7.629) 7.632 0.661 ( 0.000 -0.195 7.629) 7.632 0.661 ( 0.000 0.195 7.629) 7.632 0.745 ( 0.000 -1.528 -2.324) 2.781 0.745 ( 0.000 1.528 -2.324) 2.781 0.745 ( 0.000 -1.528 2.324) 2.781 0.745 ( 0.000 1.528 2.324) 2.781 0.842 ( 0.000 -1.740 -3.618) 4.014 0.842 ( 0.000 1.740 -3.618) 4.014 0.842 ( 0.000 -1.740 3.618) 4.014 0.842 ( 0.000 1.740 3.618) 4.014 0.887 ( 0.000 -1.275 -4.726) 4.895 0.887 ( 0.000 1.275 -4.726) 4.895 0.887 ( 0.000 -1.275 4.726) 4.895 0.887 ( 0.000 1.275 4.726) 4.895 1.015 ( 0.000 -0.137 -0.435) 0.456 1.015 ( 0.000 0.137 -0.435) 0.456 1.015 ( 0.000 -0.137 0.435) 0.456 1.015 ( 0.000 0.137 0.435) 0.456 1.068 ( 0.000 -1.793 -0.964) 2.036 1.068 ( 0.000 -1.793 0.964) 2.036 1.068 ( 0.000 1.793 -0.964) 2.036 1.068 ( 0.000 1.793 0.964) 2.036 1.101 ( 0.000 -3.411 -1.036) 3.565 1.101 ( 0.000 -3.411 1.036) 3.565 1.101 ( 0.000 3.411 -1.036) 3.565 1.101 ( 0.000 3.411 1.036) 3.565 1.175 ( 0.000 -1.954 -3.011) 3.589 1.175 ( 0.000 1.954 -3.011) 3.589 1.175 ( 0.000 -1.954 3.011) 3.589 1.175 ( 0.000 1.954 3.011) 3.589 1.249 ( 0.000 -1.847 -1.730) 2.531 1.249 ( 0.000 1.847 -1.730) 2.531 1.249 ( 0.000 -1.847 1.730) 2.531 1.249 ( 0.000 1.847 1.730) 2.531 1.307 ( 0.000 -2.167 -0.952) 2.367 1.307 ( 0.000 -2.167 0.952) 2.367 1.307 ( 0.000 2.167 -0.952) 2.367 1.307 ( 0.000 2.167 0.952) 2.367 1.367 ( 0.000 -0.199 -1.664) 1.676 1.367 ( 0.000 0.199 -1.664) 1.676 1.367 ( 0.000 -0.199 1.664) 1.676 1.367 ( 0.000 0.199 1.664) 1.676 1.439 ( 0.000 -0.454 -0.275) 0.531 1.439 ( 0.000 -0.454 0.275) 0.531 1.439 ( 0.000 0.454 -0.275) 0.531 1.439 ( 0.000 0.454 0.275) 0.531 1.530 ( 0.000 -1.438 -2.517) 2.899 1.530 ( 0.000 1.438 -2.517) 2.899 1.530 ( 0.000 -1.438 2.517) 2.899 1.530 ( 0.000 1.438 2.517) 2.899 1.569 ( 0.000 -1.619 -1.629) 2.296 1.569 ( 0.000 1.619 -1.629) 2.296 1.569 ( 0.000 -1.619 1.629) 2.296 1.569 ( 0.000 1.619 1.629) 2.296 1.813 ( 0.000 -0.790 -0.720) 1.069 1.813 ( 0.000 0.790 -0.720) 1.069 1.813 ( 0.000 -0.790 0.720) 1.069 1.813 ( 0.000 0.790 0.720) 1.069 1.889 ( 0.000 -1.220 -1.677) 2.074 1.889 ( 0.000 1.220 -1.677) 2.074 1.889 ( 0.000 -1.220 1.677) 2.074 1.889 ( 0.000 1.220 1.677) 2.074 2.224 ( 0.000 -0.841 -1.793) 1.980 2.224 ( 0.000 0.841 -1.793) 1.980 2.224 ( 0.000 -0.841 1.793) 1.980 2.224 ( 0.000 0.841 1.793) 1.980 2.313 ( 0.000 -0.481 -0.217) 0.528 2.313 ( 0.000 -0.481 0.217) 0.528 2.313 ( 0.000 0.481 -0.217) 0.528 2.313 ( 0.000 0.481 0.217) 0.528 2.494 ( 0.000 -0.263 -0.626) 0.679 2.494 ( 0.000 0.263 -0.626) 0.679 2.494 ( 0.000 -0.263 0.626) 0.679 2.494 ( 0.000 0.263 0.626) 0.679 2.592 ( 0.000 -4.006 -1.361) 4.231 2.592 ( 0.000 -4.006 1.361) 4.231 2.592 ( 0.000 4.006 -1.361) 4.231 2.592 ( 0.000 4.006 1.361) 4.231 2.801 ( 0.000 -2.095 -0.941) 2.296 2.801 ( 0.000 -2.095 0.941) 2.296 2.801 ( 0.000 2.095 -0.941) 2.296 2.801 ( 0.000 2.095 0.941) 2.296 2.927 ( 0.000 -3.658 -3.797) 5.273 2.927 ( 0.000 3.658 -3.797) 5.273 2.927 ( 0.000 -3.658 3.797) 5.273 2.927 ( 0.000 3.658 3.797) 5.273 3.597 ( 0.000 -2.624 -3.113) 4.071 3.597 ( 0.000 2.624 -3.113) 4.071 3.597 ( 0.000 -2.624 3.113) 4.071 3.597 ( 0.000 2.624 3.113) 4.071 3.811 ( 0.000 -0.130 -2.417) 2.420 3.811 ( 0.000 0.130 -2.417) 2.420 3.811 ( 0.000 -0.130 2.417) 2.420 3.811 ( 0.000 0.130 2.417) 2.420 4.178 ( 0.000 -1.314 -1.416) 1.931 4.178 ( 0.000 1.314 -1.416) 1.931 4.178 ( 0.000 -1.314 1.416) 1.931 4.178 ( 0.000 1.314 1.416) 1.931 4.286 ( 0.000 -1.596 -0.883) 1.824 4.286 ( 0.000 -1.596 0.883) 1.824 4.286 ( 0.000 1.596 -0.883) 1.824 4.286 ( 0.000 1.596 0.883) 1.824 4.521 ( 0.000 -0.026 -1.245) 1.245 4.521 ( 0.000 0.026 -1.245) 1.245 4.521 ( 0.000 -0.026 1.245) 1.245 4.521 ( 0.000 0.026 1.245) 1.245 4.729 ( 0.000 -2.859 -2.580) 3.851 4.729 ( 0.000 2.859 -2.580) 3.851 4.729 ( 0.000 -2.859 2.580) 3.851 4.729 ( 0.000 2.859 2.580) 3.851 5.349 ( 0.000 -1.855 -5.096) 5.424 5.349 ( 0.000 1.855 -5.096) 5.424 5.349 ( 0.000 -1.855 5.096) 5.424 5.349 ( 0.000 1.855 5.096) 5.424 5.549 ( 0.000 -2.247 -1.955) 2.978 5.549 ( 0.000 2.247 -1.955) 2.978 5.549 ( 0.000 -2.247 1.955) 2.978 5.549 ( 0.000 2.247 1.955) 2.978 5.767 ( 0.000 -1.921 -2.480) 3.137 5.767 ( 0.000 1.921 -2.480) 3.137 5.767 ( 0.000 -1.921 2.480) 3.137 5.767 ( 0.000 1.921 2.480) 3.137 5.839 ( 0.000 -0.996 -0.629) 1.178 5.839 ( 0.000 -0.996 0.629) 1.178 5.839 ( 0.000 0.996 -0.629) 1.178 5.839 ( 0.000 0.996 0.629) 1.178 6.349 ( 0.000 -1.424 -1.891) 2.367 6.349 ( 0.000 1.424 -1.891) 2.367 6.349 ( 0.000 -1.424 1.891) 2.367 6.349 ( 0.000 1.424 1.891) 2.367 6.495 ( 0.000 -2.287 -2.742) 3.571 6.495 ( 0.000 2.287 -2.742) 3.571 6.495 ( 0.000 -2.287 2.742) 3.571 6.495 ( 0.000 2.287 2.742) 3.571 9.010 ( 0.000 -0.027 -1.183) 1.183 9.010 ( 0.000 0.027 -1.183) 1.183 9.010 ( 0.000 -0.027 1.183) 1.183 9.010 ( 0.000 0.027 1.183) 1.183 9.061 ( 0.000 -0.284 -0.265) 0.389 9.061 ( 0.000 0.284 -0.265) 0.389 9.061 ( 0.000 -0.284 0.265) 0.389 9.061 ( 0.000 0.284 0.265) 0.389 9.405 ( 0.000 -0.084 -3.589) 3.590 9.405 ( 0.000 0.084 -3.589) 3.590 9.405 ( 0.000 -0.084 3.589) 3.590 9.405 ( 0.000 0.084 3.589) 3.590 9.670 ( 0.000 -0.637 -6.418) 6.449 9.670 ( 0.000 0.637 -6.418) 6.449 9.670 ( 0.000 -0.637 6.418) 6.449 9.670 ( 0.000 0.637 6.418) 6.449 10.478 ( 0.000 -0.648 -0.966) 1.163 10.478 ( 0.000 0.648 -0.966) 1.163 10.478 ( 0.000 -0.648 0.966) 1.163 10.478 ( 0.000 0.648 0.966) 1.163 10.569 ( 0.000 -0.658 -1.388) 1.536 10.569 ( 0.000 0.658 -1.388) 1.536 10.569 ( 0.000 -0.658 1.388) 1.536 10.569 ( 0.000 0.658 1.388) 1.536 ======================= Grid point 85 (27/30) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 1.486 -7.012 -1.685) 7.364 0.414 ( 1.486 -7.010 1.680) 7.360 0.414 ( 1.486 7.010 -1.680) 7.360 0.414 ( 1.486 7.012 1.685) 7.364 0.513 ( 4.077 -6.335 -2.369) 7.897 0.513 ( 4.077 -6.020 1.971) 7.533 0.513 ( 4.077 6.020 -1.971) 7.533 0.513 ( 4.077 6.335 2.369) 7.897 0.674 ( -0.071 -2.060 -4.464) 4.917 0.674 ( -0.071 1.949 -4.442) 4.851 0.674 ( -0.071 -1.949 4.442) 4.851 0.674 ( -0.071 2.060 4.464) 4.917 0.734 ( 1.255 -1.232 -1.191) 2.124 0.734 ( 1.255 0.507 -0.926) 1.640 0.734 ( 1.255 -0.507 0.926) 1.640 0.734 ( 1.255 1.232 1.191) 2.124 0.854 ( 1.231 -1.668 -2.407) 3.177 0.854 ( 1.231 1.031 -2.242) 2.758 0.854 ( 1.231 -1.031 2.242) 2.758 0.854 ( 1.231 1.668 2.407) 3.177 0.944 ( 4.354 -1.398 -3.993) 6.071 0.944 ( 4.354 0.536 -3.899) 5.869 0.944 ( 4.354 -0.536 3.899) 5.869 0.944 ( 4.354 1.398 3.993) 6.071 1.019 ( 0.593 -0.981 -2.312) 2.580 1.019 ( 0.593 0.917 -2.300) 2.546 1.019 ( 0.593 -0.917 2.300) 2.546 1.019 ( 0.593 0.981 2.312) 2.580 1.085 ( 1.856 -1.376 -1.947) 3.022 1.085 ( 1.856 1.199 -1.895) 2.911 1.085 ( 1.856 -1.199 1.895) 2.911 1.085 ( 1.856 1.376 1.947) 3.022 1.131 ( 2.162 -2.439 -0.544) 3.304 1.131 ( 2.162 -2.307 -0.131) 3.164 1.131 ( 2.162 2.307 0.131) 3.164 1.131 ( 2.162 2.439 0.544) 3.304 1.190 ( 1.020 -1.730 -2.731) 3.390 1.190 ( 1.020 1.726 -2.730) 3.387 1.190 ( 1.020 -1.726 2.730) 3.387 1.190 ( 1.020 1.730 2.731) 3.390 1.240 ( -0.396 -1.645 -1.276) 2.119 1.240 ( -0.396 -0.780 -0.835) 1.209 1.240 ( -0.396 0.780 0.835) 1.209 1.240 ( -0.396 1.645 1.276) 2.119 1.318 ( 0.807 -1.088 -0.397) 1.412 1.318 ( 0.807 -0.916 -0.063) 1.222 1.318 ( 0.807 0.916 0.063) 1.222 1.318 ( 0.807 1.088 0.397) 1.412 1.381 ( 1.057 -0.390 -1.840) 2.158 1.381 ( 1.057 -0.073 -1.822) 2.108 1.381 ( 1.057 0.073 1.822) 2.108 1.381 ( 1.057 0.390 1.840) 2.158 1.441 ( 0.258 -1.647 -0.980) 1.934 1.441 ( 0.258 -1.139 0.576) 1.302 1.441 ( 0.258 1.139 -0.576) 1.302 1.441 ( 0.258 1.647 0.980) 1.934 1.531 ( 0.436 -1.203 -1.963) 2.343 1.531 ( 0.436 1.203 -1.963) 2.343 1.531 ( 0.436 -1.203 1.963) 2.343 1.531 ( 0.436 1.203 1.963) 2.343 1.583 ( 1.129 -0.744 -1.774) 2.230 1.583 ( 1.129 0.224 -1.710) 2.061 1.583 ( 1.129 -0.224 1.710) 2.061 1.583 ( 1.129 0.744 1.774) 2.230 1.800 ( -1.546 -0.458 -0.540) 1.701 1.800 ( -1.546 0.340 -0.500) 1.660 1.800 ( -1.546 -0.340 0.500) 1.660 1.800 ( -1.546 0.458 0.540) 1.701 1.857 ( -2.870 -0.360 -1.258) 3.154 1.857 ( -2.870 0.346 -1.256) 3.152 1.857 ( -2.870 -0.346 1.256) 3.152 1.857 ( -2.870 0.360 1.258) 3.154 2.253 ( 2.509 -0.225 -1.541) 2.953 2.253 ( 2.509 0.210 -1.540) 2.952 2.253 ( 2.509 -0.210 1.540) 2.952 2.253 ( 2.509 0.225 1.541) 2.953 2.352 ( 3.546 -1.937 -2.585) 4.797 2.352 ( 3.546 -0.130 -2.241) 4.196 2.352 ( 3.546 0.130 2.241) 4.196 2.352 ( 3.546 1.937 2.585) 4.797 2.527 ( 3.593 -1.045 -2.097) 4.289 2.527 ( 3.593 0.966 -2.080) 4.262 2.527 ( 3.593 -0.966 2.080) 4.262 2.527 ( 3.593 1.045 2.097) 4.289 2.612 ( 2.157 -3.344 -2.479) 4.688 2.612 ( 2.157 -0.593 -1.154) 2.518 2.612 ( 2.157 0.593 1.154) 2.518 2.612 ( 2.157 3.344 2.479) 4.688 2.813 ( 0.891 -2.524 -1.783) 3.216 2.813 ( 0.891 -0.142 -0.597) 1.082 2.813 ( 0.891 0.142 0.597) 1.082 2.813 ( 0.891 2.524 1.783) 3.216 2.935 ( 1.286 -2.339 -2.329) 3.543 2.935 ( 1.286 1.992 -2.181) 3.221 2.935 ( 1.286 -1.992 2.181) 3.221 2.935 ( 1.286 2.339 2.329) 3.543 3.589 ( -0.664 -1.892 -3.007) 3.615 3.589 ( -0.664 1.854 -2.997) 3.586 3.589 ( -0.664 -1.854 2.997) 3.586 3.589 ( -0.664 1.892 3.007) 3.615 3.788 ( -2.260 -0.298 -2.591) 3.451 3.788 ( -2.260 0.296 -2.590) 3.450 3.788 ( -2.260 -0.296 2.590) 3.450 3.788 ( -2.260 0.298 2.591) 3.451 4.153 ( -1.900 -1.086 -0.467) 2.237 4.153 ( -1.900 -0.858 -0.147) 2.090 4.153 ( -1.900 0.858 0.147) 2.090 4.153 ( -1.900 1.086 0.467) 2.237 4.266 ( -1.696 -0.752 -0.823) 2.029 4.266 ( -1.696 0.669 -0.790) 1.987 4.266 ( -1.696 -0.669 0.790) 1.987 4.266 ( -1.696 0.752 0.823) 2.029 4.525 ( 0.508 -0.392 -0.565) 0.855 4.525 ( 0.508 -0.048 -0.501) 0.716 4.525 ( 0.508 0.048 0.501) 0.716 4.525 ( 0.508 0.392 0.565) 0.855 4.734 ( 0.226 -3.021 -2.346) 3.831 4.734 ( 0.226 2.928 -2.293) 3.726 4.734 ( 0.226 -2.928 2.293) 3.726 4.734 ( 0.226 3.021 2.346) 3.831 5.355 ( 0.591 -1.186 -4.664) 4.848 5.355 ( 0.591 1.156 -4.660) 4.838 5.355 ( 0.591 -1.156 4.660) 4.838 5.355 ( 0.591 1.186 4.664) 4.848 5.562 ( 0.939 -1.704 -2.467) 3.142 5.562 ( 0.939 1.495 -2.407) 2.985 5.562 ( 0.939 -1.495 2.407) 2.985 5.562 ( 0.939 1.704 2.467) 3.142 5.783 ( 1.990 -2.403 -1.121) 3.315 5.783 ( 1.990 -2.229 0.948) 3.135 5.783 ( 1.990 2.229 -0.948) 3.135 5.783 ( 1.990 2.403 1.121) 3.315 5.867 ( 2.042 -4.128 -1.956) 5.003 5.867 ( 2.042 -3.935 1.771) 4.774 5.867 ( 2.042 3.935 -1.771) 4.774 5.867 ( 2.042 4.128 1.956) 5.003 6.332 ( -1.304 -1.412 -2.340) 3.028 6.332 ( -1.304 1.129 -2.271) 2.851 6.332 ( -1.304 -1.129 2.271) 2.851 6.332 ( -1.304 1.412 2.340) 3.028 6.517 ( 1.342 -2.019 -3.180) 3.998 6.517 ( 1.342 1.438 -3.036) 3.617 6.517 ( 1.342 -1.438 3.036) 3.617 6.517 ( 1.342 2.019 3.180) 3.998 9.040 ( 2.966 -1.369 -0.724) 3.346 9.040 ( 2.966 -0.940 -0.289) 3.125 9.040 ( 2.966 0.940 0.289) 3.125 9.040 ( 2.966 1.369 0.724) 3.346 9.120 ( 4.842 -0.450 -1.930) 5.232 9.120 ( 4.842 0.440 -1.929) 5.231 9.120 ( 4.842 -0.440 1.929) 5.231 9.120 ( 4.842 0.450 1.930) 5.232 9.410 ( 0.591 -0.330 -3.427) 3.493 9.410 ( 0.591 0.322 -3.427) 3.492 9.410 ( 0.591 -0.322 3.427) 3.492 9.410 ( 0.591 0.330 3.427) 3.493 9.635 ( -3.210 -1.841 -5.224) 6.402 9.635 ( -3.210 1.812 -5.219) 6.389 9.635 ( -3.210 -1.812 5.219) 6.389 9.635 ( -3.210 1.841 5.224) 6.402 10.482 ( 0.371 -0.600 -0.946) 1.180 10.482 ( 0.371 0.375 -0.893) 1.038 10.482 ( 0.371 -0.375 0.893) 1.038 10.482 ( 0.371 0.600 0.946) 1.180 10.572 ( 0.516 -1.096 -1.030) 1.590 10.572 ( 0.516 0.867 -0.928) 1.370 10.572 ( 0.516 -0.867 0.928) 1.370 10.572 ( 0.516 1.096 1.030) 1.590 ======================= Grid point 89 (28/30) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 3.630 -2.929 -1.051) 4.782 0.466 ( 3.630 -2.492 -0.225) 4.409 0.466 ( 3.630 2.492 0.225) 4.409 0.466 ( 3.630 2.929 1.051) 4.782 0.594 ( 3.595 -4.379 -1.643) 5.899 0.594 ( 3.595 -4.159 1.365) 5.664 0.594 ( 3.595 4.159 -1.365) 5.664 0.594 ( 3.595 4.379 1.643) 5.899 0.673 ( 1.066 -0.639 -1.574) 2.005 0.673 ( 1.066 0.044 -1.515) 1.853 0.673 ( 1.066 -0.044 1.515) 1.853 0.673 ( 1.066 0.639 1.574) 2.005 0.796 ( 3.807 -1.963 -0.552) 4.318 0.796 ( 3.807 -1.780 0.011) 4.202 0.796 ( 3.807 1.780 -0.011) 4.202 0.796 ( 3.807 1.963 0.552) 4.318 0.889 ( 1.995 -3.035 -3.612) 5.122 0.889 ( 1.995 2.731 -3.502) 4.869 0.889 ( 1.995 -2.731 3.502) 4.869 0.889 ( 1.995 3.035 3.612) 5.122 1.002 ( 1.517 -0.922 -1.124) 2.101 1.002 ( 1.517 0.898 -1.115) 2.086 1.002 ( 1.517 -0.898 1.115) 2.086 1.002 ( 1.517 0.922 1.124) 2.101 1.046 ( 1.453 -0.264 -2.190) 2.642 1.046 ( 1.453 0.233 -2.189) 2.638 1.046 ( 1.453 -0.233 2.189) 2.638 1.046 ( 1.453 0.264 2.190) 2.642 1.126 ( 1.060 -0.810 -1.375) 1.916 1.126 ( 1.060 -0.307 -1.281) 1.691 1.126 ( 1.060 0.307 1.281) 1.691 1.126 ( 1.060 0.810 1.375) 1.916 1.154 ( -0.617 -1.418 -0.705) 1.700 1.154 ( -0.617 -0.948 -0.045) 1.132 1.154 ( -0.617 0.948 0.045) 1.132 1.154 ( -0.617 1.418 0.705) 1.700 1.220 ( 3.057 -0.719 -1.795) 3.617 1.220 ( 3.057 0.359 -1.747) 3.539 1.220 ( 3.057 -0.359 1.747) 3.539 1.220 ( 3.057 0.719 1.795) 3.617 1.250 ( 1.408 -1.083 -1.671) 2.439 1.250 ( 1.408 0.820 -1.603) 2.286 1.250 ( 1.408 -0.820 1.603) 2.286 1.250 ( 1.408 1.083 1.671) 2.439 1.340 ( 1.761 -1.394 -1.112) 2.506 1.340 ( 1.761 0.248 -0.631) 1.887 1.340 ( 1.761 -0.248 0.631) 1.887 1.340 ( 1.761 1.394 1.112) 2.506 1.400 ( 0.963 -1.144 -2.302) 2.745 1.400 ( 0.963 0.438 -2.191) 2.433 1.400 ( 0.963 -0.438 2.191) 2.433 1.400 ( 0.963 1.144 2.302) 2.745 1.459 ( 1.843 -1.655 -1.546) 2.920 1.459 ( 1.843 1.013 -1.276) 2.460 1.459 ( 1.843 -1.013 1.276) 2.460 1.459 ( 1.843 1.655 1.546) 2.920 1.544 ( 0.388 -0.540 -1.855) 1.971 1.544 ( 0.388 0.538 -1.855) 1.970 1.544 ( 0.388 -0.538 1.855) 1.970 1.544 ( 0.388 0.540 1.855) 1.971 1.606 ( 1.021 -1.345 -2.782) 3.255 1.606 ( 1.021 0.941 -2.707) 3.043 1.606 ( 1.021 -0.941 2.707) 3.043 1.606 ( 1.021 1.345 2.782) 3.255 1.752 ( -2.700 -1.589 -0.986) 3.284 1.752 ( -2.700 -0.643 0.184) 2.782 1.752 ( -2.700 0.643 -0.184) 2.782 1.752 ( -2.700 1.589 0.986) 3.284 1.801 ( -2.343 -1.910 -0.896) 3.153 1.801 ( -2.343 -1.390 0.202) 2.732 1.801 ( -2.343 1.390 -0.202) 2.732 1.801 ( -2.343 1.910 0.896) 3.153 2.307 ( 2.913 -0.885 -1.409) 3.355 2.307 ( 2.913 0.667 -1.355) 3.281 2.307 ( 2.913 -0.667 1.355) 3.281 2.307 ( 2.913 0.885 1.409) 3.355 2.428 ( 3.485 -0.384 -3.263) 4.790 2.428 ( 3.485 0.023 -3.253) 4.767 2.428 ( 3.485 -0.023 3.253) 4.767 2.428 ( 3.485 0.384 3.263) 4.790 2.613 ( 3.637 -1.535 -1.805) 4.341 2.613 ( 3.637 0.503 -1.524) 3.976 2.613 ( 3.637 -0.503 1.524) 3.976 2.613 ( 3.637 1.535 1.805) 4.341 2.670 ( 3.033 -2.863 -1.819) 4.550 2.670 ( 3.033 -1.171 -0.524) 3.293 2.670 ( 3.033 1.171 0.524) 3.293 2.670 ( 3.033 2.863 1.819) 4.550 2.841 ( 3.068 -1.075 -0.710) 3.328 2.841 ( 3.068 -0.436 -0.275) 3.111 2.841 ( 3.068 0.436 0.275) 3.111 2.841 ( 3.068 1.075 0.710) 3.328 2.998 ( 5.252 -1.829 -0.211) 5.565 2.998 ( 5.252 -1.814 0.142) 5.558 2.998 ( 5.252 1.814 -0.142) 5.558 2.998 ( 5.252 1.829 0.211) 5.565 3.577 ( -0.402 -0.803 -2.214) 2.389 3.577 ( -0.402 0.757 -2.206) 2.367 3.577 ( -0.402 -0.757 2.206) 2.367 3.577 ( -0.402 0.803 2.214) 2.389 3.729 ( -3.527 -0.491 -2.689) 4.462 3.729 ( -3.527 0.488 -2.689) 4.462 3.729 ( -3.527 -0.488 2.689) 4.462 3.729 ( -3.527 0.491 2.689) 4.462 4.123 ( -0.884 -0.635 -0.125) 1.096 4.123 ( -0.884 -0.617 0.075) 1.081 4.123 ( -0.884 0.617 -0.075) 1.081 4.123 ( -0.884 0.635 0.125) 1.096 4.230 ( -1.768 -0.502 -0.171) 1.845 4.230 ( -1.768 -0.488 0.151) 1.840 4.230 ( -1.768 0.488 -0.151) 1.840 4.230 ( -1.768 0.502 0.171) 1.845 4.536 ( 0.352 -0.754 -0.168) 0.849 4.536 ( 0.352 -0.748 0.155) 0.841 4.536 ( 0.352 0.748 -0.155) 0.841 4.536 ( 0.352 0.754 0.168) 0.849 4.732 ( -0.375 -2.138 -1.460) 2.616 4.732 ( -0.375 1.717 -1.188) 2.121 4.732 ( -0.375 -1.717 1.188) 2.121 4.732 ( -0.375 2.138 1.460) 2.616 5.373 ( 1.209 -0.662 -3.582) 3.839 5.373 ( 1.209 0.662 -3.582) 3.839 5.373 ( 1.209 -0.662 3.582) 3.839 5.373 ( 1.209 0.662 3.582) 3.839 5.575 ( 0.201 -1.665 -3.029) 3.462 5.575 ( 0.201 1.594 -3.012) 3.414 5.575 ( 0.201 -1.594 3.012) 3.414 5.575 ( 0.201 1.665 3.029) 3.462 5.843 ( 3.572 -2.143 -0.845) 4.251 5.843 ( 3.572 -1.757 0.208) 3.986 5.843 ( 3.572 1.757 -0.208) 3.986 5.843 ( 3.572 2.143 0.845) 4.251 5.905 ( 1.860 -2.933 -1.003) 3.615 5.905 ( 1.860 -2.927 0.995) 3.608 5.905 ( 1.860 2.927 -0.995) 3.608 5.905 ( 1.860 2.933 1.003) 3.615 6.307 ( -1.116 -1.605 -2.784) 3.401 6.307 ( -1.116 0.901 -2.639) 3.003 6.307 ( -1.116 -0.901 2.639) 3.003 6.307 ( -1.116 1.605 2.784) 3.401 6.519 ( -1.378 -2.752 -3.337) 4.540 6.519 ( -1.378 1.258 -2.911) 3.457 6.519 ( -1.378 -1.258 2.911) 3.457 6.519 ( -1.378 2.752 3.337) 4.540 9.108 ( 3.361 -0.630 -0.837) 3.521 9.108 ( 3.361 -0.234 -0.741) 3.450 9.108 ( 3.361 0.234 0.741) 3.450 9.108 ( 3.361 0.630 0.837) 3.521 9.207 ( 3.296 -0.731 -3.051) 4.550 9.207 ( 3.296 0.309 -3.019) 4.480 9.207 ( 3.296 -0.309 3.019) 4.480 9.207 ( 3.296 0.731 3.051) 4.550 9.427 ( 0.862 -0.423 -2.988) 3.139 9.427 ( 0.862 0.408 -2.987) 3.136 9.427 ( 0.862 -0.408 2.987) 3.136 9.427 ( 0.862 0.423 2.988) 3.139 9.567 ( -2.951 -3.053 -2.601) 4.980 9.567 ( -2.951 2.632 -2.388) 4.620 9.567 ( -2.951 -2.632 2.388) 4.620 9.567 ( -2.951 3.053 2.601) 4.980 10.497 ( 1.351 -0.538 -0.679) 1.605 10.497 ( 1.351 -0.041 -0.577) 1.469 10.497 ( 1.351 0.041 0.577) 1.469 10.497 ( 1.351 0.538 0.679) 1.605 10.594 ( 1.601 -1.339 -0.718) 2.207 10.594 ( 1.601 -1.011 0.416) 1.939 10.594 ( 1.601 1.011 -0.416) 1.939 10.594 ( 1.601 1.339 0.718) 2.207 ======================= Grid point 93 (29/30) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 2.947 -2.198 -0.722) 3.746 0.536 ( 2.947 -2.192 0.714) 3.741 0.536 ( 2.947 2.192 -0.714) 3.741 0.536 ( 2.947 2.198 0.722) 3.746 0.665 ( 3.768 -2.414 -0.620) 4.517 0.665 ( 3.768 -2.405 0.605) 4.510 0.665 ( 3.768 2.405 -0.605) 4.510 0.665 ( 3.768 2.414 0.620) 4.517 0.713 ( 2.537 -0.810 -1.641) 3.128 0.713 ( 2.537 0.796 -1.638) 3.123 0.713 ( 2.537 -0.796 1.638) 3.123 0.713 ( 2.537 0.810 1.641) 3.128 0.862 ( 2.290 -1.705 -1.375) 3.169 0.862 ( 2.290 1.566 -1.299) 3.063 0.862 ( 2.290 -1.566 1.299) 3.063 0.862 ( 2.290 1.705 1.375) 3.169 0.927 ( 1.951 -1.992 -2.881) 4.009 0.927 ( 1.951 1.988 -2.880) 4.007 0.927 ( 1.951 -1.988 2.880) 4.007 0.927 ( 1.951 1.992 2.881) 4.009 1.015 ( -0.241 -0.617 -0.892) 1.111 1.015 ( -0.241 0.594 -0.885) 1.093 1.015 ( -0.241 -0.594 0.885) 1.093 1.015 ( -0.241 0.617 0.892) 1.111 1.066 ( 0.798 -0.846 -1.698) 2.058 1.066 ( 0.798 0.845 -1.698) 2.057 1.066 ( 0.798 -0.845 1.698) 2.057 1.066 ( 0.798 0.846 1.698) 2.058 1.099 ( -2.097 -2.361 -0.307) 3.173 1.099 ( -2.097 -2.338 0.214) 3.148 1.099 ( -2.097 2.338 -0.214) 3.148 1.099 ( -2.097 2.361 0.307) 3.173 1.164 ( 1.412 -0.518 -1.709) 2.277 1.164 ( 1.412 0.111 -1.676) 2.194 1.164 ( 1.412 -0.111 1.676) 2.194 1.164 ( 1.412 0.518 1.709) 2.277 1.256 ( -0.076 -1.557 -1.792) 2.376 1.256 ( -0.076 1.225 -1.674) 2.076 1.256 ( -0.076 -1.225 1.674) 2.076 1.256 ( -0.076 1.557 1.792) 2.376 1.286 ( 1.921 -1.470 -0.384) 2.449 1.286 ( 1.921 -1.403 0.249) 2.392 1.286 ( 1.921 1.403 -0.249) 2.392 1.286 ( 1.921 1.470 0.384) 2.449 1.385 ( 1.972 -0.896 -1.401) 2.580 1.385 ( 1.972 0.819 -1.380) 2.543 1.385 ( 1.972 -0.819 1.380) 2.543 1.385 ( 1.972 0.896 1.401) 2.580 1.419 ( 0.642 -1.274 -0.942) 1.710 1.419 ( 0.642 -0.523 -0.536) 0.986 1.419 ( 0.642 0.523 0.536) 0.986 1.419 ( 0.642 1.274 0.942) 1.710 1.496 ( -0.005 -2.733 -1.036) 2.922 1.496 ( -0.005 -2.321 0.386) 2.353 1.496 ( -0.005 2.321 -0.386) 2.353 1.496 ( -0.005 2.733 1.036) 2.922 1.551 ( 2.059 -2.850 -1.549) 3.842 1.551 ( 2.059 -1.663 0.139) 2.650 1.551 ( 2.059 1.663 -0.139) 2.650 1.551 ( 2.059 2.850 1.549) 3.842 1.617 ( 0.229 -0.291 -2.298) 2.328 1.617 ( 0.229 0.287 -2.298) 2.327 1.617 ( 0.229 -0.287 2.298) 2.327 1.617 ( 0.229 0.291 2.298) 2.328 1.720 ( -0.503 -1.803 -1.264) 2.259 1.720 ( -0.503 -0.034 -0.391) 0.638 1.720 ( -0.503 0.034 0.391) 0.638 1.720 ( -0.503 1.803 1.264) 2.259 1.773 ( -0.464 -1.965 -1.371) 2.440 1.773 ( -0.464 -0.671 -0.604) 1.015 1.773 ( -0.464 0.671 0.604) 1.015 1.773 ( -0.464 1.965 1.371) 2.440 2.366 ( 2.944 -0.573 -1.346) 3.287 2.366 ( 2.944 0.411 -1.319) 3.252 2.366 ( 2.944 -0.411 1.319) 3.252 2.366 ( 2.944 0.573 1.346) 3.287 2.477 ( 1.405 -0.343 -2.684) 3.049 2.477 ( 1.405 0.333 -2.683) 3.047 2.477 ( 1.405 -0.333 2.683) 3.047 2.477 ( 1.405 0.343 2.684) 3.049 2.645 ( 0.154 -0.523 -1.995) 2.068 2.645 ( 0.154 0.411 -1.983) 2.031 2.645 ( 0.154 -0.411 1.983) 2.031 2.645 ( 0.154 0.523 1.995) 2.068 2.697 ( -0.023 -3.119 -1.420) 3.427 2.697 ( -0.023 -2.278 -0.008) 2.278 2.697 ( -0.023 2.278 0.008) 2.278 2.697 ( -0.023 3.119 1.420) 3.427 2.955 ( 7.109 -0.590 -0.991) 7.202 2.955 ( 7.109 -0.283 -0.930) 7.175 2.955 ( 7.109 0.283 0.930) 7.175 2.955 ( 7.109 0.590 0.991) 7.202 3.122 ( 6.325 -1.652 -0.233) 6.541 3.122 ( 6.325 -1.626 0.127) 6.531 3.122 ( 6.325 1.626 -0.127) 6.531 3.122 ( 6.325 1.652 0.233) 6.541 3.573 ( -0.232 -0.314 -0.908) 0.989 3.573 ( -0.232 0.041 -0.884) 0.915 3.573 ( -0.232 -0.041 0.884) 0.915 3.573 ( -0.232 0.314 0.908) 0.989 3.663 ( -2.651 -0.369 -2.471) 3.643 3.663 ( -2.651 0.356 -2.471) 3.641 3.663 ( -2.651 -0.356 2.471) 3.641 3.663 ( -2.651 0.369 2.471) 3.643 4.120 ( 0.476 -0.353 -0.173) 0.617 4.120 ( 0.476 -0.294 0.115) 0.572 4.120 ( 0.476 0.294 -0.115) 0.572 4.120 ( 0.476 0.353 0.173) 0.617 4.200 ( -1.306 -0.418 -0.673) 1.527 4.200 ( -1.306 0.008 -0.613) 1.442 4.200 ( -1.306 -0.008 0.613) 1.442 4.200 ( -1.306 0.418 0.673) 1.527 4.530 ( -1.036 -0.809 -0.400) 1.374 4.530 ( -1.036 -0.572 0.120) 1.189 4.530 ( -1.036 0.572 -0.120) 1.189 4.530 ( -1.036 0.809 0.400) 1.374 4.727 ( 0.035 -1.198 -0.571) 1.327 4.727 ( 0.035 -1.174 0.548) 1.296 4.727 ( 0.035 1.174 -0.548) 1.296 4.727 ( 0.035 1.198 0.571) 1.327 5.399 ( 1.310 -1.201 -2.386) 2.975 5.399 ( 1.310 1.187 -2.383) 2.967 5.399 ( 1.310 -1.187 2.383) 2.967 5.399 ( 1.310 1.201 2.386) 2.975 5.567 ( -0.861 -1.146 -2.431) 2.822 5.567 ( -0.861 1.105 -2.423) 2.799 5.567 ( -0.861 -1.105 2.423) 2.799 5.567 ( -0.861 1.146 2.431) 2.822 5.900 ( 1.922 -2.624 -1.155) 3.451 5.900 ( 1.922 -2.590 1.121) 3.415 5.900 ( 1.922 2.590 -1.121) 3.415 5.900 ( 1.922 2.624 1.155) 3.451 5.952 ( 2.942 -1.116 -0.596) 3.202 5.952 ( 2.942 -0.818 -0.315) 3.069 5.952 ( 2.942 0.818 0.315) 3.069 5.952 ( 2.942 1.116 0.596) 3.202 6.293 ( -0.214 -1.781 -2.178) 2.821 6.293 ( -0.214 -0.104 -1.827) 1.843 6.293 ( -0.214 0.104 1.827) 1.843 6.293 ( -0.214 1.781 2.178) 2.821 6.467 ( -3.488 -2.980 -2.677) 5.312 6.467 ( -3.488 1.482 -2.048) 4.308 6.467 ( -3.488 -1.482 2.048) 4.308 6.467 ( -3.488 2.980 2.677) 5.312 9.160 ( 1.886 -0.667 -1.095) 2.281 9.160 ( 1.886 0.378 -1.032) 2.183 9.160 ( 1.886 -0.378 1.032) 2.183 9.160 ( 1.886 0.667 1.095) 2.281 9.243 ( 0.398 -1.039 -2.265) 2.523 9.243 ( 0.398 0.681 -2.204) 2.340 9.243 ( 0.398 -0.681 2.204) 2.340 9.243 ( 0.398 1.039 2.265) 2.523 9.434 ( 0.046 -0.135 -1.798) 1.803 9.434 ( 0.046 0.131 -1.797) 1.803 9.434 ( 0.046 -0.131 1.797) 1.803 9.434 ( 0.046 0.135 1.798) 1.803 9.535 ( -0.478 -2.504 -0.343) 2.572 9.535 ( -0.478 -2.494 0.312) 2.559 9.535 ( -0.478 2.494 -0.312) 2.559 9.535 ( -0.478 2.504 0.343) 2.572 10.534 ( 2.132 -0.338 -0.343) 2.186 10.534 ( 2.132 -0.180 -0.285) 2.158 10.534 ( 2.132 0.180 0.285) 2.158 10.534 ( 2.132 0.338 0.343) 2.186 10.628 ( 1.664 -1.072 -0.526) 2.048 10.628 ( 1.664 -0.920 0.377) 1.939 10.628 ( 1.664 0.920 -0.377) 1.939 10.628 ( 1.664 1.072 0.526) 2.048 ======================= Grid point 97 (30/30) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 1.045 -1.256 -0.219) 1.649 0.575 ( 1.045 -1.256 0.218) 1.649 0.575 ( 1.045 1.256 -0.218) 1.649 0.575 ( 1.045 1.257 0.219) 1.649 0.714 ( 0.940 -1.629 -0.325) 1.909 0.714 ( 0.940 -1.621 0.306) 1.899 0.714 ( 0.940 1.621 -0.306) 1.899 0.714 ( 0.940 1.629 0.325) 1.909 0.780 ( 3.697 -1.402 -1.136) 4.113 0.780 ( 3.697 -0.111 -0.650) 3.755 0.780 ( 3.697 0.111 0.650) 3.755 0.780 ( 3.697 1.402 1.136) 4.113 0.869 ( -1.421 -0.948 -0.859) 1.912 0.869 ( -1.421 -0.259 -0.607) 1.567 0.869 ( -1.421 0.259 0.607) 1.567 0.869 ( -1.421 0.948 0.859) 1.912 0.960 ( 1.139 -0.944 -0.886) 1.725 0.960 ( 1.139 0.073 -0.625) 1.301 0.960 ( 1.139 -0.073 0.625) 1.301 0.960 ( 1.139 0.944 0.886) 1.725 1.006 ( -0.514 -0.467 -0.787) 1.049 1.006 ( -0.514 0.416 -0.774) 1.018 1.006 ( -0.514 -0.416 0.774) 1.018 1.006 ( -0.514 0.467 0.787) 1.049 1.058 ( -0.530 -0.875 -0.418) 1.105 1.058 ( -0.530 -0.777 0.320) 0.994 1.058 ( -0.530 0.777 -0.320) 0.994 1.058 ( -0.530 0.875 0.418) 1.105 1.101 ( 1.057 -0.998 -1.039) 1.787 1.101 ( 1.057 -0.126 -0.803) 1.333 1.101 ( 1.057 0.126 0.803) 1.333 1.101 ( 1.057 0.998 1.039) 1.787 1.191 ( 1.181 -0.360 -0.994) 1.585 1.191 ( 1.181 -0.295 -0.984) 1.565 1.191 ( 1.181 0.295 0.984) 1.565 1.191 ( 1.181 0.360 0.994) 1.585 1.233 ( -1.626 -1.282 -1.068) 2.330 1.233 ( -1.626 -0.283 -0.669) 1.780 1.233 ( -1.626 0.283 0.669) 1.780 1.233 ( -1.626 1.282 1.068) 2.330 1.327 ( 2.267 -1.485 -0.898) 2.855 1.327 ( 2.267 -0.723 -0.242) 2.392 1.327 ( 2.267 0.723 0.242) 2.392 1.327 ( 2.267 1.485 0.898) 2.855 1.384 ( -2.090 -1.451 -1.389) 2.899 1.384 ( -2.090 1.146 -1.256) 2.694 1.384 ( -2.090 -1.146 1.256) 2.694 1.384 ( -2.090 1.451 1.389) 2.899 1.430 ( 0.773 -0.771 -0.728) 1.312 1.430 ( 0.773 0.469 -0.603) 1.086 1.430 ( 0.773 -0.469 0.603) 1.086 1.430 ( 0.773 0.771 0.728) 1.312 1.477 ( -0.705 -0.551 -0.697) 1.134 1.477 ( -0.705 0.545 -0.695) 1.130 1.477 ( -0.705 -0.545 0.695) 1.130 1.477 ( -0.705 0.551 0.697) 1.134 1.591 ( 0.546 -1.521 -0.606) 1.726 1.591 ( 0.546 -1.236 -0.137) 1.358 1.591 ( 0.546 1.236 0.137) 1.358 1.591 ( 0.546 1.521 0.606) 1.726 1.633 ( 1.332 -0.825 -1.559) 2.210 1.633 ( 1.332 0.774 -1.547) 2.183 1.633 ( 1.332 -0.774 1.547) 2.183 1.633 ( 1.332 0.825 1.559) 2.210 1.721 ( 0.262 -0.974 -0.207) 1.030 1.721 ( 0.262 -0.937 0.105) 0.979 1.721 ( 0.262 0.937 -0.105) 0.979 1.721 ( 0.262 0.974 0.207) 1.030 1.773 ( 0.135 -0.812 -0.687) 1.072 1.773 ( 0.135 -0.105 -0.429) 0.462 1.773 ( 0.135 0.105 0.429) 0.462 1.773 ( 0.135 0.812 0.687) 1.072 2.413 ( 1.425 -0.316 -0.873) 1.701 2.413 ( 1.425 0.287 -0.869) 1.693 2.413 ( 1.425 -0.287 0.869) 1.693 2.413 ( 1.425 0.316 0.873) 1.701 2.488 ( 0.007 -0.054 -1.252) 1.253 2.488 ( 0.007 0.029 -1.251) 1.252 2.488 ( 0.007 -0.029 1.251) 1.252 2.488 ( 0.007 0.054 1.252) 1.253 2.643 ( -0.143 -0.520 -0.449) 0.701 2.643 ( -0.143 0.487 -0.432) 0.667 2.643 ( -0.143 -0.487 0.432) 0.667 2.643 ( -0.143 0.520 0.449) 0.701 2.690 ( -0.349 -0.869 -0.567) 1.094 2.690 ( -0.349 -0.291 -0.154) 0.480 2.690 ( -0.349 0.291 0.154) 0.480 2.690 ( -0.349 0.869 0.567) 1.094 3.065 ( 3.173 -0.454 -0.683) 3.277 3.065 ( 3.173 0.199 -0.627) 3.240 3.065 ( 3.173 -0.199 0.627) 3.240 3.065 ( 3.173 0.454 0.683) 3.277 3.215 ( 2.541 -0.604 -0.098) 2.614 3.215 ( 2.541 -0.592 0.057) 2.610 3.215 ( 2.541 0.592 -0.057) 2.610 3.215 ( 2.541 0.604 0.098) 2.614 3.564 ( -0.421 -0.351 -0.449) 0.708 3.564 ( -0.421 0.263 -0.421) 0.651 3.564 ( -0.421 -0.263 0.421) 0.651 3.564 ( -0.421 0.351 0.449) 0.708 3.635 ( -0.393 -0.228 -1.106) 1.196 3.635 ( -0.393 0.196 -1.104) 1.188 3.635 ( -0.393 -0.196 1.104) 1.188 3.635 ( -0.393 0.228 1.106) 1.196 4.135 ( 0.727 -0.420 -0.475) 0.965 4.135 ( 0.727 0.414 -0.472) 0.961 4.135 ( 0.727 -0.414 0.472) 0.961 4.135 ( 0.727 0.420 0.475) 0.965 4.179 ( -0.714 -0.356 -0.716) 1.072 4.179 ( -0.714 0.247 -0.696) 1.027 4.179 ( -0.714 -0.247 0.696) 1.027 4.179 ( -0.714 0.356 0.716) 1.072 4.506 ( -0.915 -0.364 -0.221) 1.009 4.506 ( -0.915 -0.205 -0.092) 0.942 4.506 ( -0.915 0.205 0.092) 0.942 4.506 ( -0.915 0.364 0.221) 1.009 4.730 ( 0.158 -0.395 -0.117) 0.441 4.730 ( 0.158 -0.394 0.115) 0.440 4.730 ( 0.158 0.394 -0.115) 0.440 4.730 ( 0.158 0.395 0.117) 0.441 5.420 ( 0.675 -0.838 -0.940) 1.429 5.420 ( 0.675 0.804 -0.927) 1.400 5.420 ( 0.675 -0.804 0.927) 1.400 5.420 ( 0.675 0.838 0.940) 1.429 5.549 ( -0.695 -0.442 -0.934) 1.246 5.549 ( -0.695 0.409 -0.927) 1.229 5.549 ( -0.695 -0.409 0.927) 1.229 5.549 ( -0.695 0.442 0.934) 1.246 5.924 ( 0.613 -0.937 -0.345) 1.172 5.924 ( 0.613 -0.933 0.340) 1.167 5.924 ( 0.613 0.933 -0.340) 1.167 5.924 ( 0.613 0.937 0.345) 1.172 6.001 ( 1.479 -0.381 -0.257) 1.549 6.001 ( 1.479 -0.288 -0.196) 1.519 6.001 ( 1.479 0.288 0.196) 1.519 6.001 ( 1.479 0.381 0.257) 1.549 6.300 ( 0.763 -1.358 -0.690) 1.704 6.300 ( 0.763 -1.144 -0.488) 1.459 6.300 ( 0.763 1.144 0.488) 1.459 6.300 ( 0.763 1.358 0.690) 1.704 6.400 ( -2.580 -1.928 -1.205) 3.439 6.400 ( -2.580 -1.009 0.504) 2.816 6.400 ( -2.580 1.009 -0.504) 2.816 6.400 ( -2.580 1.928 1.205) 3.439 9.188 ( 0.996 -0.896 -0.840) 1.581 9.188 ( 0.996 0.208 -0.606) 1.185 9.188 ( 0.996 -0.208 0.606) 1.185 9.188 ( 0.996 0.896 0.840) 1.581 9.233 ( -0.882 -1.052 -1.041) 1.723 9.233 ( -0.882 0.341 -0.803) 1.240 9.233 ( -0.882 -0.341 0.803) 1.240 9.233 ( -0.882 1.052 1.041) 1.723 9.438 ( 0.296 -0.278 -0.438) 0.598 9.438 ( 0.296 0.025 -0.398) 0.497 9.438 ( 0.296 -0.025 0.398) 0.497 9.438 ( 0.296 0.278 0.438) 0.598 9.532 ( -0.083 -0.788 -0.084) 0.797 9.532 ( -0.083 -0.788 0.084) 0.797 9.532 ( -0.083 0.788 -0.084) 0.797 9.532 ( -0.083 0.788 0.084) 0.797 10.569 ( 1.079 -0.127 -0.091) 1.091 10.569 ( 1.079 -0.102 -0.076) 1.087 10.569 ( 1.079 0.102 0.076) 1.087 10.569 ( 1.079 0.127 0.091) 1.091 10.653 ( 0.669 -0.427 -0.205) 0.820 10.653 ( 0.669 -0.379 0.157) 0.784 10.653 ( 0.669 0.379 -0.157) 0.784 10.653 ( 0.669 0.427 0.205) 0.820 =================== 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 3/12096 10.0 4.722 4.034 4.051 0.000 0.000 0.000 3/12096 20.0 1.920 1.398 1.350 0.000 0.000 0.000 3/12096 30.0 1.237 0.860 0.812 0.000 0.000 0.000 3/12096 40.0 0.920 0.624 0.582 0.000 0.000 0.000 3/12096 50.0 0.733 0.490 0.454 0.000 0.000 0.000 3/12096 60.0 0.610 0.403 0.373 0.000 0.000 0.000 3/12096 70.0 0.523 0.344 0.317 0.000 0.000 0.000 3/12096 80.0 0.458 0.300 0.276 0.000 0.000 0.000 3/12096 90.0 0.408 0.266 0.245 0.000 0.000 0.000 3/12096 100.0 0.368 0.239 0.220 0.000 0.000 0.000 3/12096 110.0 0.335 0.218 0.200 0.000 0.000 0.000 3/12096 120.0 0.308 0.200 0.184 0.000 0.000 0.000 3/12096 130.0 0.286 0.185 0.170 0.000 0.000 0.000 3/12096 140.0 0.266 0.172 0.158 0.000 0.000 0.000 3/12096 150.0 0.249 0.161 0.147 0.000 0.000 0.000 3/12096 160.0 0.234 0.151 0.138 0.000 0.000 0.000 3/12096 170.0 0.221 0.142 0.130 0.000 0.000 0.000 3/12096 180.0 0.209 0.134 0.123 0.000 0.000 0.000 3/12096 190.0 0.198 0.128 0.117 0.000 0.000 0.000 3/12096 200.0 0.189 0.121 0.111 0.000 0.000 0.000 3/12096 210.0 0.180 0.116 0.106 0.000 0.000 0.000 3/12096 220.0 0.172 0.111 0.101 0.000 0.000 0.000 3/12096 230.0 0.165 0.106 0.097 0.000 0.000 0.000 3/12096 240.0 0.158 0.101 0.093 0.000 0.000 0.000 3/12096 250.0 0.152 0.097 0.089 0.000 0.000 0.000 3/12096 260.0 0.146 0.094 0.086 0.000 0.000 0.000 3/12096 270.0 0.141 0.090 0.083 0.000 0.000 0.000 3/12096 280.0 0.136 0.087 0.080 0.000 0.000 0.000 3/12096 290.0 0.131 0.084 0.077 0.000 0.000 0.000 3/12096 300.0 0.127 0.081 0.075 0.000 0.000 0.000 3/12096 310.0 0.123 0.079 0.072 0.000 0.000 0.000 3/12096 320.0 0.119 0.076 0.070 0.000 0.000 0.000 3/12096 330.0 0.116 0.074 0.068 0.000 0.000 0.000 3/12096 340.0 0.112 0.072 0.066 0.000 0.000 0.000 3/12096 350.0 0.109 0.070 0.064 0.000 0.000 0.000 3/12096 360.0 0.106 0.068 0.062 0.000 0.000 0.000 3/12096 370.0 0.103 0.066 0.061 0.000 0.000 0.000 3/12096 380.0 0.101 0.065 0.059 0.000 0.000 0.000 3/12096 390.0 0.098 0.063 0.058 0.000 0.000 0.000 3/12096 400.0 0.096 0.061 0.056 0.000 0.000 0.000 3/12096 410.0 0.094 0.060 0.055 0.000 0.000 0.000 3/12096 420.0 0.091 0.058 0.054 0.000 0.000 0.000 3/12096 430.0 0.089 0.057 0.052 0.000 0.000 0.000 3/12096 440.0 0.087 0.056 0.051 0.000 0.000 0.000 3/12096 450.0 0.085 0.055 0.050 0.000 0.000 0.000 3/12096 460.0 0.083 0.053 0.049 0.000 0.000 0.000 3/12096 470.0 0.082 0.052 0.048 0.000 0.000 0.000 3/12096 480.0 0.080 0.051 0.047 0.000 0.000 0.000 3/12096 490.0 0.078 0.050 0.046 0.000 0.000 0.000 3/12096 500.0 0.077 0.049 0.045 0.000 0.000 0.000 3/12096 510.0 0.075 0.048 0.044 0.000 0.000 0.000 3/12096 520.0 0.074 0.047 0.043 0.000 0.000 0.000 3/12096 530.0 0.073 0.046 0.043 0.000 0.000 0.000 3/12096 540.0 0.071 0.046 0.042 0.000 0.000 0.000 3/12096 550.0 0.070 0.045 0.041 0.000 0.000 0.000 3/12096 560.0 0.069 0.044 0.040 0.000 0.000 0.000 3/12096 570.0 0.068 0.043 0.040 0.000 0.000 0.000 3/12096 580.0 0.066 0.042 0.039 0.000 0.000 0.000 3/12096 590.0 0.065 0.042 0.038 0.000 0.000 0.000 3/12096 600.0 0.064 0.041 0.038 0.000 0.000 0.000 3/12096 610.0 0.063 0.040 0.037 0.000 0.000 0.000 3/12096 620.0 0.062 0.040 0.036 0.000 0.000 0.000 3/12096 630.0 0.061 0.039 0.036 0.000 0.000 0.000 3/12096 640.0 0.060 0.038 0.035 0.000 0.000 0.000 3/12096 650.0 0.059 0.038 0.035 0.000 0.000 0.000 3/12096 660.0 0.058 0.037 0.034 0.000 0.000 0.000 3/12096 670.0 0.057 0.037 0.034 0.000 0.000 0.000 3/12096 680.0 0.057 0.036 0.033 0.000 0.000 0.000 3/12096 690.0 0.056 0.036 0.033 0.000 0.000 0.000 3/12096 700.0 0.055 0.035 0.032 0.000 0.000 0.000 3/12096 710.0 0.054 0.035 0.032 0.000 0.000 0.000 3/12096 720.0 0.054 0.034 0.031 0.000 0.000 0.000 3/12096 730.0 0.053 0.034 0.031 0.000 0.000 0.000 3/12096 740.0 0.052 0.033 0.030 0.000 0.000 0.000 3/12096 750.0 0.051 0.033 0.030 0.000 0.000 0.000 3/12096 760.0 0.051 0.032 0.030 0.000 0.000 0.000 3/12096 770.0 0.050 0.032 0.029 0.000 0.000 0.000 3/12096 780.0 0.049 0.032 0.029 0.000 0.000 0.000 3/12096 790.0 0.049 0.031 0.029 0.000 0.000 0.000 3/12096 800.0 0.048 0.031 0.028 0.000 0.000 0.000 3/12096 810.0 0.048 0.030 0.028 0.000 0.000 0.000 3/12096 820.0 0.047 0.030 0.028 0.000 0.000 0.000 3/12096 830.0 0.046 0.030 0.027 0.000 0.000 0.000 3/12096 840.0 0.046 0.029 0.027 0.000 0.000 0.000 3/12096 850.0 0.045 0.029 0.027 0.000 0.000 0.000 3/12096 860.0 0.045 0.029 0.026 0.000 0.000 0.000 3/12096 870.0 0.044 0.028 0.026 0.000 0.000 0.000 3/12096 880.0 0.044 0.028 0.026 0.000 0.000 0.000 3/12096 890.0 0.043 0.028 0.025 0.000 0.000 0.000 3/12096 900.0 0.043 0.027 0.025 0.000 0.000 0.000 3/12096 910.0 0.042 0.027 0.025 0.000 0.000 0.000 3/12096 920.0 0.042 0.027 0.025 0.000 0.000 0.000 3/12096 930.0 0.041 0.027 0.024 0.000 0.000 0.000 3/12096 940.0 0.041 0.026 0.024 0.000 0.000 0.000 3/12096 950.0 0.041 0.026 0.024 0.000 0.000 0.000 3/12096 960.0 0.040 0.026 0.024 0.000 0.000 0.000 3/12096 970.0 0.040 0.025 0.023 0.000 0.000 0.000 3/12096 980.0 0.039 0.025 0.023 0.000 0.000 0.000 3/12096 990.0 0.039 0.025 0.023 0.000 0.000 0.000 3/12096 1000.0 0.039 0.025 0.023 0.000 0.000 0.000 3/12096 Thermal conductivity related properties were written into "kappa-m942.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:11:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|