----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:24:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.011204228526360 0.000000000000000 0.000000000000000 b -3.005602114263180 5.205855569240265 0.000000000000000 c 0.000000000000000 0.000000000000000 11.577154589999999 Atomic positions (fractional): *1 Ho 0.66666666666667 0.33333333333333 0.77086451662116 164.930 *2 Ho 0.00000000000000 0.00000000000000 0.72831891551913 164.930 3 Ho 0.00000000000000 0.00000000000000 0.22831891551913 164.930 4 Ho 0.66666666666667 0.33333333333333 0.27086451662116 164.930 5 Ho 0.33333333333333 0.66666666666667 0.27086451662116 164.930 6 Ho 0.33333333333333 0.66666666666667 0.77086451662116 164.930 *7 Ga 0.33416763796807 0.33416763796807 0.50332063875341 69.723 8 Ga 0.66583236203193 0.66583236203193 0.00332063875341 69.723 9 Ga 0.00000000000000 0.66583236203193 0.50332063875341 69.723 10 Ga 0.00000000000000 0.33416763796807 0.00332063875341 69.723 11 Ga 0.33416763796807 0.00000000000000 0.00332063875341 69.723 12 Ga 0.66583236203193 0.00000000000000 0.50332063875341 69.723 *13 O 0.30534509070075 0.30534509070075 0.34008760786334 15.999 *14 O 0.36071612701447 0.36071612701447 0.66535561202065 15.999 15 O 0.63928387298553 0.63928387298553 0.16535561202065 15.999 16 O 0.69465490929925 0.69465490929925 0.84008760786334 15.999 *17 O 0.66666666666667 0.33333333333333 0.98297879344562 15.999 18 O 0.66666666666667 0.33333333333333 0.48297879344562 15.999 *19 O 0.00000000000000 0.00000000000000 0.52641803843512 15.999 20 O 0.00000000000000 0.00000000000000 0.02641803843512 15.999 21 O 0.00000000000000 0.69465490929925 0.34008760786334 15.999 22 O 0.00000000000000 0.63928387298553 0.66535561202065 15.999 23 O 0.30534509070075 0.00000000000000 0.84008760786334 15.999 24 O 0.00000000000000 0.36071612701447 0.16535561202065 15.999 25 O 0.00000000000000 0.30534509070075 0.84008760786334 15.999 26 O 0.36071612701447 0.00000000000000 0.16535561202065 15.999 27 O 0.33333333333333 0.66666666666667 0.48297879344562 15.999 28 O 0.33333333333333 0.66666666666667 0.98297879344562 15.999 29 O 0.63928387298553 0.00000000000000 0.66535561202065 15.999 30 O 0.69465490929925 0.00000000000000 0.34008760786334 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.011204228526360 0.000000000000000 0.000000000000000 b -3.005602114263180 5.205855569240265 0.000000000000000 c 0.000000000000000 0.000000000000000 11.577154589999999 Atomic positions (fractional): *1 Ho 0.66666666666667 0.33333333333333 0.77086451662116 164.930 > 1 *2 Ho 0.00000000000000 0.00000000000000 0.72831891551913 164.930 > 2 3 Ho 0.00000000000000 0.00000000000000 0.22831891551913 164.930 > 3 4 Ho 0.66666666666667 0.33333333333333 0.27086451662116 164.930 > 4 5 Ho 0.33333333333333 0.66666666666667 0.27086451662116 164.930 > 5 6 Ho 0.33333333333333 0.66666666666667 0.77086451662116 164.930 > 6 *7 Ga 0.33416763796807 0.33416763796807 0.50332063875341 69.723 > 7 8 Ga 0.66583236203193 0.66583236203193 0.00332063875341 69.723 > 8 9 Ga 0.00000000000000 0.66583236203193 0.50332063875341 69.723 > 9 10 Ga 0.00000000000000 0.33416763796807 0.00332063875341 69.723 > 10 11 Ga 0.33416763796807 0.00000000000000 0.00332063875341 69.723 > 11 12 Ga 0.66583236203193 0.00000000000000 0.50332063875341 69.723 > 12 *13 O 0.30534509070075 0.30534509070075 0.34008760786334 15.999 > 13 *14 O 0.36071612701447 0.36071612701447 0.66535561202065 15.999 > 14 15 O 0.63928387298553 0.63928387298553 0.16535561202065 15.999 > 15 16 O 0.69465490929925 0.69465490929925 0.84008760786334 15.999 > 16 *17 O 0.66666666666667 0.33333333333333 0.98297879344562 15.999 > 17 18 O 0.66666666666667 0.33333333333333 0.48297879344562 15.999 > 18 *19 O 0.00000000000000 0.00000000000000 0.52641803843512 15.999 > 19 20 O 0.00000000000000 0.00000000000000 0.02641803843512 15.999 > 20 21 O 0.00000000000000 0.69465490929925 0.34008760786334 15.999 > 21 22 O 0.00000000000000 0.63928387298553 0.66535561202065 15.999 > 22 23 O 0.30534509070075 0.00000000000000 0.84008760786334 15.999 > 23 24 O 0.00000000000000 0.36071612701447 0.16535561202065 15.999 > 24 25 O 0.00000000000000 0.30534509070075 0.84008760786334 15.999 > 25 26 O 0.36071612701447 0.00000000000000 0.16535561202065 15.999 > 26 27 O 0.33333333333333 0.66666666666667 0.48297879344562 15.999 > 27 28 O 0.33333333333333 0.66666666666667 0.98297879344562 15.999 > 28 29 O 0.63928387298553 0.00000000000000 0.66535561202065 15.999 > 29 30 O 0.69465490929925 0.00000000000000 0.34008760786334 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.022408457052720 0.000000000000000 0.000000000000000 b -6.011204228526360 10.411711138480531 0.000000000000000 c 0.000000000000000 0.000000000000000 11.577154589999999 Atomic positions (fractional): *1 Ho 0.33333333333333 0.16666666666667 0.77086451662116 164.930 > 1 2 Ho 0.83333333333333 0.16666666666667 0.77086451662116 164.930 > 1 3 Ho 0.33333333333333 0.66666666666667 0.77086451662116 164.930 > 1 4 Ho 0.83333333333333 0.66666666666667 0.77086451662116 164.930 > 1 *5 Ho 0.00000000000000 0.00000000000000 0.72831891551913 164.930 > 2 6 Ho 0.50000000000000 0.00000000000000 0.72831891551913 164.930 > 2 7 Ho 0.00000000000000 0.50000000000000 0.72831891551913 164.930 > 2 8 Ho 0.50000000000000 0.50000000000000 0.72831891551913 164.930 > 2 9 Ho 0.00000000000000 0.00000000000000 0.22831891551913 164.930 > 3 10 Ho 0.50000000000000 0.00000000000000 0.22831891551913 164.930 > 3 11 Ho 0.00000000000000 0.50000000000000 0.22831891551913 164.930 > 3 12 Ho 0.50000000000000 0.50000000000000 0.22831891551913 164.930 > 3 13 Ho 0.33333333333333 0.16666666666667 0.27086451662116 164.930 > 4 14 Ho 0.83333333333333 0.16666666666667 0.27086451662116 164.930 > 4 15 Ho 0.33333333333333 0.66666666666667 0.27086451662116 164.930 > 4 16 Ho 0.83333333333333 0.66666666666667 0.27086451662116 164.930 > 4 17 Ho 0.16666666666667 0.33333333333333 0.27086451662116 164.930 > 5 18 Ho 0.66666666666667 0.33333333333333 0.27086451662116 164.930 > 5 19 Ho 0.16666666666667 0.83333333333333 0.27086451662116 164.930 > 5 20 Ho 0.66666666666667 0.83333333333333 0.27086451662116 164.930 > 5 21 Ho 0.16666666666667 0.33333333333333 0.77086451662116 164.930 > 6 22 Ho 0.66666666666667 0.33333333333333 0.77086451662116 164.930 > 6 23 Ho 0.16666666666667 0.83333333333333 0.77086451662116 164.930 > 6 24 Ho 0.66666666666667 0.83333333333333 0.77086451662116 164.930 > 6 *25 Ga 0.16708381898403 0.16708381898403 0.50332063875341 69.723 > 7 26 Ga 0.66708381898403 0.16708381898403 0.50332063875341 69.723 > 7 27 Ga 0.16708381898403 0.66708381898403 0.50332063875341 69.723 > 7 28 Ga 0.66708381898403 0.66708381898403 0.50332063875341 69.723 > 7 29 Ga 0.33291618101597 0.33291618101597 0.00332063875341 69.723 > 8 30 Ga 0.83291618101597 0.33291618101597 0.00332063875341 69.723 > 8 31 Ga 0.33291618101597 0.83291618101597 0.00332063875341 69.723 > 8 32 Ga 0.83291618101597 0.83291618101597 0.00332063875341 69.723 > 8 33 Ga 0.00000000000000 0.33291618101597 0.50332063875341 69.723 > 9 34 Ga 0.50000000000000 0.33291618101597 0.50332063875341 69.723 > 9 35 Ga 0.00000000000000 0.83291618101597 0.50332063875341 69.723 > 9 36 Ga 0.50000000000000 0.83291618101597 0.50332063875341 69.723 > 9 37 Ga 0.00000000000000 0.16708381898403 0.00332063875341 69.723 > 10 38 Ga 0.50000000000000 0.16708381898403 0.00332063875341 69.723 > 10 39 Ga 0.00000000000000 0.66708381898403 0.00332063875341 69.723 > 10 40 Ga 0.50000000000000 0.66708381898403 0.00332063875341 69.723 > 10 41 Ga 0.16708381898403 0.00000000000000 0.00332063875341 69.723 > 11 42 Ga 0.66708381898403 0.00000000000000 0.00332063875341 69.723 > 11 43 Ga 0.16708381898403 0.50000000000000 0.00332063875341 69.723 > 11 44 Ga 0.66708381898403 0.50000000000000 0.00332063875341 69.723 > 11 45 Ga 0.33291618101597 0.00000000000000 0.50332063875341 69.723 > 12 46 Ga 0.83291618101597 0.00000000000000 0.50332063875341 69.723 > 12 47 Ga 0.33291618101597 0.50000000000000 0.50332063875341 69.723 > 12 48 Ga 0.83291618101597 0.50000000000000 0.50332063875341 69.723 > 12 *49 O 0.15267254535038 0.15267254535038 0.34008760786334 15.999 > 13 50 O 0.65267254535038 0.15267254535038 0.34008760786334 15.999 > 13 51 O 0.15267254535038 0.65267254535038 0.34008760786334 15.999 > 13 52 O 0.65267254535038 0.65267254535038 0.34008760786334 15.999 > 13 *53 O 0.18035806350723 0.18035806350723 0.66535561202065 15.999 > 14 54 O 0.68035806350724 0.18035806350723 0.66535561202065 15.999 > 14 55 O 0.18035806350723 0.68035806350724 0.66535561202065 15.999 > 14 56 O 0.68035806350724 0.68035806350724 0.66535561202065 15.999 > 14 57 O 0.31964193649277 0.31964193649277 0.16535561202065 15.999 > 15 58 O 0.81964193649276 0.31964193649277 0.16535561202065 15.999 > 15 59 O 0.31964193649277 0.81964193649276 0.16535561202065 15.999 > 15 60 O 0.81964193649276 0.81964193649276 0.16535561202065 15.999 > 15 61 O 0.34732745464962 0.34732745464962 0.84008760786334 15.999 > 16 62 O 0.84732745464962 0.34732745464962 0.84008760786334 15.999 > 16 63 O 0.34732745464962 0.84732745464962 0.84008760786334 15.999 > 16 64 O 0.84732745464962 0.84732745464962 0.84008760786334 15.999 > 16 *65 O 0.33333333333333 0.16666666666667 0.98297879344562 15.999 > 17 66 O 0.83333333333333 0.16666666666667 0.98297879344562 15.999 > 17 67 O 0.33333333333333 0.66666666666667 0.98297879344562 15.999 > 17 68 O 0.83333333333333 0.66666666666667 0.98297879344562 15.999 > 17 69 O 0.33333333333333 0.16666666666667 0.48297879344562 15.999 > 18 70 O 0.83333333333333 0.16666666666667 0.48297879344562 15.999 > 18 71 O 0.33333333333333 0.66666666666667 0.48297879344562 15.999 > 18 72 O 0.83333333333333 0.66666666666667 0.48297879344562 15.999 > 18 *73 O 0.00000000000000 0.00000000000000 0.52641803843512 15.999 > 19 74 O 0.50000000000000 0.00000000000000 0.52641803843512 15.999 > 19 75 O 0.00000000000000 0.50000000000000 0.52641803843512 15.999 > 19 76 O 0.50000000000000 0.50000000000000 0.52641803843512 15.999 > 19 77 O 0.00000000000000 0.00000000000000 0.02641803843512 15.999 > 20 78 O 0.50000000000000 0.00000000000000 0.02641803843512 15.999 > 20 79 O 0.00000000000000 0.50000000000000 0.02641803843512 15.999 > 20 80 O 0.50000000000000 0.50000000000000 0.02641803843512 15.999 > 20 81 O 0.00000000000000 0.34732745464962 0.34008760786334 15.999 > 21 82 O 0.50000000000000 0.34732745464962 0.34008760786334 15.999 > 21 83 O 0.00000000000000 0.84732745464962 0.34008760786334 15.999 > 21 84 O 0.50000000000000 0.84732745464962 0.34008760786334 15.999 > 21 85 O 0.00000000000000 0.31964193649277 0.66535561202065 15.999 > 22 86 O 0.50000000000000 0.31964193649277 0.66535561202065 15.999 > 22 87 O 0.00000000000000 0.81964193649276 0.66535561202065 15.999 > 22 88 O 0.50000000000000 0.81964193649276 0.66535561202065 15.999 > 22 89 O 0.15267254535038 0.00000000000000 0.84008760786334 15.999 > 23 90 O 0.65267254535038 0.00000000000000 0.84008760786334 15.999 > 23 91 O 0.15267254535038 0.50000000000000 0.84008760786334 15.999 > 23 92 O 0.65267254535038 0.50000000000000 0.84008760786334 15.999 > 23 93 O 0.00000000000000 0.18035806350723 0.16535561202065 15.999 > 24 94 O 0.50000000000000 0.18035806350723 0.16535561202065 15.999 > 24 95 O 0.00000000000000 0.68035806350724 0.16535561202065 15.999 > 24 96 O 0.50000000000000 0.68035806350724 0.16535561202065 15.999 > 24 97 O 0.00000000000000 0.15267254535038 0.84008760786334 15.999 > 25 98 O 0.50000000000000 0.15267254535038 0.84008760786334 15.999 > 25 99 O 0.00000000000000 0.65267254535038 0.84008760786334 15.999 > 25 100 O 0.50000000000000 0.65267254535038 0.84008760786334 15.999 > 25 101 O 0.18035806350723 0.00000000000000 0.16535561202065 15.999 > 26 102 O 0.68035806350724 0.00000000000000 0.16535561202065 15.999 > 26 103 O 0.18035806350723 0.50000000000000 0.16535561202065 15.999 > 26 104 O 0.68035806350724 0.50000000000000 0.16535561202065 15.999 > 26 105 O 0.16666666666667 0.33333333333333 0.48297879344562 15.999 > 27 106 O 0.66666666666667 0.33333333333333 0.48297879344562 15.999 > 27 107 O 0.16666666666667 0.83333333333333 0.48297879344562 15.999 > 27 108 O 0.66666666666667 0.83333333333333 0.48297879344562 15.999 > 27 109 O 0.16666666666667 0.33333333333333 0.98297879344562 15.999 > 28 110 O 0.66666666666667 0.33333333333333 0.98297879344562 15.999 > 28 111 O 0.16666666666667 0.83333333333333 0.98297879344562 15.999 > 28 112 O 0.66666666666667 0.83333333333333 0.98297879344562 15.999 > 28 113 O 0.31964193649277 0.00000000000000 0.66535561202065 15.999 > 29 114 O 0.81964193649276 0.00000000000000 0.66535561202065 15.999 > 29 115 O 0.31964193649277 0.50000000000000 0.66535561202065 15.999 > 29 116 O 0.81964193649276 0.50000000000000 0.66535561202065 15.999 > 29 117 O 0.34732745464962 0.00000000000000 0.34008760786334 15.999 > 30 118 O 0.84732745464962 0.00000000000000 0.34008760786334 15.999 > 30 119 O 0.34732745464962 0.50000000000000 0.34008760786334 15.999 > 30 120 O 0.84732745464962 0.50000000000000 0.34008760786334 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2367809 -0.0000000 0.0000000 0.0000000 4.2367809 0.0000000 0.0000000 0.0000000 4.2622342 -------------------------- Born effective charges -------------------------- 1 Ho 3.9053890 -0.1162978 -0.0000000 0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 2 Ho 3.8204291 0.0000000 -0.0000000 0.0000000 3.8204291 0.0000000 0.0000000 -0.0000000 3.4824123 3 Ho 3.8204291 0.0000000 -0.0000000 0.0000000 3.8204291 0.0000000 0.0000000 -0.0000000 3.4824123 4 Ho 3.9053890 0.1162978 -0.0000000 -0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 5 Ho 3.9053890 -0.1162978 -0.0000000 0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 6 Ho 3.9053890 0.1162978 -0.0000000 -0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 7 Ga 2.8695463 -0.0036295 -0.0854606 -0.0036295 2.8653553 -0.1480220 -0.0413005 -0.0715346 3.4432572 8 Ga 2.8695463 -0.0036295 0.0854606 -0.0036295 2.8653553 0.1480220 0.0413005 0.0715346 3.4432572 9 Ga 2.8695463 0.0036295 -0.0854606 0.0036295 2.8653553 0.1480220 -0.0413005 0.0715346 3.4432572 10 Ga 2.8695463 0.0036295 0.0854606 0.0036295 2.8653553 -0.1480220 0.0413005 -0.0715346 3.4432572 11 Ga 2.8632598 -0.0000000 -0.1709211 0.0000000 2.8716418 0.0000000 -0.0826010 -0.0000000 3.4432572 12 Ga 2.8632598 -0.0000000 0.1709211 0.0000000 2.8716418 0.0000000 0.0826010 0.0000000 3.4432572 13 O -2.3210699 0.0328024 -0.0950914 0.0328024 -2.2831930 -0.1647032 -0.0663949 -0.1149994 -2.3836180 14 O -2.2056594 -0.0127582 -0.0893564 -0.0127582 -2.2203913 -0.1547698 -0.0548083 -0.0949308 -2.5067149 15 O -2.2056594 -0.0127582 0.0893564 -0.0127582 -2.2203913 0.1547698 0.0548083 0.0949308 -2.5067149 16 O -2.3210699 0.0328024 0.0950914 0.0328024 -2.2831930 0.1647032 0.0663949 0.1149994 -2.3836180 17 O -2.2329631 0.0042789 -0.0000000 -0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 18 O -2.2329631 -0.0042789 -0.0000000 0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 19 O -2.2221630 0.0000000 -0.0000000 0.0000000 -2.2221630 0.0000000 0.0000000 -0.0000000 -2.0362230 20 O -2.2221630 0.0000000 -0.0000000 0.0000000 -2.2221630 0.0000000 0.0000000 -0.0000000 -2.0362230 21 O -2.3210699 -0.0328024 -0.0950914 -0.0328024 -2.2831930 0.1647032 -0.0663949 0.1149994 -2.3836180 22 O -2.2056594 0.0127582 -0.0893564 0.0127582 -2.2203913 0.1547698 -0.0548083 0.0949308 -2.5067149 23 O -2.2642545 0.0000000 -0.1901829 0.0000000 -2.3400084 0.0000000 -0.1327898 -0.0000000 -2.3836180 24 O -2.2056594 0.0127582 0.0893564 0.0127582 -2.2203913 -0.1547698 0.0548083 -0.0949308 -2.5067149 25 O -2.3210699 -0.0328024 0.0950914 -0.0328024 -2.2831930 -0.1647032 0.0663949 -0.1149994 -2.3836180 26 O -2.2277572 -0.0000000 -0.1787127 0.0000000 -2.1982935 0.0000000 -0.1096166 -0.0000000 -2.5067149 27 O -2.2329631 0.0042789 -0.0000000 -0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 28 O -2.2329631 -0.0042789 -0.0000000 0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 29 O -2.2277572 -0.0000000 0.1787127 0.0000000 -2.1982935 0.0000000 0.1096166 0.0000000 -2.5067149 30 O -2.2642545 0.0000000 0.1901829 0.0000000 -2.3400084 0.0000000 0.1327898 0.0000000 -2.3836180 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 794 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 13 --- Eigsh_solver_block: 1 / 13 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 153 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 13 --- Block_size: 566 Use submatrix version of eigh solver. (1) Block: 566 / 566 (2) Block: 250 / 566 (2) 244 eigenvectors found. (2) Block: 500 / 566 (2) 244 eigenvectors found. (2) Block: 566 / 566 (2) 62 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 13 --- Block_size: 214 Use standard eigh solver. --- Eigsh_solver_block: 4 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 13 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (214, 207), data: True |-- (566, 560), data: False |-- (566, 560), data: False |-- (566, 10), data: (566, 16) @ (16, 10) |-- (66, 62), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 7), data: (660, 19) @ (19, 7) |-- (160, 153), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 1.993 Solver_block: 200 / 320 - Time: 2.013 Solver_block: 300 / 320 - Time: 2.007 Solver_block: 320 / 320 - Time: 0.475 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.524 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 794 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 13 --- Eigsh_solver_block: 1 / 13 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 153 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 13 --- Block_size: 566 Use submatrix version of eigh solver. (1) Block: 566 / 566 (2) Block: 250 / 566 (2) 244 eigenvectors found. (2) Block: 500 / 566 (2) 244 eigenvectors found. (2) Block: 566 / 566 (2) 62 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 13 --- Block_size: 214 Use standard eigh solver. --- Eigsh_solver_block: 4 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 13 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 13 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (214, 207), data: True |-- (566, 560), data: False |-- (566, 560), data: False |-- (566, 10), data: (566, 16) @ (16, 10) |-- (66, 62), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 7), data: (660, 19) @ (19, 7) |-- (160, 153), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-09 01:24:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:24:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.011204228526360 0.000000000000000 0.000000000000000 b -3.005602114263180 5.205855569240265 0.000000000000000 c 0.000000000000000 0.000000000000000 11.577154589999999 Atomic positions (fractional): 1 Ho 0.66666666666667 0.33333333333333 0.77086451662116 164.930 2 Ho 0.00000000000000 0.00000000000000 0.72831891551913 164.930 3 Ho 0.00000000000000 0.00000000000000 0.22831891551913 164.930 4 Ho 0.66666666666667 0.33333333333333 0.27086451662116 164.930 5 Ho 0.33333333333333 0.66666666666667 0.27086451662116 164.930 6 Ho 0.33333333333333 0.66666666666667 0.77086451662116 164.930 7 Ga 0.33416763796807 0.33416763796807 0.50332063875341 69.723 8 Ga 0.66583236203193 0.66583236203193 0.00332063875341 69.723 9 Ga 0.00000000000000 0.66583236203193 0.50332063875341 69.723 10 Ga 0.00000000000000 0.33416763796807 0.00332063875341 69.723 11 Ga 0.33416763796807 0.00000000000000 0.00332063875341 69.723 12 Ga 0.66583236203193 0.00000000000000 0.50332063875341 69.723 13 O 0.30534509070075 0.30534509070075 0.34008760786334 15.999 14 O 0.36071612701447 0.36071612701447 0.66535561202065 15.999 15 O 0.63928387298553 0.63928387298553 0.16535561202065 15.999 16 O 0.69465490929925 0.69465490929925 0.84008760786334 15.999 17 O 0.66666666666667 0.33333333333333 0.98297879344562 15.999 18 O 0.66666666666667 0.33333333333333 0.48297879344562 15.999 19 O 0.00000000000000 0.00000000000000 0.52641803843512 15.999 20 O 0.00000000000000 0.00000000000000 0.02641803843512 15.999 21 O 0.00000000000000 0.69465490929925 0.34008760786334 15.999 22 O 0.00000000000000 0.63928387298553 0.66535561202065 15.999 23 O 0.30534509070075 0.00000000000000 0.84008760786334 15.999 24 O 0.00000000000000 0.36071612701447 0.16535561202065 15.999 25 O 0.00000000000000 0.30534509070075 0.84008760786334 15.999 26 O 0.36071612701447 0.00000000000000 0.16535561202065 15.999 27 O 0.33333333333333 0.66666666666667 0.48297879344562 15.999 28 O 0.33333333333333 0.66666666666667 0.98297879344562 15.999 29 O 0.63928387298553 0.00000000000000 0.66535561202065 15.999 30 O 0.69465490929925 0.00000000000000 0.34008760786334 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.022408457052720 0.000000000000000 0.000000000000000 b -6.011204228526360 10.411711138480531 0.000000000000000 c 0.000000000000000 0.000000000000000 11.577154589999999 Atomic positions (fractional): 1 Ho 0.33333333333333 0.16666666666667 0.77086451662116 164.930 > 1 2 Ho 0.83333333333333 0.16666666666667 0.77086451662116 164.930 > 1 3 Ho 0.33333333333333 0.66666666666667 0.77086451662116 164.930 > 1 4 Ho 0.83333333333333 0.66666666666667 0.77086451662116 164.930 > 1 5 Ho 0.00000000000000 0.00000000000000 0.72831891551913 164.930 > 5 6 Ho 0.50000000000000 0.00000000000000 0.72831891551913 164.930 > 5 7 Ho 0.00000000000000 0.50000000000000 0.72831891551913 164.930 > 5 8 Ho 0.50000000000000 0.50000000000000 0.72831891551913 164.930 > 5 9 Ho 0.00000000000000 0.00000000000000 0.22831891551913 164.930 > 9 10 Ho 0.50000000000000 0.00000000000000 0.22831891551913 164.930 > 9 11 Ho 0.00000000000000 0.50000000000000 0.22831891551913 164.930 > 9 12 Ho 0.50000000000000 0.50000000000000 0.22831891551913 164.930 > 9 13 Ho 0.33333333333333 0.16666666666667 0.27086451662116 164.930 > 13 14 Ho 0.83333333333333 0.16666666666667 0.27086451662116 164.930 > 13 15 Ho 0.33333333333333 0.66666666666667 0.27086451662116 164.930 > 13 16 Ho 0.83333333333333 0.66666666666667 0.27086451662116 164.930 > 13 17 Ho 0.16666666666667 0.33333333333333 0.27086451662116 164.930 > 17 18 Ho 0.66666666666667 0.33333333333333 0.27086451662116 164.930 > 17 19 Ho 0.16666666666667 0.83333333333333 0.27086451662116 164.930 > 17 20 Ho 0.66666666666667 0.83333333333333 0.27086451662116 164.930 > 17 21 Ho 0.16666666666667 0.33333333333333 0.77086451662116 164.930 > 21 22 Ho 0.66666666666667 0.33333333333333 0.77086451662116 164.930 > 21 23 Ho 0.16666666666667 0.83333333333333 0.77086451662116 164.930 > 21 24 Ho 0.66666666666667 0.83333333333333 0.77086451662116 164.930 > 21 25 Ga 0.16708381898403 0.16708381898403 0.50332063875341 69.723 > 25 26 Ga 0.66708381898403 0.16708381898403 0.50332063875341 69.723 > 25 27 Ga 0.16708381898403 0.66708381898403 0.50332063875341 69.723 > 25 28 Ga 0.66708381898403 0.66708381898403 0.50332063875341 69.723 > 25 29 Ga 0.33291618101597 0.33291618101597 0.00332063875341 69.723 > 29 30 Ga 0.83291618101597 0.33291618101597 0.00332063875341 69.723 > 29 31 Ga 0.33291618101597 0.83291618101597 0.00332063875341 69.723 > 29 32 Ga 0.83291618101597 0.83291618101597 0.00332063875341 69.723 > 29 33 Ga 0.00000000000000 0.33291618101597 0.50332063875341 69.723 > 33 34 Ga 0.50000000000000 0.33291618101597 0.50332063875341 69.723 > 33 35 Ga 0.00000000000000 0.83291618101597 0.50332063875341 69.723 > 33 36 Ga 0.50000000000000 0.83291618101597 0.50332063875341 69.723 > 33 37 Ga 0.00000000000000 0.16708381898403 0.00332063875341 69.723 > 37 38 Ga 0.50000000000000 0.16708381898403 0.00332063875341 69.723 > 37 39 Ga 0.00000000000000 0.66708381898403 0.00332063875341 69.723 > 37 40 Ga 0.50000000000000 0.66708381898403 0.00332063875341 69.723 > 37 41 Ga 0.16708381898403 0.00000000000000 0.00332063875341 69.723 > 41 42 Ga 0.66708381898403 0.00000000000000 0.00332063875341 69.723 > 41 43 Ga 0.16708381898403 0.50000000000000 0.00332063875341 69.723 > 41 44 Ga 0.66708381898403 0.50000000000000 0.00332063875341 69.723 > 41 45 Ga 0.33291618101597 0.00000000000000 0.50332063875341 69.723 > 45 46 Ga 0.83291618101597 0.00000000000000 0.50332063875341 69.723 > 45 47 Ga 0.33291618101597 0.50000000000000 0.50332063875341 69.723 > 45 48 Ga 0.83291618101597 0.50000000000000 0.50332063875341 69.723 > 45 49 O 0.15267254535038 0.15267254535038 0.34008760786334 15.999 > 49 50 O 0.65267254535038 0.15267254535038 0.34008760786334 15.999 > 49 51 O 0.15267254535038 0.65267254535038 0.34008760786334 15.999 > 49 52 O 0.65267254535038 0.65267254535038 0.34008760786334 15.999 > 49 53 O 0.18035806350723 0.18035806350723 0.66535561202065 15.999 > 53 54 O 0.68035806350724 0.18035806350723 0.66535561202065 15.999 > 53 55 O 0.18035806350723 0.68035806350724 0.66535561202065 15.999 > 53 56 O 0.68035806350724 0.68035806350724 0.66535561202065 15.999 > 53 57 O 0.31964193649277 0.31964193649277 0.16535561202065 15.999 > 57 58 O 0.81964193649276 0.31964193649277 0.16535561202065 15.999 > 57 59 O 0.31964193649277 0.81964193649276 0.16535561202065 15.999 > 57 60 O 0.81964193649276 0.81964193649276 0.16535561202065 15.999 > 57 61 O 0.34732745464962 0.34732745464962 0.84008760786334 15.999 > 61 62 O 0.84732745464962 0.34732745464962 0.84008760786334 15.999 > 61 63 O 0.34732745464962 0.84732745464962 0.84008760786334 15.999 > 61 64 O 0.84732745464962 0.84732745464962 0.84008760786334 15.999 > 61 65 O 0.33333333333333 0.16666666666667 0.98297879344562 15.999 > 65 66 O 0.83333333333333 0.16666666666667 0.98297879344562 15.999 > 65 67 O 0.33333333333333 0.66666666666667 0.98297879344562 15.999 > 65 68 O 0.83333333333333 0.66666666666667 0.98297879344562 15.999 > 65 69 O 0.33333333333333 0.16666666666667 0.48297879344562 15.999 > 69 70 O 0.83333333333333 0.16666666666667 0.48297879344562 15.999 > 69 71 O 0.33333333333333 0.66666666666667 0.48297879344562 15.999 > 69 72 O 0.83333333333333 0.66666666666667 0.48297879344562 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.52641803843512 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.52641803843512 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.52641803843512 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.52641803843512 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.02641803843512 15.999 > 77 78 O 0.50000000000000 0.00000000000000 0.02641803843512 15.999 > 77 79 O 0.00000000000000 0.50000000000000 0.02641803843512 15.999 > 77 80 O 0.50000000000000 0.50000000000000 0.02641803843512 15.999 > 77 81 O 0.00000000000000 0.34732745464962 0.34008760786334 15.999 > 81 82 O 0.50000000000000 0.34732745464962 0.34008760786334 15.999 > 81 83 O 0.00000000000000 0.84732745464962 0.34008760786334 15.999 > 81 84 O 0.50000000000000 0.84732745464962 0.34008760786334 15.999 > 81 85 O 0.00000000000000 0.31964193649277 0.66535561202065 15.999 > 85 86 O 0.50000000000000 0.31964193649277 0.66535561202065 15.999 > 85 87 O 0.00000000000000 0.81964193649276 0.66535561202065 15.999 > 85 88 O 0.50000000000000 0.81964193649276 0.66535561202065 15.999 > 85 89 O 0.15267254535038 0.00000000000000 0.84008760786334 15.999 > 89 90 O 0.65267254535038 0.00000000000000 0.84008760786334 15.999 > 89 91 O 0.15267254535038 0.50000000000000 0.84008760786334 15.999 > 89 92 O 0.65267254535038 0.50000000000000 0.84008760786334 15.999 > 89 93 O 0.00000000000000 0.18035806350723 0.16535561202065 15.999 > 93 94 O 0.50000000000000 0.18035806350723 0.16535561202065 15.999 > 93 95 O 0.00000000000000 0.68035806350724 0.16535561202065 15.999 > 93 96 O 0.50000000000000 0.68035806350724 0.16535561202065 15.999 > 93 97 O 0.00000000000000 0.15267254535038 0.84008760786334 15.999 > 97 98 O 0.50000000000000 0.15267254535038 0.84008760786334 15.999 > 97 99 O 0.00000000000000 0.65267254535038 0.84008760786334 15.999 > 97 100 O 0.50000000000000 0.65267254535038 0.84008760786334 15.999 > 97 101 O 0.18035806350723 0.00000000000000 0.16535561202065 15.999 > 101 102 O 0.68035806350724 0.00000000000000 0.16535561202065 15.999 > 101 103 O 0.18035806350723 0.50000000000000 0.16535561202065 15.999 > 101 104 O 0.68035806350724 0.50000000000000 0.16535561202065 15.999 > 101 105 O 0.16666666666667 0.33333333333333 0.48297879344562 15.999 > 105 106 O 0.66666666666667 0.33333333333333 0.48297879344562 15.999 > 105 107 O 0.16666666666667 0.83333333333333 0.48297879344562 15.999 > 105 108 O 0.66666666666667 0.83333333333333 0.48297879344562 15.999 > 105 109 O 0.16666666666667 0.33333333333333 0.98297879344562 15.999 > 109 110 O 0.66666666666667 0.33333333333333 0.98297879344562 15.999 > 109 111 O 0.16666666666667 0.83333333333333 0.98297879344562 15.999 > 109 112 O 0.66666666666667 0.83333333333333 0.98297879344562 15.999 > 109 113 O 0.31964193649277 0.00000000000000 0.66535561202065 15.999 > 113 114 O 0.81964193649276 0.00000000000000 0.66535561202065 15.999 > 113 115 O 0.31964193649277 0.50000000000000 0.66535561202065 15.999 > 113 116 O 0.81964193649276 0.50000000000000 0.66535561202065 15.999 > 113 117 O 0.34732745464962 0.00000000000000 0.34008760786334 15.999 > 117 118 O 0.84732745464962 0.00000000000000 0.34008760786334 15.999 > 117 119 O 0.34732745464962 0.50000000000000 0.34008760786334 15.999 > 117 120 O 0.84732745464962 0.50000000000000 0.34008760786334 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2367809 -0.0000000 0.0000000 0.0000000 4.2367809 0.0000000 0.0000000 0.0000000 4.2622342 -------------------------- Born effective charges -------------------------- 1 Ho 3.9053890 -0.1162978 -0.0000000 0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 2 Ho 3.8204291 0.0000000 -0.0000000 0.0000000 3.8204291 0.0000000 0.0000000 -0.0000000 3.4824123 3 Ho 3.8204291 0.0000000 -0.0000000 0.0000000 3.8204291 0.0000000 0.0000000 -0.0000000 3.4824123 4 Ho 3.9053890 0.1162978 -0.0000000 -0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 5 Ho 3.9053890 -0.1162978 -0.0000000 0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 6 Ho 3.9053890 0.1162978 -0.0000000 -0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 7 Ga 2.8695463 -0.0036295 -0.0854606 -0.0036295 2.8653553 -0.1480220 -0.0413005 -0.0715346 3.4432572 8 Ga 2.8695463 -0.0036295 0.0854606 -0.0036295 2.8653553 0.1480220 0.0413005 0.0715346 3.4432572 9 Ga 2.8695463 0.0036295 -0.0854606 0.0036295 2.8653553 0.1480220 -0.0413005 0.0715346 3.4432572 10 Ga 2.8695463 0.0036295 0.0854606 0.0036295 2.8653553 -0.1480220 0.0413005 -0.0715346 3.4432572 11 Ga 2.8632598 -0.0000000 -0.1709211 0.0000000 2.8716418 0.0000000 -0.0826010 -0.0000000 3.4432572 12 Ga 2.8632598 -0.0000000 0.1709211 0.0000000 2.8716418 0.0000000 0.0826010 0.0000000 3.4432572 13 O -2.3210699 0.0328024 -0.0950914 0.0328024 -2.2831930 -0.1647032 -0.0663949 -0.1149994 -2.3836180 14 O -2.2056594 -0.0127582 -0.0893564 -0.0127582 -2.2203913 -0.1547698 -0.0548083 -0.0949308 -2.5067149 15 O -2.2056594 -0.0127582 0.0893564 -0.0127582 -2.2203913 0.1547698 0.0548083 0.0949308 -2.5067149 16 O -2.3210699 0.0328024 0.0950914 0.0328024 -2.2831930 0.1647032 0.0663949 0.1149994 -2.3836180 17 O -2.2329631 0.0042789 -0.0000000 -0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 18 O -2.2329631 -0.0042789 -0.0000000 0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 19 O -2.2221630 0.0000000 -0.0000000 0.0000000 -2.2221630 0.0000000 0.0000000 -0.0000000 -2.0362230 20 O -2.2221630 0.0000000 -0.0000000 0.0000000 -2.2221630 0.0000000 0.0000000 -0.0000000 -2.0362230 21 O -2.3210699 -0.0328024 -0.0950914 -0.0328024 -2.2831930 0.1647032 -0.0663949 0.1149994 -2.3836180 22 O -2.2056594 0.0127582 -0.0893564 0.0127582 -2.2203913 0.1547698 -0.0548083 0.0949308 -2.5067149 23 O -2.2642545 0.0000000 -0.1901829 0.0000000 -2.3400084 0.0000000 -0.1327898 -0.0000000 -2.3836180 24 O -2.2056594 0.0127582 0.0893564 0.0127582 -2.2203913 -0.1547698 0.0548083 -0.0949308 -2.5067149 25 O -2.3210699 -0.0328024 0.0950914 -0.0328024 -2.2831930 -0.1647032 0.0663949 -0.1149994 -2.3836180 26 O -2.2277572 -0.0000000 -0.1787127 0.0000000 -2.1982935 0.0000000 -0.1096166 -0.0000000 -2.5067149 27 O -2.2329631 0.0042789 -0.0000000 -0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 28 O -2.2329631 -0.0042789 -0.0000000 0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 29 O -2.2277572 -0.0000000 0.1787127 0.0000000 -2.1982935 0.0000000 0.1096166 0.0000000 -2.5067149 30 O -2.2642545 0.0000000 0.1901829 0.0000000 -2.3400084 0.0000000 0.1327898 0.0000000 -2.3836180 ---------------------------------------------------------------------------- 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 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (xy) 0.00000004 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:25:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:25:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.011204228526360 0.000000000000000 0.000000000000000 b -3.005602114263180 5.205855569240265 0.000000000000000 c 0.000000000000000 0.000000000000000 11.577154589999999 Atomic positions (fractional): 1 Ho 0.66666666666667 0.33333333333333 0.77086451662116 164.930 2 Ho 0.00000000000000 0.00000000000000 0.72831891551913 164.930 3 Ho 0.00000000000000 0.00000000000000 0.22831891551913 164.930 4 Ho 0.66666666666667 0.33333333333333 0.27086451662116 164.930 5 Ho 0.33333333333333 0.66666666666667 0.27086451662116 164.930 6 Ho 0.33333333333333 0.66666666666667 0.77086451662116 164.930 7 Ga 0.33416763796807 0.33416763796807 0.50332063875341 69.723 8 Ga 0.66583236203193 0.66583236203193 0.00332063875341 69.723 9 Ga 0.00000000000000 0.66583236203193 0.50332063875341 69.723 10 Ga 0.00000000000000 0.33416763796807 0.00332063875341 69.723 11 Ga 0.33416763796807 0.00000000000000 0.00332063875341 69.723 12 Ga 0.66583236203193 0.00000000000000 0.50332063875341 69.723 13 O 0.30534509070075 0.30534509070075 0.34008760786334 15.999 14 O 0.36071612701447 0.36071612701447 0.66535561202065 15.999 15 O 0.63928387298553 0.63928387298553 0.16535561202065 15.999 16 O 0.69465490929925 0.69465490929925 0.84008760786334 15.999 17 O 0.66666666666667 0.33333333333333 0.98297879344562 15.999 18 O 0.66666666666667 0.33333333333333 0.48297879344562 15.999 19 O 0.00000000000000 0.00000000000000 0.52641803843512 15.999 20 O 0.00000000000000 0.00000000000000 0.02641803843512 15.999 21 O 0.00000000000000 0.69465490929925 0.34008760786334 15.999 22 O 0.00000000000000 0.63928387298553 0.66535561202065 15.999 23 O 0.30534509070075 0.00000000000000 0.84008760786334 15.999 24 O 0.00000000000000 0.36071612701447 0.16535561202065 15.999 25 O 0.00000000000000 0.30534509070075 0.84008760786334 15.999 26 O 0.36071612701447 0.00000000000000 0.16535561202065 15.999 27 O 0.33333333333333 0.66666666666667 0.48297879344562 15.999 28 O 0.33333333333333 0.66666666666667 0.98297879344562 15.999 29 O 0.63928387298553 0.00000000000000 0.66535561202065 15.999 30 O 0.69465490929925 0.00000000000000 0.34008760786334 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.022408457052720 0.000000000000000 0.000000000000000 b -6.011204228526360 10.411711138480531 0.000000000000000 c 0.000000000000000 0.000000000000000 11.577154589999999 Atomic positions (fractional): 1 Ho 0.33333333333333 0.16666666666667 0.77086451662116 164.930 > 1 2 Ho 0.83333333333333 0.16666666666667 0.77086451662116 164.930 > 1 3 Ho 0.33333333333333 0.66666666666667 0.77086451662116 164.930 > 1 4 Ho 0.83333333333333 0.66666666666667 0.77086451662116 164.930 > 1 5 Ho 0.00000000000000 0.00000000000000 0.72831891551913 164.930 > 5 6 Ho 0.50000000000000 0.00000000000000 0.72831891551913 164.930 > 5 7 Ho 0.00000000000000 0.50000000000000 0.72831891551913 164.930 > 5 8 Ho 0.50000000000000 0.50000000000000 0.72831891551913 164.930 > 5 9 Ho 0.00000000000000 0.00000000000000 0.22831891551913 164.930 > 9 10 Ho 0.50000000000000 0.00000000000000 0.22831891551913 164.930 > 9 11 Ho 0.00000000000000 0.50000000000000 0.22831891551913 164.930 > 9 12 Ho 0.50000000000000 0.50000000000000 0.22831891551913 164.930 > 9 13 Ho 0.33333333333333 0.16666666666667 0.27086451662116 164.930 > 13 14 Ho 0.83333333333333 0.16666666666667 0.27086451662116 164.930 > 13 15 Ho 0.33333333333333 0.66666666666667 0.27086451662116 164.930 > 13 16 Ho 0.83333333333333 0.66666666666667 0.27086451662116 164.930 > 13 17 Ho 0.16666666666667 0.33333333333333 0.27086451662116 164.930 > 17 18 Ho 0.66666666666667 0.33333333333333 0.27086451662116 164.930 > 17 19 Ho 0.16666666666667 0.83333333333333 0.27086451662116 164.930 > 17 20 Ho 0.66666666666667 0.83333333333333 0.27086451662116 164.930 > 17 21 Ho 0.16666666666667 0.33333333333333 0.77086451662116 164.930 > 21 22 Ho 0.66666666666667 0.33333333333333 0.77086451662116 164.930 > 21 23 Ho 0.16666666666667 0.83333333333333 0.77086451662116 164.930 > 21 24 Ho 0.66666666666667 0.83333333333333 0.77086451662116 164.930 > 21 25 Ga 0.16708381898403 0.16708381898403 0.50332063875341 69.723 > 25 26 Ga 0.66708381898403 0.16708381898403 0.50332063875341 69.723 > 25 27 Ga 0.16708381898403 0.66708381898403 0.50332063875341 69.723 > 25 28 Ga 0.66708381898403 0.66708381898403 0.50332063875341 69.723 > 25 29 Ga 0.33291618101597 0.33291618101597 0.00332063875341 69.723 > 29 30 Ga 0.83291618101597 0.33291618101597 0.00332063875341 69.723 > 29 31 Ga 0.33291618101597 0.83291618101597 0.00332063875341 69.723 > 29 32 Ga 0.83291618101597 0.83291618101597 0.00332063875341 69.723 > 29 33 Ga 0.00000000000000 0.33291618101597 0.50332063875341 69.723 > 33 34 Ga 0.50000000000000 0.33291618101597 0.50332063875341 69.723 > 33 35 Ga 0.00000000000000 0.83291618101597 0.50332063875341 69.723 > 33 36 Ga 0.50000000000000 0.83291618101597 0.50332063875341 69.723 > 33 37 Ga 0.00000000000000 0.16708381898403 0.00332063875341 69.723 > 37 38 Ga 0.50000000000000 0.16708381898403 0.00332063875341 69.723 > 37 39 Ga 0.00000000000000 0.66708381898403 0.00332063875341 69.723 > 37 40 Ga 0.50000000000000 0.66708381898403 0.00332063875341 69.723 > 37 41 Ga 0.16708381898403 0.00000000000000 0.00332063875341 69.723 > 41 42 Ga 0.66708381898403 0.00000000000000 0.00332063875341 69.723 > 41 43 Ga 0.16708381898403 0.50000000000000 0.00332063875341 69.723 > 41 44 Ga 0.66708381898403 0.50000000000000 0.00332063875341 69.723 > 41 45 Ga 0.33291618101597 0.00000000000000 0.50332063875341 69.723 > 45 46 Ga 0.83291618101597 0.00000000000000 0.50332063875341 69.723 > 45 47 Ga 0.33291618101597 0.50000000000000 0.50332063875341 69.723 > 45 48 Ga 0.83291618101597 0.50000000000000 0.50332063875341 69.723 > 45 49 O 0.15267254535038 0.15267254535038 0.34008760786334 15.999 > 49 50 O 0.65267254535038 0.15267254535038 0.34008760786334 15.999 > 49 51 O 0.15267254535038 0.65267254535038 0.34008760786334 15.999 > 49 52 O 0.65267254535038 0.65267254535038 0.34008760786334 15.999 > 49 53 O 0.18035806350723 0.18035806350723 0.66535561202065 15.999 > 53 54 O 0.68035806350724 0.18035806350723 0.66535561202065 15.999 > 53 55 O 0.18035806350723 0.68035806350724 0.66535561202065 15.999 > 53 56 O 0.68035806350724 0.68035806350724 0.66535561202065 15.999 > 53 57 O 0.31964193649277 0.31964193649277 0.16535561202065 15.999 > 57 58 O 0.81964193649276 0.31964193649277 0.16535561202065 15.999 > 57 59 O 0.31964193649277 0.81964193649276 0.16535561202065 15.999 > 57 60 O 0.81964193649276 0.81964193649276 0.16535561202065 15.999 > 57 61 O 0.34732745464962 0.34732745464962 0.84008760786334 15.999 > 61 62 O 0.84732745464962 0.34732745464962 0.84008760786334 15.999 > 61 63 O 0.34732745464962 0.84732745464962 0.84008760786334 15.999 > 61 64 O 0.84732745464962 0.84732745464962 0.84008760786334 15.999 > 61 65 O 0.33333333333333 0.16666666666667 0.98297879344562 15.999 > 65 66 O 0.83333333333333 0.16666666666667 0.98297879344562 15.999 > 65 67 O 0.33333333333333 0.66666666666667 0.98297879344562 15.999 > 65 68 O 0.83333333333333 0.66666666666667 0.98297879344562 15.999 > 65 69 O 0.33333333333333 0.16666666666667 0.48297879344562 15.999 > 69 70 O 0.83333333333333 0.16666666666667 0.48297879344562 15.999 > 69 71 O 0.33333333333333 0.66666666666667 0.48297879344562 15.999 > 69 72 O 0.83333333333333 0.66666666666667 0.48297879344562 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.52641803843512 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.52641803843512 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.52641803843512 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.52641803843512 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.02641803843512 15.999 > 77 78 O 0.50000000000000 0.00000000000000 0.02641803843512 15.999 > 77 79 O 0.00000000000000 0.50000000000000 0.02641803843512 15.999 > 77 80 O 0.50000000000000 0.50000000000000 0.02641803843512 15.999 > 77 81 O 0.00000000000000 0.34732745464962 0.34008760786334 15.999 > 81 82 O 0.50000000000000 0.34732745464962 0.34008760786334 15.999 > 81 83 O 0.00000000000000 0.84732745464962 0.34008760786334 15.999 > 81 84 O 0.50000000000000 0.84732745464962 0.34008760786334 15.999 > 81 85 O 0.00000000000000 0.31964193649277 0.66535561202065 15.999 > 85 86 O 0.50000000000000 0.31964193649277 0.66535561202065 15.999 > 85 87 O 0.00000000000000 0.81964193649276 0.66535561202065 15.999 > 85 88 O 0.50000000000000 0.81964193649276 0.66535561202065 15.999 > 85 89 O 0.15267254535038 0.00000000000000 0.84008760786334 15.999 > 89 90 O 0.65267254535038 0.00000000000000 0.84008760786334 15.999 > 89 91 O 0.15267254535038 0.50000000000000 0.84008760786334 15.999 > 89 92 O 0.65267254535038 0.50000000000000 0.84008760786334 15.999 > 89 93 O 0.00000000000000 0.18035806350723 0.16535561202065 15.999 > 93 94 O 0.50000000000000 0.18035806350723 0.16535561202065 15.999 > 93 95 O 0.00000000000000 0.68035806350724 0.16535561202065 15.999 > 93 96 O 0.50000000000000 0.68035806350724 0.16535561202065 15.999 > 93 97 O 0.00000000000000 0.15267254535038 0.84008760786334 15.999 > 97 98 O 0.50000000000000 0.15267254535038 0.84008760786334 15.999 > 97 99 O 0.00000000000000 0.65267254535038 0.84008760786334 15.999 > 97 100 O 0.50000000000000 0.65267254535038 0.84008760786334 15.999 > 97 101 O 0.18035806350723 0.00000000000000 0.16535561202065 15.999 > 101 102 O 0.68035806350724 0.00000000000000 0.16535561202065 15.999 > 101 103 O 0.18035806350723 0.50000000000000 0.16535561202065 15.999 > 101 104 O 0.68035806350724 0.50000000000000 0.16535561202065 15.999 > 101 105 O 0.16666666666667 0.33333333333333 0.48297879344562 15.999 > 105 106 O 0.66666666666667 0.33333333333333 0.48297879344562 15.999 > 105 107 O 0.16666666666667 0.83333333333333 0.48297879344562 15.999 > 105 108 O 0.66666666666667 0.83333333333333 0.48297879344562 15.999 > 105 109 O 0.16666666666667 0.33333333333333 0.98297879344562 15.999 > 109 110 O 0.66666666666667 0.33333333333333 0.98297879344562 15.999 > 109 111 O 0.16666666666667 0.83333333333333 0.98297879344562 15.999 > 109 112 O 0.66666666666667 0.83333333333333 0.98297879344562 15.999 > 109 113 O 0.31964193649277 0.00000000000000 0.66535561202065 15.999 > 113 114 O 0.81964193649276 0.00000000000000 0.66535561202065 15.999 > 113 115 O 0.31964193649277 0.50000000000000 0.66535561202065 15.999 > 113 116 O 0.81964193649276 0.50000000000000 0.66535561202065 15.999 > 113 117 O 0.34732745464962 0.00000000000000 0.34008760786334 15.999 > 117 118 O 0.84732745464962 0.00000000000000 0.34008760786334 15.999 > 117 119 O 0.34732745464962 0.50000000000000 0.34008760786334 15.999 > 117 120 O 0.84732745464962 0.50000000000000 0.34008760786334 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2367809 -0.0000000 0.0000000 0.0000000 4.2367809 0.0000000 0.0000000 0.0000000 4.2622342 -------------------------- Born effective charges -------------------------- 1 Ho 3.9053890 -0.1162978 -0.0000000 0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 2 Ho 3.8204291 0.0000000 -0.0000000 0.0000000 3.8204291 0.0000000 0.0000000 -0.0000000 3.4824123 3 Ho 3.8204291 0.0000000 -0.0000000 0.0000000 3.8204291 0.0000000 0.0000000 -0.0000000 3.4824123 4 Ho 3.9053890 0.1162978 -0.0000000 -0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 5 Ho 3.9053890 -0.1162978 -0.0000000 0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 6 Ho 3.9053890 0.1162978 -0.0000000 -0.1162978 3.9053890 0.0000000 0.0000000 -0.0000000 3.4194434 7 Ga 2.8695463 -0.0036295 -0.0854606 -0.0036295 2.8653553 -0.1480220 -0.0413005 -0.0715346 3.4432572 8 Ga 2.8695463 -0.0036295 0.0854606 -0.0036295 2.8653553 0.1480220 0.0413005 0.0715346 3.4432572 9 Ga 2.8695463 0.0036295 -0.0854606 0.0036295 2.8653553 0.1480220 -0.0413005 0.0715346 3.4432572 10 Ga 2.8695463 0.0036295 0.0854606 0.0036295 2.8653553 -0.1480220 0.0413005 -0.0715346 3.4432572 11 Ga 2.8632598 -0.0000000 -0.1709211 0.0000000 2.8716418 0.0000000 -0.0826010 -0.0000000 3.4432572 12 Ga 2.8632598 -0.0000000 0.1709211 0.0000000 2.8716418 0.0000000 0.0826010 0.0000000 3.4432572 13 O -2.3210699 0.0328024 -0.0950914 0.0328024 -2.2831930 -0.1647032 -0.0663949 -0.1149994 -2.3836180 14 O -2.2056594 -0.0127582 -0.0893564 -0.0127582 -2.2203913 -0.1547698 -0.0548083 -0.0949308 -2.5067149 15 O -2.2056594 -0.0127582 0.0893564 -0.0127582 -2.2203913 0.1547698 0.0548083 0.0949308 -2.5067149 16 O -2.3210699 0.0328024 0.0950914 0.0328024 -2.2831930 0.1647032 0.0663949 0.1149994 -2.3836180 17 O -2.2329631 0.0042789 -0.0000000 -0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 18 O -2.2329631 -0.0042789 -0.0000000 0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 19 O -2.2221630 0.0000000 -0.0000000 0.0000000 -2.2221630 0.0000000 0.0000000 -0.0000000 -2.0362230 20 O -2.2221630 0.0000000 -0.0000000 0.0000000 -2.2221630 0.0000000 0.0000000 -0.0000000 -2.0362230 21 O -2.3210699 -0.0328024 -0.0950914 -0.0328024 -2.2831930 0.1647032 -0.0663949 0.1149994 -2.3836180 22 O -2.2056594 0.0127582 -0.0893564 0.0127582 -2.2203913 0.1547698 -0.0548083 0.0949308 -2.5067149 23 O -2.2642545 0.0000000 -0.1901829 0.0000000 -2.3400084 0.0000000 -0.1327898 -0.0000000 -2.3836180 24 O -2.2056594 0.0127582 0.0893564 0.0127582 -2.2203913 -0.1547698 0.0548083 -0.0949308 -2.5067149 25 O -2.3210699 -0.0328024 0.0950914 -0.0328024 -2.2831930 -0.1647032 0.0663949 -0.1149994 -2.3836180 26 O -2.2277572 -0.0000000 -0.1787127 0.0000000 -2.1982935 0.0000000 -0.1096166 -0.0000000 -2.5067149 27 O -2.2329631 0.0042789 -0.0000000 -0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 28 O -2.2329631 -0.0042789 -0.0000000 0.0042789 -2.2329631 0.0000000 0.0000000 -0.0000000 -1.9719244 29 O -2.2277572 -0.0000000 0.1787127 0.0000000 -2.1982935 0.0000000 0.1096166 0.0000000 -2.5067149 30 O -2.2642545 0.0000000 0.1901829 0.0000000 -2.3400084 0.0000000 0.1327898 0.0000000 -2.3836180 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] 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: 0.58, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.279 ( -0.000 -0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 -0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 -0.000) 0.000 3.372 ( 0.000 0.000 -0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 -0.000) 0.000 3.775 ( 0.000 -0.000 -0.000) 0.000 4.521 ( -0.000 -0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 -0.000 0.000) 0.000 4.861 ( 0.000 -0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 -0.000) 0.000 4.957 ( -0.000 -0.000 0.000) 0.000 5.005 ( 0.000 -0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 -0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.619 ( 0.000 -0.000 0.000) 0.000 5.619 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 -0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 -0.000) 0.000 7.396 ( 0.000 -0.000 -0.000) 0.000 7.401 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 -0.000 -0.000) 0.000 7.678 ( 0.000 0.000 -0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 -0.000 -0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 8.876 ( -0.000 -0.000 0.000) 0.000 9.109 ( -0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 -0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.657 ( 0.000 -0.000 -0.000) 0.000 9.657 ( 0.000 0.000 -0.000) 0.000 9.681 ( 0.000 -0.000 0.000) 0.000 9.681 ( 0.000 0.000 0.000) 0.000 9.930 ( -0.000 -0.000 -0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.116 ( 0.000 -0.000 -0.000) 0.000 10.529 ( 0.000 0.000 0.000) 0.000 10.529 ( 0.000 0.000 -0.000) 0.000 10.780 ( 0.000 0.000 -0.000) 0.000 10.780 ( 0.000 -0.000 0.000) 0.000 11.287 ( -0.000 -0.000 0.000) 0.000 11.287 ( 0.000 -0.000 -0.000) 0.000 11.527 ( 0.000 -0.000 -0.000) 0.000 11.593 ( -0.000 0.000 0.000) 0.000 11.720 ( -0.000 0.000 0.000) 0.000 12.030 ( 0.000 -0.000 0.000) 0.000 12.030 ( 0.000 -0.000 0.000) 0.000 12.095 ( 0.000 -0.000 0.000) 0.000 12.095 ( 0.000 -0.000 -0.000) 0.000 12.365 ( 0.000 -0.000 -0.000) 0.000 12.365 ( 0.000 -0.000 -0.000) 0.000 12.808 ( 0.000 -0.000 0.000) 0.000 13.202 ( -0.000 0.000 -0.000) 0.000 13.202 ( 0.000 -0.000 -0.000) 0.000 13.468 ( 0.000 -0.000 -0.000) 0.000 13.740 ( 0.000 0.000 0.000) 0.000 13.740 ( 0.000 -0.000 0.000) 0.000 14.179 ( 0.000 0.000 -0.000) 0.000 14.879 ( 0.000 -0.000 0.000) 0.000 15.137 ( -0.000 0.000 -0.000) 0.000 15.137 ( 0.000 0.000 0.000) 0.000 15.140 ( -0.000 -0.000 -0.000) 0.000 15.140 ( 0.000 -0.000 0.000) 0.000 15.472 ( 0.000 -0.000 0.000) 0.000 15.756 ( 0.000 0.000 0.000) 0.000 15.909 ( -0.000 -0.000 0.000) 0.000 17.535 ( -0.000 0.000 0.000) 0.000 17.555 ( 0.000 -0.000 0.000) 0.000 17.555 ( 0.000 0.000 0.000) 0.000 17.589 ( -0.000 -0.000 0.000) 0.000 17.589 ( -0.000 0.000 0.000) 0.000 18.166 ( -0.000 -0.000 0.000) 0.000 18.166 ( 0.000 -0.000 -0.000) 0.000 18.207 ( 0.000 0.000 -0.000) 0.000 18.207 ( -0.000 0.000 0.000) 0.000 19.367 ( -0.000 0.000 0.000) 0.000 19.405 ( -0.000 0.000 0.000) 0.000 20.973 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 25.964 14.990 0.000) 29.980 0.697 ( 30.919 17.851 0.000) 35.702 1.062 ( 47.084 27.184 0.000) 54.368 2.337 ( 5.162 2.980 0.000) 5.960 2.351 ( 5.992 3.460 0.000) 6.919 2.602 ( 1.662 0.960 0.000) 1.919 2.895 ( 0.332 0.192 0.000) 0.383 3.074 ( 2.612 1.508 0.000) 3.017 3.412 ( 3.036 1.753 0.000) 3.506 3.419 ( 4.168 2.406 0.000) 4.812 3.603 ( -2.438 -1.408 0.000) 2.815 3.802 ( 2.357 1.361 0.000) 2.722 3.954 ( 13.493 7.790 0.000) 15.580 4.565 ( -19.472 -11.242 0.000) 22.485 4.580 ( -11.851 -6.842 0.000) 13.684 4.600 ( -4.844 -2.797 0.000) 5.593 4.679 ( -4.255 -2.457 0.000) 4.914 4.683 ( -9.081 -5.243 0.000) 10.486 4.955 ( 1.797 1.038 0.000) 2.075 4.993 ( 4.844 2.797 0.000) 5.594 5.183 ( 0.425 0.245 0.000) 0.491 5.190 ( 2.403 1.387 0.000) 2.775 5.467 ( -6.922 -3.997 0.000) 7.993 5.530 ( -4.148 -2.395 0.000) 4.789 5.550 ( -5.459 -3.152 0.000) 6.304 5.567 ( 0.349 0.201 0.000) 0.403 6.053 ( 3.705 2.139 0.000) 4.278 6.729 ( 0.763 0.440 0.000) 0.881 7.313 ( -1.304 -0.753 0.000) 1.506 7.324 ( -1.678 -0.969 0.000) 1.938 7.365 ( -3.888 -2.245 0.000) 4.490 7.405 ( -0.818 -0.472 0.000) 0.945 7.474 ( -6.109 -3.527 0.000) 7.054 7.512 ( -6.189 -3.573 0.000) 7.146 7.767 ( 4.053 2.340 0.000) 4.680 7.791 ( 2.424 1.399 0.000) 2.798 8.064 ( 16.345 9.437 0.000) 18.873 8.948 ( 6.160 3.557 0.000) 7.113 9.094 ( -2.087 -1.205 0.000) 2.409 9.355 ( -4.667 -2.694 0.000) 5.389 9.406 ( -1.653 -0.955 0.000) 1.909 9.622 ( -2.779 -1.605 0.000) 3.209 9.690 ( -0.426 -0.246 0.000) 0.492 9.699 ( 3.032 1.750 0.000) 3.501 9.847 ( -5.911 -3.413 0.000) 6.825 10.074 ( -5.440 -3.141 0.000) 6.282 10.159 ( 3.700 2.136 0.000) 4.273 10.313 ( -13.482 -7.784 0.000) 15.568 10.552 ( -14.934 -8.622 0.000) 17.244 10.575 ( 4.655 2.687 0.000) 5.375 10.837 ( 4.761 2.748 0.000) 5.497 11.201 ( -6.820 -3.938 0.000) 7.875 11.228 ( -4.686 -2.706 0.000) 5.411 11.636 ( -6.442 -3.719 0.000) 7.438 11.768 ( 11.717 6.765 0.000) 13.530 11.856 ( 14.899 8.602 0.000) 17.204 11.909 ( 1.555 0.898 0.000) 1.796 12.044 ( 8.671 5.006 0.000) 10.013 12.050 ( -3.355 -1.937 0.000) 3.874 12.120 ( 1.990 1.149 0.000) 2.298 12.274 ( -1.533 -0.885 0.000) 1.771 12.363 ( 0.092 0.053 0.000) 0.107 12.778 ( -2.628 -1.517 0.000) 3.034 13.122 ( -6.048 -3.492 0.000) 6.984 13.213 ( 1.086 0.627 0.000) 1.254 13.480 ( 1.008 0.582 0.000) 1.163 13.679 ( -4.380 -2.529 0.000) 5.058 13.751 ( 0.973 0.562 0.000) 1.124 14.316 ( 10.768 6.217 0.000) 12.434 14.818 ( -5.325 -3.075 0.000) 6.149 14.978 ( -11.191 -6.461 0.000) 12.922 15.063 ( -5.972 -3.448 0.000) 6.895 15.092 ( -4.449 -2.569 0.000) 5.137 15.182 ( 3.760 2.171 0.000) 4.342 15.589 ( 7.295 4.212 0.000) 8.423 15.748 ( -0.909 -0.525 0.000) 1.050 15.906 ( -0.409 -0.236 0.000) 0.473 17.011 ( -4.877 -2.816 0.000) 5.632 17.540 ( 0.200 0.115 0.000) 0.231 17.562 ( 1.519 0.877 0.000) 1.754 17.581 ( -0.458 -0.264 0.000) 0.529 17.684 ( 7.471 4.313 0.000) 8.627 17.823 ( 1.824 1.053 0.000) 2.106 18.157 ( -0.164 -0.094 0.000) 0.189 18.177 ( 1.441 0.832 0.000) 1.664 18.235 ( 1.893 1.093 0.000) 2.185 18.258 ( 4.000 2.309 0.000) 4.618 19.347 ( -1.803 -1.041 0.000) 2.082 19.394 ( -1.097 -0.633 0.000) 1.266 20.865 ( -9.407 -5.431 0.000) 10.862 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 25.516 14.732 0.000) 29.464 1.352 ( 27.826 16.065 0.000) 32.131 2.075 ( 43.746 25.257 0.000) 50.513 2.503 ( 9.633 5.562 0.000) 11.124 2.515 ( 8.233 4.753 0.000) 9.507 2.655 ( 3.085 1.781 0.000) 3.562 2.902 ( 0.251 0.145 0.000) 0.290 3.166 ( 5.035 2.907 0.000) 5.814 3.490 ( 4.057 2.343 0.000) 4.685 3.541 ( 2.740 1.582 0.000) 3.164 3.569 ( 3.190 1.842 0.000) 3.683 3.871 ( 3.587 2.071 0.000) 4.142 4.096 ( -21.892 -12.639 0.000) 25.278 4.182 ( -18.652 -10.769 0.000) 21.537 4.290 ( 9.728 5.616 0.000) 11.233 4.348 ( -13.516 -7.803 0.000) 15.607 4.509 ( -0.723 -0.417 0.000) 0.834 4.788 ( 0.220 0.127 0.000) 0.254 4.980 ( -9.180 -5.300 0.000) 10.600 5.023 ( -9.586 -5.535 0.000) 11.069 5.062 ( 6.626 3.826 0.000) 7.651 5.108 ( 1.606 0.927 0.000) 1.854 5.266 ( -11.925 -6.885 0.000) 13.769 5.354 ( -10.116 -5.841 0.000) 11.681 5.488 ( -1.320 -0.762 0.000) 1.525 5.720 ( 9.273 5.354 0.000) 10.707 6.156 ( 5.656 3.265 0.000) 6.531 6.727 ( -1.267 -0.732 0.000) 1.463 7.161 ( -10.947 -6.320 0.000) 12.641 7.208 ( -6.471 -3.736 0.000) 7.472 7.282 ( -3.983 -2.300 0.000) 4.600 7.347 ( -4.305 -2.485 0.000) 4.971 7.422 ( -0.583 -0.336 0.000) 0.673 7.503 ( 3.307 1.909 0.000) 3.818 7.792 ( -1.892 -1.092 0.000) 2.184 7.872 ( 4.839 2.794 0.000) 5.588 8.451 ( 18.310 10.571 0.000) 21.142 8.996 ( -5.576 -3.219 0.000) 6.439 9.125 ( 8.806 5.084 0.000) 10.168 9.310 ( 0.528 0.305 0.000) 0.610 9.384 ( 0.471 0.272 0.000) 0.544 9.532 ( -5.025 -2.901 0.000) 5.802 9.643 ( -3.967 -2.290 0.000) 4.581 9.722 ( -4.836 -2.792 0.000) 5.584 9.770 ( 3.305 1.908 0.000) 3.817 9.854 ( -11.821 -6.825 0.000) 13.649 10.089 ( -7.197 -4.155 0.000) 8.310 10.247 ( -12.029 -6.945 0.000) 13.890 10.262 ( 4.893 2.825 0.000) 5.650 10.743 ( 9.643 5.568 0.000) 11.135 10.943 ( 2.143 1.237 0.000) 2.474 11.024 ( -8.398 -4.849 0.000) 9.697 11.151 ( 1.453 0.839 0.000) 1.678 11.454 ( -9.659 -5.577 0.000) 11.153 11.745 ( -7.535 -4.350 0.000) 8.701 11.861 ( -5.935 -3.427 0.000) 6.854 12.003 ( -1.143 -0.660 0.000) 1.320 12.058 ( 2.812 1.624 0.000) 3.247 12.203 ( 3.170 1.830 0.000) 3.660 12.232 ( -1.691 -0.976 0.000) 1.952 12.436 ( 9.470 5.467 0.000) 10.935 12.526 ( 25.583 14.770 0.000) 29.540 12.701 ( -4.028 -2.325 0.000) 4.651 12.941 ( -9.788 -5.651 0.000) 11.302 13.253 ( 2.507 1.447 0.000) 2.895 13.506 ( 1.152 0.665 0.000) 1.330 13.583 ( -3.799 -2.193 0.000) 4.387 13.782 ( 1.815 1.048 0.000) 2.096 14.582 ( 11.386 6.574 0.000) 13.147 14.654 ( -9.100 -5.254 0.000) 10.508 14.715 ( -11.980 -6.917 0.000) 13.834 14.894 ( -8.800 -5.080 0.000) 10.161 14.959 ( -6.683 -3.858 0.000) 7.717 15.275 ( 3.831 2.212 0.000) 4.424 15.707 ( -2.820 -1.628 0.000) 3.257 15.737 ( 5.973 3.449 0.000) 6.897 15.886 ( -1.428 -0.824 0.000) 1.649 16.865 ( -8.053 -4.650 0.000) 9.299 17.536 ( -0.418 -0.241 0.000) 0.482 17.575 ( -0.261 -0.151 0.000) 0.301 17.619 ( 3.303 1.907 0.000) 3.814 17.870 ( 2.218 1.280 0.000) 2.561 17.899 ( 11.232 6.485 0.000) 12.970 18.177 ( 2.212 1.277 0.000) 2.554 18.235 ( 3.659 2.112 0.000) 4.225 18.281 ( 2.447 1.413 0.000) 2.826 18.371 ( 6.100 3.522 0.000) 7.043 19.287 ( -3.695 -2.133 0.000) 4.267 19.347 ( -3.287 -1.898 0.000) 3.796 20.576 ( -16.119 -9.306 0.000) 18.613 ======================= Grid point 3 (4/42) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 24.779 14.306 0.000) 28.612 1.919 ( 23.045 13.305 0.000) 26.610 2.695 ( 7.040 4.065 0.000) 8.129 2.738 ( 4.831 2.789 0.000) 5.578 2.750 ( 12.768 7.371 0.000) 14.743 2.892 ( 1.463 0.844 0.000) 1.689 2.971 ( 31.071 17.939 0.000) 35.877 3.247 ( 1.335 0.771 0.000) 1.542 3.539 ( 2.249 1.299 0.000) 2.597 3.579 ( -0.342 -0.198 0.000) 0.395 3.619 ( -18.601 -10.739 0.000) 21.479 3.756 ( 8.372 4.834 0.000) 9.667 3.802 ( -10.736 -6.198 0.000) 12.397 3.908 ( -3.911 -2.258 0.000) 4.516 4.117 ( -3.121 -1.802 0.000) 3.603 4.150 ( -11.295 -6.521 0.000) 13.043 4.647 ( -10.646 -6.146 0.000) 12.292 4.702 ( -6.588 -3.804 0.000) 7.607 4.720 ( -10.141 -5.855 0.000) 11.709 4.906 ( 10.697 6.176 0.000) 12.352 4.990 ( -9.431 -5.445 0.000) 10.890 5.051 ( -13.632 -7.870 0.000) 15.740 5.201 ( 7.100 4.099 0.000) 8.198 5.391 ( -8.177 -4.721 0.000) 9.442 5.427 ( 17.455 10.077 0.000) 20.155 5.907 ( 7.190 4.151 0.000) 8.302 6.300 ( 6.792 3.921 0.000) 7.842 6.663 ( -4.951 -2.859 0.000) 5.717 6.906 ( -11.079 -6.396 0.000) 12.793 7.063 ( -7.110 -4.105 0.000) 8.210 7.194 ( -2.974 -1.717 0.000) 3.434 7.215 ( -6.857 -3.959 0.000) 7.918 7.414 ( -0.307 -0.177 0.000) 0.355 7.541 ( -2.512 -1.451 0.000) 2.901 7.774 ( 2.489 1.437 0.000) 2.874 7.965 ( 3.406 1.967 0.000) 3.933 8.866 ( 18.639 10.761 0.000) 21.523 8.914 ( -1.100 -0.635 0.000) 1.270 9.258 ( 2.552 1.473 0.000) 2.946 9.323 ( -1.098 -0.634 0.000) 1.268 9.428 ( -3.205 -1.850 0.000) 3.701 9.489 ( 9.114 5.262 0.000) 10.524 9.517 ( -6.565 -3.790 0.000) 7.580 9.632 ( -3.173 -1.832 0.000) 3.664 9.664 ( -4.680 -2.702 0.000) 5.404 9.853 ( 4.476 2.584 0.000) 5.169 9.953 ( -5.956 -3.438 0.000) 6.877 10.013 ( -8.785 -5.072 0.000) 10.144 10.330 ( 0.095 0.055 0.000) 0.109 10.811 ( -4.934 -2.849 0.000) 5.697 10.852 ( -6.778 -3.913 0.000) 7.827 11.064 ( 11.517 6.649 0.000) 13.298 11.211 ( -7.126 -4.114 0.000) 8.228 11.364 ( 11.284 6.515 0.000) 13.030 11.550 ( -9.297 -5.368 0.000) 10.735 11.702 ( -7.612 -4.395 0.000) 8.789 11.940 ( -4.636 -2.676 0.000) 5.353 12.073 ( -0.267 -0.154 0.000) 0.308 12.196 ( -2.104 -1.215 0.000) 2.430 12.225 ( 0.960 0.554 0.000) 1.109 12.609 ( -4.159 -2.401 0.000) 4.802 12.705 ( -11.033 -6.370 0.000) 12.740 12.711 ( 12.255 7.076 0.000) 14.151 13.032 ( 16.964 9.794 0.000) 19.588 13.341 ( 7.197 4.155 0.000) 8.311 13.524 ( 0.330 0.190 0.000) 0.381 13.538 ( 0.521 0.301 0.000) 0.601 13.832 ( 2.622 1.514 0.000) 3.028 14.430 ( -11.102 -6.410 0.000) 12.820 14.464 ( -9.863 -5.694 0.000) 11.388 14.635 ( -8.431 -4.867 0.000) 9.735 14.688 ( -9.682 -5.590 0.000) 11.180 14.957 ( 8.256 4.767 0.000) 9.533 15.325 ( 0.401 0.231 0.000) 0.463 15.628 ( -4.074 -2.352 0.000) 4.704 15.847 ( -1.893 -1.093 0.000) 2.186 15.870 ( 6.442 3.719 0.000) 7.439 16.667 ( -9.462 -5.463 0.000) 10.926 17.528 ( -0.259 -0.150 0.000) 0.299 17.564 ( -0.675 -0.390 0.000) 0.780 17.693 ( 3.120 1.802 0.000) 3.603 17.916 ( 1.806 1.043 0.000) 2.086 18.131 ( 8.325 4.806 0.000) 9.613 18.247 ( 2.926 1.689 0.000) 3.378 18.326 ( 4.189 2.418 0.000) 4.837 18.383 ( 8.593 4.961 0.000) 9.922 18.522 ( 7.383 4.263 0.000) 8.526 19.184 ( -5.556 -3.208 0.000) 6.415 19.254 ( -4.698 -2.712 0.000) 5.424 20.177 ( -19.266 -11.123 0.000) 22.247 ======================= Grid point 4 (5/42) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 23.565 13.605 0.000) 27.211 2.363 ( 16.681 9.631 0.000) 19.262 2.788 ( 2.459 1.420 0.000) 2.840 2.842 ( -4.061 -2.344 0.000) 4.689 2.874 ( 4.994 2.883 0.000) 5.767 3.050 ( 12.797 7.388 0.000) 14.777 3.222 ( -8.868 -5.120 0.000) 10.240 3.261 ( -10.353 -5.977 0.000) 11.954 3.291 ( -10.486 -6.054 0.000) 12.109 3.313 ( 1.523 0.879 0.000) 1.758 3.714 ( -6.914 -3.992 0.000) 7.983 3.734 ( -8.156 -4.709 0.000) 9.418 3.887 ( 9.075 5.239 0.000) 10.478 3.975 ( 19.010 10.975 0.000) 21.950 4.085 ( 13.340 7.702 0.000) 15.403 4.202 ( 7.409 4.277 0.000) 8.555 4.429 ( -7.554 -4.361 0.000) 8.723 4.485 ( -10.087 -5.824 0.000) 11.648 4.514 ( -8.470 -4.890 0.000) 9.781 4.727 ( -14.634 -8.449 0.000) 16.898 4.730 ( -8.507 -4.912 0.000) 9.823 5.085 ( -10.342 -5.971 0.000) 11.942 5.144 ( -3.927 -2.267 0.000) 4.534 5.569 ( 23.057 13.312 0.000) 26.624 5.810 ( 15.879 9.167 0.000) 18.335 6.033 ( 4.306 2.486 0.000) 4.972 6.379 ( -2.930 -1.692 0.000) 3.383 6.469 ( -13.367 -7.717 0.000) 15.434 6.743 ( -0.819 -0.473 0.000) 0.946 6.920 ( -4.617 -2.665 0.000) 5.331 7.072 ( -5.713 -3.298 0.000) 6.596 7.158 ( -0.666 -0.385 0.000) 0.769 7.407 ( -0.259 -0.150 0.000) 0.299 7.414 ( -6.750 -3.897 0.000) 7.794 7.877 ( 4.854 2.803 0.000) 5.605 8.021 ( 1.664 0.961 0.000) 1.922 8.939 ( 2.424 1.399 0.000) 2.799 9.242 ( 13.404 7.739 0.000) 15.477 9.266 ( -1.542 -0.890 0.000) 1.781 9.294 ( 1.804 1.041 0.000) 2.083 9.360 ( -4.049 -2.338 0.000) 4.676 9.432 ( -1.553 -0.897 0.000) 1.793 9.583 ( -1.370 -0.791 0.000) 1.582 9.613 ( -0.471 -0.272 0.000) 0.544 9.704 ( 8.935 5.159 0.000) 10.317 9.795 ( -6.675 -3.854 0.000) 7.708 9.883 ( -3.838 -2.216 0.000) 4.432 9.972 ( 5.948 3.434 0.000) 6.868 10.259 ( -5.485 -3.167 0.000) 6.333 10.638 ( -9.998 -5.772 0.000) 11.545 10.736 ( -3.494 -2.017 0.000) 4.034 11.112 ( 0.810 0.468 0.000) 0.936 11.285 ( 3.863 2.231 0.000) 4.461 11.365 ( -6.564 -3.790 0.000) 7.580 11.575 ( -1.771 -1.023 0.000) 2.045 11.662 ( 13.126 7.578 0.000) 15.157 11.835 ( -3.381 -1.952 0.000) 3.904 12.065 ( -0.283 -0.163 0.000) 0.327 12.146 ( -2.033 -1.174 0.000) 2.348 12.232 ( -2.249 -1.298 0.000) 2.597 12.469 ( -7.513 -4.338 0.000) 8.676 12.538 ( -3.123 -1.803 0.000) 3.607 12.930 ( 7.265 4.195 0.000) 8.389 13.181 ( 0.247 0.143 0.000) 0.285 13.521 ( -0.435 -0.251 0.000) 0.502 13.569 ( 5.948 3.434 0.000) 6.868 13.686 ( 15.708 9.069 0.000) 18.138 13.900 ( 3.610 2.084 0.000) 4.168 14.189 ( -9.797 -5.656 0.000) 11.313 14.290 ( -5.766 -3.329 0.000) 6.658 14.387 ( -12.572 -7.258 0.000) 14.517 14.476 ( -8.600 -4.965 0.000) 9.931 15.148 ( 7.379 4.260 0.000) 8.520 15.304 ( -1.604 -0.926 0.000) 1.852 15.536 ( -4.010 -2.315 0.000) 4.631 15.810 ( -1.258 -0.726 0.000) 1.452 16.027 ( 7.548 4.358 0.000) 8.716 16.457 ( -9.155 -5.285 0.000) 10.571 17.525 ( -0.050 -0.029 0.000) 0.057 17.549 ( -0.609 -0.352 0.000) 0.703 17.748 ( 1.752 1.011 0.000) 2.023 17.947 ( 0.999 0.577 0.000) 1.154 18.267 ( 3.995 2.306 0.000) 4.613 18.285 ( 1.446 0.835 0.000) 1.669 18.405 ( 2.669 1.541 0.000) 3.082 18.632 ( 10.817 6.245 0.000) 12.491 18.694 ( 7.988 4.612 0.000) 9.223 19.043 ( -7.043 -4.066 0.000) 8.132 19.182 ( 0.041 0.024 0.000) 0.048 19.745 ( -19.056 -11.002 0.000) 22.004 ======================= Grid point 5 (6/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -0.000 -0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.738 ( -0.000 -0.000 0.000) 0.000 2.877 ( -0.000 -0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.364 ( -0.000 -0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 4.021 ( -0.000 -0.000 0.000) 0.000 4.236 ( -0.000 -0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.380 ( -0.000 -0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.599 ( -0.000 -0.000 0.000) 0.000 4.633 ( -0.000 -0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 5.153 ( -0.000 -0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.065 ( -0.000 -0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.189 ( 0.000 0.000 0.000) 0.000 6.796 ( -0.000 -0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.404 ( 0.000 0.000 0.000) 0.000 7.937 ( -0.000 -0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.281 ( 0.000 0.000 0.000) 0.000 9.301 ( -0.000 -0.000 0.000) 0.000 9.302 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.420 ( 0.000 0.000 0.000) 0.000 9.565 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.163 ( -0.000 -0.000 0.000) 0.000 10.486 ( -0.000 -0.000 0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 11.163 ( -0.000 -0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.288 ( 0.000 0.000 0.000) 0.000 11.594 ( 0.000 0.000 0.000) 0.000 11.756 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 0.000 0.000) 0.000 12.118 ( -0.000 -0.000 0.000) 0.000 12.120 ( 0.000 0.000 0.000) 0.000 12.405 ( 0.000 0.000 0.000) 0.000 12.501 ( 0.000 0.000 0.000) 0.000 13.018 ( 0.000 0.000 0.000) 0.000 13.169 ( 0.000 0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 13.979 ( 0.000 0.000 0.000) 0.000 13.982 ( -0.000 -0.000 0.000) 0.000 14.037 ( -0.000 -0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.223 ( 0.000 0.000 0.000) 0.000 14.365 ( 0.000 0.000 0.000) 0.000 15.243 ( 0.000 0.000 0.000) 0.000 15.282 ( 0.000 0.000 0.000) 0.000 15.479 ( 0.000 0.000 0.000) 0.000 15.796 ( 0.000 0.000 0.000) 0.000 16.157 ( -0.000 -0.000 0.000) 0.000 16.310 ( 0.000 0.000 0.000) 0.000 17.525 ( 0.000 0.000 0.000) 0.000 17.541 ( 0.000 0.000 0.000) 0.000 17.768 ( 0.000 0.000 0.000) 0.000 17.958 ( 0.000 0.000 0.000) 0.000 18.289 ( 0.000 0.000 0.000) 0.000 18.329 ( 0.000 0.000 0.000) 0.000 18.436 ( 0.000 0.000 0.000) 0.000 18.755 ( 0.000 0.000 0.000) 0.000 18.855 ( -0.000 -0.000 0.000) 0.000 18.892 ( 0.000 0.000 0.000) 0.000 19.298 ( 0.000 0.000 0.000) 0.000 19.409 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/42) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 14.173 24.548 0.000) 28.346 1.183 ( 16.641 28.822 0.000) 33.281 1.819 ( 26.333 45.610 0.000) 52.666 2.441 ( 4.471 7.743 0.000) 8.941 2.472 ( 4.817 8.344 0.000) 9.635 2.639 ( 1.689 2.926 0.000) 3.379 2.901 ( 0.208 0.361 0.000) 0.417 3.140 ( 3.056 5.293 0.000) 6.112 3.471 ( 2.290 3.966 0.000) 4.579 3.501 ( 3.532 6.117 0.000) 7.063 3.567 ( -1.188 -2.058 0.000) 2.376 3.850 ( 1.968 3.409 0.000) 3.936 4.202 ( 8.354 14.469 0.000) 16.707 4.248 ( -11.649 -20.176 0.000) 23.298 4.270 ( -11.597 -20.087 0.000) 23.194 4.469 ( -7.504 -12.998 0.000) 15.008 4.486 ( -4.330 -7.499 0.000) 8.659 4.807 ( 5.813 10.068 0.000) 11.626 4.982 ( -0.156 -0.270 0.000) 0.312 5.006 ( -4.675 -8.097 0.000) 9.350 5.090 ( 1.105 1.914 0.000) 2.210 5.166 ( -4.736 -8.204 0.000) 9.473 5.293 ( -7.216 -12.499 0.000) 14.433 5.411 ( -6.017 -10.421 0.000) 12.033 5.575 ( 2.637 4.567 0.000) 5.274 5.607 ( 2.894 5.013 0.000) 5.788 6.126 ( 3.030 5.249 0.000) 6.061 6.735 ( -0.132 -0.229 0.000) 0.264 7.232 ( -5.833 -10.103 0.000) 11.666 7.262 ( -4.055 -7.023 0.000) 8.109 7.285 ( -2.060 -3.568 0.000) 4.120 7.347 ( 0.040 0.069 0.000) 0.079 7.432 ( 0.453 0.784 0.000) 0.906 7.555 ( -0.085 -0.147 0.000) 0.170 7.664 ( -1.225 -2.121 0.000) 2.449 7.930 ( 2.397 4.152 0.000) 4.795 8.330 ( 10.039 17.389 0.000) 20.079 9.036 ( -2.833 -4.907 0.000) 5.666 9.069 ( 4.765 8.253 0.000) 9.529 9.330 ( 0.188 0.326 0.000) 0.377 9.343 ( -1.770 -3.066 0.000) 3.540 9.607 ( -2.389 -4.138 0.000) 4.778 9.629 ( -0.704 -1.219 0.000) 1.407 9.755 ( 1.219 2.111 0.000) 2.437 9.776 ( -2.075 -3.594 0.000) 4.149 9.960 ( -5.245 -9.085 0.000) 10.490 10.095 ( -6.295 -10.902 0.000) 12.589 10.149 ( -2.627 -4.549 0.000) 5.253 10.373 ( -2.789 -4.831 0.000) 5.579 10.732 ( 5.689 9.853 0.000) 11.378 10.898 ( 2.826 4.895 0.000) 5.652 11.037 ( -4.307 -7.460 0.000) 8.614 11.196 ( -2.318 -4.015 0.000) 4.637 11.498 ( -5.762 -9.981 0.000) 11.525 11.806 ( -2.531 -4.383 0.000) 5.061 11.862 ( -2.846 -4.929 0.000) 5.692 12.009 ( 0.656 1.136 0.000) 1.312 12.072 ( -0.774 -1.341 0.000) 1.549 12.177 ( 2.918 5.053 0.000) 5.835 12.253 ( 5.918 10.251 0.000) 11.837 12.345 ( 8.245 14.280 0.000) 16.489 12.390 ( 5.127 8.879 0.000) 10.253 12.726 ( -2.111 -3.656 0.000) 4.221 12.997 ( -5.191 -8.991 0.000) 10.382 13.242 ( 1.350 2.338 0.000) 2.699 13.497 ( 0.486 0.843 0.000) 0.973 13.588 ( -2.960 -5.126 0.000) 5.920 13.789 ( 1.302 2.254 0.000) 2.603 14.509 ( 7.053 12.215 0.000) 14.105 14.708 ( -4.712 -8.162 0.000) 9.425 14.789 ( -6.841 -11.849 0.000) 13.682 14.946 ( -4.896 -8.481 0.000) 9.793 14.984 ( -4.283 -7.418 0.000) 8.565 15.270 ( 3.401 5.891 0.000) 6.803 15.677 ( 1.242 2.151 0.000) 2.483 15.736 ( 0.428 0.741 0.000) 0.855 15.893 ( -0.694 -1.202 0.000) 1.388 16.910 ( -4.313 -7.470 0.000) 8.626 17.542 ( -0.097 -0.168 0.000) 0.194 17.555 ( 0.283 0.490 0.000) 0.566 17.638 ( 1.351 2.340 0.000) 2.702 17.797 ( 5.103 8.839 0.000) 10.206 17.870 ( 2.047 3.546 0.000) 4.095 18.169 ( 0.685 1.186 0.000) 1.369 18.202 ( 1.683 2.916 0.000) 3.367 18.297 ( 2.308 3.998 0.000) 4.617 18.317 ( 2.613 4.525 0.000) 5.225 19.305 ( -1.949 -3.376 0.000) 3.898 19.369 ( -1.289 -2.233 0.000) 2.578 20.667 ( -8.469 -14.669 0.000) 16.938 ======================= Grid point 13 (8/42) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 19.615 18.516 0.000) 26.974 1.730 ( 18.841 21.743 0.000) 28.770 2.623 ( 8.160 7.424 0.000) 11.032 2.645 ( 7.270 8.963 0.000) 11.541 2.696 ( 26.961 33.232 0.000) 42.793 2.716 ( 4.630 6.014 0.000) 7.589 2.905 ( -0.069 0.047 0.000) 0.083 3.247 ( 2.224 4.685 0.000) 5.186 3.533 ( -0.429 -0.516 0.000) 0.671 3.559 ( 3.004 4.043 0.000) 5.036 3.648 ( 7.105 4.678 0.000) 8.507 3.806 ( -16.765 -15.743 0.000) 22.998 3.875 ( -8.962 -15.994 0.000) 18.334 3.930 ( -1.560 -0.954 0.000) 1.828 4.166 ( -7.925 -9.929 0.000) 12.703 4.216 ( -7.301 -10.481 0.000) 12.773 4.665 ( 8.497 8.756 0.000) 12.201 4.769 ( -5.799 -4.254 0.000) 7.192 4.848 ( -7.096 2.694 0.000) 7.591 4.906 ( -10.488 -8.158 0.000) 13.287 5.024 ( -0.948 -10.591 0.000) 10.633 5.073 ( 1.508 -6.726 0.000) 6.893 5.163 ( -9.512 -11.085 0.000) 14.607 5.323 ( 11.875 16.194 0.000) 20.081 5.559 ( -9.383 5.921 0.000) 11.095 5.771 ( 10.605 -0.634 0.000) 10.624 6.250 ( 5.053 6.341 0.000) 8.108 6.712 ( -2.320 -0.625 0.000) 2.403 7.020 ( -9.127 -8.110 0.000) 12.210 7.105 ( -5.603 -6.183 0.000) 8.345 7.212 ( -1.346 -6.436 0.000) 6.575 7.304 ( -6.649 0.918 0.000) 6.712 7.466 ( -0.235 0.706 0.000) 0.744 7.503 ( -1.161 -0.551 0.000) 1.285 7.678 ( 5.386 -6.188 0.000) 8.204 7.972 ( -0.387 3.131 0.000) 3.155 8.698 ( 14.804 14.703 0.000) 20.865 8.943 ( -2.827 -1.720 0.000) 3.309 9.192 ( 3.094 -0.037 0.000) 3.094 9.348 ( 1.800 4.897 0.000) 5.217 9.392 ( 5.603 2.728 0.000) 6.232 9.498 ( -5.237 -2.401 0.000) 5.761 9.597 ( -3.542 -0.818 0.000) 3.635 9.691 ( -3.631 -2.980 0.000) 4.697 9.737 ( -7.442 -1.254 0.000) 7.547 9.830 ( 1.186 0.229 0.000) 1.208 9.928 ( -2.469 -8.455 0.000) 8.808 10.031 ( -1.970 -10.463 0.000) 10.647 10.351 ( -0.604 2.249 0.000) 2.329 10.843 ( -4.592 -4.939 0.000) 6.744 10.939 ( 3.126 8.227 0.000) 8.801 11.048 ( -2.511 6.288 0.000) 6.771 11.175 ( 8.261 0.873 0.000) 8.307 11.289 ( -4.571 -9.637 0.000) 10.667 11.653 ( -8.510 -5.493 0.000) 10.129 11.740 ( -4.000 -7.932 0.000) 8.883 11.984 ( -4.139 -1.993 0.000) 4.594 12.043 ( 1.442 -3.278 0.000) 3.581 12.199 ( 0.819 0.447 0.000) 0.933 12.256 ( -3.385 -0.504 0.000) 3.422 12.647 ( -3.009 -2.648 0.000) 4.008 12.656 ( 6.201 13.939 0.000) 15.256 12.777 ( 2.766 0.995 0.000) 2.939 12.844 ( 11.067 7.918 0.000) 13.608 13.301 ( 2.314 3.478 0.000) 4.178 13.473 ( -0.125 -5.417 0.000) 5.419 13.545 ( 0.513 0.722 0.000) 0.886 13.832 ( 0.913 3.161 0.000) 3.290 14.516 ( -7.803 -8.818 0.000) 11.775 14.556 ( -8.587 -8.822 0.000) 12.311 14.667 ( -1.451 -2.934 0.000) 3.274 14.758 ( -7.190 -8.839 0.000) 11.394 14.893 ( 3.421 2.175 0.000) 4.054 15.373 ( 0.236 7.271 0.000) 7.275 15.643 ( -1.563 -4.377 0.000) 4.648 15.799 ( 3.821 1.963 0.000) 4.296 15.860 ( -1.321 -1.782 0.000) 2.218 16.736 ( -6.978 -8.578 0.000) 11.058 17.531 ( -0.503 -0.475 0.000) 0.692 17.565 ( 0.163 -0.080 0.000) 0.181 17.678 ( 1.257 2.365 0.000) 2.679 17.927 ( 0.533 5.859 0.000) 5.883 18.018 ( 10.213 5.171 0.000) 11.447 18.209 ( 2.312 1.872 0.000) 2.975 18.300 ( 5.187 6.103 0.000) 8.009 18.364 ( 0.521 6.027 0.000) 6.050 18.441 ( 6.739 3.644 0.000) 7.662 19.218 ( -3.660 -4.843 0.000) 6.070 19.303 ( -3.643 -2.859 0.000) 4.631 20.326 ( -14.021 -16.192 0.000) 21.419 ======================= Grid point 14 (9/42) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 22.146 13.784 0.000) 26.086 2.205 ( 16.145 15.537 0.000) 22.407 2.773 ( 2.794 3.381 0.000) 4.386 2.813 ( 6.494 5.884 0.000) 8.763 2.880 ( -0.626 0.688 0.000) 0.930 2.910 ( 9.503 6.306 0.000) 11.405 3.262 ( 1.049 2.631 0.000) 2.832 3.287 ( 3.149 5.373 0.000) 6.227 3.372 ( -13.076 -13.131 0.000) 18.531 3.417 ( -14.176 -16.107 0.000) 21.457 3.677 ( 8.311 8.012 0.000) 11.544 3.753 ( 3.499 -2.339 0.000) 4.209 3.819 ( 8.238 9.295 0.000) 12.420 3.891 ( 0.398 3.519 0.000) 3.542 3.998 ( 0.657 -4.411 0.000) 4.460 4.144 ( 3.770 3.256 0.000) 4.982 4.510 ( -6.822 -7.936 0.000) 10.465 4.593 ( -11.687 -6.553 0.000) 13.399 4.655 ( -12.022 -1.560 0.000) 12.123 4.796 ( -7.581 -10.459 0.000) 12.917 4.854 ( -12.026 -11.190 0.000) 16.427 5.037 ( 6.728 -1.119 0.000) 6.820 5.308 ( 15.999 10.477 0.000) 19.124 5.372 ( -13.762 2.247 0.000) 13.944 5.727 ( 13.232 19.857 0.000) 23.862 5.918 ( 9.181 -2.934 0.000) 9.638 6.379 ( 1.637 2.883 0.000) 3.316 6.634 ( -7.135 1.294 0.000) 7.251 6.803 ( -7.934 -4.274 0.000) 9.012 6.963 ( -4.559 -5.845 0.000) 7.413 7.126 ( -3.369 -3.827 0.000) 5.099 7.180 ( -5.055 -2.323 0.000) 5.563 7.414 ( -4.391 0.246 0.000) 4.398 7.475 ( -2.316 -3.906 0.000) 4.541 7.746 ( 8.877 -4.216 0.000) 9.827 7.997 ( 1.418 0.230 0.000) 1.437 8.932 ( 1.113 2.525 0.000) 2.760 9.079 ( 14.785 10.908 0.000) 18.373 9.221 ( 2.435 -1.157 0.000) 2.696 9.371 ( -5.755 0.347 0.000) 5.766 9.406 ( -2.093 0.207 0.000) 2.103 9.464 ( -1.277 0.052 0.000) 1.278 9.592 ( -0.480 -0.477 0.000) 0.677 9.628 ( 0.507 1.028 0.000) 1.146 9.653 ( -0.016 4.855 0.000) 4.855 9.834 ( -1.582 -3.752 0.000) 4.072 9.898 ( -1.197 -4.541 0.000) 4.696 9.921 ( 3.154 2.220 0.000) 3.857 10.328 ( -3.996 -1.045 0.000) 4.130 10.718 ( -4.923 -5.250 0.000) 7.197 10.830 ( -11.022 -1.658 0.000) 11.146 11.089 ( -0.392 -5.332 0.000) 5.346 11.240 ( 5.661 7.840 0.000) 9.670 11.409 ( -0.101 -4.286 0.000) 4.287 11.526 ( 6.980 5.825 0.000) 9.091 11.603 ( -3.496 -4.228 0.000) 5.487 11.872 ( -4.576 -4.126 0.000) 6.162 12.036 ( 1.497 -3.165 0.000) 3.501 12.179 ( -3.421 -1.502 0.000) 3.736 12.236 ( 0.846 0.505 0.000) 0.985 12.543 ( -7.453 -7.065 0.000) 10.269 12.574 ( -3.655 -3.289 0.000) 4.917 12.921 ( 3.613 13.095 0.000) 13.584 13.184 ( 4.564 6.373 0.000) 7.839 13.423 ( 11.893 1.776 0.000) 12.025 13.469 ( 4.869 -2.075 0.000) 5.292 13.584 ( 3.276 3.093 0.000) 4.506 13.883 ( 1.667 3.122 0.000) 3.539 14.289 ( -9.290 -7.696 0.000) 12.064 14.356 ( -6.977 -5.397 0.000) 8.821 14.468 ( -8.573 -11.855 0.000) 14.630 14.547 ( -7.671 -8.663 0.000) 11.571 15.071 ( 7.693 6.669 0.000) 10.181 15.395 ( -5.099 6.148 0.000) 7.987 15.571 ( -2.686 -2.942 0.000) 3.984 15.817 ( -1.135 -1.881 0.000) 2.197 15.912 ( 8.239 0.323 0.000) 8.245 16.526 ( -7.666 -9.190 0.000) 11.968 17.521 ( -0.034 -0.649 0.000) 0.650 17.557 ( -0.772 -0.152 0.000) 0.787 17.722 ( 2.113 0.356 0.000) 2.143 17.980 ( -1.029 6.033 0.000) 6.120 18.202 ( 6.821 2.583 0.000) 7.294 18.266 ( 2.075 1.707 0.000) 2.687 18.425 ( 0.206 6.518 0.000) 6.521 18.515 ( 10.592 8.166 0.000) 13.375 18.602 ( 8.122 4.126 0.000) 9.110 19.096 ( -4.906 -5.575 0.000) 7.426 19.207 ( -3.829 -2.420 0.000) 4.530 19.914 ( -16.294 -15.735 0.000) 22.651 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 22.656 9.559 0.000) 24.590 2.549 ( 10.270 9.075 0.000) 13.705 2.788 ( -4.960 -2.435 0.000) 5.526 2.832 ( -3.306 0.950 0.000) 3.440 2.917 ( -0.783 0.621 0.000) 0.999 2.998 ( -12.393 -11.753 0.000) 17.079 3.088 ( -1.640 -4.887 0.000) 5.155 3.193 ( 10.253 0.790 0.000) 10.283 3.286 ( 1.226 0.206 0.000) 1.243 3.315 ( 0.012 -0.283 0.000) 0.283 3.526 ( -6.557 -9.726 0.000) 11.730 3.658 ( -6.016 -4.989 0.000) 7.816 4.033 ( 4.503 9.580 0.000) 10.586 4.130 ( 10.101 5.114 0.000) 11.322 4.291 ( 8.051 4.380 0.000) 9.165 4.352 ( -8.349 -7.157 0.000) 10.997 4.378 ( -3.071 -1.780 0.000) 3.550 4.412 ( 20.868 22.519 0.000) 30.702 4.454 ( -7.142 0.422 0.000) 7.155 4.547 ( -10.923 -9.103 0.000) 14.219 4.639 ( -2.976 -4.262 0.000) 5.198 4.974 ( -25.240 -3.897 0.000) 25.539 5.090 ( 3.246 -5.784 0.000) 6.633 5.787 ( 20.626 10.478 0.000) 23.135 5.975 ( 6.048 -3.781 0.000) 7.132 6.158 ( 10.522 20.363 0.000) 22.920 6.215 ( -14.196 -9.716 0.000) 17.202 6.494 ( -18.575 5.496 0.000) 19.371 6.745 ( 3.805 -1.001 0.000) 3.934 6.862 ( -1.799 -3.412 0.000) 3.857 7.054 ( -3.006 2.898 0.000) 4.175 7.124 ( 1.416 -5.157 0.000) 5.347 7.309 ( -3.587 -4.423 0.000) 5.695 7.425 ( -1.580 0.843 0.000) 1.791 7.842 ( 7.157 -6.164 0.000) 9.445 8.018 ( 1.698 -1.655 0.000) 2.371 8.990 ( 0.676 3.698 0.000) 3.760 9.263 ( 2.332 0.938 0.000) 2.514 9.273 ( -1.160 -1.862 0.000) 2.194 9.351 ( 2.936 1.923 0.000) 3.509 9.366 ( 0.921 1.482 0.000) 1.745 9.438 ( -3.459 1.358 0.000) 3.716 9.570 ( 0.560 0.185 0.000) 0.590 9.614 ( -0.482 -0.457 0.000) 0.664 9.742 ( -3.007 0.105 0.000) 3.008 9.812 ( 4.223 5.133 0.000) 6.647 9.873 ( -1.214 2.410 0.000) 2.698 10.043 ( 5.097 3.626 0.000) 6.256 10.211 ( -6.403 -2.281 0.000) 6.797 10.541 ( -7.666 -3.729 0.000) 8.525 10.705 ( -2.076 -1.324 0.000) 2.462 11.103 ( 4.228 -2.078 0.000) 4.711 11.257 ( -1.051 -4.104 0.000) 4.237 11.313 ( -3.700 -2.345 0.000) 4.381 11.606 ( 1.330 4.419 0.000) 4.615 11.737 ( 1.958 -1.300 0.000) 2.351 11.850 ( 8.399 5.119 0.000) 9.836 12.037 ( 1.619 -2.218 0.000) 2.746 12.117 ( -1.223 -2.129 0.000) 2.455 12.166 ( -7.003 -5.585 0.000) 8.957 12.416 ( -1.422 -0.506 0.000) 1.510 12.513 ( -1.770 -0.872 0.000) 1.974 13.050 ( 0.002 7.169 0.000) 7.169 13.206 ( -2.322 2.435 0.000) 3.365 13.489 ( 1.724 -1.992 0.000) 2.635 13.601 ( 4.656 -0.115 0.000) 4.658 13.811 ( 15.631 2.970 0.000) 15.911 13.953 ( 3.622 2.938 0.000) 4.664 14.090 ( -6.841 -4.371 0.000) 8.118 14.172 ( -7.738 -11.514 0.000) 13.873 14.266 ( -4.199 -1.557 0.000) 4.478 14.369 ( -3.677 -5.683 0.000) 6.769 15.225 ( 3.983 3.725 0.000) 5.454 15.354 ( -4.899 4.377 0.000) 6.570 15.505 ( -3.087 0.366 0.000) 3.109 15.789 ( -0.129 -1.325 0.000) 1.331 16.070 ( 9.310 0.106 0.000) 9.311 16.320 ( -5.613 -8.815 0.000) 10.450 17.518 ( 0.313 -0.527 0.000) 0.613 17.544 ( -0.478 -0.155 0.000) 0.503 17.749 ( 1.558 -1.193 0.000) 1.962 18.008 ( -2.436 5.757 0.000) 6.251 18.278 ( 1.250 0.041 0.000) 1.251 18.323 ( 1.896 2.148 0.000) 2.866 18.473 ( -1.258 4.961 0.000) 5.118 18.729 ( 5.690 3.676 0.000) 6.774 18.786 ( 7.506 5.002 0.000) 9.020 18.951 ( -6.264 -5.228 0.000) 8.159 19.205 ( 6.818 1.976 0.000) 7.098 19.508 ( -14.512 -13.173 0.000) 19.599 ======================= Grid point 23 (11/42) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 11.588 20.070 0.000) 23.175 2.142 ( 11.732 20.320 0.000) 23.464 2.748 ( 3.191 5.527 0.000) 6.382 2.804 ( 4.647 8.049 0.000) 9.295 2.847 ( 5.132 8.889 0.000) 10.265 2.900 ( -0.308 -0.533 0.000) 0.615 3.250 ( 6.534 11.317 0.000) 13.068 3.306 ( 0.798 1.382 0.000) 1.596 3.424 ( -9.704 -16.807 0.000) 19.407 3.453 ( -11.963 -20.720 0.000) 23.925 3.654 ( 11.261 19.504 0.000) 22.521 3.683 ( -2.530 -4.383 0.000) 5.061 3.794 ( 6.248 10.822 0.000) 12.496 3.924 ( 0.757 1.312 0.000) 1.515 3.959 ( -4.990 -8.643 0.000) 9.981 4.131 ( 1.142 1.978 0.000) 2.284 4.522 ( -5.520 -9.561 0.000) 11.040 4.685 ( -7.572 -13.114 0.000) 15.143 4.768 ( -5.992 -10.379 0.000) 11.985 4.876 ( -3.520 -6.097 0.000) 7.040 4.879 ( -0.447 -0.775 0.000) 0.895 4.908 ( -7.868 -13.628 0.000) 15.736 5.191 ( 11.759 20.367 0.000) 23.518 5.654 ( -1.270 -2.200 0.000) 2.540 5.672 ( 2.727 4.724 0.000) 5.455 5.740 ( 9.602 16.632 0.000) 19.205 6.380 ( 3.445 5.967 0.000) 6.890 6.715 ( 0.690 1.194 0.000) 1.379 6.851 ( -5.569 -9.647 0.000) 11.139 6.984 ( -3.907 -6.768 0.000) 7.815 7.063 ( -3.963 -6.864 0.000) 7.926 7.334 ( -1.157 -2.004 0.000) 2.315 7.403 ( -1.418 -2.457 0.000) 2.837 7.528 ( -0.537 -0.929 0.000) 1.073 7.573 ( -1.498 -2.595 0.000) 2.996 7.987 ( -0.458 -0.793 0.000) 0.915 8.934 ( 1.635 2.832 0.000) 3.270 9.007 ( 8.552 14.812 0.000) 17.103 9.192 ( 0.807 1.398 0.000) 1.615 9.421 ( -3.035 -5.256 0.000) 6.069 9.446 ( 0.348 0.602 0.000) 0.696 9.447 ( 2.395 4.148 0.000) 4.790 9.608 ( 0.261 0.452 0.000) 0.522 9.627 ( -3.547 -6.143 0.000) 7.094 9.708 ( 2.507 4.343 0.000) 5.015 9.819 ( 0.678 1.174 0.000) 1.356 9.876 ( -2.395 -4.149 0.000) 4.791 9.895 ( 0.488 0.845 0.000) 0.976 10.353 ( -1.075 -1.862 0.000) 2.150 10.731 ( -3.325 -5.759 0.000) 6.650 10.990 ( -7.304 -12.651 0.000) 14.608 11.012 ( -0.354 -0.613 0.000) 0.707 11.258 ( 4.602 7.971 0.000) 9.204 11.321 ( 4.951 8.576 0.000) 9.903 11.539 ( -2.431 -4.210 0.000) 4.861 11.603 ( -2.579 -4.468 0.000) 5.159 11.902 ( -3.597 -6.229 0.000) 7.193 11.990 ( -0.892 -1.544 0.000) 1.783 12.208 ( -2.272 -3.935 0.000) 4.544 12.227 ( 1.061 1.837 0.000) 2.121 12.574 ( -5.652 -9.790 0.000) 11.305 12.588 ( -1.757 -3.043 0.000) 3.513 13.016 ( 6.731 11.659 0.000) 13.463 13.108 ( 9.778 16.935 0.000) 19.555 13.363 ( -2.709 -4.692 0.000) 5.417 13.380 ( 2.439 4.225 0.000) 4.878 13.574 ( 1.192 2.065 0.000) 2.385 13.888 ( 1.496 2.591 0.000) 2.992 14.331 ( -5.754 -9.967 0.000) 11.508 14.397 ( -4.232 -7.330 0.000) 8.464 14.473 ( -7.980 -13.821 0.000) 15.959 14.568 ( -6.071 -10.516 0.000) 12.142 15.036 ( 5.325 9.223 0.000) 10.650 15.522 ( 4.000 6.928 0.000) 8.000 15.550 ( -2.727 -4.724 0.000) 5.455 15.818 ( 0.478 0.828 0.000) 0.956 15.820 ( -1.226 -2.123 0.000) 2.451 16.544 ( -6.419 -11.119 0.000) 12.839 17.518 ( -0.422 -0.731 0.000) 0.844 17.566 ( -0.109 -0.189 0.000) 0.218 17.700 ( 0.266 0.460 0.000) 0.531 18.071 ( 3.505 6.071 0.000) 7.011 18.106 ( 3.401 5.890 0.000) 6.802 18.257 ( 1.751 3.032 0.000) 3.502 18.462 ( 5.672 9.824 0.000) 11.344 18.493 ( 3.885 6.730 0.000) 7.771 18.517 ( 3.165 5.482 0.000) 6.330 19.108 ( -3.704 -6.415 0.000) 7.407 19.232 ( -2.531 -4.384 0.000) 5.062 19.976 ( -11.365 -19.685 0.000) 22.730 ======================= Grid point 24 (12/42) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 15.939 13.370 0.000) 20.804 2.486 ( 9.667 13.107 0.000) 16.286 2.820 ( -0.127 0.492 0.000) 0.508 2.885 ( -1.134 1.070 0.000) 1.559 2.927 ( 2.034 4.697 0.000) 5.119 3.023 ( 3.415 0.706 0.000) 3.487 3.080 ( -9.730 -12.553 0.000) 15.882 3.110 ( -5.099 -11.564 0.000) 12.638 3.277 ( -0.528 -1.174 0.000) 1.287 3.311 ( -0.401 -1.009 0.000) 1.086 3.517 ( -4.856 -9.977 0.000) 11.096 3.695 ( -6.021 -8.413 0.000) 10.346 4.035 ( 6.173 5.145 0.000) 8.036 4.046 ( 7.417 13.148 0.000) 15.096 4.218 ( 4.881 4.122 0.000) 6.389 4.317 ( 20.566 31.051 0.000) 37.244 4.376 ( -3.084 -5.462 0.000) 6.272 4.437 ( -8.067 -8.593 0.000) 11.786 4.599 ( -5.048 -6.929 0.000) 8.572 4.641 ( -9.360 -8.276 0.000) 12.494 4.668 ( -11.618 -2.644 0.000) 11.915 4.910 ( 6.813 -9.813 0.000) 11.946 5.390 ( -22.874 1.612 0.000) 22.930 5.617 ( 15.116 16.741 0.000) 22.556 5.753 ( 10.863 -11.663 0.000) 15.938 6.188 ( 13.047 24.991 0.000) 28.192 6.378 ( -9.772 -2.041 0.000) 9.983 6.674 ( -1.051 -5.951 0.000) 6.044 6.770 ( -2.906 6.084 0.000) 6.742 6.870 ( -3.311 -2.642 0.000) 4.236 6.977 ( 2.138 -8.813 0.000) 9.069 7.198 ( -9.792 2.284 0.000) 10.055 7.359 ( -3.760 -5.490 0.000) 6.654 7.462 ( -2.898 1.425 0.000) 3.229 7.616 ( 9.282 -8.725 0.000) 12.739 7.969 ( 0.703 -2.627 0.000) 2.719 9.003 ( 2.494 4.537 0.000) 5.177 9.241 ( 2.025 2.278 0.000) 3.048 9.266 ( 5.842 7.394 0.000) 9.423 9.309 ( -2.369 -3.727 0.000) 4.416 9.413 ( -2.513 -0.234 0.000) 2.524 9.499 ( -2.014 1.195 0.000) 2.342 9.542 ( 1.090 -1.848 0.000) 2.145 9.616 ( -0.030 -1.332 0.000) 1.333 9.803 ( 1.365 6.522 0.000) 6.663 9.834 ( -2.998 3.092 0.000) 4.307 9.890 ( 3.332 6.257 0.000) 7.089 9.973 ( 6.448 1.900 0.000) 6.722 10.278 ( -4.344 -4.162 0.000) 6.017 10.611 ( -5.187 -5.887 0.000) 7.846 10.760 ( -6.822 -4.341 0.000) 8.086 11.020 ( 2.219 -2.496 0.000) 3.340 11.237 ( -2.827 -6.157 0.000) 6.775 11.345 ( -3.515 -3.925 0.000) 5.269 11.625 ( 3.728 7.427 0.000) 8.310 11.673 ( 6.851 6.572 0.000) 9.494 11.801 ( -0.176 -1.703 0.000) 1.712 11.982 ( 1.679 -1.745 0.000) 2.422 12.123 ( -2.728 -3.994 0.000) 4.836 12.211 ( -4.078 -4.724 0.000) 6.241 12.434 ( -1.952 -2.000 0.000) 2.795 12.533 ( -1.885 -1.858 0.000) 2.647 13.152 ( -1.175 9.687 0.000) 9.758 13.269 ( -2.897 0.606 0.000) 2.959 13.424 ( 7.960 4.789 0.000) 9.289 13.477 ( 7.291 -0.327 0.000) 7.299 13.640 ( 6.009 2.283 0.000) 6.428 13.937 ( 1.723 2.449 0.000) 2.994 14.150 ( -5.998 -6.465 0.000) 8.819 14.185 ( -8.935 -14.509 0.000) 17.039 14.294 ( -2.332 -3.596 0.000) 4.286 14.377 ( -5.086 -8.115 0.000) 9.577 15.197 ( 4.644 6.165 0.000) 7.718 15.451 ( -4.061 -2.354 0.000) 4.694 15.611 ( -3.608 8.877 0.000) 9.582 15.781 ( -0.923 -1.585 0.000) 1.834 15.890 ( 9.540 -2.105 0.000) 9.769 16.322 ( -6.664 -11.789 0.000) 13.542 17.510 ( 0.123 -0.280 0.000) 0.306 17.554 ( -0.849 -0.432 0.000) 0.953 17.708 ( 1.176 -1.211 0.000) 1.688 18.128 ( -2.833 8.284 0.000) 8.755 18.237 ( 5.096 1.564 0.000) 5.330 18.313 ( 1.679 2.331 0.000) 2.873 18.558 ( -1.378 7.296 0.000) 7.425 18.652 ( 7.298 4.272 0.000) 8.457 18.713 ( 8.953 9.084 0.000) 12.754 18.979 ( -4.208 -6.443 0.000) 7.696 19.157 ( -0.884 -2.627 0.000) 2.771 19.591 ( -12.722 -17.411 0.000) 21.564 ======================= Grid point 25 (13/42) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 1.682 -2.914 0.000) 3.364 2.668 ( 0.682 -1.181 0.000) 1.364 2.685 ( -1.301 2.253 0.000) 2.602 2.803 ( -0.889 1.540 0.000) 1.778 2.926 ( -1.333 2.309 0.000) 2.666 2.955 ( 1.340 -2.321 0.000) 2.681 2.972 ( 2.145 -3.715 0.000) 4.290 3.196 ( 2.315 -4.009 0.000) 4.629 3.247 ( 0.154 -0.267 0.000) 0.308 3.290 ( 0.077 -0.133 0.000) 0.153 3.444 ( 0.750 -1.299 0.000) 1.500 3.559 ( 2.483 -4.301 0.000) 4.966 4.166 ( 0.980 -1.697 0.000) 1.960 4.228 ( -4.034 6.988 0.000) 8.069 4.253 ( -0.368 0.638 0.000) 0.737 4.327 ( 1.288 -2.232 0.000) 2.577 4.370 ( 1.521 -2.634 0.000) 3.042 4.414 ( -1.246 2.157 0.000) 2.491 4.484 ( -2.270 3.932 0.000) 4.540 4.565 ( 1.877 -3.252 0.000) 3.755 4.903 ( 2.730 -4.728 0.000) 5.459 4.909 ( -7.594 13.153 0.000) 15.188 4.966 ( -3.652 6.326 0.000) 7.304 5.771 ( 8.178 -14.164 0.000) 16.356 5.984 ( -1.193 2.066 0.000) 2.386 6.121 ( -3.562 6.169 0.000) 7.123 6.568 ( -6.978 12.086 0.000) 13.955 6.637 ( -8.560 14.827 0.000) 17.120 6.658 ( 4.647 -8.049 0.000) 9.294 6.826 ( -0.108 0.187 0.000) 0.216 6.960 ( 4.904 -8.493 0.000) 9.807 7.174 ( -4.055 7.024 0.000) 8.111 7.238 ( 2.042 -3.537 0.000) 4.084 7.450 ( -0.719 1.246 0.000) 1.438 7.659 ( 6.891 -11.935 0.000) 13.781 7.963 ( 1.945 -3.370 0.000) 3.891 9.062 ( -1.835 3.179 0.000) 3.670 9.223 ( 1.277 -2.213 0.000) 2.555 9.287 ( -0.257 0.445 0.000) 0.514 9.384 ( -1.466 2.539 0.000) 2.932 9.385 ( -0.459 0.795 0.000) 0.918 9.463 ( -0.594 1.028 0.000) 1.187 9.573 ( 1.574 -2.726 0.000) 3.147 9.588 ( 0.078 -0.135 0.000) 0.156 9.817 ( -4.382 7.590 0.000) 8.764 9.894 ( -0.860 1.490 0.000) 1.720 9.941 ( -2.630 4.556 0.000) 5.261 10.091 ( 0.260 -0.450 0.000) 0.520 10.169 ( 0.620 -1.074 0.000) 1.240 10.510 ( -0.107 0.185 0.000) 0.213 10.693 ( -0.165 0.286 0.000) 0.330 11.018 ( 3.308 -5.729 0.000) 6.615 11.198 ( 1.144 -1.981 0.000) 2.288 11.266 ( 1.039 -1.799 0.000) 2.078 11.689 ( 1.407 -2.438 0.000) 2.815 11.716 ( -3.633 6.293 0.000) 7.267 11.934 ( -0.306 0.531 0.000) 0.613 11.998 ( 0.926 -1.604 0.000) 1.852 12.062 ( 1.608 -2.785 0.000) 3.216 12.069 ( 1.413 -2.448 0.000) 2.827 12.432 ( -0.830 1.438 0.000) 1.661 12.501 ( 0.230 -0.398 0.000) 0.460 13.185 ( -4.089 7.082 0.000) 8.177 13.244 ( -0.297 0.514 0.000) 0.593 13.491 ( -1.522 2.637 0.000) 3.045 13.551 ( 2.600 -4.503 0.000) 5.200 13.799 ( 2.720 -4.711 0.000) 5.440 13.954 ( 4.291 -7.432 0.000) 8.581 13.994 ( 0.019 -0.033 0.000) 0.038 14.039 ( 0.296 -0.513 0.000) 0.593 14.252 ( 1.255 -2.174 0.000) 2.510 14.291 ( 0.462 -0.801 0.000) 0.924 15.283 ( -1.148 1.989 0.000) 2.297 15.390 ( 0.071 -0.122 0.000) 0.141 15.614 ( -5.799 10.043 0.000) 11.597 15.765 ( 0.556 -0.962 0.000) 1.111 16.029 ( 3.120 -5.404 0.000) 6.240 16.145 ( 4.317 -7.478 0.000) 8.635 17.512 ( 0.005 -0.009 0.000) 0.010 17.541 ( 0.101 -0.176 0.000) 0.203 17.713 ( 1.167 -2.022 0.000) 2.335 18.145 ( -4.328 7.497 0.000) 8.657 18.284 ( -0.230 0.398 0.000) 0.460 18.344 ( 0.090 -0.157 0.000) 0.181 18.583 ( -3.583 6.205 0.000) 7.165 18.778 ( -0.353 0.612 0.000) 0.707 18.848 ( 1.411 -2.444 0.000) 2.822 18.880 ( -1.490 2.581 0.000) 2.981 19.231 ( 1.770 -3.066 0.000) 3.540 19.276 ( 3.871 -6.705 0.000) 7.742 ======================= Grid point 35 (14/42) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 7.056 12.221 0.000) 14.111 2.679 ( 3.273 5.669 0.000) 6.546 2.744 ( -4.682 -8.109 0.000) 9.364 2.845 ( -2.047 -3.546 0.000) 4.095 2.867 ( -4.511 -7.814 0.000) 9.023 2.946 ( 0.863 1.494 0.000) 1.725 2.969 ( -0.057 -0.098 0.000) 0.114 3.144 ( 1.447 2.507 0.000) 2.894 3.242 ( -0.920 -1.594 0.000) 1.841 3.328 ( 1.450 2.511 0.000) 2.900 3.401 ( -0.415 -0.719 0.000) 0.830 3.524 ( -5.003 -8.666 0.000) 10.006 4.124 ( 2.040 3.533 0.000) 4.079 4.283 ( -0.406 -0.704 0.000) 0.813 4.297 ( -1.268 -2.196 0.000) 2.536 4.305 ( -0.335 -0.580 0.000) 0.670 4.311 ( 7.318 12.674 0.000) 14.635 4.480 ( -3.225 -5.587 0.000) 6.451 4.512 ( -1.479 -2.562 0.000) 2.959 4.599 ( -4.705 -8.150 0.000) 9.410 4.742 ( -1.871 -3.241 0.000) 3.742 4.918 ( 16.408 28.420 0.000) 32.816 5.398 ( -6.145 -10.643 0.000) 12.289 5.428 ( -6.103 -10.571 0.000) 12.206 5.965 ( 9.391 16.265 0.000) 18.782 6.321 ( -3.014 -5.220 0.000) 6.028 6.463 ( -5.981 -10.359 0.000) 11.961 6.650 ( 12.044 20.860 0.000) 24.087 6.827 ( 0.087 0.151 0.000) 0.175 6.861 ( -1.855 -3.213 0.000) 3.710 6.936 ( 2.157 3.736 0.000) 4.314 7.137 ( -5.022 -8.699 0.000) 10.044 7.305 ( 0.461 0.799 0.000) 0.922 7.432 ( -3.126 -5.414 0.000) 6.252 7.506 ( -0.176 -0.306 0.000) 0.353 7.923 ( -0.876 -1.516 0.000) 1.751 9.094 ( 2.630 4.556 0.000) 5.260 9.200 ( -2.600 -4.504 0.000) 5.200 9.290 ( 0.591 1.023 0.000) 1.181 9.390 ( 2.368 4.102 0.000) 4.736 9.423 ( 0.527 0.912 0.000) 1.053 9.485 ( -0.505 -0.875 0.000) 1.011 9.524 ( -0.869 -1.506 0.000) 1.739 9.583 ( -0.747 -1.293 0.000) 1.493 9.891 ( 3.026 5.242 0.000) 6.053 9.964 ( 0.031 0.054 0.000) 0.062 10.008 ( 2.873 4.976 0.000) 5.746 10.008 ( 3.621 6.272 0.000) 7.242 10.171 ( -3.910 -6.772 0.000) 7.819 10.518 ( -1.628 -2.820 0.000) 3.256 10.703 ( -0.842 -1.458 0.000) 1.684 10.950 ( -2.257 -3.909 0.000) 4.514 11.176 ( 0.485 0.840 0.000) 0.970 11.251 ( -2.728 -4.725 0.000) 5.456 11.662 ( -0.895 -1.551 0.000) 1.791 11.820 ( 3.703 6.414 0.000) 7.407 11.873 ( 4.261 7.380 0.000) 8.521 11.980 ( 0.800 1.385 0.000) 1.599 12.043 ( -2.162 -3.746 0.000) 4.325 12.064 ( -5.319 -9.213 0.000) 10.638 12.449 ( 1.158 2.006 0.000) 2.316 12.497 ( -1.074 -1.861 0.000) 2.148 13.240 ( -0.842 -1.458 0.000) 1.684 13.295 ( 3.184 5.515 0.000) 6.368 13.436 ( -1.957 -3.389 0.000) 3.913 13.606 ( 5.879 10.183 0.000) 11.758 13.673 ( 1.476 2.556 0.000) 2.951 13.899 ( -8.252 -14.294 0.000) 16.505 13.983 ( 1.467 2.541 0.000) 2.934 14.050 ( -2.249 -3.895 0.000) 4.497 14.218 ( -2.081 -3.605 0.000) 4.163 14.295 ( -0.483 -0.837 0.000) 0.967 15.300 ( 2.513 4.353 0.000) 5.026 15.387 ( -2.003 -3.470 0.000) 4.007 15.745 ( 0.096 0.167 0.000) 0.193 15.826 ( 4.156 7.199 0.000) 8.313 15.861 ( 1.430 2.477 0.000) 2.860 16.085 ( -7.117 -12.327 0.000) 14.234 17.514 ( 0.393 0.681 0.000) 0.787 17.538 ( -0.610 -1.056 0.000) 1.219 17.691 ( -0.281 -0.487 0.000) 0.562 18.247 ( 1.393 2.412 0.000) 2.786 18.277 ( 1.885 3.265 0.000) 3.771 18.333 ( -0.287 -0.498 0.000) 0.574 18.700 ( 2.934 5.083 0.000) 5.869 18.705 ( 2.242 3.883 0.000) 4.484 18.848 ( -4.087 -7.079 0.000) 8.174 18.921 ( 6.499 11.257 0.000) 12.998 19.119 ( -0.485 -0.840 0.000) 0.970 19.270 ( -8.580 -14.861 0.000) 17.160 ======================= Grid point 109 (15/42) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -0.000 0.000 35.053) 35.053 0.780 ( -0.000 0.000 35.053) 35.053 1.371 ( -0.000 -0.000 62.470) 62.470 2.042 ( 0.000 0.000 -20.041) 20.041 2.042 ( 0.000 -0.000 -20.041) 20.041 2.624 ( 0.000 0.000 3.604) 3.604 2.840 ( -0.000 0.000 -4.321) 4.321 3.116 ( -0.000 -0.000 4.659) 4.659 3.473 ( -0.000 -0.000 7.545) 7.545 3.473 ( 0.000 -0.000 7.545) 7.545 3.612 ( -0.000 -0.000 -7.459) 7.459 3.740 ( 0.000 0.000 -3.271) 3.271 3.740 ( 0.000 0.000 -3.271) 3.271 3.919 ( 0.000 0.000 -43.950) 43.950 4.767 ( 0.000 -0.000 -2.655) 2.655 4.767 ( -0.000 0.000 -2.655) 2.655 4.791 ( -0.000 0.000 -3.589) 3.589 4.791 ( 0.000 0.000 -3.589) 3.589 5.079 ( 0.000 0.000 7.995) 7.995 5.079 ( -0.000 0.000 7.995) 7.995 5.125 ( 0.000 0.000 7.440) 7.440 5.125 ( 0.000 0.000 7.440) 7.440 5.530 ( 0.000 0.000 -3.332) 3.332 5.530 ( -0.000 -0.000 -3.332) 3.332 5.574 ( 0.000 0.000 -3.910) 3.910 5.574 ( 0.000 0.000 -3.910) 3.910 6.398 ( -0.000 -0.000 25.322) 25.322 7.016 ( 0.000 -0.000 -4.856) 4.856 7.310 ( -0.000 -0.000 -0.353) 0.353 7.316 ( -0.000 0.000 -1.089) 1.089 7.447 ( 0.000 0.000 4.667) 4.667 7.660 ( 0.000 0.000 -1.228) 1.228 7.660 ( -0.000 0.000 -1.228) 1.228 7.667 ( 0.000 -0.000 -1.497) 1.497 7.667 ( 0.000 -0.000 -1.497) 1.497 7.825 ( -0.000 0.000 -6.303) 6.303 7.967 ( 0.000 0.000 15.492) 15.492 8.873 ( 0.000 -0.000 -19.359) 19.359 8.997 ( -0.000 -0.000 8.423) 8.423 9.534 ( -0.000 -0.000 8.742) 8.742 9.534 ( 0.000 -0.000 8.742) 8.742 9.693 ( -0.000 0.000 -18.211) 18.211 9.726 ( 0.000 0.000 4.854) 4.854 9.726 ( -0.000 -0.000 4.854) 4.854 9.727 ( 0.000 -0.000 4.168) 4.168 9.727 ( -0.000 0.000 4.168) 4.168 10.028 ( 0.000 -0.000 -7.029) 7.029 10.028 ( 0.000 0.000 -7.029) 7.029 10.418 ( 0.000 0.000 -7.697) 7.697 10.418 ( 0.000 0.000 -7.697) 7.697 10.630 ( 0.000 -0.000 -12.004) 12.004 10.630 ( 0.000 0.000 -12.004) 12.004 11.425 ( 0.000 0.000 11.617) 11.617 11.425 ( -0.000 -0.000 11.617) 11.617 11.761 ( -0.000 -0.000 19.212) 19.212 11.891 ( 0.000 0.000 23.573) 23.573 11.977 ( 0.000 0.000 -7.179) 7.179 11.977 ( -0.000 0.000 -7.179) 7.179 12.171 ( 0.000 0.000 5.613) 5.613 12.171 ( -0.000 0.000 5.613) 5.613 12.315 ( -0.000 -0.000 -2.242) 2.242 12.315 ( -0.000 -0.000 -2.242) 2.242 12.646 ( 0.000 0.000 -14.418) 14.418 12.915 ( -0.000 -0.000 -15.529) 15.529 13.314 ( 0.000 0.000 8.843) 8.843 13.314 ( -0.000 0.000 8.843) 8.843 13.681 ( 0.000 0.000 -5.348) 5.348 13.681 ( 0.000 0.000 -5.348) 5.348 14.174 ( -0.000 0.000 -0.286) 0.286 14.236 ( -0.000 0.000 -3.907) 3.907 15.128 ( 0.000 0.000 -0.648) 0.648 15.128 ( 0.000 0.000 -0.648) 0.648 15.130 ( -0.000 0.000 -0.739) 0.739 15.130 ( 0.000 -0.000 -0.739) 0.739 15.479 ( -0.000 0.000 9.334) 9.334 15.523 ( 0.000 -0.000 4.287) 4.287 15.722 ( 0.000 -0.000 -3.084) 3.084 15.852 ( -0.000 0.000 -5.206) 5.206 17.565 ( 0.000 0.000 0.825) 0.825 17.565 ( 0.000 -0.000 0.825) 0.825 17.589 ( 0.000 0.000 -0.042) 0.042 17.589 ( 0.000 0.000 -0.042) 0.042 18.170 ( -0.000 0.000 0.359) 0.359 18.170 ( 0.000 -0.000 0.359) 0.359 18.199 ( 0.000 0.000 -0.675) 0.675 18.199 ( -0.000 0.000 -0.675) 0.675 19.343 ( -0.000 0.000 1.226) 1.226 19.397 ( 0.000 -0.000 -0.750) 0.750 20.920 ( -0.000 0.000 0.649) 0.649 20.962 ( 0.000 0.000 -0.880) 0.880 ======================= Grid point 110 (16/42) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 11.419 6.593 25.711) 28.895 0.968 ( 15.207 8.780 27.949) 33.007 1.833 ( 31.657 18.277 47.944) 60.290 2.088 ( 3.980 2.298 -22.224) 22.694 2.111 ( 6.093 3.518 -19.099) 20.354 2.640 ( 1.490 0.860 3.444) 3.850 2.847 ( 0.564 0.325 -4.102) 4.154 3.128 ( 0.904 0.522 4.720) 4.834 3.491 ( 3.212 1.854 1.997) 4.212 3.514 ( 3.209 1.853 6.477) 7.462 3.544 ( -2.551 -1.473 -5.311) 6.073 3.768 ( 2.505 1.446 -3.161) 4.285 3.925 ( 13.932 8.044 -2.835) 16.336 4.132 ( 16.884 9.748 -33.020) 38.346 4.566 ( -16.733 -9.661 0.211) 19.323 4.584 ( -14.085 -8.132 0.087) 16.264 4.625 ( -12.173 -7.028 -2.101) 14.213 4.652 ( -9.080 -5.243 -2.342) 10.744 5.036 ( -1.420 -0.820 7.461) 7.639 5.081 ( 3.094 1.786 7.523) 8.328 5.244 ( -0.273 -0.158 4.723) 4.733 5.253 ( 1.863 1.076 4.904) 5.356 5.412 ( -7.133 -4.118 -4.959) 9.614 5.478 ( -1.666 -0.962 -5.277) 5.617 5.503 ( -6.318 -3.648 -3.866) 8.256 5.514 ( -3.505 -2.023 -4.161) 5.804 6.395 ( -0.454 -0.262 21.992) 21.998 6.846 ( -9.194 -5.308 2.488) 10.904 7.298 ( -2.200 -1.270 -1.246) 2.830 7.303 ( -1.413 -0.816 -0.768) 1.803 7.429 ( -1.946 -1.124 2.499) 3.361 7.443 ( -8.439 -4.872 4.934) 10.923 7.547 ( -6.123 -3.535 4.476) 8.368 7.551 ( -3.906 -2.255 3.388) 5.641 7.744 ( 1.969 1.137 -3.816) 4.443 7.768 ( 2.730 1.576 -1.262) 3.395 8.133 ( 12.094 6.983 7.727) 15.961 8.822 ( -3.831 -2.212 -18.775) 19.289 9.013 ( 2.204 1.273 5.974) 6.494 9.482 ( -7.580 -4.376 -1.221) 8.838 9.517 ( -1.406 -0.812 9.058) 9.202 9.563 ( -3.068 -1.771 -2.685) 4.445 9.695 ( -2.045 -1.181 2.288) 3.288 9.751 ( 1.732 1.000 3.313) 3.869 9.781 ( 1.071 0.618 3.038) 3.280 10.034 ( -1.008 -0.582 -2.763) 2.998 10.060 ( 2.786 1.608 -7.685) 8.331 10.417 ( -0.403 -0.232 4.469) 4.494 10.472 ( 7.599 4.387 -9.498) 12.931 10.529 ( -7.867 -4.542 -3.276) 9.656 10.637 ( 27.552 15.907 -38.385) 49.856 10.719 ( 11.908 6.875 -14.683) 20.117 11.324 ( -7.119 -4.110 9.927) 12.888 11.408 ( -1.240 -0.716 11.393) 11.483 11.843 ( 1.740 1.005 6.706) 7.000 11.895 ( -5.648 -3.261 -8.582) 10.779 11.953 ( 3.500 2.021 9.728) 10.534 12.035 ( 6.164 3.559 -2.941) 7.702 12.135 ( -3.646 -2.105 4.818) 6.399 12.231 ( 7.203 4.159 9.872) 12.909 12.250 ( -4.530 -2.615 -1.196) 5.365 12.326 ( 2.215 1.279 -0.785) 2.675 12.630 ( -1.242 -0.717 -12.719) 12.800 13.048 ( 5.723 3.304 -22.111) 23.078 13.236 ( -4.168 -2.406 7.479) 8.894 13.325 ( 0.978 0.565 8.786) 8.859 13.618 ( -4.510 -2.604 -5.555) 7.615 13.693 ( 0.948 0.547 -5.413) 5.523 14.321 ( 11.415 6.590 0.672) 13.197 14.582 ( 19.870 11.472 -16.703) 28.380 14.996 ( -9.739 -5.623 1.395) 11.332 15.045 ( -4.390 -2.535 -1.533) 5.296 15.052 ( -6.181 -3.569 -0.918) 7.196 15.078 ( -4.628 -2.672 -1.107) 5.458 15.606 ( 5.354 3.091 1.659) 6.401 15.668 ( 13.791 7.962 -5.592) 16.878 15.723 ( -0.260 -0.150 -2.247) 2.267 15.859 ( 0.426 0.246 -4.219) 4.247 17.556 ( 0.180 0.104 2.484) 2.492 17.580 ( 1.902 1.098 1.517) 2.669 17.639 ( 3.409 1.968 -0.511) 3.969 17.668 ( 6.315 3.646 -1.537) 7.452 18.168 ( 0.439 0.253 1.061) 1.176 18.177 ( 0.728 0.420 0.652) 1.064 18.223 ( 1.745 1.007 -0.953) 2.228 18.233 ( 2.906 1.678 -1.156) 3.549 19.287 ( -5.793 -3.345 4.288) 7.946 19.381 ( -1.544 -0.891 -1.226) 2.163 20.127 ( -45.125 -26.053 50.297) 72.421 20.831 ( -11.343 -6.549 -3.447) 13.544 ======================= Grid point 111 (17/42) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 25.150 14.520 3.436) 29.244 1.380 ( 20.851 12.038 18.967) 30.650 2.214 ( 7.349 4.243 -24.770) 26.183 2.304 ( 11.079 6.396 -16.605) 20.961 2.575 ( 33.228 19.184 34.054) 51.301 2.688 ( 2.694 1.555 2.894) 4.249 2.862 ( 0.695 0.401 -3.447) 3.539 3.149 ( 0.850 0.491 2.197) 2.406 3.495 ( -0.843 -0.487 -4.595) 4.697 3.639 ( 6.968 4.023 6.077) 10.083 3.640 ( 9.498 5.484 5.271) 12.168 3.845 ( 4.136 2.388 -2.385) 5.338 4.134 ( -20.622 -11.906 3.168) 24.022 4.220 ( -17.170 -9.913 3.078) 20.063 4.276 ( 9.471 5.468 -1.127) 10.994 4.310 ( -14.839 -8.567 -3.320) 17.453 4.461 ( -0.863 -0.498 -4.114) 4.233 4.581 ( 20.020 11.558 -20.113) 30.642 4.947 ( -7.664 -4.425 2.753) 9.269 5.055 ( -12.192 -7.039 1.725) 14.184 5.072 ( -8.685 -5.014 3.885) 10.754 5.150 ( -1.063 -0.614 3.375) 3.592 5.274 ( -7.495 -4.327 1.789) 8.837 5.330 ( -9.516 -5.494 -1.903) 11.152 5.416 ( -1.304 -0.753 -6.032) 6.217 5.616 ( 7.182 4.146 -8.696) 12.016 6.384 ( -0.071 -0.041 14.621) 14.621 6.714 ( -3.891 -2.247 -1.695) 4.802 7.189 ( -8.422 -4.862 1.309) 9.812 7.197 ( -5.993 -3.460 -0.387) 6.931 7.340 ( -3.360 -1.940 4.296) 5.789 7.382 ( -2.983 -1.722 3.350) 4.805 7.461 ( -2.147 -1.240 3.198) 4.046 7.516 ( 0.672 0.388 1.182) 1.414 7.755 ( -0.524 -0.303 -2.715) 2.782 7.838 ( 3.339 1.928 -3.185) 5.001 8.437 ( 14.831 8.563 -0.418) 17.130 8.745 ( -2.381 -1.375 -15.045) 15.294 9.097 ( 5.239 3.025 -1.034) 6.138 9.300 ( -6.892 -3.979 -9.429) 12.338 9.480 ( -1.565 -0.904 6.981) 7.211 9.512 ( -3.029 -1.749 5.442) 6.469 9.651 ( -1.693 -0.978 4.093) 4.536 9.777 ( -1.395 -0.805 4.595) 4.869 9.786 ( 1.420 0.820 0.162) 1.647 9.993 ( -1.777 -1.026 9.084) 9.312 10.127 ( 2.518 1.454 -9.744) 10.168 10.324 ( -8.373 -4.834 9.767) 13.743 10.375 ( -5.186 -2.994 17.854) 18.831 10.665 ( 9.536 5.506 -7.492) 13.319 10.886 ( 9.620 5.554 -12.315) 16.584 11.015 ( 5.240 3.025 -15.978) 17.085 11.171 ( -6.111 -3.528 10.597) 12.732 11.371 ( -2.691 -1.554 7.172) 7.816 11.760 ( -6.752 -3.899 1.544) 7.948 11.784 ( -3.672 -2.120 -15.532) 16.100 12.011 ( 0.474 0.274 -0.742) 0.922 12.021 ( -5.927 -3.422 3.016) 7.479 12.113 ( -0.242 -0.140 -9.460) 9.464 12.130 ( -6.278 -3.625 -2.786) 7.766 12.430 ( 10.397 6.003 2.028) 12.176 12.580 ( 18.889 10.905 3.651) 22.114 12.601 ( -1.141 -0.659 -7.692) 7.804 13.004 ( -6.742 -3.893 0.439) 7.798 13.251 ( 3.193 1.844 -12.427) 12.962 13.353 ( 1.301 0.751 7.526) 7.674 13.524 ( -3.190 -1.842 -4.952) 6.172 13.723 ( 1.812 1.046 -5.348) 5.743 14.593 ( 10.712 6.185 1.260) 12.434 14.704 ( -7.048 -4.069 1.843) 8.345 14.759 ( -11.156 -6.441 3.238) 13.282 14.878 ( -9.003 -5.198 -1.491) 10.503 14.948 ( -5.698 -3.290 -0.722) 6.619 15.117 ( 9.217 5.321 -13.697) 17.346 15.696 ( -2.272 -1.312 -0.864) 2.762 15.705 ( 3.239 1.870 -2.321) 4.402 15.860 ( -0.421 -0.243 -2.150) 2.204 15.952 ( 9.750 5.629 -21.814) 24.548 17.581 ( 2.085 1.204 5.825) 6.303 17.645 ( 3.632 2.097 2.136) 4.707 17.724 ( 3.990 2.304 -0.200) 4.612 17.851 ( 9.693 5.597 -4.162) 11.942 18.198 ( 0.920 0.531 1.377) 1.739 18.202 ( 2.533 1.462 1.877) 3.475 18.272 ( 2.897 1.673 -0.677) 3.413 18.322 ( 4.972 2.871 -1.104) 5.847 19.020 ( -17.222 -9.943 31.946) 37.630 19.322 ( -3.848 -2.221 -2.259) 4.984 19.480 ( -14.146 -8.167 29.118) 33.387 20.495 ( -17.970 -10.375 -7.989) 22.235 ======================= Grid point 112 (18/42) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 24.103 13.916 -3.507) 28.051 1.862 ( 22.157 12.793 13.086) 28.738 2.411 ( 10.149 5.859 -22.489) 25.359 2.588 ( 14.188 8.192 -13.610) 21.298 2.753 ( 2.944 1.700 1.715) 3.808 2.867 ( -0.371 -0.214 -2.481) 2.518 3.161 ( 0.093 0.053 -0.424) 0.437 3.179 ( 14.791 8.539 10.184) 19.885 3.573 ( 11.114 6.417 7.558) 14.894 3.683 ( -16.023 -9.251 5.054) 19.179 3.745 ( -11.325 -6.538 5.290) 14.106 3.816 ( 6.987 4.034 4.612) 9.293 3.870 ( -10.545 -6.088 2.108) 12.358 3.951 ( 7.273 4.199 5.946) 10.290 4.069 ( -1.224 -0.707 -3.868) 4.118 4.103 ( -11.329 -6.541 -3.956) 13.667 4.683 ( -10.619 -6.131 2.637) 12.542 4.707 ( -4.510 -2.604 0.192) 5.211 4.771 ( -7.232 -4.175 3.450) 9.035 4.898 ( 5.618 3.243 -1.829) 6.740 4.975 ( -3.312 -1.912 -0.249) 3.832 5.049 ( -9.192 -5.307 -0.405) 10.622 5.244 ( 17.132 9.891 -11.504) 22.884 5.267 ( 2.415 1.394 5.552) 6.213 5.338 ( -4.853 -2.802 -4.062) 6.921 5.754 ( 5.019 2.898 -11.947) 13.279 6.404 ( 1.617 0.933 7.104) 7.345 6.623 ( -5.277 -3.047 -3.154) 6.861 6.982 ( -9.226 -5.327 3.997) 11.378 7.062 ( -6.072 -3.506 -0.571) 7.035 7.251 ( -4.181 -2.414 4.612) 6.677 7.280 ( -5.702 -3.292 5.800) 8.775 7.437 ( -0.370 -0.213 2.353) 2.392 7.525 ( -1.590 -0.918 -1.271) 2.233 7.762 ( 2.140 1.236 -0.960) 2.651 7.905 ( 2.490 1.438 -5.163) 5.910 8.736 ( 1.685 0.973 -9.657) 9.851 8.780 ( 15.796 9.120 -6.839) 19.479 9.195 ( -2.561 -1.478 -6.978) 7.579 9.220 ( 4.734 2.733 -3.788) 6.650 9.430 ( -3.974 -2.294 4.363) 6.332 9.479 ( 2.343 1.353 0.453) 2.744 9.597 ( -3.877 -2.238 3.413) 5.630 9.738 ( -1.319 -0.761 7.597) 7.748 9.825 ( 2.423 1.399 -3.715) 4.651 9.973 ( -0.254 -0.147 17.420) 17.422 10.142 ( -1.525 -0.881 -11.955) 12.084 10.155 ( -6.887 -3.976 19.682) 21.228 10.231 ( -6.704 -3.870 20.429) 21.846 10.774 ( -2.911 -1.680 -12.857) 13.289 11.035 ( 4.875 2.815 -8.167) 9.919 11.059 ( -3.952 -2.281 16.579) 17.196 11.162 ( 7.997 4.617 1.416) 9.343 11.328 ( 1.747 1.008 1.943) 2.800 11.585 ( -8.537 -4.929 2.862) 10.265 11.720 ( -3.193 -1.843 -12.306) 12.846 11.899 ( -4.489 -2.592 -5.268) 7.391 11.988 ( -5.713 -3.298 -4.692) 8.095 11.998 ( -1.140 -0.658 -5.235) 5.398 12.072 ( -2.547 -1.470 -10.763) 11.157 12.587 ( 0.011 0.006 -0.554) 0.554 12.673 ( 10.529 6.079 -2.551) 12.423 12.850 ( -6.547 -3.780 8.504) 11.378 13.001 ( 16.231 9.371 -3.491) 19.065 13.308 ( 1.940 1.120 -13.549) 13.733 13.369 ( 1.595 0.921 -0.570) 1.927 13.521 ( 3.108 1.794 1.260) 3.803 13.775 ( 2.925 1.689 -4.874) 5.930 14.484 ( -11.716 -6.764 3.376) 13.943 14.520 ( -9.669 -5.582 4.208) 11.931 14.605 ( -9.142 -5.278 -2.461) 10.839 14.668 ( -9.692 -5.596 -1.782) 11.333 14.991 ( 8.934 5.158 3.273) 10.823 15.282 ( 4.919 2.840 -5.371) 7.817 15.625 ( -3.905 -2.254 -0.086) 4.510 15.760 ( 2.193 1.266 -8.589) 8.954 15.841 ( -1.168 -0.674 -0.299) 1.381 16.083 ( 2.613 1.509 -22.355) 22.558 17.644 ( 3.530 2.038 10.513) 11.275 17.727 ( 3.456 1.995 2.724) 4.831 17.804 ( 3.003 1.734 1.342) 3.719 18.064 ( 8.675 5.009 -5.852) 11.601 18.192 ( -2.310 -1.334 7.264) 7.738 18.256 ( 1.833 1.058 0.305) 2.138 18.392 ( 8.604 4.968 0.904) 9.976 18.434 ( 4.224 2.438 2.938) 5.694 18.717 ( -7.155 -4.131 28.045) 29.237 19.216 ( -5.314 -3.068 -3.405) 7.017 19.267 ( -7.836 -4.524 10.158) 13.604 20.069 ( -19.875 -11.475 -10.436) 25.211 ======================= Grid point 113 (19/42) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 18.424 10.637 -3.770) 21.605 2.349 ( 21.339 12.320 8.277) 25.993 2.642 ( 9.941 5.739 -14.903) 18.811 2.802 ( 0.911 0.526 -0.914) 1.394 2.810 ( -3.195 -1.845 -2.806) 4.635 2.933 ( 14.315 8.265 -9.564) 19.097 3.148 ( -1.595 -0.921 -1.222) 2.210 3.251 ( -2.470 -1.426 -2.141) 3.567 3.341 ( -9.431 -5.445 3.593) 11.467 3.360 ( -18.334 -10.585 4.939) 21.739 3.630 ( -9.199 -5.311 -6.168) 12.282 3.671 ( -13.536 -7.815 -4.685) 16.317 4.057 ( 11.447 6.609 4.594) 13.993 4.128 ( 5.639 3.256 9.469) 11.492 4.167 ( 21.620 12.482 8.505) 26.374 4.201 ( 9.736 5.621 3.017) 11.640 4.484 ( -6.032 -3.482 3.477) 7.784 4.504 ( -9.459 -5.461 1.414) 11.013 4.585 ( -8.127 -4.692 4.497) 10.406 4.706 ( -8.401 -4.850 -2.030) 9.911 4.782 ( -12.304 -7.104 6.001) 15.423 5.068 ( -12.449 -7.188 -2.735) 14.633 5.221 ( 2.757 1.592 7.519) 8.165 5.566 ( 21.421 12.367 0.148) 24.735 5.679 ( 16.468 9.508 -10.354) 21.652 5.855 ( 6.013 3.472 -12.695) 14.470 6.389 ( -5.577 -3.220 0.482) 6.457 6.432 ( -12.861 -7.425 -2.493) 15.058 6.852 ( -0.282 -0.163 5.806) 5.815 6.944 ( -3.892 -2.247 1.189) 4.649 7.138 ( -7.194 -4.153 5.066) 9.730 7.179 ( -2.127 -1.228 1.428) 2.841 7.434 ( -0.035 -0.020 3.030) 3.030 7.454 ( -3.471 -2.004 4.060) 5.705 7.834 ( 3.286 1.897 -3.929) 5.462 7.947 ( 1.324 0.764 -6.404) 6.584 8.807 ( 3.947 2.279 -4.982) 6.753 9.110 ( 12.780 7.378 -11.101) 18.466 9.177 ( 0.402 0.232 -3.209) 3.242 9.281 ( 1.161 0.670 -1.402) 1.940 9.354 ( -2.252 -1.300 5.050) 5.680 9.491 ( -4.969 -2.869 2.300) 6.182 9.584 ( 5.937 3.428 -8.300) 10.765 9.727 ( 0.144 0.083 7.029) 7.031 9.898 ( 3.782 2.184 -9.027) 10.028 9.925 ( -5.701 -3.292 13.007) 14.578 10.042 ( -1.221 -0.705 27.941) 27.976 10.069 ( -4.041 -2.333 -10.404) 11.403 10.130 ( -2.484 -1.434 24.923) 25.088 10.580 ( -11.584 -6.688 -11.726) 17.788 10.996 ( -1.753 -1.012 21.572) 21.666 11.133 ( 4.806 2.775 0.045) 5.549 11.305 ( 3.473 2.005 1.192) 4.183 11.410 ( -6.501 -3.753 3.694) 8.367 11.419 ( 3.082 1.779 -10.617) 11.198 11.638 ( -2.715 -1.568 -11.227) 11.656 11.822 ( -2.643 -1.526 -6.822) 7.473 11.921 ( -0.245 -0.141 -7.235) 7.241 11.973 ( -0.928 -0.536 -7.566) 7.642 12.020 ( -1.872 -1.081 -10.768) 10.982 12.600 ( 0.969 0.559 6.522) 6.617 12.727 ( -4.328 -2.499 12.950) 13.880 12.877 ( 7.553 4.361 -4.650) 9.883 13.145 ( -1.244 -0.718 -4.279) 4.514 13.345 ( 1.533 0.885 -9.839) 9.997 13.558 ( 10.953 6.324 -6.546) 14.241 13.642 ( 9.266 5.350 1.953) 10.876 13.857 ( 4.557 2.631 -3.724) 6.446 14.221 ( -11.227 -6.482 2.119) 13.136 14.341 ( -6.112 -3.529 3.842) 8.036 14.348 ( -12.845 -7.416 -3.218) 15.177 14.464 ( -8.054 -4.650 -1.169) 9.373 15.187 ( 7.579 4.376 3.793) 9.538 15.338 ( 0.667 0.385 1.971) 2.116 15.532 ( -4.245 -2.451 -0.145) 4.904 15.813 ( 2.459 1.420 -16.435) 16.679 15.816 ( -0.905 -0.522 0.816) 1.326 16.098 ( -0.552 -0.319 -17.361) 17.372 17.732 ( 4.219 2.436 15.329) 16.084 17.788 ( 1.978 1.142 3.217) 3.945 17.853 ( 1.334 0.770 6.279) 6.465 18.087 ( -6.055 -3.496 14.574) 16.165 18.215 ( 4.583 2.646 -4.551) 6.980 18.290 ( 1.614 0.932 -0.290) 1.887 18.478 ( 0.627 0.362 7.594) 7.629 18.619 ( 9.967 5.754 -1.084) 11.560 18.733 ( 6.145 3.548 5.700) 9.102 19.092 ( -8.115 -4.685 5.335) 10.783 19.125 ( -1.208 -0.697 -5.082) 5.270 19.637 ( -18.533 -10.700 -10.077) 23.653 ======================= Grid point 114 (20/42) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -0.000 -0.000 -2.195) 2.195 2.693 ( 0.000 0.000 -2.771) 2.771 2.718 ( 0.000 0.000 -5.497) 5.497 2.741 ( -0.000 -0.000 -1.871) 1.871 2.878 ( -0.000 -0.000 2.190) 2.190 2.928 ( 0.000 0.000 5.746) 5.746 3.130 ( -0.000 -0.000 1.828) 1.828 3.184 ( 0.000 0.000 -4.175) 4.175 3.265 ( 0.000 0.000 -3.944) 3.944 3.302 ( -0.000 -0.000 -3.990) 3.990 3.359 ( 0.000 0.000 -9.001) 9.001 3.516 ( 0.000 0.000 -7.651) 7.651 4.201 ( 0.000 0.000 9.991) 9.991 4.279 ( -0.000 -0.000 3.076) 3.076 4.288 ( 0.000 0.000 1.118) 1.118 4.361 ( 0.000 0.000 0.065) 0.065 4.412 ( 0.000 0.000 3.308) 3.308 4.500 ( -0.000 -0.000 4.606) 4.606 4.576 ( 0.000 0.000 12.673) 12.673 4.581 ( -0.000 -0.000 -2.046) 2.046 4.657 ( -0.000 -0.000 1.286) 1.286 4.736 ( 0.000 0.000 5.515) 5.515 5.248 ( 0.000 0.000 8.570) 8.570 5.813 ( 0.000 0.000 -14.439) 14.439 6.044 ( -0.000 -0.000 -1.272) 1.272 6.062 ( 0.000 0.000 -1.411) 1.411 6.135 ( 0.000 0.000 -3.433) 3.433 6.150 ( -0.000 -0.000 -4.448) 4.448 6.901 ( 0.000 0.000 2.383) 2.383 6.942 ( -0.000 -0.000 9.429) 9.429 6.982 ( 0.000 0.000 -0.622) 0.622 7.156 ( 0.000 0.000 -0.584) 0.584 7.411 ( 0.000 0.000 7.731) 7.731 7.433 ( 0.000 0.000 3.424) 3.424 7.875 ( 0.000 0.000 -5.740) 5.740 7.962 ( 0.000 0.000 -6.778) 6.778 8.862 ( 0.000 0.000 -2.584) 2.584 9.184 ( 0.000 0.000 -1.810) 1.810 9.270 ( 0.000 0.000 -12.475) 12.475 9.291 ( 0.000 0.000 -1.192) 1.192 9.347 ( 0.000 0.000 7.027) 7.027 9.413 ( -0.000 -0.000 0.777) 0.777 9.672 ( 0.000 0.000 -10.971) 10.971 9.735 ( -0.000 -0.000 5.913) 5.913 9.831 ( 0.000 0.000 10.560) 10.560 9.931 ( 0.000 0.000 -16.095) 16.095 10.037 ( 0.000 0.000 -4.583) 4.583 10.044 ( 0.000 0.000 31.311) 31.311 10.103 ( 0.000 0.000 26.207) 26.207 10.408 ( -0.000 -0.000 -10.963) 10.963 10.978 ( 0.000 0.000 23.392) 23.392 11.249 ( -0.000 -0.000 6.271) 6.271 11.266 ( 0.000 0.000 -3.525) 3.525 11.331 ( 0.000 0.000 3.598) 3.598 11.456 ( 0.000 0.000 -8.409) 8.409 11.616 ( 0.000 0.000 -22.242) 22.242 11.794 ( 0.000 0.000 -10.638) 10.638 11.929 ( 0.000 0.000 -1.314) 1.314 11.962 ( 0.000 0.000 -8.457) 8.457 11.997 ( 0.000 0.000 -10.525) 10.525 12.619 ( 0.000 0.000 11.944) 11.944 12.670 ( -0.000 -0.000 11.765) 11.765 12.980 ( 0.000 0.000 -3.732) 3.732 13.103 ( 0.000 0.000 -6.226) 6.226 13.367 ( 0.000 0.000 -6.566) 6.566 13.659 ( 0.000 0.000 -0.390) 0.390 13.869 ( -0.000 -0.000 -7.557) 7.557 13.960 ( 0.000 0.000 -2.730) 2.730 14.037 ( -0.000 -0.000 0.681) 0.681 14.122 ( 0.000 0.000 -1.844) 1.844 14.269 ( 0.000 0.000 3.323) 3.323 14.361 ( 0.000 0.000 -0.529) 0.529 15.288 ( 0.000 0.000 4.641) 4.641 15.341 ( 0.000 0.000 4.424) 4.424 15.467 ( 0.000 0.000 -1.061) 1.061 15.806 ( 0.000 0.000 1.176) 1.176 15.846 ( 0.000 0.000 -20.626) 20.626 16.087 ( 0.000 0.000 -13.762) 13.762 17.800 ( 0.000 0.000 13.129) 13.129 17.811 ( 0.000 0.000 3.407) 3.407 17.864 ( -0.000 -0.000 22.209) 22.209 17.998 ( 0.000 0.000 5.332) 5.332 18.259 ( 0.000 0.000 -2.720) 2.720 18.321 ( 0.000 0.000 -1.300) 1.300 18.486 ( 0.000 0.000 5.436) 5.436 18.736 ( 0.000 0.000 -1.927) 1.927 18.880 ( -0.000 -0.000 2.671) 2.671 18.930 ( 0.000 0.000 4.124) 4.124 19.211 ( 0.000 0.000 -7.749) 7.749 19.318 ( -0.000 -0.000 -8.105) 8.105 ======================= Grid point 121 (21/42) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 13.888 24.055 7.829) 28.858 1.247 ( 10.941 18.951 21.198) 30.467 2.179 ( 4.027 6.976 -24.350) 25.647 2.234 ( 5.264 9.118 -17.510) 20.431 2.378 ( 19.783 34.265 37.683) 54.640 2.673 ( 1.440 2.495 3.064) 4.206 2.858 ( 0.428 0.742 -3.671) 3.769 3.145 ( 0.656 1.137 2.980) 3.257 3.503 ( -0.898 -1.556 -5.286) 5.583 3.589 ( 3.195 5.535 6.664) 9.233 3.590 ( 4.928 8.536 3.349) 10.410 3.821 ( 2.140 3.706 -2.751) 5.088 4.184 ( 9.093 15.749 -1.575) 18.253 4.279 ( -10.420 -18.048 2.161) 20.952 4.299 ( -10.805 -18.715 2.452) 21.748 4.435 ( -7.897 -13.679 -2.797) 16.041 4.435 ( 2.295 3.974 -9.745) 10.771 4.483 ( 4.438 7.686 -17.286) 19.432 5.025 ( -4.679 -8.105 3.447) 9.973 5.059 ( -0.609 -1.054 6.767) 6.876 5.130 ( -3.672 -6.360 3.358) 8.075 5.205 ( -5.374 -9.307 3.150) 11.199 5.277 ( -5.250 -9.093 -0.645) 10.520 5.385 ( -5.462 -9.461 -2.294) 11.163 5.490 ( 2.123 3.678 -7.226) 8.382 5.528 ( 2.181 3.778 -6.801) 8.080 6.387 ( -0.133 -0.230 16.775) 16.777 6.742 ( -2.388 -4.136 -0.524) 4.805 7.229 ( -3.642 -6.307 0.259) 7.288 7.278 ( -1.640 -2.841 -1.015) 3.434 7.315 ( -3.554 -6.156 4.416) 8.368 7.411 ( -1.654 -2.865 5.385) 6.320 7.434 ( -0.683 -1.182 0.120) 1.371 7.613 ( 0.195 0.339 4.728) 4.744 7.641 ( -1.908 -3.304 -2.493) 4.558 7.871 ( 2.080 3.603 -5.122) 6.599 8.343 ( 8.027 13.903 2.117) 16.193 8.764 ( -1.629 -2.821 -16.301) 16.623 9.064 ( 2.296 3.976 0.798) 4.660 9.347 ( -4.111 -7.121 -8.369) 11.733 9.512 ( -0.332 -0.574 10.128) 10.150 9.514 ( -1.635 -2.832 3.396) 4.714 9.680 ( -0.350 -0.606 3.658) 3.725 9.728 ( -1.391 -2.409 -0.285) 2.796 9.820 ( 1.168 2.023 4.102) 4.721 10.010 ( -0.810 -1.402 3.852) 4.178 10.102 ( 1.261 2.185 -6.058) 6.562 10.363 ( -3.352 -5.806 16.802) 18.090 10.385 ( -4.339 -7.515 3.649) 9.414 10.652 ( 6.139 10.633 -6.137) 13.726 10.794 ( 4.296 7.441 -13.525) 16.023 10.953 ( 3.571 6.185 -18.670) 19.990 11.261 ( -1.309 -2.268 0.011) 2.619 11.367 ( -1.531 -2.652 13.773) 14.110 11.777 ( -3.278 -5.678 -11.368) 13.123 11.834 ( -2.109 -3.653 1.655) 4.531 11.974 ( -1.413 -2.447 -0.604) 2.889 12.084 ( -2.060 -3.568 -1.085) 4.260 12.129 ( 1.605 2.779 -7.274) 7.950 12.148 ( -3.200 -5.543 -0.183) 6.403 12.411 ( 6.437 11.148 1.347) 12.943 12.428 ( 8.025 13.900 8.137) 17.995 12.611 ( -0.553 -0.958 -9.118) 9.185 13.040 ( -3.140 -5.438 -4.156) 7.530 13.231 ( 1.538 2.665 -9.205) 9.706 13.351 ( 1.213 2.101 8.651) 8.985 13.531 ( -2.962 -5.131 -5.470) 8.064 13.722 ( 1.128 1.954 -5.833) 6.254 14.522 ( 7.107 12.310 1.474) 14.291 14.736 ( -1.301 -2.254 -1.529) 3.019 14.826 ( -6.307 -10.924 2.881) 12.939 14.931 ( -4.961 -8.592 -1.346) 10.012 14.966 ( -3.584 -6.208 -1.586) 7.342 15.082 ( 4.464 7.732 -13.245) 15.973 15.674 ( 0.987 1.709 -0.094) 1.976 15.717 ( 0.163 0.283 -1.560) 1.594 15.859 ( 0.381 0.659 -3.973) 4.046 15.888 ( 6.256 10.836 -18.369) 22.225 17.578 ( 1.085 1.880 3.599) 4.203 17.601 ( 1.179 2.042 3.873) 4.534 17.739 ( 3.656 6.332 -2.184) 7.631 17.771 ( 4.525 7.837 -2.382) 9.358 18.172 ( 0.404 0.700 1.945) 2.106 18.215 ( 1.817 3.148 1.137) 3.809 18.262 ( 1.315 2.278 -1.136) 2.865 18.283 ( 2.250 3.898 -1.301) 4.685 19.117 ( -9.075 -15.719 23.485) 29.682 19.341 ( -2.011 -3.483 -1.688) 4.361 19.586 ( -11.749 -20.350 39.699) 46.133 20.599 ( -9.651 -16.716 -6.862) 20.485 ======================= Grid point 122 (22/42) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 18.006 21.902 0.291) 28.355 1.661 ( 17.885 16.939 13.326) 28.006 2.347 ( 6.510 9.308 -23.859) 26.425 2.455 ( 10.536 8.989 -14.944) 20.375 2.733 ( 2.359 3.109 2.062) 4.414 2.870 ( 0.166 0.501 -2.818) 2.867 3.024 ( 19.214 23.180 21.057) 36.741 3.167 ( 0.493 1.557 0.277) 1.657 3.512 ( 3.477 4.204 0.636) 5.492 3.717 ( 5.540 3.556 5.310) 8.457 3.779 ( 3.519 5.081 8.725) 10.692 3.844 ( -11.110 -12.301 2.110) 16.709 3.903 ( -4.643 -5.309 2.261) 7.407 3.957 ( -6.847 -10.521 3.263) 12.970 4.122 ( -9.201 -9.440 -4.074) 13.797 4.171 ( -7.437 -11.818 -3.852) 14.485 4.655 ( 11.557 13.232 -1.092) 17.602 4.786 ( -5.861 -5.017 0.036) 7.715 4.835 ( 0.974 5.769 -3.381) 6.757 4.925 ( -10.553 -6.719 0.995) 12.550 5.018 ( -5.354 -9.236 0.361) 10.681 5.041 ( 4.338 -0.125 -5.343) 6.883 5.176 ( -6.040 -8.064 1.082) 10.133 5.234 ( 4.668 3.815 2.840) 6.664 5.472 ( -8.017 4.544 -7.404) 11.821 5.651 ( 8.076 -0.830 -9.802) 12.728 6.401 ( 0.986 2.100 10.012) 10.277 6.681 ( -2.941 -0.871 -2.876) 4.204 7.081 ( -6.291 -6.731 3.839) 9.981 7.132 ( -8.560 -2.852 1.680) 9.178 7.262 ( 1.495 -6.947 4.156) 8.232 7.324 ( -6.489 -1.221 2.296) 6.990 7.447 ( 2.053 -2.911 -1.004) 3.701 7.527 ( -4.604 0.476 0.279) 4.637 7.672 ( 5.247 -5.035 0.848) 7.321 7.911 ( -0.105 2.410 -5.348) 5.867 8.641 ( 11.720 11.976 -4.195) 17.274 8.746 ( 0.590 2.453 -10.760) 11.052 9.145 ( 2.933 0.995 -3.126) 4.400 9.266 ( -1.479 1.836 -9.209) 9.506 9.452 ( -2.490 -1.728 4.887) 5.750 9.504 ( -0.758 0.969 6.191) 6.312 9.644 ( -3.255 0.123 2.222) 3.943 9.709 ( 2.009 -3.151 1.761) 4.132 9.838 ( -0.881 2.030 1.771) 2.834 9.984 ( -1.085 -0.331 11.745) 11.800 10.117 ( -1.292 -2.157 3.895) 4.636 10.214 ( -2.875 -10.391 17.094) 20.210 10.254 ( -4.040 -3.573 7.090) 8.908 10.812 ( -2.245 3.720 -12.469) 13.205 10.934 ( 9.452 2.250 -10.629) 14.400 11.041 ( 3.337 2.293 7.137) 8.205 11.200 ( -3.354 3.458 2.053) 5.236 11.318 ( -1.047 -2.713 10.738) 11.125 11.677 ( -6.150 -3.772 -3.080) 7.845 11.726 ( -2.548 -4.990 -7.728) 9.545 11.926 ( -1.522 -3.349 -5.806) 6.874 11.980 ( -3.253 -5.840 -4.141) 7.864 12.036 ( -3.473 -4.826 -2.737) 6.546 12.113 ( -2.922 -1.069 -11.241) 11.663 12.599 ( -0.277 1.294 -2.449) 2.784 12.647 ( 4.567 14.492 -0.657) 15.208 12.787 ( 16.520 8.749 -0.956) 18.718 12.922 ( -2.972 -2.334 4.894) 6.183 13.273 ( 1.221 -0.398 -12.952) 13.015 13.391 ( -0.486 3.099 4.227) 5.264 13.470 ( 2.048 -2.421 -2.534) 4.059 13.764 ( 1.347 2.620 -5.832) 6.534 14.574 ( -8.082 -9.146 3.387) 12.667 14.606 ( -8.243 -8.632 3.816) 12.531 14.650 ( -2.891 -4.469 -1.280) 5.475 14.742 ( -7.309 -8.688 -1.532) 11.456 14.919 ( 4.931 4.302 2.617) 7.047 15.264 ( 4.813 8.809 -10.777) 14.728 15.643 ( -1.870 -3.604 0.251) 4.068 15.743 ( 0.812 1.090 -4.257) 4.469 15.847 ( -0.719 -1.183 -1.011) 1.714 16.048 ( 3.596 3.388 -23.678) 24.188 17.623 ( 1.685 2.874 7.408) 8.123 17.660 ( 3.757 0.666 5.064) 6.341 17.846 ( 0.528 8.714 -1.880) 8.930 17.960 ( 9.097 5.310 -4.885) 11.611 18.191 ( 0.676 -0.016 4.679) 4.727 18.276 ( -0.701 3.652 1.420) 3.981 18.323 ( 5.153 4.181 0.890) 6.695 18.383 ( 4.832 3.830 -0.493) 6.185 18.788 ( -9.373 -11.663 35.174) 38.225 19.245 ( -3.937 -5.642 -1.284) 6.999 19.349 ( -6.419 -5.506 12.016) 14.694 20.224 ( -14.837 -17.094 -9.877) 24.696 ======================= Grid point 123 (23/42) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 19.063 13.594 6.064) 24.186 2.143 ( 18.119 16.491 1.419) 24.541 2.561 ( 7.902 9.324 -19.005) 22.596 2.732 ( 11.609 5.690 -9.364) 15.963 2.808 ( 3.151 4.328 -2.047) 5.731 2.864 ( -0.956 0.158 -2.226) 2.428 3.164 ( -0.775 0.166 -1.681) 1.859 3.262 ( -0.426 -0.226 -2.456) 2.503 3.444 ( -13.037 -12.864 5.053) 18.999 3.504 ( -13.864 -16.035 5.708) 21.952 3.685 ( -7.026 -10.798 -2.887) 13.202 3.759 ( -4.458 -4.071 -0.623) 6.069 3.939 ( 14.647 15.964 9.489) 23.652 4.004 ( 8.222 3.460 3.017) 9.417 4.090 ( 5.399 7.507 9.920) 13.561 4.118 ( 6.177 5.241 -0.307) 8.107 4.541 ( -6.310 -7.513 2.641) 10.161 4.615 ( -10.763 -6.162 0.934) 12.438 4.693 ( -9.523 -5.247 2.236) 11.100 4.787 ( -8.911 -8.558 -1.442) 12.439 4.899 ( -10.391 -7.550 5.869) 14.121 5.115 ( 7.868 3.962 5.487) 10.378 5.254 ( -0.390 1.793 -3.246) 3.729 5.365 ( 4.374 7.264 -1.135) 8.555 5.580 ( 15.042 21.076 -10.458) 27.926 5.761 ( 7.274 -1.547 -12.032) 14.145 6.437 ( -1.932 1.746 4.291) 5.019 6.597 ( -7.737 1.370 -2.697) 8.307 6.902 ( -7.066 -3.687 5.859) 9.892 6.996 ( -4.400 -3.246 1.552) 5.684 7.161 ( -6.293 -4.030 2.922) 8.024 7.235 ( -0.829 -4.717 5.041) 6.953 7.388 ( -2.984 -4.022 -1.548) 5.242 7.498 ( -0.638 -1.318 1.389) 2.018 7.725 ( 6.870 -4.599 -1.326) 8.372 7.928 ( 0.967 -0.009 -5.953) 6.031 8.796 ( 2.585 5.426 -6.083) 8.552 8.976 ( 12.391 10.580 -8.245) 18.261 9.170 ( 0.825 0.241 -3.413) 3.519 9.293 ( -0.204 2.569 -2.660) 3.703 9.403 ( -3.008 1.072 2.671) 4.164 9.535 ( 0.549 1.558 1.569) 2.279 9.583 ( -2.956 2.995 -1.886) 4.611 9.716 ( 0.989 -0.682 4.685) 4.836 9.864 ( 2.559 2.005 -2.542) 4.127 9.950 ( -2.723 -4.255 10.981) 12.087 10.030 ( -0.852 -4.065 21.125) 21.529 10.104 ( -2.665 -3.749 12.123) 12.966 10.185 ( -3.500 -0.774 3.811) 5.232 10.669 ( -8.388 -9.357 -13.457) 18.411 11.011 ( -2.344 -2.454 18.534) 18.842 11.105 ( 3.489 4.692 -3.140) 6.637 11.261 ( 3.240 3.629 3.682) 6.101 11.359 ( 4.869 1.274 -5.369) 7.359 11.503 ( -7.891 -3.523 2.546) 9.009 11.659 ( -2.053 -3.287 -6.506) 7.573 11.836 ( -3.047 -4.901 -5.833) 8.205 11.907 ( -0.250 -2.943 -11.980) 12.339 11.968 ( -0.421 -2.821 -5.368) 6.078 12.047 ( -2.907 -1.643 -11.093) 11.585 12.613 ( -0.279 2.685 4.930) 5.621 12.753 ( -1.692 -2.584 9.860) 10.332 12.881 ( 1.413 11.451 -2.504) 11.807 13.135 ( 5.806 4.110 -5.624) 9.068 13.292 ( 5.277 -1.143 -9.482) 10.912 13.440 ( 5.509 4.651 -5.985) 9.370 13.550 ( 6.505 1.724 3.590) 7.627 13.822 ( 2.696 2.755 -5.058) 6.360 14.328 ( -10.131 -8.986 2.528) 13.776 14.404 ( -7.412 -6.809 3.210) 10.564 14.445 ( -8.793 -10.311 -1.645) 13.651 14.533 ( -7.570 -8.155 -1.281) 11.201 15.108 ( 7.753 6.654 3.623) 10.840 15.376 ( -0.477 6.460 -2.983) 7.131 15.567 ( -2.856 -3.396 0.087) 4.438 15.769 ( 2.544 -0.521 -10.483) 10.800 15.820 ( -0.712 -1.501 -0.045) 1.662 16.085 ( 0.554 -1.621 -19.922) 19.996 17.686 ( 2.866 1.808 11.765) 12.243 17.728 ( 4.010 0.152 6.888) 7.972 17.920 ( -1.588 8.135 0.087) 8.289 18.122 ( 0.394 -1.811 5.930) 6.213 18.159 ( 2.233 0.412 4.296) 4.859 18.288 ( 0.223 1.739 1.060) 2.049 18.481 ( 1.765 3.422 4.618) 6.013 18.512 ( 9.532 7.321 -0.025) 12.019 18.676 ( 2.843 0.373 12.219) 12.551 19.119 ( -3.923 -6.127 -0.473) 7.290 19.198 ( -6.696 -3.485 2.954) 8.106 19.804 ( -16.207 -15.532 -10.407) 24.743 ======================= Grid point 124 (24/42) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 12.966 9.696 -1.602) 16.269 2.565 ( 17.797 9.596 5.315) 20.906 2.753 ( 2.433 3.345 -8.503) 9.456 2.768 ( -2.987 -0.124 -3.245) 4.412 2.815 ( -1.514 0.858 -2.742) 3.247 3.045 ( -4.705 -7.038 1.524) 8.601 3.064 ( 2.219 -2.237 -2.159) 3.819 3.171 ( -1.632 -4.732 0.269) 5.013 3.208 ( 1.325 -1.577 -2.133) 2.965 3.276 ( -2.278 -1.902 -2.351) 3.786 3.445 ( -8.683 -11.268 -6.715) 15.731 3.542 ( -6.448 -5.805 -8.109) 11.876 4.164 ( 9.397 4.436 2.954) 10.804 4.215 ( 2.889 5.513 6.205) 8.789 4.313 ( 6.403 5.144 5.054) 9.643 4.380 ( -7.391 -5.203 2.284) 9.323 4.433 ( -2.798 -2.326 3.502) 5.050 4.494 ( 14.672 16.178 4.507) 22.301 4.507 ( -2.905 -1.560 3.284) 4.653 4.618 ( -1.886 -3.253 -1.320) 3.985 4.664 ( -9.814 -3.605 10.924) 15.121 4.973 ( -20.711 -2.938 -0.991) 20.941 5.190 ( 3.790 -5.020 8.870) 10.874 5.723 ( 10.568 0.862 -9.435) 14.193 5.858 ( 13.423 9.287 -3.004) 16.597 6.066 ( 13.064 20.147 -7.374) 25.119 6.246 ( -15.790 -6.722 2.076) 17.286 6.432 ( -18.064 3.393 -4.898) 19.021 6.858 ( 4.026 -0.557 6.592) 7.744 6.922 ( -2.023 -1.851 4.788) 5.517 7.049 ( -3.637 -0.718 -0.111) 3.709 7.165 ( -2.295 -3.058 1.424) 4.080 7.319 ( 1.984 -7.194 2.935) 8.019 7.474 ( -1.279 0.613 4.029) 4.271 7.787 ( 5.982 -6.309 -4.592) 9.832 7.942 ( 1.447 -1.629 -6.618) 6.967 8.889 ( 0.727 5.825 -2.627) 6.431 9.166 ( 1.129 -0.280 -1.926) 2.250 9.226 ( 4.583 2.804 -8.682) 10.210 9.325 ( 1.372 3.391 0.276) 3.668 9.376 ( -2.177 3.452 2.855) 4.980 9.463 ( -5.249 0.409 2.551) 5.850 9.668 ( 2.296 4.334 -7.366) 8.850 9.736 ( 1.197 1.523 3.399) 3.912 9.840 ( -2.659 -3.720 8.066) 9.272 9.937 ( 0.941 1.002 -7.369) 7.496 10.023 ( 0.168 -0.464 9.548) 9.561 10.048 ( 0.360 0.303 16.719) 16.726 10.125 ( -2.518 0.212 17.061) 17.247 10.434 ( -6.749 -7.590 -12.273) 15.930 10.969 ( -0.265 -1.624 22.641) 22.701 11.187 ( 4.190 1.319 4.319) 6.160 11.290 ( -1.530 -2.952 0.398) 3.349 11.345 ( -2.435 -2.442 0.989) 3.587 11.458 ( 0.893 2.222 -9.631) 9.924 11.611 ( -0.705 -1.419 -17.348) 17.420 11.775 ( 0.450 -3.206 -9.198) 9.751 11.907 ( 1.727 -1.052 -5.726) 6.073 11.947 ( 0.313 -2.019 -7.486) 7.759 11.999 ( -0.821 -1.359 -9.818) 9.945 12.633 ( -0.560 2.506 11.142) 11.435 12.699 ( -2.258 0.313 13.536) 13.726 13.004 ( 0.810 7.647 -4.435) 8.877 13.137 ( -2.604 0.274 -5.557) 6.143 13.357 ( 1.417 0.852 -7.305) 7.490 13.606 ( 5.946 -0.655 -2.226) 6.383 13.747 ( 12.956 3.948 -2.938) 13.859 13.913 ( 5.063 2.866 -3.612) 6.848 14.093 ( -8.112 -6.627 0.438) 10.484 14.162 ( -8.675 -10.572 -1.493) 13.757 14.291 ( -3.246 -1.872 2.267) 4.380 14.365 ( -3.405 -5.161 -0.476) 6.201 15.266 ( 4.411 3.714 4.022) 7.031 15.387 ( -3.069 3.524 2.523) 5.310 15.494 ( -2.992 -0.443 -0.828) 3.136 15.796 ( 0.391 -1.354 0.117) 1.414 15.817 ( 2.504 -1.057 -17.394) 17.605 16.063 ( 0.609 -3.429 -14.240) 14.659 17.732 ( 2.114 -1.324 10.000) 10.306 17.810 ( 4.882 1.445 16.391) 17.164 17.928 ( -5.341 3.429 10.832) 12.555 18.020 ( -2.776 -1.346 6.133) 6.865 18.250 ( 2.225 1.176 -2.763) 3.738 18.316 ( 0.946 1.206 -1.174) 1.930 18.514 ( -1.185 3.559 4.543) 5.892 18.712 ( 5.086 3.715 -1.747) 6.536 18.811 ( 7.721 4.320 3.082) 9.368 18.987 ( -6.207 -5.633 3.706) 9.164 19.136 ( 4.680 1.261 -5.952) 7.676 19.411 ( -13.734 -12.325 -8.831) 20.458 ======================= Grid point 132 (25/42) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 10.515 18.212 12.085) 24.254 2.071 ( 12.708 22.011 -2.820) 25.573 2.551 ( 6.440 11.155 -20.192) 23.950 2.643 ( 6.027 10.439 -11.761) 16.841 2.804 ( 2.421 4.193 -0.378) 4.857 2.875 ( -0.006 -0.011 -2.062) 2.062 3.172 ( 0.091 0.157 -1.826) 1.835 3.266 ( 0.303 0.525 -2.141) 2.225 3.504 ( -11.554 -20.013 4.362) 23.517 3.528 ( -9.501 -16.456 6.734) 20.160 3.684 ( -5.764 -9.984 -1.060) 11.577 3.771 ( 1.832 3.172 3.892) 5.345 3.900 ( 7.496 12.984 6.818) 16.470 3.946 ( 2.283 3.954 2.272) 5.099 4.082 ( 5.520 9.560 10.604) 15.307 4.093 ( 1.898 3.287 -3.082) 4.889 4.555 ( -5.249 -9.091 2.824) 10.870 4.713 ( -5.141 -8.904 -3.575) 10.885 4.719 ( -7.437 -12.881 2.787) 15.132 4.841 ( -6.640 -11.502 -2.107) 13.447 4.996 ( 0.971 1.682 8.209) 8.436 5.019 ( -4.081 -7.069 8.915) 12.087 5.172 ( 11.211 19.417 -1.315) 22.460 5.530 ( -1.514 -2.622 -10.384) 10.816 5.551 ( 11.736 20.328 -10.086) 25.548 5.614 ( 2.622 4.541 -8.474) 9.965 6.464 ( 2.146 3.717 6.160) 7.508 6.681 ( 0.368 0.637 -2.663) 2.763 6.933 ( -4.897 -8.481 6.513) 11.761 7.082 ( -3.418 -5.919 7.228) 9.948 7.098 ( -3.122 -5.408 2.175) 6.613 7.321 ( -2.195 -3.802 -0.503) 4.418 7.348 ( -1.951 -3.379 -4.009) 5.595 7.509 ( -1.860 -3.222 -5.473) 6.617 7.604 ( -0.555 -0.961 5.884) 5.988 7.921 ( -0.472 -0.818 -5.832) 5.908 8.802 ( 3.418 5.920 -6.015) 9.106 8.923 ( 8.065 13.969 -6.446) 17.371 9.162 ( 0.783 1.356 -2.647) 3.075 9.311 ( 0.476 0.824 -4.365) 4.468 9.448 ( 0.683 1.182 1.514) 2.039 9.528 ( 1.067 1.849 4.973) 5.412 9.656 ( 0.276 0.478 -2.102) 2.174 9.683 ( 0.631 1.093 1.889) 2.272 9.856 ( 0.040 0.069 0.700) 0.704 9.953 ( -2.731 -4.731 10.145) 11.522 10.017 ( -2.161 -3.743 21.901) 22.324 10.093 ( -1.275 -2.209 16.779) 16.972 10.209 ( -1.170 -2.026 -3.514) 4.222 10.691 ( -6.467 -11.201 -14.228) 19.228 11.022 ( -1.857 -3.217 15.455) 15.895 11.092 ( 4.838 8.381 -6.714) 11.778 11.280 ( -0.430 -0.744 11.152) 11.185 11.303 ( 3.000 5.196 -5.437) 8.096 11.571 ( -4.730 -8.192 2.677) 9.831 11.647 ( -0.647 -1.121 -4.608) 4.786 11.839 ( -4.514 -7.819 -5.505) 10.575 11.890 ( -0.897 -1.554 -15.515) 15.618 11.952 ( -1.743 -3.019 -3.647) 5.045 12.068 ( -1.960 -3.395 -11.705) 12.344 12.635 ( 1.507 2.610 5.395) 6.180 12.754 ( -1.506 -2.609 9.235) 9.714 13.000 ( 4.929 8.536 -1.726) 10.007 13.020 ( 8.632 14.951 -7.406) 18.786 13.234 ( -1.521 -2.635 -8.979) 9.481 13.450 ( 1.100 1.905 -8.485) 8.765 13.478 ( 2.435 4.217 7.525) 8.963 13.815 ( 1.548 2.681 -6.046) 6.792 14.371 ( -6.586 -11.407 2.474) 13.402 14.444 ( -4.624 -8.010 3.499) 9.889 14.457 ( -7.586 -13.139 -1.383) 15.234 14.557 ( -5.862 -10.154 -1.090) 11.775 15.073 ( 5.293 9.168 3.582) 11.176 15.428 ( 4.416 7.648 -8.928) 12.558 15.564 ( -2.464 -4.268 1.539) 5.163 15.743 ( -0.413 -0.715 -5.714) 5.773 15.817 ( -1.018 -1.763 -0.120) 2.039 16.069 ( -0.639 -1.106 -21.284) 21.323 17.681 ( 1.652 2.861 8.795) 9.395 17.683 ( 1.049 1.816 9.421) 9.652 18.013 ( 3.936 6.818 -3.776) 8.731 18.057 ( 3.395 5.881 -4.678) 8.246 18.156 ( -2.963 -5.132 16.888) 17.898 18.299 ( 0.396 0.685 2.986) 3.089 18.460 ( 5.121 8.869 0.012) 10.241 18.486 ( 4.095 7.093 -0.634) 8.215 18.653 ( -1.049 -1.818 17.663) 17.787 19.122 ( -3.893 -6.744 -0.618) 7.811 19.240 ( -3.573 -6.188 3.950) 8.165 19.866 ( -11.327 -19.619 -10.389) 24.923 ======================= Grid point 133 (26/42) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 14.113 12.610 8.737) 20.845 2.449 ( 10.967 14.343 -1.445) 18.113 2.741 ( 4.302 8.400 -14.044) 16.921 2.799 ( 1.716 1.477 -2.590) 3.440 2.853 ( -0.955 0.808 -2.695) 2.971 2.933 ( 6.821 5.833 -7.337) 11.593 3.123 ( -9.014 -11.055 3.645) 14.723 3.154 ( -5.568 -11.512 3.580) 13.279 3.191 ( -1.719 -3.789 -3.443) 5.400 3.294 ( -3.569 -5.011 0.083) 6.153 3.450 ( -6.507 -11.849 -5.776) 14.701 3.583 ( -7.102 -10.050 -7.834) 14.588 4.074 ( 6.137 5.078 3.077) 8.539 4.193 ( 4.499 4.740 -1.382) 6.680 4.287 ( 5.932 10.071 13.222) 17.648 4.408 ( 6.313 9.896 5.305) 12.881 4.432 ( 7.893 11.867 5.746) 15.367 4.478 ( -7.474 -7.860 3.014) 11.257 4.563 ( -5.268 -6.150 -1.798) 8.295 4.619 ( -5.356 -8.791 -2.021) 10.491 4.819 ( -11.598 -1.946 11.436) 16.404 5.031 ( 5.782 -8.146 10.222) 14.293 5.305 ( -17.370 1.857 -7.311) 18.937 5.551 ( 10.436 -0.978 -8.638) 13.582 5.732 ( 12.354 10.624 1.472) 16.360 6.061 ( 14.431 25.335 -9.876) 30.784 6.448 ( -10.095 -0.143 5.526) 11.510 6.689 ( -4.564 6.863 -3.081) 8.799 6.791 ( -0.566 -8.857 7.152) 11.398 6.951 ( -4.155 -0.972 4.726) 6.367 7.051 ( 1.587 -8.597 5.014) 10.078 7.167 ( -7.575 -0.028 -1.537) 7.729 7.298 ( -2.937 -5.837 -4.675) 8.034 7.464 ( 1.334 -3.416 -3.027) 4.755 7.614 ( 4.458 -5.206 2.371) 7.253 7.901 ( 0.356 -2.323 -5.932) 6.381 8.924 ( 3.046 7.160 -2.180) 8.081 9.159 ( 2.729 5.804 -4.775) 7.996 9.188 ( 3.402 2.746 -4.420) 6.217 9.319 ( 0.993 1.241 2.802) 3.222 9.447 ( -2.289 0.919 1.451) 2.862 9.556 ( -2.321 2.801 3.943) 5.365 9.680 ( 1.591 4.392 -0.632) 4.713 9.730 ( 1.947 2.489 0.595) 3.215 9.847 ( -2.138 -1.634 2.933) 3.980 9.904 ( 3.053 0.451 -0.860) 3.204 10.018 ( 1.297 1.561 19.339) 19.446 10.049 ( -1.455 -2.417 12.600) 12.912 10.165 ( -2.122 -1.077 2.781) 3.660 10.460 ( -6.962 -11.148 -14.527) 19.590 10.965 ( -1.337 -2.197 21.033) 21.189 11.159 ( -0.192 -0.788 7.434) 7.478 11.280 ( -0.408 -1.259 -0.965) 1.638 11.343 ( -0.281 -2.261 -4.850) 5.359 11.468 ( -0.139 0.886 -7.471) 7.525 11.634 ( -2.990 -0.153 -10.056) 10.492 11.719 ( 0.420 -6.226 -7.028) 9.399 11.868 ( 0.967 -1.344 -10.837) 10.962 11.927 ( -0.016 -1.129 -6.417) 6.515 11.998 ( -1.876 -3.380 -10.681) 11.359 12.681 ( -0.803 3.818 12.197) 12.806 12.722 ( 0.085 -0.001 14.399) 14.400 13.100 ( -0.893 8.423 -4.924) 9.798 13.172 ( -2.116 1.718 -5.933) 6.529 13.311 ( 8.527 2.994 -7.461) 11.720 13.507 ( 3.231 2.748 -6.121) 7.447 13.596 ( 8.325 2.870 3.515) 9.482 13.873 ( 2.721 2.541 -5.311) 6.486 14.149 ( -7.721 -10.003 0.139) 12.637 14.189 ( -8.190 -12.706 -0.344) 15.120 14.316 ( -3.200 -4.620 1.777) 5.894 14.374 ( -4.865 -7.549 -0.375) 8.989 15.233 ( 4.718 6.041 3.516) 8.432 15.470 ( -3.873 -1.037 1.576) 4.308 15.548 ( -0.118 5.600 -5.451) 7.816 15.744 ( 2.788 -1.810 -10.142) 10.673 15.787 ( -0.377 -1.818 -0.236) 1.871 16.020 ( -1.052 -4.913 -15.833) 16.611 17.710 ( 0.587 1.218 11.505) 11.584 17.746 ( 3.639 1.197 13.431) 13.967 18.012 ( -5.140 -6.227 21.119) 22.610 18.087 ( -2.166 7.733 -4.027) 8.984 18.195 ( 6.155 1.988 -4.019) 7.615 18.320 ( 0.169 1.139 0.170) 1.164 18.581 ( -0.003 6.675 2.134) 7.007 18.663 ( 5.614 7.638 -0.014) 9.480 18.717 ( 8.047 3.955 3.233) 9.532 19.000 ( -3.199 -6.187 1.004) 7.037 19.123 ( -3.203 -4.102 -1.691) 5.472 19.492 ( -12.172 -16.518 -9.086) 22.440 ======================= Grid point 134 (27/42) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -0.600 1.040 1.161) 1.670 2.705 ( -9.485 -5.572 2.643) 11.314 2.705 ( 9.603 5.368 2.827) 11.359 2.814 ( -1.261 2.184 0.781) 2.640 2.836 ( -0.581 1.006 -7.410) 7.501 2.894 ( -0.125 0.216 -0.806) 0.843 3.028 ( 2.773 -4.802 3.636) 6.631 3.130 ( 3.217 -5.572 -4.718) 7.979 3.154 ( -0.335 0.580 -5.642) 5.682 3.239 ( 0.789 -1.366 -3.834) 4.146 3.331 ( 0.720 -1.247 -8.716) 8.834 3.438 ( 2.530 -4.382 -9.094) 10.407 4.199 ( 1.313 -2.275 2.591) 3.690 4.292 ( -0.317 0.549 -0.071) 0.638 4.296 ( -0.428 0.742 3.371) 3.479 4.385 ( 0.943 -1.633 4.555) 4.930 4.410 ( -1.072 1.857 -1.006) 2.368 4.467 ( -1.414 2.450 10.542) 10.915 4.547 ( 1.484 -2.570 -0.861) 3.090 4.662 ( -1.797 3.113 13.130) 13.613 4.886 ( -6.376 11.044 -3.007) 13.102 4.968 ( -4.538 7.861 2.341) 9.374 5.052 ( 4.023 -6.968 9.174) 12.203 5.609 ( 6.159 -10.667 -12.048) 17.230 6.069 ( -2.220 3.845 6.370) 7.764 6.181 ( -4.712 8.161 5.687) 11.006 6.473 ( -6.693 11.592 -8.277) 15.738 6.544 ( -8.178 14.164 -7.337) 17.926 6.767 ( 5.467 -9.469 8.930) 14.117 6.896 ( -0.723 1.253 5.180) 5.378 7.031 ( 4.821 -8.350 4.938) 10.832 7.132 ( -3.407 5.901 -3.771) 7.787 7.204 ( 2.997 -5.191 -2.063) 6.339 7.462 ( 1.897 -3.286 -1.533) 4.092 7.630 ( 4.449 -7.705 -0.091) 8.898 7.893 ( 1.604 -2.778 -6.060) 6.857 8.999 ( -2.744 4.753 -0.793) 5.545 9.153 ( 0.498 -0.863 0.012) 0.996 9.267 ( -1.327 2.298 -4.564) 5.279 9.368 ( -0.077 0.133 -2.486) 2.490 9.410 ( -0.220 0.380 6.945) 6.959 9.541 ( -3.563 6.171 3.036) 7.746 9.728 ( -1.200 2.078 2.997) 3.839 9.790 ( -1.971 3.415 -4.956) 6.333 9.808 ( 0.108 -0.186 4.441) 4.446 9.930 ( 0.555 -0.962 2.891) 3.097 10.014 ( 0.728 -1.260 -3.410) 3.707 10.072 ( -0.776 1.345 21.142) 21.199 10.134 ( -0.446 0.773 8.742) 8.787 10.319 ( 2.231 -3.865 -14.717) 15.379 10.943 ( 0.547 -0.948 22.575) 22.602 11.138 ( 2.556 -4.427 9.694) 10.959 11.268 ( 0.056 -0.096 -0.293) 0.313 11.309 ( 0.687 -1.190 -0.506) 1.464 11.508 ( -1.558 2.699 -13.620) 13.972 11.578 ( 0.777 -1.345 -14.864) 14.945 11.704 ( 2.407 -4.170 -14.839) 15.601 11.892 ( 0.334 -0.578 -5.577) 5.617 11.906 ( 0.917 -1.589 -8.087) 8.292 11.964 ( 1.217 -2.108 -8.268) 8.619 12.686 ( -1.750 3.032 14.820) 15.228 12.733 ( -1.188 2.058 15.762) 15.940 13.143 ( -3.981 6.896 -4.450) 9.122 13.152 ( -0.408 0.706 -4.097) 4.178 13.388 ( -0.795 1.376 -8.004) 8.160 13.558 ( 1.550 -2.685 -2.392) 3.916 13.759 ( 1.888 -3.271 -1.450) 4.045 13.944 ( 0.342 -0.592 -4.408) 4.460 13.959 ( 3.501 -6.064 0.643) 7.032 14.022 ( 1.294 -2.242 -1.471) 2.977 14.260 ( 1.292 -2.238 0.824) 2.713 14.293 ( 0.781 -1.352 -0.037) 1.562 15.320 ( -0.974 1.687 3.807) 4.276 15.413 ( 0.011 -0.020 2.140) 2.140 15.567 ( -3.986 6.904 -3.642) 8.764 15.770 ( 0.744 -1.289 0.554) 1.588 15.780 ( 1.503 -2.603 -16.935) 17.200 15.975 ( 2.939 -5.091 -10.777) 12.276 17.721 ( -0.203 0.351 11.784) 11.791 17.805 ( 1.238 -2.145 20.359) 20.509 17.913 ( 0.835 -1.446 15.669) 15.758 18.107 ( -3.962 6.863 -3.883) 8.825 18.268 ( -0.214 0.371 -1.612) 1.668 18.318 ( 0.486 -0.841 -2.974) 3.129 18.609 ( -3.484 6.034 2.810) 7.513 18.770 ( -1.377 2.384 -1.292) 3.041 18.881 ( -0.136 0.236 1.049) 1.084 18.882 ( 1.555 -2.694 3.583) 4.745 19.152 ( 1.591 -2.755 -6.940) 7.635 19.199 ( 3.498 -6.058 -6.832) 9.778 ======================= Grid point 144 (28/42) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 6.322 10.951 7.263) 14.582 2.663 ( 4.119 7.135 -0.605) 8.261 2.768 ( -2.974 -5.151 1.483) 6.130 2.844 ( 1.046 1.811 -6.838) 7.151 2.866 ( -1.132 -1.961 -1.063) 2.501 2.910 ( -1.584 -2.744 1.498) 3.505 2.961 ( -3.822 -6.621 5.334) 9.322 3.050 ( 1.609 2.787 -7.792) 8.431 3.173 ( -0.294 -0.509 -4.250) 4.290 3.251 ( 0.297 0.514 -5.414) 5.447 3.294 ( -1.534 -2.658 -8.715) 9.239 3.401 ( -4.938 -8.554 -9.355) 13.604 4.161 ( 1.950 3.378 2.905) 4.863 4.276 ( 1.955 3.386 -1.380) 4.147 4.341 ( -1.191 -2.064 3.523) 4.253 4.341 ( -2.595 -4.495 3.252) 6.125 4.469 ( -2.552 -4.421 -1.516) 5.325 4.470 ( 0.386 0.669 2.467) 2.585 4.527 ( 4.109 7.118 9.701) 12.715 4.739 ( -4.513 -7.816 12.008) 15.022 4.893 ( 3.223 5.583 8.688) 10.818 4.929 ( 8.734 15.129 2.381) 17.631 5.299 ( -5.219 -9.040 -8.912) 13.725 5.363 ( -4.109 -7.118 -5.901) 10.118 6.060 ( 9.845 17.053 8.228) 21.341 6.395 ( -0.847 -1.467 6.322) 6.545 6.557 ( 10.754 18.626 -7.654) 22.829 6.563 ( -6.060 -10.496 8.896) 15.034 6.803 ( 1.022 1.770 -3.996) 4.488 6.916 ( -2.646 -4.583 2.678) 5.931 6.955 ( -0.050 -0.086 3.460) 3.461 7.087 ( -4.680 -8.106 -2.690) 9.738 7.241 ( 0.633 1.097 -5.522) 5.665 7.359 ( -2.963 -5.132 -6.502) 8.797 7.569 ( -0.274 -0.475 5.322) 5.350 7.862 ( -0.748 -1.295 -5.391) 5.595 9.048 ( 3.013 5.218 0.106) 6.026 9.143 ( -1.610 -2.788 0.238) 3.228 9.304 ( 2.617 4.532 -5.178) 7.362 9.347 ( 0.802 1.390 1.061) 1.924 9.419 ( -1.530 -2.649 6.123) 6.845 9.613 ( 0.877 1.518 4.331) 4.672 9.743 ( 2.127 3.685 6.676) 7.916 9.800 ( 0.945 1.636 3.530) 4.004 9.865 ( 1.318 2.283 -0.030) 2.637 9.902 ( 0.204 0.354 -4.540) 4.558 9.987 ( -2.297 -3.978 -0.787) 4.660 10.085 ( 2.521 4.366 14.671) 15.513 10.147 ( -0.590 -1.021 10.330) 10.397 10.284 ( -3.508 -6.077 -17.904) 19.230 10.934 ( -0.494 -0.856 22.199) 22.221 11.089 ( -2.162 -3.745 10.991) 11.811 11.266 ( 0.181 0.313 1.274) 1.324 11.298 ( -1.232 -2.134 -1.933) 3.131 11.528 ( 2.379 4.120 -16.002) 16.694 11.599 ( -1.830 -3.170 -9.460) 10.144 11.633 ( -1.502 -2.602 -19.235) 19.469 11.873 ( 1.048 1.816 -7.547) 7.833 11.912 ( -0.510 -0.883 -5.733) 5.823 11.931 ( -1.679 -2.908 -9.744) 10.307 12.731 ( 0.793 1.374 16.566) 16.642 12.746 ( 0.730 1.265 16.904) 16.967 13.155 ( 0.518 0.897 -2.726) 2.916 13.256 ( 2.097 3.632 -4.037) 5.822 13.348 ( -0.141 -0.245 -7.693) 7.699 13.577 ( 1.746 3.024 -9.131) 9.776 13.673 ( 4.031 6.981 5.047) 9.511 13.909 ( -7.368 -12.762 1.117) 14.779 13.924 ( 1.734 3.003 -4.998) 6.083 14.018 ( -3.476 -6.021 -2.735) 7.471 14.231 ( -1.903 -3.296 1.164) 3.979 14.288 ( -0.951 -1.648 -0.760) 2.049 15.333 ( 2.438 4.223 3.288) 5.881 15.415 ( -1.860 -3.222 2.721) 4.609 15.684 ( 3.124 5.411 -9.651) 11.497 15.717 ( 0.123 0.213 -10.365) 10.368 15.758 ( -0.611 -1.058 -0.811) 1.467 15.912 ( -3.092 -5.355 -9.591) 11.412 17.739 ( 0.776 1.344 15.242) 15.321 17.764 ( 0.374 0.648 16.637) 16.654 17.902 ( -2.279 -3.948 16.273) 16.899 18.217 ( 1.907 3.302 -3.268) 5.022 18.232 ( 2.015 3.491 -4.560) 6.086 18.311 ( -1.315 -2.277 -2.286) 3.484 18.717 ( 3.295 5.708 1.739) 6.816 18.745 ( 1.983 3.435 4.066) 5.680 18.875 ( -3.952 -6.845 2.632) 8.330 18.876 ( 5.916 10.247 -3.829) 12.436 19.061 ( -0.935 -1.620 -4.964) 5.304 19.190 ( -7.983 -13.827 -7.001) 17.433 ======================= Grid point 218 (29/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 -0.000 -30.007) 30.007 1.490 ( 0.000 0.000 -30.007) 30.007 1.490 ( -0.000 0.000 30.007) 30.007 1.490 ( 0.000 0.000 30.007) 30.007 2.658 ( 0.000 0.000 -54.186) 54.186 2.658 ( 0.000 0.000 54.186) 54.186 2.727 ( 0.000 0.000 -5.558) 5.558 2.727 ( 0.000 -0.000 5.558) 5.558 3.428 ( 0.000 0.000 -6.654) 6.654 3.428 ( -0.000 -0.000 6.654) 6.654 3.633 ( 0.000 -0.000 -6.501) 6.501 3.633 ( -0.000 -0.000 -6.501) 6.501 3.633 ( 0.000 0.000 6.501) 6.501 3.633 ( 0.000 0.000 6.501) 6.501 4.744 ( -0.000 0.000 -0.574) 0.574 4.744 ( 0.000 0.000 -0.574) 0.574 4.744 ( 0.000 0.000 0.574) 0.574 4.744 ( 0.000 -0.000 0.574) 0.574 5.213 ( 0.000 0.000 -1.894) 1.894 5.213 ( -0.000 -0.000 -1.894) 1.894 5.213 ( -0.000 -0.000 1.894) 1.894 5.213 ( 0.000 0.000 1.894) 1.894 5.489 ( 0.000 -0.000 -1.828) 1.828 5.489 ( -0.000 0.000 -1.828) 1.828 5.489 ( -0.000 0.000 1.828) 1.828 5.489 ( 0.000 0.000 1.828) 1.828 6.834 ( 0.000 -0.000 -13.458) 13.458 6.834 ( -0.000 0.000 13.458) 13.458 7.304 ( 0.000 0.000 -0.014) 0.014 7.304 ( 0.000 0.000 0.014) 0.014 7.621 ( 0.000 0.000 -10.783) 10.783 7.621 ( -0.000 0.000 10.783) 10.783 7.645 ( 0.000 0.000 -0.153) 0.153 7.645 ( 0.000 0.000 -0.153) 0.153 7.645 ( 0.000 -0.000 0.153) 0.153 7.645 ( -0.000 0.000 0.153) 0.153 8.394 ( 0.000 -0.000 -22.699) 22.699 8.394 ( 0.000 -0.000 22.699) 22.699 9.285 ( 0.000 -0.000 -17.478) 17.478 9.285 ( 0.000 0.000 17.478) 17.478 9.731 ( 0.000 0.000 -6.464) 6.464 9.731 ( 0.000 0.000 -6.464) 6.464 9.731 ( 0.000 0.000 6.464) 6.464 9.731 ( 0.000 0.000 6.464) 6.464 9.858 ( -0.000 0.000 -7.825) 7.825 9.858 ( 0.000 0.000 -7.825) 7.825 9.858 ( 0.000 -0.000 7.825) 7.825 9.858 ( 0.000 -0.000 7.825) 7.825 10.383 ( -0.000 -0.000 -7.252) 7.252 10.383 ( -0.000 0.000 -7.252) 7.252 10.383 ( 0.000 -0.000 7.252) 7.252 10.383 ( 0.000 0.000 7.252) 7.252 11.722 ( -0.000 -0.000 -14.420) 14.420 11.722 ( 0.000 -0.000 -14.420) 14.420 11.722 ( 0.000 -0.000 14.420) 14.420 11.722 ( -0.000 -0.000 14.420) 14.420 12.234 ( 0.000 0.000 -22.266) 22.266 12.234 ( -0.000 0.000 22.266) 22.266 12.274 ( 0.000 0.000 -3.040) 3.040 12.274 ( 0.000 -0.000 -3.040) 3.040 12.274 ( 0.000 0.000 3.040) 3.040 12.274 ( 0.000 0.000 3.040) 3.040 12.452 ( 0.000 -0.000 -25.773) 25.773 12.452 ( 0.000 0.000 25.773) 25.773 13.520 ( 0.000 -0.000 -9.200) 9.200 13.520 ( 0.000 -0.000 -9.200) 9.200 13.520 ( 0.000 0.000 9.200) 9.200 13.520 ( -0.000 -0.000 9.200) 9.200 14.179 ( 0.000 0.000 -1.150) 1.150 14.179 ( -0.000 0.000 1.150) 1.150 15.119 ( 0.000 0.000 -0.061) 0.061 15.119 ( 0.000 0.000 -0.061) 0.061 15.119 ( 0.000 0.000 0.061) 0.061 15.119 ( 0.000 0.000 0.061) 0.061 15.630 ( 0.000 0.000 -5.062) 5.062 15.630 ( 0.000 0.000 5.062) 5.062 15.692 ( 0.000 0.000 -9.262) 9.262 15.692 ( -0.000 0.000 9.262) 9.262 17.583 ( 0.000 0.000 -0.637) 0.637 17.583 ( 0.000 -0.000 -0.637) 0.637 17.583 ( 0.000 0.000 0.637) 0.637 17.583 ( 0.000 0.000 0.637) 0.637 18.182 ( 0.000 -0.000 -0.755) 0.755 18.182 ( 0.000 0.000 -0.755) 0.755 18.182 ( -0.000 0.000 0.755) 0.755 18.182 ( 0.000 0.000 0.755) 0.755 19.373 ( -0.000 -0.000 -1.388) 1.388 19.373 ( -0.000 0.000 1.388) 1.388 20.940 ( 0.000 0.000 -1.085) 1.085 20.940 ( 0.000 0.000 1.085) 1.085 ======================= Grid point 220 (30/42) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 1.336 0.771 -31.885) 31.922 1.484 ( 1.336 0.771 31.885) 31.922 1.590 ( 8.807 5.085 -27.650) 29.461 1.590 ( 8.807 5.085 27.650) 29.461 2.739 ( 1.058 0.611 -5.298) 5.437 2.739 ( 1.058 0.611 5.298) 5.437 2.866 ( 16.119 9.306 -42.713) 46.592 2.866 ( 16.119 9.306 42.713) 46.592 3.382 ( -1.350 -0.779 -5.873) 6.076 3.382 ( -1.350 -0.779 5.873) 6.076 3.668 ( 3.113 1.797 -6.127) 7.103 3.668 ( 3.113 1.797 6.127) 7.103 3.846 ( 16.356 9.443 -2.976) 19.119 3.846 ( 16.356 9.443 2.976) 19.119 4.581 ( -13.297 -7.677 -1.206) 15.401 4.581 ( -13.297 -7.677 1.206) 15.401 4.606 ( -10.691 -6.173 -1.471) 12.433 4.606 ( -10.691 -6.173 1.471) 12.433 5.228 ( -1.582 -0.913 -8.808) 8.995 5.228 ( -1.582 -0.913 8.808) 8.995 5.268 ( 3.419 1.974 -7.493) 8.469 5.268 ( 3.419 1.974 7.493) 8.469 5.383 ( -7.600 -4.388 -1.187) 8.855 5.383 ( -7.600 -4.388 1.187) 8.855 5.424 ( -4.979 -2.875 -0.716) 5.794 5.424 ( -4.979 -2.875 0.716) 5.794 6.760 ( -5.914 -3.414 -10.375) 12.421 6.760 ( -5.914 -3.414 10.375) 12.421 7.289 ( -1.811 -1.045 -0.328) 2.116 7.289 ( -1.811 -1.045 0.328) 2.116 7.494 ( -5.815 -3.357 -1.595) 6.902 7.494 ( -5.815 -3.357 1.595) 6.902 7.604 ( -3.179 -1.835 -1.096) 3.831 7.604 ( -3.179 -1.835 1.096) 3.831 7.701 ( 2.165 1.250 -2.787) 3.744 7.701 ( 2.165 1.250 2.787) 3.744 8.414 ( 2.009 1.160 -17.313) 17.468 8.414 ( 2.009 1.160 17.313) 17.468 9.209 ( -4.872 -2.813 -12.245) 13.476 9.209 ( -4.872 -2.813 12.245) 13.476 9.694 ( -3.462 -1.999 -2.765) 4.861 9.694 ( -3.462 -1.999 2.765) 4.861 9.738 ( 0.510 0.294 -4.288) 4.328 9.738 ( 0.510 0.294 4.288) 4.328 9.889 ( 1.991 1.150 -7.083) 7.447 9.889 ( 1.991 1.150 7.083) 7.447 10.071 ( 13.661 7.887 -9.552) 18.441 10.071 ( 13.661 7.887 9.552) 18.441 10.427 ( 3.910 2.258 -2.449) 5.137 10.427 ( 3.910 2.258 2.449) 5.137 10.511 ( 10.482 6.052 -6.204) 13.601 10.511 ( 10.482 6.052 6.204) 13.601 11.604 ( -9.053 -5.227 -15.008) 18.290 11.604 ( -9.053 -5.227 15.008) 18.290 11.712 ( -1.126 -0.650 -14.333) 14.392 11.712 ( -1.126 -0.650 14.333) 14.392 12.156 ( -5.127 -2.960 -8.432) 10.302 12.156 ( -5.127 -2.960 8.432) 10.302 12.201 ( -4.983 -2.877 -5.581) 8.016 12.201 ( -4.983 -2.877 5.581) 8.016 12.348 ( 4.726 2.729 -6.869) 8.773 12.348 ( 4.726 2.729 6.869) 8.773 12.565 ( 7.716 4.455 -20.949) 22.765 12.565 ( 7.716 4.455 20.949) 22.765 13.447 ( -5.214 -3.010 -9.522) 11.265 13.447 ( -5.214 -3.010 9.522) 11.265 13.531 ( 1.071 0.618 -8.960) 9.045 13.531 ( 1.071 0.618 8.960) 9.045 14.369 ( 14.256 8.231 -4.671) 17.111 14.369 ( 14.256 8.231 4.671) 17.111 15.027 ( -7.409 -4.278 -1.343) 8.660 15.027 ( -7.409 -4.278 1.343) 8.660 15.055 ( -5.295 -3.057 -0.972) 6.191 15.055 ( -5.295 -3.057 0.972) 6.191 15.662 ( 1.932 1.116 -3.056) 3.784 15.662 ( 1.932 1.116 3.056) 3.784 15.738 ( 3.492 2.016 -6.328) 7.504 15.738 ( 3.492 2.016 6.328) 7.504 17.611 ( 2.530 1.461 -0.390) 2.947 17.611 ( 2.530 1.461 0.390) 2.947 17.624 ( 3.614 2.087 -0.955) 4.281 17.624 ( 3.614 2.087 0.955) 4.281 18.194 ( 0.956 0.552 -0.010) 1.104 18.194 ( 0.956 0.552 0.010) 1.104 18.204 ( 2.110 1.218 -0.474) 2.482 18.204 ( 2.110 1.218 0.474) 2.482 19.344 ( -2.659 -1.535 -2.114) 3.728 19.344 ( -2.659 -1.535 2.114) 3.728 20.685 ( -20.251 -11.692 -11.700) 26.147 20.685 ( -20.251 -11.692 11.700) 26.147 ======================= Grid point 222 (31/42) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 10.886 6.285 -25.760) 28.664 1.616 ( 10.886 6.285 25.760) 28.664 1.861 ( 15.039 8.683 -22.425) 28.362 1.861 ( 15.039 8.683 22.425) 28.362 2.771 ( 1.679 0.969 -4.466) 4.869 2.771 ( 1.679 0.969 4.466) 4.869 3.179 ( 6.551 3.782 -8.927) 11.701 3.179 ( 6.551 3.782 8.927) 11.701 3.482 ( 13.989 8.077 -12.291) 20.298 3.482 ( 13.989 8.077 12.291) 20.298 3.767 ( 5.622 3.246 -5.043) 8.220 3.767 ( 5.622 3.246 5.043) 8.220 4.215 ( -15.596 -9.004 -4.277) 18.510 4.215 ( -15.596 -9.004 4.277) 18.510 4.259 ( 2.536 1.464 -0.285) 2.942 4.259 ( 2.536 1.464 0.285) 2.942 4.364 ( 3.841 2.218 -2.862) 5.279 4.364 ( 3.841 2.218 2.862) 5.279 5.038 ( -12.883 -7.438 -3.493) 15.280 5.038 ( -12.883 -7.438 3.493) 15.280 5.176 ( -9.666 -5.581 -3.349) 11.653 5.176 ( -9.666 -5.581 3.349) 11.653 5.301 ( -3.673 -2.121 -1.323) 4.443 5.301 ( -3.673 -2.121 1.323) 4.443 5.403 ( 3.547 2.048 -9.498) 10.343 5.403 ( 3.547 2.048 9.498) 10.343 6.627 ( -5.133 -2.963 -7.142) 9.281 6.627 ( -5.133 -2.963 7.142) 9.281 7.196 ( -6.468 -3.734 -0.183) 7.471 7.196 ( -6.468 -3.734 0.183) 7.471 7.419 ( -1.699 -0.981 -1.623) 2.546 7.419 ( -1.699 -0.981 1.623) 2.546 7.527 ( -3.260 -1.882 -1.672) 4.119 7.527 ( -3.260 -1.882 1.672) 4.119 7.747 ( 1.963 1.133 -3.531) 4.196 7.747 ( 1.963 1.133 3.531) 4.196 8.495 ( 5.417 3.127 -6.984) 9.376 8.495 ( 5.417 3.127 6.984) 9.376 9.129 ( -1.654 -0.955 -4.648) 5.025 9.129 ( -1.654 -0.955 4.648) 5.025 9.598 ( -4.724 -2.727 -1.549) 5.670 9.598 ( -4.724 -2.727 1.549) 5.670 9.732 ( -1.201 -0.693 -4.252) 4.473 9.732 ( -1.201 -0.693 4.252) 4.473 9.921 ( 0.640 0.369 -8.589) 8.620 9.921 ( 0.640 0.369 8.589) 8.620 10.311 ( 7.250 4.186 -21.687) 23.247 10.311 ( 7.250 4.186 21.687) 23.247 10.546 ( 6.285 3.629 -10.422) 12.700 10.546 ( 6.285 3.629 10.422) 12.700 10.749 ( 7.946 4.587 -13.915) 16.668 10.749 ( 7.946 4.587 13.915) 16.668 11.407 ( -6.529 -3.770 -13.036) 15.059 11.407 ( -6.529 -3.770 13.036) 15.059 11.664 ( -3.174 -1.832 -13.004) 13.510 11.664 ( -3.174 -1.832 13.004) 13.510 12.017 ( -7.148 -4.127 -3.123) 8.825 12.017 ( -7.148 -4.127 3.123) 8.825 12.079 ( -5.782 -3.338 -4.173) 7.873 12.079 ( -5.782 -3.338 4.173) 7.873 12.474 ( 6.431 3.713 -2.750) 7.918 12.474 ( 6.431 3.713 2.750) 7.918 12.742 ( 8.104 4.679 -12.973) 15.996 12.742 ( 8.104 4.679 12.973) 15.996 13.330 ( -4.886 -2.821 -9.078) 10.688 13.330 ( -4.886 -2.821 9.078) 10.688 13.569 ( 2.383 1.376 -8.287) 8.732 13.569 ( 2.383 1.376 8.287) 8.732 14.655 ( 6.341 3.661 -4.502) 8.595 14.655 ( 6.341 3.661 4.502) 8.595 14.829 ( -9.878 -5.703 -2.991) 11.791 14.829 ( -9.878 -5.703 2.991) 11.791 14.947 ( -0.520 -0.300 -1.573) 1.684 14.947 ( -0.520 -0.300 1.573) 1.684 15.682 ( -0.478 -0.276 -0.162) 0.575 15.682 ( -0.478 -0.276 0.162) 0.575 15.815 ( 2.971 1.715 -0.925) 3.553 15.815 ( 2.971 1.715 0.925) 3.553 17.690 ( 4.334 2.502 -0.860) 5.078 17.690 ( 4.334 2.502 0.860) 5.078 17.734 ( 6.125 3.537 -5.566) 9.000 17.734 ( 6.125 3.537 5.566) 9.000 18.220 ( 1.322 0.763 -0.640) 1.655 18.220 ( 1.322 0.763 0.640) 1.655 18.282 ( 4.957 2.862 -1.946) 6.045 18.282 ( 4.957 2.862 1.946) 6.045 19.253 ( -5.549 -3.203 -4.229) 7.677 19.253 ( -5.549 -3.203 4.229) 7.677 20.178 ( -23.254 -13.426 -23.352) 35.585 20.178 ( -23.254 -13.426 23.352) 35.585 ======================= Grid point 224 (32/42) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 16.888 9.750 -14.626) 24.376 1.936 ( 16.888 9.750 14.626) 24.376 2.234 ( 18.188 10.501 -17.049) 27.051 2.234 ( 18.188 10.501 17.049) 27.051 2.804 ( 1.019 0.588 -2.911) 3.140 2.804 ( 1.019 0.588 2.911) 3.140 3.211 ( -0.906 -0.523 -3.225) 3.390 3.211 ( -0.906 -0.523 3.225) 3.390 3.754 ( -9.383 -5.417 -3.778) 11.474 3.754 ( -9.383 -5.417 3.778) 11.474 3.875 ( -8.313 -4.799 -5.333) 10.981 3.875 ( -8.313 -4.799 5.333) 10.981 3.936 ( 14.253 8.229 -8.675) 18.604 3.936 ( 14.253 8.229 8.675) 18.604 4.016 ( -3.516 -2.030 -2.159) 4.598 4.016 ( -3.516 -2.030 2.159) 4.598 4.710 ( -4.698 -2.712 -0.296) 5.432 4.710 ( -4.698 -2.712 0.296) 5.432 4.830 ( 0.049 0.029 -3.204) 3.204 4.830 ( 0.049 0.029 3.204) 3.204 4.998 ( 3.196 1.845 -2.327) 4.364 4.998 ( 3.196 1.845 2.327) 4.364 5.197 ( -3.553 -2.052 -5.503) 6.865 5.197 ( -3.553 -2.052 5.503) 6.865 5.481 ( 3.338 1.927 -11.919) 12.527 5.481 ( 3.338 1.927 11.919) 12.527 6.537 ( -3.681 -2.125 -4.937) 6.514 6.537 ( -3.681 -2.125 4.937) 6.514 7.036 ( -7.083 -4.089 -1.623) 8.338 7.036 ( -7.083 -4.089 1.623) 8.338 7.343 ( -5.621 -3.245 -2.132) 6.832 7.343 ( -5.621 -3.245 2.132) 6.832 7.498 ( 0.591 0.341 -2.013) 2.126 7.498 ( 0.591 0.341 2.013) 2.126 7.782 ( 1.080 0.624 -4.391) 4.564 7.782 ( 1.080 0.624 4.391) 4.564 8.654 ( 8.789 5.074 -2.490) 10.450 8.654 ( 8.789 5.074 2.490) 10.450 9.141 ( 2.412 1.393 -1.754) 3.292 9.141 ( 2.412 1.393 1.754) 3.292 9.501 ( -3.655 -2.110 -0.086) 4.222 9.501 ( -3.655 -2.110 0.086) 4.222 9.692 ( -2.153 -1.243 -6.822) 7.261 9.692 ( -2.153 -1.243 6.822) 7.261 9.912 ( -1.376 -0.795 -9.060) 9.198 9.912 ( -1.376 -0.795 9.060) 9.198 10.383 ( -1.398 -0.807 -20.386) 20.450 10.383 ( -1.398 -0.807 20.386) 20.450 10.672 ( 4.012 2.317 -23.054) 23.515 10.672 ( 4.012 2.317 23.054) 23.515 10.796 ( -1.080 -0.624 -29.694) 29.720 10.796 ( -1.080 -0.624 29.694) 29.720 11.382 ( 2.955 1.706 -9.535) 10.127 11.382 ( 2.955 1.706 9.535) 10.127 11.581 ( -4.025 -2.324 -7.335) 8.684 11.581 ( -4.025 -2.324 7.335) 8.684 11.858 ( -6.532 -3.771 -3.223) 8.202 11.858 ( -6.532 -3.771 3.223) 8.202 11.952 ( -5.529 -3.192 -1.861) 6.651 11.952 ( -5.529 -3.192 1.861) 6.651 12.616 ( 6.074 3.507 -2.534) 7.457 12.616 ( 6.074 3.507 2.534) 7.457 12.925 ( 7.482 4.320 -1.515) 8.771 12.925 ( 7.482 4.320 1.515) 8.771 13.252 ( -1.116 -0.645 -6.911) 7.031 13.252 ( -1.116 -0.645 6.911) 7.031 13.640 ( 4.022 2.322 -7.187) 8.557 13.640 ( 4.022 2.322 7.187) 8.557 14.547 ( -11.049 -6.379 -2.701) 13.041 14.547 ( -11.049 -6.379 2.701) 13.041 14.610 ( -9.506 -5.489 -3.652) 11.569 14.610 ( -9.506 -5.489 3.652) 11.569 15.109 ( 10.131 5.849 -7.874) 14.102 15.109 ( 10.131 5.849 7.874) 14.102 15.640 ( -3.052 -1.762 -2.056) 4.080 15.640 ( -3.052 -1.762 2.056) 4.080 15.860 ( 1.085 0.626 -3.170) 3.409 15.860 ( 1.085 0.626 3.170) 3.409 17.786 ( 3.968 2.291 -2.157) 5.064 17.786 ( 3.968 2.291 2.157) 5.064 17.886 ( 7.387 4.265 -10.313) 13.384 17.886 ( 7.387 4.265 10.313) 13.384 18.248 ( 1.075 0.621 -0.999) 1.594 18.248 ( 1.075 0.621 0.999) 1.594 18.422 ( 7.501 4.331 -1.680) 8.823 18.422 ( 7.501 4.331 1.680) 8.823 19.104 ( -7.428 -4.289 -7.739) 11.552 19.104 ( -7.428 -4.289 7.739) 11.552 19.704 ( -19.121 -11.040 -23.183) 32.015 19.704 ( -19.121 -11.040 23.183) 32.015 ======================= Grid point 226 (33/42) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 16.247 9.380 -7.023) 20.032 2.316 ( 16.247 9.380 7.023) 20.032 2.643 ( 17.414 10.054 -12.187) 23.513 2.643 ( 17.414 10.054 12.187) 23.513 2.798 ( -1.343 -0.776 -1.234) 1.982 2.798 ( -1.343 -0.776 1.234) 1.982 3.181 ( -1.134 -0.655 -3.357) 3.603 3.181 ( -1.134 -0.655 3.357) 3.603 3.444 ( -13.363 -7.715 -3.032) 15.726 3.444 ( -13.363 -7.715 3.032) 15.726 3.544 ( -16.033 -9.257 -3.854) 18.911 3.544 ( -16.033 -9.257 3.854) 18.911 4.130 ( 8.231 4.752 -2.459) 9.817 4.130 ( 8.231 4.752 2.459) 9.817 4.315 ( 14.113 8.148 -0.871) 16.320 4.315 ( 14.113 8.148 0.871) 16.320 4.527 ( -6.704 -3.870 -0.134) 7.742 4.527 ( -6.704 -3.870 0.134) 7.742 4.653 ( -8.466 -4.888 -2.629) 10.123 4.653 ( -8.466 -4.888 2.629) 10.123 4.954 ( -9.067 -5.235 -7.705) 12.999 4.954 ( -9.067 -5.235 7.705) 12.999 5.436 ( 9.464 5.464 -11.328) 15.739 5.436 ( 9.464 5.464 11.328) 15.739 5.622 ( 15.471 8.932 -6.663) 19.066 5.622 ( 15.471 8.932 6.663) 19.066 6.396 ( -10.578 -6.107 -0.635) 12.231 6.396 ( -10.578 -6.107 0.635) 12.231 6.935 ( -1.049 -0.606 -2.148) 2.466 6.935 ( -1.049 -0.606 2.148) 2.466 7.199 ( -6.679 -3.856 -0.164) 7.714 7.199 ( -6.679 -3.856 0.164) 7.714 7.520 ( 0.927 0.535 -2.050) 2.313 7.520 ( 0.927 0.535 2.050) 2.313 7.798 ( 0.447 0.258 -4.396) 4.426 7.798 ( 0.447 0.258 4.396) 4.426 8.862 ( 8.878 5.125 -9.273) 13.823 8.862 ( 8.878 5.125 9.273) 13.823 9.207 ( 2.636 1.522 -4.553) 5.477 9.207 ( 2.636 1.522 4.553) 5.477 9.452 ( -0.339 -0.196 -3.607) 3.628 9.452 ( -0.339 -0.196 3.607) 3.628 9.639 ( -2.802 -1.618 -11.723) 12.161 9.639 ( -2.802 -1.618 11.723) 12.161 9.880 ( -0.709 -0.409 -7.891) 7.933 9.880 ( -0.709 -0.409 7.891) 7.933 10.242 ( -9.477 -5.472 -16.460) 19.766 10.242 ( -9.477 -5.472 16.460) 19.766 10.725 ( 2.323 1.341 -30.396) 30.514 10.725 ( 2.323 1.341 30.396) 30.514 10.818 ( 1.678 0.969 -36.199) 36.251 10.818 ( 1.678 0.969 36.199) 36.251 11.423 ( -0.842 -0.486 -3.682) 3.808 11.423 ( -0.842 -0.486 3.682) 3.808 11.511 ( -1.356 -0.783 -8.919) 9.055 11.511 ( -1.356 -0.783 8.919) 9.055 11.759 ( -1.881 -1.086 -8.308) 8.588 11.759 ( -1.881 -1.086 8.308) 8.588 11.841 ( -4.326 -2.497 -0.778) 5.055 11.841 ( -4.326 -2.497 0.778) 5.055 12.746 ( 5.725 3.305 -6.856) 9.523 12.746 ( 5.725 3.305 6.856) 9.523 12.983 ( -2.289 -1.321 -10.279) 10.613 12.983 ( -2.289 -1.321 10.279) 10.613 13.344 ( 8.146 4.703 -8.982) 13.006 13.344 ( 8.146 4.703 8.982) 13.006 13.750 ( 5.995 3.461 -5.830) 9.051 13.750 ( 5.995 3.461 5.830) 9.051 14.275 ( -12.576 -7.261 -3.061) 14.841 14.275 ( -12.576 -7.261 3.061) 14.841 14.420 ( -7.059 -4.076 -2.976) 8.678 14.420 ( -7.059 -4.076 2.976) 8.678 15.307 ( 7.421 4.285 -5.823) 10.361 15.307 ( 7.421 4.285 5.823) 10.361 15.557 ( -4.247 -2.452 -4.382) 6.577 15.557 ( -4.247 -2.452 4.382) 6.577 15.871 ( 0.120 0.069 -5.233) 5.235 15.871 ( 0.120 0.069 5.233) 5.235 17.855 ( 2.113 1.220 -2.081) 3.207 17.855 ( 2.113 1.220 2.081) 3.207 18.052 ( 7.186 4.149 -11.128) 13.882 18.052 ( 7.186 4.149 11.128) 13.882 18.257 ( -0.567 -0.327 -3.103) 3.171 18.257 ( -0.567 -0.327 3.103) 3.171 18.588 ( 6.267 3.618 -1.975) 7.502 18.588 ( 6.267 3.618 1.975) 7.502 18.966 ( -3.269 -1.887 -10.232) 10.906 18.966 ( -3.269 -1.887 10.232) 10.906 19.331 ( -14.528 -8.388 -16.145) 23.282 19.331 ( -14.528 -8.388 16.145) 23.282 ======================= Grid point 228 (34/42) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.000 0.000 -3.623) 3.623 2.581 ( -0.000 -0.000 3.623) 3.623 2.674 ( 0.000 0.000 -1.899) 1.899 2.674 ( 0.000 0.000 1.899) 1.899 3.037 ( 0.000 0.000 -8.855) 8.855 3.037 ( 0.000 0.000 8.855) 8.855 3.119 ( -0.000 -0.000 -10.482) 10.482 3.119 ( 0.000 0.000 10.482) 10.482 3.190 ( 0.000 0.000 -3.785) 3.785 3.190 ( 0.000 0.000 3.785) 3.785 3.346 ( 0.000 0.000 -7.069) 7.069 3.346 ( 0.000 0.000 7.069) 7.069 4.300 ( -0.000 -0.000 -0.613) 0.613 4.300 ( 0.000 0.000 0.613) 0.613 4.338 ( -0.000 -0.000 -2.057) 2.057 4.338 ( 0.000 0.000 2.057) 2.057 4.511 ( 0.000 0.000 -4.364) 4.364 4.511 ( -0.000 -0.000 4.364) 4.364 4.625 ( -0.000 -0.000 -4.922) 4.922 4.625 ( -0.000 -0.000 4.922) 4.922 4.779 ( 0.000 0.000 -3.682) 3.682 4.779 ( 0.000 0.000 3.682) 3.682 5.498 ( 0.000 0.000 -13.815) 13.815 5.498 ( 0.000 0.000 13.815) 13.815 6.054 ( -0.000 -0.000 -2.909) 2.909 6.054 ( 0.000 0.000 2.909) 2.909 6.065 ( 0.000 0.000 -2.100) 2.100 6.065 ( -0.000 -0.000 2.100) 2.100 6.953 ( 0.000 0.000 -2.048) 2.048 6.953 ( 0.000 0.000 2.048) 2.048 7.098 ( 0.000 0.000 -4.831) 4.831 7.098 ( 0.000 0.000 4.831) 4.831 7.531 ( 0.000 0.000 -1.865) 1.865 7.531 ( 0.000 0.000 1.865) 1.865 7.803 ( 0.000 0.000 -4.249) 4.249 7.803 ( 0.000 0.000 4.249) 4.249 8.978 ( 0.000 0.000 -11.940) 11.940 8.978 ( 0.000 0.000 11.940) 11.940 9.234 ( 0.000 0.000 -4.150) 4.150 9.234 ( 0.000 0.000 4.150) 4.150 9.471 ( 0.000 0.000 -5.855) 5.855 9.471 ( 0.000 0.000 5.855) 5.855 9.587 ( -0.000 -0.000 -14.502) 14.502 9.587 ( -0.000 -0.000 14.502) 14.502 9.888 ( 0.000 0.000 -7.938) 7.938 9.888 ( 0.000 0.000 7.938) 7.938 10.098 ( 0.000 0.000 -14.689) 14.689 10.098 ( -0.000 -0.000 14.689) 14.689 10.765 ( -0.000 -0.000 -31.510) 31.510 10.765 ( 0.000 0.000 31.510) 31.510 10.832 ( 0.000 0.000 -38.713) 38.713 10.832 ( 0.000 0.000 38.713) 38.713 11.395 ( 0.000 0.000 -0.201) 0.201 11.395 ( 0.000 0.000 0.201) 0.201 11.503 ( 0.000 0.000 -13.553) 13.553 11.503 ( 0.000 0.000 13.553) 13.553 11.763 ( 0.000 0.000 -2.634) 2.634 11.763 ( -0.000 -0.000 2.634) 2.634 11.772 ( -0.000 -0.000 -6.203) 6.203 11.772 ( 0.000 0.000 6.203) 6.203 12.847 ( 0.000 0.000 -8.644) 8.644 12.847 ( 0.000 0.000 8.644) 8.644 12.913 ( -0.000 -0.000 -10.607) 10.607 12.913 ( -0.000 -0.000 10.607) 10.607 13.462 ( 0.000 0.000 -12.976) 12.976 13.462 ( 0.000 0.000 12.976) 12.976 13.867 ( 0.000 0.000 -4.805) 4.805 13.867 ( 0.000 0.000 4.805) 4.805 14.073 ( 0.000 0.000 -2.343) 2.343 14.073 ( 0.000 0.000 2.343) 2.343 14.333 ( 0.000 0.000 -2.232) 2.232 14.333 ( 0.000 0.000 2.232) 2.232 15.427 ( -0.000 -0.000 -2.956) 2.956 15.427 ( -0.000 -0.000 2.956) 2.956 15.471 ( 0.000 0.000 -12.879) 12.879 15.471 ( 0.000 0.000 12.879) 12.879 15.871 ( 0.000 0.000 -5.811) 5.811 15.871 ( 0.000 0.000 5.811) 5.811 17.878 ( 0.000 0.000 -1.805) 1.805 17.878 ( 0.000 0.000 1.805) 1.805 18.167 ( 0.000 0.000 -6.240) 6.240 18.167 ( 0.000 0.000 6.240) 6.240 18.224 ( 0.000 0.000 -9.491) 9.491 18.224 ( 0.000 0.000 9.491) 9.491 18.650 ( 0.000 0.000 -6.872) 6.872 18.650 ( 0.000 0.000 6.872) 6.872 19.004 ( 0.000 0.000 -9.307) 9.307 19.004 ( 0.000 0.000 9.307) 9.307 19.096 ( 0.000 0.000 -10.736) 10.736 19.096 ( 0.000 0.000 10.736) 10.736 ======================= Grid point 242 (35/42) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 5.192 8.993 -28.849) 30.661 1.568 ( 5.192 8.993 28.849) 30.661 1.764 ( 7.292 12.631 -24.464) 28.481 1.764 ( 7.292 12.631 24.464) 28.481 2.761 ( 0.940 1.628 -4.756) 5.115 2.761 ( 0.940 1.628 4.756) 5.115 3.125 ( 7.112 12.319 -20.136) 24.654 3.125 ( 7.112 12.319 20.136) 24.654 3.418 ( 4.673 8.094 -5.172) 10.682 3.418 ( 4.673 8.094 5.172) 10.682 3.730 ( 2.619 4.536 -5.645) 7.700 3.730 ( 2.619 4.536 5.645) 7.700 4.160 ( 11.698 20.261 -1.732) 23.459 4.160 ( 11.698 20.261 1.732) 23.459 4.364 ( -9.169 -15.882 -3.411) 18.653 4.364 ( -9.169 -15.882 3.411) 18.653 4.368 ( -7.822 -13.548 -4.093) 16.171 4.368 ( -7.822 -13.548 4.093) 16.171 5.122 ( -7.025 -12.168 -4.138) 14.647 5.122 ( -7.025 -12.168 4.138) 14.647 5.227 ( -3.991 -6.913 -5.564) 9.731 5.227 ( -3.991 -6.913 5.564) 9.731 5.346 ( -1.166 -2.020 -2.024) 3.088 5.346 ( -1.166 -2.020 2.024) 3.088 5.356 ( 0.642 1.112 -7.697) 7.803 5.356 ( 0.642 1.112 7.697) 7.803 6.662 ( -3.154 -5.462 -7.762) 10.002 6.662 ( -3.154 -5.462 7.762) 10.002 7.249 ( -1.966 -3.405 -1.397) 4.173 7.249 ( -1.966 -3.405 1.397) 4.173 7.410 ( -2.518 -4.361 -3.115) 5.922 7.410 ( -2.518 -4.361 3.115) 5.922 7.545 ( -2.225 -3.853 -6.113) 7.561 7.545 ( -2.225 -3.853 6.113) 7.561 7.737 ( 1.187 2.056 -6.502) 6.922 7.737 ( 1.187 2.056 6.502) 6.922 8.468 ( 2.769 4.797 -10.041) 11.467 8.468 ( 2.769 4.797 10.041) 11.467 9.143 ( -1.596 -2.764 -6.965) 7.661 9.143 ( -1.596 -2.764 6.965) 7.661 9.667 ( -2.003 -3.469 -6.243) 7.418 9.667 ( -2.003 -3.469 6.243) 7.418 9.688 ( -1.128 -1.954 -4.875) 5.372 9.688 ( -1.128 -1.954 4.875) 5.372 9.932 ( 1.145 1.983 -7.752) 8.083 9.932 ( 1.145 1.983 7.752) 8.083 10.254 ( 4.903 8.493 -20.343) 22.584 10.254 ( 4.903 8.493 20.343) 22.584 10.510 ( 3.382 5.858 -6.746) 9.554 10.510 ( 3.382 5.858 6.746) 9.554 10.690 ( 5.771 9.995 -10.299) 15.468 10.690 ( 5.771 9.995 10.299) 15.468 11.446 ( -4.998 -8.656 -13.832) 17.066 11.446 ( -4.998 -8.656 13.832) 17.066 11.698 ( -0.820 -1.421 -14.700) 14.792 11.698 ( -0.820 -1.421 14.700) 14.792 12.065 ( -3.729 -6.459 -4.738) 8.836 12.065 ( -3.729 -6.459 4.738) 8.836 12.096 ( -3.928 -6.803 -6.340) 10.095 12.096 ( -3.928 -6.803 6.340) 10.095 12.450 ( 4.220 7.310 -3.695) 9.214 12.450 ( 4.220 7.310 3.695) 9.214 12.685 ( 4.015 6.954 -16.504) 18.353 12.685 ( 4.015 6.954 16.504) 18.353 13.362 ( -2.881 -4.990 -9.671) 11.257 13.362 ( -2.881 -4.990 9.671) 11.257 13.554 ( 1.048 1.816 -9.239) 9.474 13.554 ( 1.048 1.816 9.239) 9.474 14.598 ( 6.808 11.792 -6.303) 15.004 14.598 ( 6.808 11.792 6.303) 15.004 14.888 ( -5.407 -9.365 -2.560) 11.113 14.888 ( -5.407 -9.365 2.560) 11.113 14.962 ( -2.724 -4.718 -1.711) 5.710 14.962 ( -2.724 -4.718 1.711) 5.710 15.684 ( 0.317 0.548 -1.134) 1.298 15.684 ( 0.317 0.548 1.134) 1.298 15.794 ( 1.833 3.176 -2.537) 4.459 15.794 ( 1.833 3.176 2.537) 4.459 17.668 ( 2.512 4.351 -4.156) 6.520 17.668 ( 2.512 4.351 4.156) 6.520 17.696 ( 3.001 5.197 -4.351) 7.412 17.696 ( 3.001 5.197 4.351) 7.412 18.220 ( 1.102 1.910 -2.353) 3.225 18.220 ( 1.102 1.910 2.353) 3.225 18.247 ( 2.073 3.590 -1.760) 4.504 18.247 ( 2.073 3.590 1.760) 4.504 19.283 ( -2.787 -4.828 -3.519) 6.593 19.283 ( -2.787 -4.828 3.519) 6.593 20.318 ( -13.617 -23.585 -21.335) 34.596 20.318 ( -13.617 -23.585 21.335) 34.596 ======================= Grid point 244 (36/42) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 11.035 15.238 -19.124) 26.827 1.827 ( 11.035 15.238 19.124) 26.827 2.062 ( 13.849 11.912 -19.625) 26.811 2.062 ( 13.849 11.912 19.625) 26.811 2.797 ( 1.174 1.610 -3.552) 4.072 2.797 ( 1.174 1.610 3.552) 4.072 3.217 ( 0.000 0.230 -2.419) 2.429 3.217 ( 0.000 0.230 2.419) 2.429 3.737 ( 11.891 15.654 -13.390) 23.786 3.737 ( 11.891 15.654 13.390) 23.786 3.823 ( 3.860 0.911 -4.178) 5.761 3.823 ( 3.860 0.911 4.178) 5.761 3.993 ( -13.016 -11.107 -6.274) 18.225 3.993 ( -13.016 -11.107 6.274) 18.225 4.064 ( -7.986 -13.807 -5.527) 16.881 4.064 ( -7.986 -13.807 5.527) 16.881 4.655 ( 14.267 17.619 -3.337) 22.915 4.655 ( 14.267 17.619 3.337) 22.915 4.876 ( -6.865 -5.910 -3.877) 9.854 4.876 ( -6.865 -5.910 3.877) 9.854 5.021 ( -7.475 -10.375 -1.497) 12.875 5.021 ( -7.475 -10.375 1.497) 12.875 5.283 ( -6.117 0.433 -8.550) 10.522 5.283 ( -6.117 0.433 8.550) 10.522 5.413 ( 4.895 -1.042 -10.950) 12.040 5.413 ( 4.895 -1.042 10.950) 12.040 6.583 ( -2.569 -0.933 -6.384) 6.945 6.583 ( -2.569 -0.933 6.384) 6.945 7.138 ( -7.660 -2.426 -1.330) 8.145 7.138 ( -7.660 -2.426 1.330) 8.145 7.347 ( -0.187 -5.722 -2.471) 6.236 7.347 ( -0.187 -5.722 2.471) 6.236 7.471 ( -1.171 -4.160 -4.044) 5.919 7.471 ( -1.171 -4.160 4.044) 5.919 7.767 ( 0.839 0.473 -6.965) 7.031 7.767 ( 0.839 0.473 6.965) 7.031 8.601 ( 5.704 7.987 -2.188) 10.056 8.601 ( 5.704 7.987 2.188) 10.056 9.129 ( 0.913 1.405 -2.729) 3.202 9.129 ( 0.913 1.405 2.729) 3.202 9.569 ( -5.385 -0.631 -3.408) 6.403 9.569 ( -5.385 -0.631 3.408) 6.403 9.676 ( 1.369 -3.502 -3.907) 5.422 9.676 ( 1.369 -3.502 3.907) 5.422 9.945 ( -1.576 1.199 -8.576) 8.802 9.945 ( -1.576 1.199 8.576) 8.802 10.349 ( 1.898 -1.716 -19.895) 20.059 10.349 ( 1.898 -1.716 19.895) 20.059 10.629 ( 4.213 4.554 -17.728) 18.782 10.629 ( 4.213 4.554 17.728) 18.782 10.792 ( 0.470 -0.797 -23.832) 23.850 10.792 ( 0.470 -0.797 23.832) 23.850 11.368 ( 0.933 1.421 -9.617) 9.766 11.368 ( 0.933 1.421 9.617) 9.766 11.641 ( -4.327 -1.646 -12.137) 12.990 11.641 ( -4.327 -1.646 12.137) 12.990 11.917 ( -6.036 -6.009 -2.668) 8.925 11.917 ( -6.036 -6.009 2.668) 8.925 11.970 ( -3.041 -7.082 -4.702) 9.028 11.970 ( -3.041 -7.082 4.702) 9.028 12.607 ( 3.855 9.716 -2.690) 10.794 12.607 ( 3.855 9.716 2.690) 10.794 12.826 ( 7.271 3.644 -6.867) 10.644 12.826 ( 7.271 3.644 6.867) 10.644 13.276 ( -2.657 -2.260 -8.564) 9.247 13.276 ( -2.657 -2.260 8.564) 9.247 13.603 ( 2.609 2.196 -8.525) 9.182 13.603 ( 2.609 2.196 8.525) 9.182 14.621 ( -6.237 -7.582 -1.297) 9.902 14.621 ( -6.237 -7.582 1.297) 9.902 14.690 ( -7.662 -8.434 -3.311) 11.866 14.690 ( -7.662 -8.434 3.311) 11.866 15.027 ( 7.566 8.417 -8.140) 13.941 15.027 ( 7.566 8.417 8.140) 13.941 15.668 ( -1.862 -1.361 -2.281) 3.244 15.668 ( -1.862 -1.361 2.281) 3.244 15.841 ( 1.384 0.700 -1.683) 2.289 15.841 ( 1.384 0.700 1.683) 2.289 17.764 ( 3.012 5.119 -4.943) 7.727 17.764 ( 3.012 5.119 4.943) 7.727 17.816 ( 5.625 4.551 -7.924) 10.731 17.816 ( 5.625 4.551 7.924) 10.731 18.256 ( 0.393 2.767 -2.264) 3.596 18.256 ( 0.393 2.767 2.264) 3.596 18.352 ( 5.682 4.608 -1.796) 7.533 18.352 ( 5.682 4.608 1.796) 7.533 19.159 ( -5.366 -6.460 -6.391) 10.553 19.159 ( -5.366 -6.460 6.391) 10.553 19.863 ( -15.713 -17.854 -24.201) 33.932 19.863 ( -15.713 -17.854 24.201) 33.932 ======================= Grid point 246 (37/42) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 13.092 15.151 -9.990) 22.377 2.184 ( 13.092 15.151 9.990) 22.377 2.434 ( 17.605 9.970 -14.703) 25.010 2.434 ( 17.605 9.970 14.703) 25.010 2.819 ( -0.518 0.861 -1.651) 1.933 2.819 ( -0.518 0.861 1.651) 1.933 3.193 ( -1.456 -1.446 -3.196) 3.799 3.193 ( -1.456 -1.446 3.196) 3.799 3.563 ( -12.712 -12.546 -4.895) 18.519 3.563 ( -12.712 -12.546 4.895) 18.519 3.663 ( -11.963 -14.793 -5.706) 19.862 3.663 ( -11.963 -14.793 5.706) 19.862 4.050 ( 6.386 4.528 -3.190) 8.454 4.050 ( 6.386 4.528 3.190) 8.454 4.186 ( 14.218 15.136 -5.415) 21.461 4.186 ( 14.218 15.136 5.415) 21.461 4.599 ( -7.269 -6.485 -2.207) 9.988 4.599 ( -7.269 -6.485 2.207) 9.988 4.740 ( -9.444 -8.389 -2.400) 12.858 4.740 ( -9.444 -8.389 2.400) 12.858 5.074 ( -6.387 1.533 -8.003) 10.353 5.074 ( -6.387 1.533 8.003) 10.353 5.302 ( 12.407 10.213 -5.186) 16.886 5.302 ( 12.407 10.213 5.186) 16.886 5.511 ( 8.447 5.059 -7.959) 12.661 5.511 ( 8.447 5.059 7.959) 12.661 6.528 ( -6.512 1.444 -3.782) 7.668 6.528 ( -6.512 1.444 3.782) 7.668 6.987 ( -6.442 -1.271 -2.217) 6.930 6.987 ( -6.442 -1.271 2.217) 6.930 7.248 ( -4.628 -6.088 -4.066) 8.661 7.248 ( -4.628 -6.088 4.066) 8.661 7.452 ( 3.704 -5.138 -5.947) 8.688 7.452 ( 3.704 -5.138 5.947) 8.688 7.776 ( 0.876 -1.287 -6.609) 6.790 7.776 ( 0.876 -1.287 6.609) 6.790 8.799 ( 7.247 9.507 -5.975) 13.364 8.799 ( 7.247 9.507 5.975) 13.364 9.187 ( 2.449 3.226 -4.751) 6.243 9.187 ( 2.449 3.226 4.751) 6.243 9.497 ( -3.513 1.708 -3.918) 5.533 9.497 ( -3.513 1.708 3.918) 5.533 9.663 ( -0.443 -0.902 -7.179) 7.249 9.663 ( -0.443 -0.902 7.179) 7.249 9.907 ( -3.083 -0.033 -7.610) 8.211 9.907 ( -3.083 -0.033 7.610) 8.211 10.273 ( -3.490 -10.167 -15.895) 19.188 10.273 ( -3.490 -10.167 15.895) 19.188 10.708 ( 1.434 1.788 -25.431) 25.534 10.708 ( 1.434 1.788 25.431) 25.534 10.788 ( 1.931 -0.284 -31.552) 31.612 10.788 ( 1.931 -0.284 31.552) 31.612 11.430 ( 1.019 2.624 -10.689) 11.054 11.430 ( 1.019 2.624 10.689) 11.054 11.540 ( -4.023 -2.781 -3.430) 5.974 11.540 ( -4.023 -2.781 3.430) 5.974 11.780 ( -3.679 -4.033 -7.799) 9.519 11.780 ( -3.679 -4.033 7.799) 9.519 11.861 ( -2.679 -5.684 -3.430) 7.159 11.861 ( -2.679 -5.684 3.430) 7.159 12.743 ( 1.820 9.149 -6.048) 11.117 12.743 ( 1.820 9.149 6.048) 11.117 12.974 ( 4.673 1.447 -7.884) 9.278 12.974 ( 4.673 1.447 7.884) 9.278 13.266 ( 3.613 1.754 -7.103) 8.160 13.266 ( 3.613 1.754 7.103) 8.160 13.686 ( 4.738 2.467 -7.097) 8.882 13.686 ( 4.738 2.467 7.097) 8.882 14.383 ( -10.335 -10.327 -2.615) 14.842 14.383 ( -10.335 -10.327 2.615) 14.842 14.488 ( -7.218 -6.997 -2.968) 10.482 14.488 ( -7.218 -6.997 2.968) 10.482 15.235 ( 7.308 6.863 -7.941) 12.789 15.235 ( 7.308 6.863 7.941) 12.789 15.602 ( -3.684 -2.151 -3.813) 5.722 15.602 ( -3.684 -2.151 3.813) 5.722 15.856 ( 0.792 -1.103 -4.211) 4.424 15.856 ( 0.792 -1.103 4.211) 4.424 17.849 ( 1.555 4.136 -5.312) 6.909 17.849 ( 1.555 4.136 5.312) 6.909 17.967 ( 7.400 3.858 -10.901) 13.729 17.967 ( 7.400 3.858 10.901) 13.729 18.278 ( -0.908 1.958 -2.066) 2.988 18.278 ( -0.908 1.958 2.066) 2.988 18.513 ( 7.339 5.189 -0.372) 8.996 18.513 ( 7.339 5.189 0.372) 8.996 19.002 ( -5.121 -5.891 -9.778) 12.511 19.002 ( -5.121 -5.891 9.778) 12.511 19.472 ( -13.749 -12.452 -18.697) 26.337 19.472 ( -13.749 -12.452 18.697) 26.337 ======================= Grid point 248 (38/42) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 10.271 10.240 -4.910) 15.312 2.514 ( 10.271 10.240 4.910) 15.312 2.734 ( -1.776 -0.128 -2.074) 2.734 2.734 ( -1.776 -0.128 2.074) 2.734 2.854 ( 14.286 6.072 -9.464) 18.180 2.854 ( 14.286 6.072 9.464) 18.180 3.159 ( -1.763 -3.342 -2.629) 4.603 3.159 ( -1.763 -3.342 2.629) 4.603 3.253 ( -10.390 -10.171 -6.261) 15.831 3.253 ( -10.390 -10.171 6.261) 15.831 3.365 ( -6.831 -8.106 -6.454) 12.411 3.365 ( -6.831 -8.106 6.454) 12.411 4.221 ( 8.225 4.308 -1.994) 9.497 4.221 ( 8.225 4.308 1.994) 9.497 4.409 ( -6.020 -2.455 -1.047) 6.585 4.409 ( -6.020 -2.455 1.047) 6.585 4.512 ( 1.131 2.053 -3.032) 3.832 4.512 ( 1.131 2.053 3.032) 3.832 4.587 ( 3.686 2.487 -2.844) 5.278 4.587 ( 3.686 2.487 2.844) 5.278 4.888 ( -11.521 -1.524 -7.533) 13.849 4.888 ( -11.521 -1.524 7.533) 13.849 5.443 ( 4.185 -3.852 -13.656) 14.793 5.443 ( 4.185 -3.852 13.656) 14.793 5.905 ( 17.077 19.007 -5.881) 26.220 5.905 ( 17.077 19.007 5.881) 26.220 6.319 ( -18.666 -1.842 -4.800) 19.361 6.319 ( -18.666 -1.842 4.800) 19.361 6.954 ( 1.184 2.336 -2.562) 3.664 6.954 ( 1.184 2.336 2.562) 3.664 7.109 ( -4.160 -5.403 -4.955) 8.429 7.109 ( -4.160 -5.403 4.955) 8.429 7.468 ( 4.031 -5.883 -7.052) 10.029 7.468 ( 4.031 -5.883 7.052) 10.029 7.777 ( 1.272 -2.156 -6.365) 6.840 7.777 ( 1.272 -2.156 6.365) 6.840 8.982 ( 3.386 6.744 -10.027) 12.549 8.982 ( 3.386 6.744 10.027) 12.549 9.238 ( 0.441 1.389 -5.887) 6.065 9.238 ( 0.441 1.389 5.887) 6.065 9.498 ( -0.495 4.982 -6.026) 7.834 9.498 ( -0.495 4.982 6.026) 7.834 9.630 ( -3.658 0.904 -12.667) 13.216 9.630 ( -3.658 0.904 12.667) 13.216 9.878 ( 0.440 -0.177 -6.967) 6.983 9.878 ( 0.440 -0.177 6.967) 6.983 10.102 ( -3.853 -7.763 -14.117) 16.565 10.102 ( -3.853 -7.763 14.117) 16.565 10.749 ( 1.890 0.789 -30.920) 30.987 10.749 ( 1.890 0.789 30.920) 30.987 10.813 ( 1.205 -1.485 -36.489) 36.539 10.813 ( 1.205 -1.485 36.489) 36.539 11.402 ( -2.048 -1.720 -4.385) 5.136 11.402 ( -2.048 -1.720 4.385) 5.136 11.503 ( -0.078 -0.244 -15.948) 15.950 11.503 ( -0.078 -0.244 15.948) 15.950 11.735 ( 1.290 -1.498 -7.519) 7.775 11.735 ( 1.290 -1.498 7.519) 7.775 11.776 ( -1.752 -3.988 -4.454) 6.230 11.776 ( -1.752 -3.988 4.454) 6.230 12.852 ( 1.687 6.918 -8.837) 11.349 12.852 ( 1.687 6.918 8.837) 11.349 12.973 ( -4.199 1.279 -10.475) 11.357 12.973 ( -4.199 1.279 10.475) 11.357 13.403 ( 6.883 0.738 -11.061) 13.048 13.403 ( 6.883 0.738 11.061) 13.048 13.809 ( 6.675 2.436 -5.459) 8.961 13.809 ( 6.675 2.436 5.459) 8.961 14.119 ( -8.649 -8.412 -1.956) 12.222 14.119 ( -8.649 -8.412 1.956) 12.222 14.341 ( -3.068 -3.851 -1.864) 5.265 14.341 ( -3.068 -3.851 1.864) 5.265 15.393 ( 5.152 4.605 -5.173) 8.632 15.393 ( 5.152 4.605 5.173) 8.632 15.511 ( -4.629 -2.261 -6.126) 8.004 15.511 ( -4.629 -2.261 6.126) 8.004 15.854 ( 0.872 -1.746 -5.264) 5.614 15.854 ( 0.872 -1.746 5.264) 5.614 17.893 ( -0.264 2.702 -5.627) 6.248 17.893 ( -0.264 2.702 5.627) 6.248 18.124 ( 6.782 3.444 -9.679) 12.310 18.124 ( 6.782 3.444 9.679) 12.310 18.246 ( -3.451 -1.613 -5.928) 7.047 18.246 ( -3.451 -1.613 5.928) 7.047 18.643 ( 2.107 2.299 -5.023) 5.912 18.643 ( 2.107 2.299 5.023) 5.912 18.952 ( 4.242 0.818 -8.791) 9.795 18.952 ( 4.242 0.818 8.791) 9.795 19.166 ( -10.486 -8.599 -11.511) 17.788 19.166 ( -10.486 -8.599 11.511) 17.788 ======================= Grid point 264 (39/42) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 10.498 18.182 -12.327) 24.347 2.161 ( 10.498 18.182 12.327) 24.347 2.315 ( 8.368 14.494 -16.709) 23.649 2.315 ( 8.368 14.494 16.709) 23.649 2.827 ( 0.782 1.355 -2.012) 2.549 2.827 ( 0.782 1.355 2.012) 2.549 3.199 ( -1.115 -1.932 -3.107) 3.825 3.199 ( -1.115 -1.932 3.107) 3.825 3.614 ( -9.851 -17.062 -4.979) 20.321 3.614 ( -9.851 -17.062 4.979) 20.321 3.683 ( -9.058 -15.689 -7.103) 19.459 3.683 ( -9.058 -15.689 7.103) 19.459 4.016 ( 3.048 5.279 -3.741) 7.152 4.016 ( 3.048 5.279 3.741) 7.152 4.141 ( 11.122 19.263 -7.178) 23.373 4.141 ( 11.122 19.263 7.178) 23.373 4.630 ( -4.907 -8.499 -3.858) 10.545 4.630 ( -4.907 -8.499 3.858) 10.545 4.786 ( -7.213 -12.493 -3.017) 14.737 4.786 ( -7.213 -12.493 3.017) 14.737 5.136 ( 8.989 15.569 -3.343) 18.286 5.136 ( 8.989 15.569 3.343) 18.286 5.265 ( -2.353 -4.075 -12.915) 13.745 5.265 ( -2.353 -4.075 12.915) 13.745 5.446 ( 5.882 10.188 -4.113) 12.462 5.446 ( 5.882 10.188 4.113) 12.462 6.595 ( 0.987 1.710 -5.358) 5.711 6.595 ( 0.987 1.710 5.358) 5.711 7.074 ( -3.108 -5.383 -5.079) 8.027 7.074 ( -3.108 -5.383 5.079) 8.027 7.237 ( -2.993 -5.184 -6.414) 8.773 7.237 ( -2.993 -5.184 6.414) 8.773 7.374 ( -2.910 -5.041 -5.703) 8.149 7.374 ( -2.910 -5.041 5.703) 8.149 7.761 ( -0.547 -0.947 -8.162) 8.235 7.761 ( -0.547 -0.947 8.162) 8.235 8.788 ( 6.259 10.841 -4.276) 13.228 8.788 ( 6.259 10.841 4.276) 13.228 9.184 ( 2.173 3.763 -5.005) 6.629 9.184 ( 2.173 3.763 5.005) 6.629 9.558 ( -0.339 -0.587 -6.221) 6.258 9.558 ( -0.339 -0.587 6.221) 6.258 9.642 ( 0.221 0.382 -4.825) 4.845 9.642 ( 0.221 0.382 4.825) 4.845 9.951 ( -0.465 -0.805 -8.298) 8.350 9.951 ( -0.465 -0.805 8.298) 8.350 10.229 ( -5.530 -9.578 -14.312) 18.087 10.229 ( -5.530 -9.578 14.312) 18.087 10.708 ( 1.899 3.288 -25.386) 25.668 10.708 ( 1.899 3.288 25.386) 25.668 10.764 ( -0.513 -0.888 -31.914) 31.930 10.764 ( -0.513 -0.888 31.914) 31.930 11.435 ( 2.265 3.924 -13.616) 14.350 11.435 ( 2.265 3.924 13.616) 14.350 11.568 ( -3.481 -6.030 -9.178) 11.520 11.568 ( -3.481 -6.030 9.178) 11.520 11.801 ( -3.309 -5.731 -8.619) 10.866 11.801 ( -3.309 -5.731 8.619) 10.866 11.841 ( -3.329 -5.766 -5.323) 8.524 11.841 ( -3.329 -5.766 5.323) 8.524 12.819 ( 6.138 10.631 -10.300) 16.025 12.819 ( 6.138 10.631 10.300) 16.025 12.891 ( 2.409 4.172 -5.877) 7.599 12.891 ( 2.409 4.172 5.877) 7.599 13.253 ( -0.002 -0.004 -8.776) 8.776 13.253 ( -0.002 -0.004 8.776) 8.776 13.655 ( 1.893 3.280 -8.258) 9.085 13.655 ( 1.893 3.280 8.258) 9.085 14.419 ( -7.224 -12.512 -2.024) 14.589 14.419 ( -7.224 -12.512 2.024) 14.589 14.516 ( -5.340 -9.249 -2.776) 11.035 14.516 ( -5.340 -9.249 2.776) 11.035 15.206 ( 5.272 9.131 -9.040) 13.889 15.206 ( 5.272 9.131 9.040) 13.889 15.626 ( -1.690 -2.927 -4.344) 5.503 15.626 ( -1.690 -2.927 4.344) 5.503 15.840 ( -0.425 -0.737 -3.354) 3.461 15.840 ( -0.425 -0.737 3.354) 3.461 17.876 ( 3.295 5.708 -8.263) 10.570 17.876 ( 3.295 5.708 8.263) 10.570 17.901 ( 2.736 4.739 -9.457) 10.926 17.901 ( 2.736 4.739 9.457) 10.926 18.303 ( 0.814 1.410 -2.501) 2.985 18.303 ( 0.814 1.410 2.501) 2.985 18.469 ( 4.443 7.696 -0.770) 8.919 18.469 ( 4.443 7.696 0.770) 8.919 19.017 ( -4.462 -7.728 -9.492) 13.028 19.017 ( -4.462 -7.728 9.492) 13.028 19.530 ( -9.473 -16.407 -19.270) 27.023 19.530 ( -9.473 -16.407 19.270) 27.023 ======================= Grid point 266 (40/42) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 7.981 14.501 -6.869) 17.921 2.479 ( 7.981 14.501 6.869) 17.921 2.613 ( 13.072 8.565 -12.003) 19.705 2.613 ( 13.072 8.565 12.003) 19.705 2.837 ( -1.182 1.078 -1.655) 2.302 2.837 ( -1.182 1.078 1.655) 2.302 3.152 ( -1.305 -2.869 -1.263) 3.396 3.152 ( -1.305 -2.869 1.263) 3.396 3.292 ( -9.010 -14.294 -7.722) 18.578 3.292 ( -9.010 -14.294 7.722) 18.578 3.399 ( -8.212 -12.016 -8.103) 16.658 3.399 ( -8.212 -12.016 8.103) 16.658 4.143 ( 5.636 4.890 -2.965) 8.030 4.143 ( 5.636 4.890 2.965) 8.030 4.459 ( 1.114 3.914 -3.009) 5.061 4.459 ( 1.114 3.914 3.009) 5.061 4.521 ( 2.300 5.826 -1.079) 6.356 4.521 ( 2.300 5.826 1.079) 6.356 4.567 ( -3.599 -7.310 -2.491) 8.520 4.567 ( -3.599 -7.310 2.491) 8.520 5.088 ( -12.262 0.176 -12.094) 17.224 5.088 ( -12.262 0.176 12.094) 17.224 5.298 ( 6.608 -6.576 -13.070) 16.054 5.298 ( 6.608 -6.576 13.070) 16.054 5.842 ( 15.454 23.667 -8.593) 29.543 5.842 ( 15.454 23.667 8.593) 29.543 6.586 ( -9.139 3.978 -6.261) 11.771 6.586 ( -9.139 3.978 6.261) 11.771 6.957 ( -2.072 -3.593 -6.106) 7.381 6.957 ( -2.072 -3.593 6.106) 7.381 7.129 ( -4.461 -5.285 -5.478) 8.823 7.129 ( -4.461 -5.285 5.478) 8.823 7.316 ( 3.608 -8.233 -8.187) 12.159 7.316 ( 3.608 -8.233 8.187) 12.159 7.742 ( 0.151 -1.915 -7.884) 8.114 7.742 ( 0.151 -1.915 7.884) 8.114 8.991 ( 5.235 9.727 -7.485) 13.343 8.991 ( 5.235 9.727 7.485) 13.343 9.244 ( 0.882 1.935 -6.495) 6.835 9.244 ( 0.882 1.935 6.495) 6.835 9.570 ( -0.690 5.880 -6.732) 8.966 9.570 ( -0.690 5.880 6.732) 8.966 9.674 ( 1.079 2.039 -5.788) 6.230 9.674 ( 1.079 2.039 5.788) 6.230 9.903 ( -4.203 -0.644 -5.675) 7.091 9.903 ( -4.203 -0.644 5.675) 7.091 10.052 ( -1.843 -11.443 -12.845) 17.301 10.052 ( -1.843 -11.443 12.845) 17.301 10.740 ( -0.023 1.239 -28.339) 28.366 10.740 ( -0.023 1.239 28.339) 28.366 10.772 ( 1.767 -1.271 -31.387) 31.463 10.772 ( 1.767 -1.271 31.387) 31.463 11.431 ( -4.406 -4.095 -7.839) 9.881 11.431 ( -4.406 -4.095 7.839) 9.881 11.495 ( 1.110 0.220 -19.001) 19.035 11.495 ( 1.110 0.220 19.001) 19.035 11.712 ( -1.583 -3.030 -11.474) 11.972 11.712 ( -1.583 -3.030 11.474) 11.972 11.752 ( -1.233 -5.267 -6.859) 8.736 11.752 ( -1.233 -5.267 6.859) 8.736 12.931 ( -1.051 8.879 -8.694) 12.471 12.931 ( -1.051 8.879 8.694) 12.471 13.019 ( 3.211 4.098 -10.293) 11.534 13.019 ( 3.211 4.098 10.293) 11.534 13.296 ( 4.995 1.078 -8.972) 10.325 13.296 ( 4.995 1.078 8.972) 10.325 13.734 ( 4.384 2.614 -7.056) 8.709 13.734 ( 4.384 2.614 7.056) 8.709 14.166 ( -8.344 -11.816 -1.359) 14.528 14.166 ( -8.344 -11.816 1.359) 14.528 14.355 ( -4.250 -6.415 -1.496) 7.839 14.355 ( -4.250 -6.415 1.496) 7.839 15.361 ( 4.575 6.013 -8.348) 11.260 15.361 ( 4.575 6.013 8.348) 11.260 15.560 ( -3.227 -2.226 -5.580) 6.819 15.560 ( -3.227 -2.226 5.580) 6.819 15.821 ( 0.206 -2.222 -3.986) 4.568 15.821 ( 0.206 -2.222 3.986) 4.568 17.942 ( -0.990 5.593 -9.159) 10.777 17.942 ( -0.990 5.593 9.159) 10.777 18.030 ( 7.444 2.604 -10.811) 13.382 18.030 ( 7.444 2.604 10.811) 13.382 18.288 ( -2.813 -1.826 -4.465) 5.584 18.288 ( -2.813 -1.826 4.465) 5.584 18.629 ( 4.776 7.077 -2.110) 8.794 18.629 ( 4.776 7.077 2.110) 8.794 18.906 ( -0.466 -3.384 -9.454) 10.052 18.906 ( -0.466 -3.384 9.454) 10.052 19.238 ( -9.323 -11.876 -11.905) 19.227 19.238 ( -9.323 -11.876 11.905) 19.227 ======================= Grid point 268 (41/42) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -2.157 3.737 -4.057) 5.923 2.659 ( -2.157 3.737 4.057) 5.923 2.749 ( -1.436 2.487 -3.446) 4.486 2.749 ( -1.436 2.487 3.446) 4.486 2.908 ( 2.333 -4.040 -9.547) 10.626 2.908 ( 2.333 -4.040 9.547) 10.626 3.023 ( 0.733 -1.269 -8.517) 8.642 3.023 ( 0.733 -1.269 8.517) 8.642 3.190 ( 0.736 -1.274 -1.683) 2.235 3.190 ( 0.736 -1.274 1.683) 2.235 3.229 ( 3.220 -5.577 -9.386) 11.383 3.229 ( 3.220 -5.577 9.386) 11.383 4.258 ( 0.905 -1.567 -2.461) 3.055 4.258 ( 0.905 -1.567 2.461) 3.055 4.368 ( -0.669 1.159 -2.850) 3.149 4.368 ( -0.669 1.159 2.850) 3.149 4.473 ( 1.614 -2.795 -3.631) 4.858 4.473 ( 1.614 -2.795 3.631) 4.858 4.743 ( -4.034 6.987 -10.289) 13.075 4.743 ( -4.034 6.987 10.289) 13.075 4.911 ( -2.989 5.177 -7.960) 9.955 4.911 ( -2.989 5.177 7.960) 9.955 5.319 ( 4.892 -8.472 -13.901) 16.998 5.319 ( 4.892 -8.472 13.901) 16.998 6.255 ( -5.210 9.024 -10.509) 14.799 6.255 ( -5.210 9.024 10.509) 14.799 6.354 ( -7.013 12.147 -9.429) 16.901 6.354 ( -7.013 12.147 9.429) 16.901 6.976 ( 4.527 -7.840 -8.793) 12.621 6.976 ( 4.527 -7.840 8.793) 12.621 7.022 ( -1.901 3.293 -5.997) 7.101 7.022 ( -1.901 3.293 5.997) 7.101 7.311 ( 5.427 -9.400 -9.774) 14.606 7.311 ( 5.427 -9.400 9.774) 14.606 7.733 ( 1.105 -1.914 -7.679) 7.990 7.733 ( 1.105 -1.914 7.679) 7.990 9.097 ( -2.778 4.811 -8.576) 10.218 9.097 ( -2.778 4.811 8.576) 10.218 9.251 ( 0.036 -0.062 -7.246) 7.246 9.251 ( 0.036 -0.062 7.246) 7.246 9.625 ( -3.988 6.907 -5.274) 9.562 9.625 ( -3.988 6.907 5.274) 9.562 9.673 ( -2.020 3.498 -14.560) 15.110 9.673 ( -2.020 3.498 14.560) 15.110 9.860 ( 0.940 -1.628 -6.895) 7.147 9.860 ( 0.940 -1.628 6.895) 7.147 9.974 ( 3.247 -5.625 -10.002) 11.925 9.974 ( 3.247 -5.625 10.002) 11.925 10.750 ( 0.242 -0.418 -32.632) 32.635 10.750 ( 0.242 -0.418 32.632) 32.635 10.776 ( 1.063 -1.841 -36.356) 36.419 10.776 ( 1.063 -1.841 36.356) 36.419 11.367 ( 0.891 -1.543 -9.478) 9.644 11.367 ( 0.891 -1.543 9.478) 9.644 11.504 ( -0.191 0.331 -22.047) 22.050 11.504 ( -0.191 0.331 22.047) 22.050 11.699 ( 1.560 -2.703 -8.974) 9.501 11.699 ( 1.560 -2.703 8.974) 9.501 11.701 ( 1.570 -2.720 -11.254) 11.684 11.701 ( 1.570 -2.720 11.254) 11.684 12.974 ( -3.228 5.591 -11.115) 12.854 12.974 ( -3.228 5.591 11.115) 12.854 13.048 ( -3.080 5.335 -11.631) 13.162 13.048 ( -3.080 5.335 11.631) 13.162 13.369 ( 2.109 -3.654 -10.204) 11.042 13.369 ( 2.109 -3.654 10.204) 11.042 13.826 ( 0.683 -1.183 -5.720) 5.881 13.826 ( 0.683 -1.183 5.720) 5.881 13.985 ( 2.521 -4.367 -1.679) 5.314 13.985 ( 2.521 -4.367 1.679) 5.314 14.282 ( 1.218 -2.109 -0.933) 2.608 14.282 ( 1.218 -2.109 0.933) 2.608 15.470 ( -0.192 0.332 -10.592) 10.599 15.470 ( -0.192 0.332 10.592) 10.599 15.480 ( -1.099 1.903 -3.959) 4.528 15.480 ( -1.099 1.903 3.959) 4.528 15.811 ( 1.366 -2.367 -4.096) 4.924 15.811 ( 1.366 -2.367 4.096) 4.924 17.961 ( -2.574 4.459 -9.467) 10.776 17.961 ( -2.574 4.459 9.467) 10.776 18.173 ( 1.409 -2.441 -11.694) 12.029 18.173 ( 1.409 -2.441 11.694) 12.029 18.186 ( 0.385 -0.667 -7.398) 7.438 18.186 ( 0.385 -0.667 7.398) 7.438 18.703 ( -2.518 4.362 -4.733) 6.912 18.703 ( -2.518 4.362 4.733) 6.912 18.974 ( 1.073 -1.859 -7.724) 8.017 18.974 ( 1.073 -1.859 7.724) 8.017 19.017 ( 2.408 -4.171 -8.581) 9.840 19.017 ( 2.408 -4.171 8.581) 9.840 ======================= Grid point 288 (42/42) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 4.164 7.212 -4.573) 9.501 2.699 ( 4.164 7.212 4.573) 9.501 2.750 ( 2.603 4.508 -6.585) 8.394 2.750 ( 2.603 4.508 6.585) 8.394 2.854 ( 0.304 0.526 -6.740) 6.767 2.854 ( 0.304 0.526 6.740) 6.767 3.080 ( -3.187 -5.521 -9.925) 11.796 3.080 ( -3.187 -5.521 9.925) 11.796 3.108 ( -0.738 -1.278 -4.511) 4.746 3.108 ( -0.738 -1.278 4.511) 4.746 3.203 ( -4.531 -7.847 -5.539) 10.620 3.203 ( -4.531 -7.847 5.539) 10.620 4.228 ( 1.957 3.390 -2.904) 4.874 4.228 ( 1.957 3.390 2.904) 4.874 4.416 ( -2.516 -4.358 -3.222) 5.975 4.416 ( -2.516 -4.358 3.222) 5.975 4.422 ( -1.298 -2.248 -3.528) 4.380 4.422 ( -1.298 -2.248 3.528) 4.380 4.796 ( 7.853 13.601 -10.199) 18.726 4.796 ( 7.853 13.601 10.199) 18.726 5.039 ( -4.216 -7.302 -14.214) 16.527 5.039 ( -4.216 -7.302 14.214) 16.527 5.176 ( -1.866 -3.232 -11.260) 11.863 5.176 ( -1.866 -3.232 11.260) 11.863 6.291 ( 12.055 20.879 -12.020) 26.939 6.291 ( 12.055 20.879 12.020) 26.939 6.633 ( -1.219 -2.111 -10.387) 10.669 6.633 ( -1.219 -2.111 10.387) 10.669 6.798 ( -5.534 -9.586 -11.092) 15.670 6.798 ( -5.534 -9.586 11.092) 15.670 7.089 ( 0.281 0.487 -7.703) 7.724 7.089 ( 0.281 0.487 7.703) 7.724 7.181 ( -2.744 -4.753 -8.788) 10.360 7.181 ( -2.744 -4.753 8.788) 10.360 7.714 ( -0.457 -0.791 -7.536) 7.591 7.714 ( -0.457 -0.791 7.536) 7.591 9.149 ( 3.564 6.173 -7.910) 10.647 9.149 ( 3.564 6.173 7.910) 10.647 9.245 ( -1.002 -1.736 -7.347) 7.615 9.245 ( -1.002 -1.736 7.347) 7.615 9.696 ( 3.487 6.040 -12.335) 14.170 9.696 ( 3.487 6.040 12.335) 14.170 9.732 ( 1.871 3.241 -6.049) 7.112 9.732 ( 1.871 3.240 6.049) 7.112 9.865 ( -3.361 -5.822 -7.551) 10.110 9.865 ( -3.361 -5.822 7.551) 10.110 9.877 ( -1.928 -3.340 -4.490) 5.919 9.877 ( -1.928 -3.340 4.490) 5.919 10.749 ( -0.174 -0.302 -33.556) 33.558 10.749 ( -0.174 -0.302 33.556) 33.558 10.752 ( -0.194 -0.336 -35.106) 35.108 10.752 ( -0.194 -0.336 35.106) 35.108 11.352 ( -1.536 -2.661 -11.841) 12.233 11.352 ( -1.536 -2.661 11.841) 12.233 11.509 ( 0.320 0.554 -25.865) 25.873 11.509 ( 0.320 0.554 25.865) 25.873 11.665 ( -0.824 -1.427 -13.355) 13.456 11.665 ( -0.824 -1.427 13.355) 13.456 11.675 ( -1.410 -2.442 -10.707) 11.072 11.675 ( -1.410 -2.442 10.707) 11.072 13.050 ( 2.427 4.203 -11.888) 12.841 13.050 ( 2.427 4.203 11.888) 12.841 13.102 ( 1.039 1.799 -14.801) 14.946 13.102 ( 1.039 1.799 14.801) 14.946 13.317 ( 0.782 1.354 -12.379) 12.477 13.317 ( 0.782 1.354 12.379) 12.477 13.797 ( 2.520 4.366 -6.187) 7.980 13.797 ( 2.520 4.366 6.187) 7.980 13.952 ( -5.473 -9.480 -2.826) 11.306 13.952 ( -5.473 -9.480 2.826) 11.306 14.262 ( -1.559 -2.700 -1.494) 3.457 14.262 ( -1.559 -2.700 1.494) 3.457 15.458 ( 2.241 3.882 -8.661) 9.752 15.458 ( 2.241 3.882 8.661) 9.752 15.518 ( -1.279 -2.215 -7.110) 7.556 15.518 ( -1.279 -2.215 7.110) 7.556 15.783 ( -0.753 -1.304 -3.043) 3.395 15.783 ( -0.753 -1.304 3.043) 3.395 18.056 ( 2.018 3.495 -12.103) 12.758 18.056 ( 2.018 3.495 12.103) 12.758 18.071 ( 2.394 4.147 -10.476) 11.519 18.071 ( 2.394 4.147 10.476) 11.519 18.203 ( -3.636 -6.298 -8.856) 11.459 18.203 ( -3.636 -6.298 8.856) 11.459 18.782 ( 4.469 7.740 -4.171) 9.863 18.782 ( 4.469 7.740 4.171) 9.863 18.881 ( 0.638 1.105 -6.675) 6.795 18.881 ( 0.638 1.105 6.675) 6.795 19.018 ( -6.209 -10.755 -6.326) 13.937 19.018 ( -6.209 -10.755 6.326) 13.937 =================== 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 3/36000 10.0 11136.245 11136.245 5666.409 -0.000 -0.000 -0.000 3/36000 20.0 3846.612 3846.612 3707.498 -0.000 0.000 -0.000 3/36000 30.0 1223.421 1223.421 1313.811 -0.000 0.000 -0.000 3/36000 40.0 549.539 549.539 612.144 -0.000 0.000 -0.000 3/36000 50.0 309.601 309.601 349.433 -0.000 0.000 -0.000 3/36000 60.0 199.218 199.218 225.921 -0.000 0.000 -0.000 3/36000 70.0 139.538 139.538 158.519 -0.000 0.000 -0.000 3/36000 80.0 103.721 103.721 117.879 -0.000 0.000 -0.000 3/36000 90.0 80.615 80.615 91.586 -0.000 0.000 -0.000 3/36000 100.0 64.880 64.880 73.654 -0.000 0.000 -0.000 3/36000 110.0 53.700 53.700 60.901 -0.000 0.000 -0.000 3/36000 120.0 45.473 45.473 51.516 -0.000 0.000 -0.000 3/36000 130.0 39.239 39.239 44.407 -0.000 0.000 -0.000 3/36000 140.0 34.396 34.396 38.887 -0.000 0.000 -0.000 3/36000 150.0 30.552 30.552 34.508 -0.000 0.000 -0.000 3/36000 160.0 27.442 27.442 30.970 -0.000 0.000 -0.000 3/36000 170.0 24.886 24.886 28.064 -0.000 0.000 -0.000 3/36000 180.0 22.753 22.753 25.642 -0.000 0.000 -0.000 3/36000 190.0 20.952 20.952 23.597 -0.000 0.000 -0.000 3/36000 200.0 19.412 19.412 21.852 -0.000 0.000 -0.000 3/36000 210.0 18.083 18.083 20.346 -0.000 0.000 -0.000 3/36000 220.0 16.926 16.926 19.036 -0.000 0.000 -0.000 3/36000 230.0 15.909 15.909 17.886 -0.000 0.000 -0.000 3/36000 240.0 15.010 15.010 16.869 -0.000 0.000 -0.000 3/36000 250.0 14.209 14.209 15.964 -0.000 0.000 -0.000 3/36000 260.0 13.491 13.491 15.154 -0.000 0.000 -0.000 3/36000 270.0 12.844 12.844 14.424 -0.000 0.000 -0.000 3/36000 280.0 12.258 12.258 13.763 -0.000 0.000 -0.000 3/36000 290.0 11.725 11.725 13.162 -0.000 0.000 -0.000 3/36000 300.0 11.238 11.238 12.613 -0.000 0.000 -0.000 3/36000 310.0 10.791 10.791 12.110 -0.000 0.000 -0.000 3/36000 320.0 10.380 10.380 11.647 -0.000 0.000 -0.000 3/36000 330.0 10.000 10.000 11.219 -0.000 0.000 -0.000 3/36000 340.0 9.648 9.648 10.822 -0.000 0.000 -0.000 3/36000 350.0 9.321 9.321 10.454 -0.000 0.000 -0.000 3/36000 360.0 9.016 9.016 10.111 -0.000 0.000 -0.000 3/36000 370.0 8.731 8.731 9.791 -0.000 0.000 -0.000 3/36000 380.0 8.464 8.464 9.491 -0.000 0.000 -0.000 3/36000 390.0 8.213 8.213 9.209 -0.000 0.000 -0.000 3/36000 400.0 7.978 7.978 8.945 -0.000 0.000 -0.000 3/36000 410.0 7.756 7.756 8.696 -0.000 0.000 -0.000 3/36000 420.0 7.547 7.547 8.460 -0.000 0.000 -0.000 3/36000 430.0 7.349 7.349 8.238 -0.000 0.000 -0.000 3/36000 440.0 7.161 7.161 8.027 -0.000 0.000 -0.000 3/36000 450.0 6.983 6.983 7.828 -0.000 0.000 -0.000 3/36000 460.0 6.814 6.814 7.638 -0.000 0.000 -0.000 3/36000 470.0 6.654 6.654 7.458 -0.000 0.000 -0.000 3/36000 480.0 6.501 6.501 7.286 -0.000 0.000 -0.000 3/36000 490.0 6.355 6.355 7.122 -0.000 0.000 -0.000 3/36000 500.0 6.215 6.215 6.966 -0.000 0.000 -0.000 3/36000 510.0 6.082 6.082 6.816 -0.000 0.000 -0.000 3/36000 520.0 5.955 5.955 6.673 -0.000 0.000 -0.000 3/36000 530.0 5.833 5.833 6.537 -0.000 0.000 -0.000 3/36000 540.0 5.716 5.716 6.405 -0.000 0.000 -0.000 3/36000 550.0 5.604 5.604 6.279 -0.000 0.000 -0.000 3/36000 560.0 5.496 5.496 6.158 -0.000 0.000 -0.000 3/36000 570.0 5.392 5.392 6.042 -0.000 0.000 -0.000 3/36000 580.0 5.293 5.293 5.930 -0.000 0.000 -0.000 3/36000 590.0 5.197 5.197 5.823 -0.000 0.000 -0.000 3/36000 600.0 5.104 5.104 5.719 -0.000 0.000 -0.000 3/36000 610.0 5.015 5.015 5.619 -0.000 0.000 -0.000 3/36000 620.0 4.929 4.929 5.523 -0.000 0.000 -0.000 3/36000 630.0 4.846 4.846 5.430 -0.000 0.000 -0.000 3/36000 640.0 4.766 4.766 5.340 -0.000 0.000 -0.000 3/36000 650.0 4.688 4.688 5.253 -0.000 0.000 -0.000 3/36000 660.0 4.613 4.613 5.169 -0.000 0.000 -0.000 3/36000 670.0 4.540 4.540 5.087 -0.000 0.000 -0.000 3/36000 680.0 4.470 4.470 5.008 -0.000 0.000 -0.000 3/36000 690.0 4.402 4.402 4.932 -0.000 0.000 -0.000 3/36000 700.0 4.336 4.336 4.858 -0.000 0.000 -0.000 3/36000 710.0 4.272 4.272 4.786 -0.000 0.000 -0.000 3/36000 720.0 4.210 4.210 4.716 -0.000 0.000 -0.000 3/36000 730.0 4.150 4.150 4.649 -0.000 0.000 -0.000 3/36000 740.0 4.091 4.091 4.583 -0.000 0.000 -0.000 3/36000 750.0 4.034 4.034 4.519 -0.000 0.000 -0.000 3/36000 760.0 3.979 3.979 4.457 -0.000 0.000 -0.000 3/36000 770.0 3.925 3.925 4.397 -0.000 0.000 -0.000 3/36000 780.0 3.873 3.873 4.338 -0.000 0.000 -0.000 3/36000 790.0 3.822 3.822 4.281 -0.000 0.000 -0.000 3/36000 800.0 3.772 3.772 4.226 -0.000 0.000 -0.000 3/36000 810.0 3.724 3.724 4.172 -0.000 0.000 -0.000 3/36000 820.0 3.677 3.677 4.119 -0.000 0.000 -0.000 3/36000 830.0 3.631 3.631 4.067 -0.000 0.000 -0.000 3/36000 840.0 3.586 3.586 4.017 -0.000 0.000 -0.000 3/36000 850.0 3.542 3.542 3.968 -0.000 0.000 -0.000 3/36000 860.0 3.500 3.500 3.921 -0.000 0.000 -0.000 3/36000 870.0 3.458 3.458 3.874 -0.000 0.000 -0.000 3/36000 880.0 3.418 3.418 3.829 -0.000 0.000 -0.000 3/36000 890.0 3.378 3.378 3.784 -0.000 0.000 -0.000 3/36000 900.0 3.339 3.339 3.741 -0.000 0.000 -0.000 3/36000 910.0 3.302 3.302 3.699 -0.000 0.000 -0.000 3/36000 920.0 3.265 3.265 3.657 -0.000 0.000 -0.000 3/36000 930.0 3.229 3.229 3.617 -0.000 0.000 -0.000 3/36000 940.0 3.193 3.193 3.577 -0.000 0.000 -0.000 3/36000 950.0 3.159 3.159 3.538 -0.000 0.000 -0.000 3/36000 960.0 3.125 3.125 3.501 -0.000 0.000 -0.000 3/36000 970.0 3.092 3.092 3.464 -0.000 0.000 -0.000 3/36000 980.0 3.060 3.060 3.427 -0.000 0.000 -0.000 3/36000 990.0 3.028 3.028 3.392 -0.000 0.000 -0.000 3/36000 1000.0 2.997 2.997 3.357 -0.000 0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:29:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|