----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:05:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.631524780000000 3.880415694999999 6.210121560000000 b 3.631524780000000 -3.880415694999999 6.210121560000000 c 3.631524780000000 3.880415694999999 -6.210121560000000 Atomic positions (fractional): *1 Li 0.20459929201404 0.13577405049582 0.61150289318755 6.941 2 Li 0.47572884269174 0.86422594950418 0.06882524151822 6.941 3 Li 0.52427115730826 0.59309639882649 0.38849710681245 6.941 4 Li 0.79540070798596 0.40690360117351 0.93117475848178 6.941 5 Li 0.52427115730826 0.13577405049582 0.93117475848178 6.941 *6 Li 0.34621578317903 0.50000000000000 0.84621578317903 6.941 7 Li 0.65378421682097 0.50000000000000 0.15378421682097 6.941 *8 Li 0.91241152231257 0.77018945710470 0.14222206520787 6.941 9 Li 0.08758847768743 0.22981054289530 0.85777793479213 6.941 10 Li 0.37203260810317 0.22981054289530 0.14222206520787 6.941 11 Li 0.62796739189683 0.77018945710470 0.85777793479213 6.941 12 Li 0.20459929201404 0.59309639882649 0.06882524151822 6.941 13 Li 0.79540070798596 0.86422594950418 0.38849710681245 6.941 14 Li 0.47572884269174 0.40690360117351 0.61150289318755 6.941 *15 O 0.55145369318493 0.87203193982788 0.67942175335704 15.999 *16 O 0.91977034105989 0.62928957424508 0.29048076681480 15.999 17 O 0.33880880743028 0.62928957424508 0.70951923318520 15.999 18 O 0.08022965894011 0.37071042575492 0.70951923318520 15.999 19 O 0.66119119256972 0.37071042575492 0.29048076681480 15.999 *20 O 0.24447472873542 0.02997521323053 0.78550048449511 15.999 21 O 0.75552527126458 0.54102575575969 0.78550048449511 15.999 22 O 0.75552527126458 0.97002478676948 0.21449951550489 15.999 23 O 0.24447472873542 0.45897424424031 0.21449951550489 15.999 *24 O 0.50000000000000 0.71293934809784 0.21293934809784 15.999 25 O 0.50000000000000 0.28706065190216 0.78706065190216 15.999 26 O 0.19261018647084 0.87203193982788 0.32057824664296 15.999 27 O 0.80738981352916 0.12796806017212 0.67942175335704 15.999 28 O 0.44854630681507 0.12796806017212 0.32057824664296 15.999 *29 K 0.00000000000000 0.76077843668578 0.76077843668578 39.098 30 K 0.00000000000000 0.23922156331422 0.23922156331422 39.098 *31 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 *32 Zr 0.77178694783555 0.27178694783555 0.50000000000000 91.224 33 Zr 0.22821305216445 0.72821305216445 0.50000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.263049560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.760831389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.420243120000000 Atomic positions (fractional): *1 Li 0.77133882583467 0.84016406735289 0.36443522466115 6.941 > 1 2 Li 0.72866117416533 0.34016406735289 0.13556477533885 6.941 > 2 3 Li 0.22866117416533 0.15983593264711 0.36443522466115 6.941 > 3 4 Li 0.27133882583467 0.65983593264711 0.13556477533885 6.941 > 4 5 Li 0.77133882583467 0.15983593264711 0.36443522466115 6.941 > 5 *6 Li 0.50000000000000 0.34621578317903 0.00000000000000 6.941 > 6 7 Li 0.50000000000000 0.65378421682097 0.00000000000000 6.941 > 7 *8 Li 0.50000000000000 0.64222206520787 0.27018945710470 6.941 > 8 9 Li 0.00000000000000 0.85777793479213 0.22981054289530 6.941 > 9 10 Li 0.00000000000000 0.14222206520787 0.22981054289530 6.941 > 10 11 Li 0.50000000000000 0.35777793479213 0.27018945710470 6.941 > 11 12 Li 0.22866117416533 0.84016406735289 0.36443522466115 6.941 > 12 13 Li 0.72866117416533 0.65983593264711 0.13556477533885 6.941 > 13 14 Li 0.27133882583467 0.34016406735289 0.13556477533885 6.941 > 14 15 Li 0.27133882583467 0.34016406735289 0.86443522466115 6.941 > 1 16 Li 0.22866117416533 0.84016406735289 0.63556477533885 6.941 > 2 17 Li 0.72866117416533 0.65983593264711 0.86443522466115 6.941 > 3 18 Li 0.77133882583467 0.15983593264711 0.63556477533885 6.941 > 4 19 Li 0.27133882583467 0.65983593264711 0.86443522466115 6.941 > 5 20 Li 0.00000000000000 0.84621578317903 0.50000000000000 6.941 > 6 21 Li 0.00000000000000 0.15378421682097 0.50000000000000 6.941 > 7 22 Li 0.00000000000000 0.14222206520787 0.77018945710470 6.941 > 8 23 Li 0.50000000000000 0.35777793479213 0.72981054289530 6.941 > 9 24 Li 0.50000000000000 0.64222206520787 0.72981054289530 6.941 > 10 25 Li 0.00000000000000 0.85777793479213 0.77018945710470 6.941 > 11 26 Li 0.72866117416533 0.34016406735289 0.86443522466115 6.941 > 12 27 Li 0.22866117416533 0.15983593264711 0.63556477533885 6.941 > 13 28 Li 0.77133882583467 0.84016406735289 0.63556477533885 6.941 > 14 *29 O 0.50000000000000 0.17942175335704 0.37203193982788 15.999 > 15 *30 O 0.50000000000000 0.79048076681480 0.12928957424508 15.999 > 16 31 O 0.50000000000000 0.20951923318520 0.12928957424508 15.999 > 17 32 O 0.00000000000000 0.70951923318520 0.37071042575492 15.999 > 18 33 O 0.00000000000000 0.29048076681480 0.37071042575492 15.999 > 19 *34 O 0.78550048449511 0.00000000000000 0.24447472873542 15.999 > 20 35 O 0.28550048449511 0.50000000000000 0.25552527126458 15.999 > 21 36 O 0.71449951550489 0.50000000000000 0.25552527126458 15.999 > 22 37 O 0.21449951550489 0.00000000000000 0.24447472873542 15.999 > 23 *38 O 0.71293934809784 0.50000000000000 0.00000000000000 15.999 > 24 39 O 0.28706065190216 0.50000000000000 0.00000000000000 15.999 > 25 40 O 0.50000000000000 0.82057824664296 0.37203193982788 15.999 > 26 41 O 0.00000000000000 0.67942175335704 0.12796806017212 15.999 > 27 42 O 0.00000000000000 0.32057824664296 0.12796806017212 15.999 > 28 43 O 0.00000000000000 0.67942175335704 0.87203193982788 15.999 > 15 44 O 0.00000000000000 0.29048076681480 0.62928957424508 15.999 > 16 45 O 0.00000000000000 0.70951923318520 0.62928957424508 15.999 > 17 46 O 0.50000000000000 0.20951923318520 0.87071042575492 15.999 > 18 47 O 0.50000000000000 0.79048076681480 0.87071042575492 15.999 > 19 48 O 0.28550048449511 0.50000000000000 0.74447472873542 15.999 > 20 49 O 0.78550048449511 0.00000000000000 0.75552527126458 15.999 > 21 50 O 0.21449951550489 0.00000000000000 0.75552527126458 15.999 > 22 51 O 0.71449951550489 0.50000000000000 0.74447472873542 15.999 > 23 52 O 0.21293934809785 0.00000000000000 0.50000000000000 15.999 > 24 53 O 0.78706065190216 0.00000000000000 0.50000000000000 15.999 > 25 54 O 0.00000000000000 0.32057824664296 0.87203193982788 15.999 > 26 55 O 0.50000000000000 0.17942175335704 0.62796806017212 15.999 > 27 56 O 0.50000000000000 0.82057824664296 0.62796806017212 15.999 > 28 *57 K 0.76077843668578 0.00000000000000 0.00000000000000 39.098 > 29 58 K 0.23922156331422 0.00000000000000 0.00000000000000 39.098 > 30 59 K 0.26077843668578 0.50000000000000 0.50000000000000 39.098 > 29 60 K 0.73922156331422 0.50000000000000 0.50000000000000 39.098 > 30 *61 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 31 *62 Zr 0.00000000000000 0.50000000000000 0.27178694783555 91.224 > 32 63 Zr 0.50000000000000 0.00000000000000 0.22821305216445 91.224 > 33 64 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 > 31 65 Zr 0.50000000000000 0.00000000000000 0.77178694783555 91.224 > 32 66 Zr 0.00000000000000 0.50000000000000 0.72821305216445 91.224 > 33 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.526099120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.760831389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.420243120000000 Atomic positions (fractional): *1 Li 0.38566941291733 0.84016406735289 0.36443522466115 6.941 > 1 2 Li 0.88566941291733 0.84016406735289 0.36443522466115 6.941 > 1 3 Li 0.36433058708267 0.34016406735289 0.13556477533885 6.941 > 2 4 Li 0.86433058708267 0.34016406735289 0.13556477533885 6.941 > 2 5 Li 0.11433058708267 0.15983593264711 0.36443522466115 6.941 > 3 6 Li 0.61433058708267 0.15983593264711 0.36443522466115 6.941 > 3 7 Li 0.13566941291733 0.65983593264711 0.13556477533885 6.941 > 4 8 Li 0.63566941291733 0.65983593264711 0.13556477533885 6.941 > 4 9 Li 0.38566941291733 0.15983593264711 0.36443522466115 6.941 > 5 10 Li 0.88566941291733 0.15983593264711 0.36443522466115 6.941 > 5 *11 Li 0.25000000000000 0.34621578317903 0.00000000000000 6.941 > 6 12 Li 0.75000000000000 0.34621578317903 0.00000000000000 6.941 > 6 13 Li 0.25000000000000 0.65378421682097 0.00000000000000 6.941 > 7 14 Li 0.75000000000000 0.65378421682097 0.00000000000000 6.941 > 7 *15 Li 0.25000000000000 0.64222206520787 0.27018945710470 6.941 > 8 16 Li 0.75000000000000 0.64222206520787 0.27018945710470 6.941 > 8 17 Li 0.00000000000000 0.85777793479213 0.22981054289530 6.941 > 9 18 Li 0.50000000000000 0.85777793479213 0.22981054289530 6.941 > 9 19 Li 0.00000000000000 0.14222206520787 0.22981054289530 6.941 > 10 20 Li 0.50000000000000 0.14222206520787 0.22981054289530 6.941 > 10 21 Li 0.25000000000000 0.35777793479213 0.27018945710470 6.941 > 11 22 Li 0.75000000000000 0.35777793479213 0.27018945710470 6.941 > 11 23 Li 0.11433058708267 0.84016406735289 0.36443522466115 6.941 > 12 24 Li 0.61433058708267 0.84016406735289 0.36443522466115 6.941 > 12 25 Li 0.36433058708267 0.65983593264711 0.13556477533885 6.941 > 13 26 Li 0.86433058708267 0.65983593264711 0.13556477533885 6.941 > 13 27 Li 0.13566941291733 0.34016406735289 0.13556477533885 6.941 > 14 28 Li 0.63566941291733 0.34016406735289 0.13556477533885 6.941 > 14 29 Li 0.13566941291733 0.34016406735289 0.86443522466115 6.941 > 1 30 Li 0.63566941291733 0.34016406735289 0.86443522466115 6.941 > 1 31 Li 0.11433058708267 0.84016406735289 0.63556477533885 6.941 > 2 32 Li 0.61433058708267 0.84016406735289 0.63556477533885 6.941 > 2 33 Li 0.36433058708267 0.65983593264711 0.86443522466115 6.941 > 3 34 Li 0.86433058708267 0.65983593264711 0.86443522466115 6.941 > 3 35 Li 0.38566941291733 0.15983593264711 0.63556477533885 6.941 > 4 36 Li 0.88566941291733 0.15983593264711 0.63556477533885 6.941 > 4 37 Li 0.13566941291733 0.65983593264711 0.86443522466115 6.941 > 5 38 Li 0.63566941291733 0.65983593264711 0.86443522466115 6.941 > 5 39 Li 0.00000000000000 0.84621578317903 0.50000000000000 6.941 > 6 40 Li 0.50000000000000 0.84621578317903 0.50000000000000 6.941 > 6 41 Li 0.00000000000000 0.15378421682097 0.50000000000000 6.941 > 7 42 Li 0.50000000000000 0.15378421682097 0.50000000000000 6.941 > 7 43 Li 0.00000000000000 0.14222206520787 0.77018945710470 6.941 > 8 44 Li 0.50000000000000 0.14222206520787 0.77018945710470 6.941 > 8 45 Li 0.25000000000000 0.35777793479213 0.72981054289530 6.941 > 9 46 Li 0.75000000000000 0.35777793479213 0.72981054289530 6.941 > 9 47 Li 0.25000000000000 0.64222206520787 0.72981054289530 6.941 > 10 48 Li 0.75000000000000 0.64222206520787 0.72981054289530 6.941 > 10 49 Li 0.00000000000000 0.85777793479213 0.77018945710470 6.941 > 11 50 Li 0.50000000000000 0.85777793479213 0.77018945710470 6.941 > 11 51 Li 0.36433058708267 0.34016406735289 0.86443522466115 6.941 > 12 52 Li 0.86433058708267 0.34016406735289 0.86443522466115 6.941 > 12 53 Li 0.11433058708267 0.15983593264711 0.63556477533885 6.941 > 13 54 Li 0.61433058708267 0.15983593264711 0.63556477533885 6.941 > 13 55 Li 0.38566941291733 0.84016406735289 0.63556477533885 6.941 > 14 56 Li 0.88566941291733 0.84016406735289 0.63556477533885 6.941 > 14 *57 O 0.25000000000000 0.17942175335704 0.37203193982788 15.999 > 15 58 O 0.75000000000000 0.17942175335704 0.37203193982788 15.999 > 15 *59 O 0.25000000000000 0.79048076681480 0.12928957424508 15.999 > 16 60 O 0.75000000000000 0.79048076681480 0.12928957424508 15.999 > 16 61 O 0.25000000000000 0.20951923318520 0.12928957424508 15.999 > 17 62 O 0.75000000000000 0.20951923318520 0.12928957424508 15.999 > 17 63 O 0.00000000000000 0.70951923318520 0.37071042575492 15.999 > 18 64 O 0.50000000000000 0.70951923318520 0.37071042575492 15.999 > 18 65 O 0.00000000000000 0.29048076681480 0.37071042575492 15.999 > 19 66 O 0.50000000000000 0.29048076681480 0.37071042575492 15.999 > 19 *67 O 0.39275024224755 0.00000000000000 0.24447472873542 15.999 > 20 68 O 0.89275024224755 0.00000000000000 0.24447472873542 15.999 > 20 69 O 0.14275024224755 0.50000000000000 0.25552527126458 15.999 > 21 70 O 0.64275024224755 0.50000000000000 0.25552527126458 15.999 > 21 71 O 0.35724975775245 0.50000000000000 0.25552527126458 15.999 > 22 72 O 0.85724975775245 0.50000000000000 0.25552527126458 15.999 > 22 73 O 0.10724975775245 0.00000000000000 0.24447472873542 15.999 > 23 74 O 0.60724975775245 0.00000000000000 0.24447472873542 15.999 > 23 *75 O 0.35646967404892 0.50000000000000 0.00000000000000 15.999 > 24 76 O 0.85646967404892 0.50000000000000 0.00000000000000 15.999 > 24 77 O 0.14353032595108 0.50000000000000 0.00000000000000 15.999 > 25 78 O 0.64353032595108 0.50000000000000 0.00000000000000 15.999 > 25 79 O 0.25000000000000 0.82057824664296 0.37203193982788 15.999 > 26 80 O 0.75000000000000 0.82057824664296 0.37203193982788 15.999 > 26 81 O 0.00000000000000 0.67942175335704 0.12796806017212 15.999 > 27 82 O 0.50000000000000 0.67942175335704 0.12796806017212 15.999 > 27 83 O 0.00000000000000 0.32057824664296 0.12796806017212 15.999 > 28 84 O 0.50000000000000 0.32057824664296 0.12796806017212 15.999 > 28 85 O 0.00000000000000 0.67942175335704 0.87203193982788 15.999 > 15 86 O 0.50000000000000 0.67942175335704 0.87203193982788 15.999 > 15 87 O 0.00000000000000 0.29048076681480 0.62928957424508 15.999 > 16 88 O 0.50000000000000 0.29048076681480 0.62928957424508 15.999 > 16 89 O 0.00000000000000 0.70951923318520 0.62928957424508 15.999 > 17 90 O 0.50000000000000 0.70951923318520 0.62928957424508 15.999 > 17 91 O 0.25000000000000 0.20951923318520 0.87071042575492 15.999 > 18 92 O 0.75000000000000 0.20951923318520 0.87071042575492 15.999 > 18 93 O 0.25000000000000 0.79048076681480 0.87071042575492 15.999 > 19 94 O 0.75000000000000 0.79048076681480 0.87071042575492 15.999 > 19 95 O 0.14275024224755 0.50000000000000 0.74447472873542 15.999 > 20 96 O 0.64275024224755 0.50000000000000 0.74447472873542 15.999 > 20 97 O 0.39275024224755 0.00000000000000 0.75552527126458 15.999 > 21 98 O 0.89275024224755 0.00000000000000 0.75552527126458 15.999 > 21 99 O 0.10724975775245 0.00000000000000 0.75552527126458 15.999 > 22 100 O 0.60724975775245 0.00000000000000 0.75552527126458 15.999 > 22 101 O 0.35724975775245 0.50000000000000 0.74447472873542 15.999 > 23 102 O 0.85724975775245 0.50000000000000 0.74447472873542 15.999 > 23 103 O 0.10646967404892 0.00000000000000 0.50000000000000 15.999 > 24 104 O 0.60646967404892 0.00000000000000 0.50000000000000 15.999 > 24 105 O 0.39353032595108 0.00000000000000 0.50000000000000 15.999 > 25 106 O 0.89353032595108 0.00000000000000 0.50000000000000 15.999 > 25 107 O 0.00000000000000 0.32057824664296 0.87203193982788 15.999 > 26 108 O 0.50000000000000 0.32057824664296 0.87203193982788 15.999 > 26 109 O 0.25000000000000 0.17942175335704 0.62796806017212 15.999 > 27 110 O 0.75000000000000 0.17942175335704 0.62796806017212 15.999 > 27 111 O 0.25000000000000 0.82057824664296 0.62796806017212 15.999 > 28 112 O 0.75000000000000 0.82057824664296 0.62796806017212 15.999 > 28 *113 K 0.38038921834289 0.00000000000000 0.00000000000000 39.098 > 29 114 K 0.88038921834289 0.00000000000000 0.00000000000000 39.098 > 29 115 K 0.11961078165711 0.00000000000000 0.00000000000000 39.098 > 30 116 K 0.61961078165711 0.00000000000000 0.00000000000000 39.098 > 30 117 K 0.13038921834289 0.50000000000000 0.50000000000000 39.098 > 29 118 K 0.63038921834289 0.50000000000000 0.50000000000000 39.098 > 29 119 K 0.36961078165711 0.50000000000000 0.50000000000000 39.098 > 30 120 K 0.86961078165711 0.50000000000000 0.50000000000000 39.098 > 30 *121 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 31 122 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 31 *123 Zr 0.00000000000000 0.50000000000000 0.27178694783555 91.224 > 32 124 Zr 0.50000000000000 0.50000000000000 0.27178694783555 91.224 > 32 125 Zr 0.25000000000000 0.00000000000000 0.22821305216445 91.224 > 33 126 Zr 0.75000000000000 0.00000000000000 0.22821305216445 91.224 > 33 127 Zr 0.25000000000000 0.00000000000000 0.50000000000000 91.224 > 31 128 Zr 0.75000000000000 0.00000000000000 0.50000000000000 91.224 > 31 129 Zr 0.25000000000000 0.00000000000000 0.77178694783555 91.224 > 32 130 Zr 0.75000000000000 0.00000000000000 0.77178694783555 91.224 > 32 131 Zr 0.00000000000000 0.50000000000000 0.72821305216445 91.224 > 33 132 Zr 0.50000000000000 0.50000000000000 0.72821305216445 91.224 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3489053 0.0000000 0.0000000 0.0000000 3.2655207 0.0000000 0.0000000 0.0000000 3.4520668 -------------------------- Born effective charges -------------------------- 1 Li 0.9374219 -0.2762284 -0.0070535 -0.3083664 0.9595790 0.0766142 -0.1055011 0.1033461 0.8999892 2 Li 0.9374219 0.2762284 -0.0070535 0.3083664 0.9595790 -0.0766142 -0.1055011 -0.1033461 0.8999892 3 Li 0.9374219 -0.2762284 0.0070535 -0.3083664 0.9595790 -0.0766142 0.1055011 -0.1033461 0.8999892 4 Li 0.9374219 0.2762284 0.0070535 0.3083664 0.9595790 0.0766142 0.1055011 0.1033461 0.8999892 5 Li 0.9374219 0.2762284 -0.0070535 0.3083664 0.9595790 -0.0766142 -0.1055011 -0.1033461 0.8999892 6 Li 1.1316707 0.0000000 0.0000000 0.0000000 1.0573874 0.0000000 0.0000000 -0.0000000 1.1291140 7 Li 1.1316707 0.0000000 0.0000000 0.0000000 1.0573874 0.0000000 0.0000000 -0.0000000 1.1291140 8 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 0.0325756 0.0000000 0.0804595 0.7449808 9 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 0.0325756 0.0000000 0.0804595 0.7449808 10 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 -0.0325756 0.0000000 -0.0804595 0.7449808 11 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 -0.0325756 0.0000000 -0.0804595 0.7449808 12 Li 0.9374219 0.2762284 0.0070535 0.3083664 0.9595790 0.0766142 0.1055011 0.1033461 0.8999892 13 Li 0.9374219 -0.2762284 -0.0070535 -0.3083664 0.9595790 0.0766142 -0.1055011 0.1033461 0.8999892 14 Li 0.9374219 -0.2762284 0.0070535 -0.3083664 0.9595790 -0.0766142 0.1055011 -0.1033461 0.8999892 15 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 0.2075236 0.0000000 0.3120920 -2.8663253 16 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 -0.6828670 0.0000000 -0.8431077 -2.1457355 17 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 0.6828670 0.0000000 0.8431077 -2.1457355 18 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 -0.6828670 0.0000000 -0.8431077 -2.1457355 19 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 0.6828670 0.0000000 0.8431077 -2.1457355 20 O -3.0319403 0.0000000 -0.1262600 0.0000000 -1.6700429 0.0000000 0.0864725 -0.0000000 -1.5090762 21 O -3.0319403 0.0000000 0.1262600 0.0000000 -1.6700429 0.0000000 -0.0864725 -0.0000000 -1.5090762 22 O -3.0319403 0.0000000 -0.1262600 0.0000000 -1.6700429 0.0000000 0.0864725 -0.0000000 -1.5090762 23 O -3.0319403 0.0000000 0.1262600 0.0000000 -1.6700429 0.0000000 -0.0864725 -0.0000000 -1.5090762 24 O -2.8695843 0.0000000 0.0000000 0.0000000 -1.5253134 0.0000000 0.0000000 -0.0000000 -1.8264893 25 O -2.8695843 0.0000000 0.0000000 0.0000000 -1.5253134 0.0000000 0.0000000 -0.0000000 -1.8264893 26 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 -0.2075236 0.0000000 -0.3120920 -2.8663253 27 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 -0.2075236 0.0000000 -0.3120920 -2.8663253 28 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 0.2075236 0.0000000 0.3120920 -2.8663253 29 K 1.0841776 0.0000000 0.0000000 0.0000000 1.1930023 0.0000000 0.0000000 -0.0000000 1.3937112 30 K 1.0841776 0.0000000 0.0000000 0.0000000 1.1930023 0.0000000 0.0000000 -0.0000000 1.3937112 31 Zr 4.4542455 0.0000000 0.0000000 0.0000000 3.0406648 0.0000000 0.0000000 -0.0000000 5.9078013 32 Zr 4.5277606 0.0000000 0.0000000 0.0000000 3.8892460 0.0000000 0.0000000 -0.0000000 4.3021190 33 Zr 4.5277606 0.0000000 0.0000000 0.0000000 3.8892460 0.0000000 0.0000000 -0.0000000 4.3021190 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 23346/23346 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2687 Number of blocks in projector: 2689 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 540 Use submatrix version of eigh solver. (1) Block: 540 / 540 (2) Block: 250 / 540 (2) 242 eigenvectors found. (2) Block: 540 / 540 (2) 282 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 532 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 409 Use standard eigh solver. Tree of FC basis block matrices: - (2687, 2643), data: False |-- (409, 399), data: True |-- (409, 399), data: True |-- (409, 399), data: True |-- (424, 422), data: True |-- (496, 492), data: True |-- (540, 532), data: False |-- (540, 532), data: False |-- (540, 8), data: (540, 16) @ (16, 8) |-- (290, 282), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 0.967 Solver_block: 200 / 560 - Time: 0.788 Solver_block: 300 / 560 - Time: 0.783 Solver_block: 400 / 560 - Time: 0.797 Solver_block: 500 / 560 - Time: 0.785 Solver_block: 560 / 560 - Time: 0.534 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.777 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 23346/23346 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2687 Number of blocks in projector: 2689 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 540 Use submatrix version of eigh solver. (1) Block: 540 / 540 (2) Block: 250 / 540 (2) 242 eigenvectors found. (2) Block: 540 / 540 (2) 282 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 532 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 409 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 409 Use standard eigh solver. Tree of FC basis block matrices: - (2687, 2643), data: False |-- (409, 399), data: True |-- (409, 399), data: True |-- (409, 399), data: True |-- (424, 422), data: True |-- (496, 492), data: True |-- (540, 532), data: False |-- (540, 532), data: False |-- (540, 8), data: (540, 16) @ (16, 8) |-- (290, 282), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:05:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:05:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.631524780000000 3.880415694999999 6.210121560000000 b 3.631524780000000 -3.880415694999999 6.210121560000000 c 3.631524780000000 3.880415694999999 -6.210121560000000 Atomic positions (fractional): 1 Li 0.20459929201404 0.13577405049582 0.61150289318755 6.941 2 Li 0.47572884269174 0.86422594950418 0.06882524151822 6.941 3 Li 0.52427115730826 0.59309639882649 0.38849710681245 6.941 4 Li 0.79540070798596 0.40690360117351 0.93117475848178 6.941 5 Li 0.52427115730826 0.13577405049582 0.93117475848178 6.941 6 Li 0.34621578317903 0.50000000000000 0.84621578317903 6.941 7 Li 0.65378421682097 0.50000000000000 0.15378421682097 6.941 8 Li 0.91241152231257 0.77018945710470 0.14222206520787 6.941 9 Li 0.08758847768743 0.22981054289530 0.85777793479213 6.941 10 Li 0.37203260810317 0.22981054289530 0.14222206520787 6.941 11 Li 0.62796739189683 0.77018945710470 0.85777793479213 6.941 12 Li 0.20459929201404 0.59309639882649 0.06882524151822 6.941 13 Li 0.79540070798596 0.86422594950418 0.38849710681245 6.941 14 Li 0.47572884269174 0.40690360117351 0.61150289318755 6.941 15 O 0.55145369318493 0.87203193982788 0.67942175335704 15.999 16 O 0.91977034105989 0.62928957424508 0.29048076681480 15.999 17 O 0.33880880743028 0.62928957424508 0.70951923318520 15.999 18 O 0.08022965894011 0.37071042575492 0.70951923318520 15.999 19 O 0.66119119256972 0.37071042575492 0.29048076681480 15.999 20 O 0.24447472873542 0.02997521323053 0.78550048449511 15.999 21 O 0.75552527126458 0.54102575575969 0.78550048449511 15.999 22 O 0.75552527126458 0.97002478676948 0.21449951550489 15.999 23 O 0.24447472873542 0.45897424424031 0.21449951550489 15.999 24 O 0.50000000000000 0.71293934809784 0.21293934809784 15.999 25 O 0.50000000000000 0.28706065190216 0.78706065190216 15.999 26 O 0.19261018647084 0.87203193982788 0.32057824664296 15.999 27 O 0.80738981352916 0.12796806017212 0.67942175335704 15.999 28 O 0.44854630681507 0.12796806017212 0.32057824664296 15.999 29 K 0.00000000000000 0.76077843668578 0.76077843668578 39.098 30 K 0.00000000000000 0.23922156331422 0.23922156331422 39.098 31 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 32 Zr 0.77178694783555 0.27178694783555 0.50000000000000 91.224 33 Zr 0.22821305216445 0.72821305216445 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.526099120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.760831389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.420243120000000 Atomic positions (fractional): 1 Li 0.38566941291733 0.84016406735289 0.36443522466115 6.941 > 1 2 Li 0.88566941291733 0.84016406735289 0.36443522466115 6.941 > 1 3 Li 0.36433058708267 0.34016406735289 0.13556477533885 6.941 > 3 4 Li 0.86433058708267 0.34016406735289 0.13556477533885 6.941 > 3 5 Li 0.11433058708267 0.15983593264711 0.36443522466115 6.941 > 5 6 Li 0.61433058708267 0.15983593264711 0.36443522466115 6.941 > 5 7 Li 0.13566941291733 0.65983593264711 0.13556477533885 6.941 > 7 8 Li 0.63566941291733 0.65983593264711 0.13556477533885 6.941 > 7 9 Li 0.38566941291733 0.15983593264711 0.36443522466115 6.941 > 9 10 Li 0.88566941291733 0.15983593264711 0.36443522466115 6.941 > 9 11 Li 0.25000000000000 0.34621578317903 0.00000000000000 6.941 > 11 12 Li 0.75000000000000 0.34621578317903 0.00000000000000 6.941 > 11 13 Li 0.25000000000000 0.65378421682097 0.00000000000000 6.941 > 13 14 Li 0.75000000000000 0.65378421682097 0.00000000000000 6.941 > 13 15 Li 0.25000000000000 0.64222206520787 0.27018945710470 6.941 > 15 16 Li 0.75000000000000 0.64222206520787 0.27018945710470 6.941 > 15 17 Li 0.00000000000000 0.85777793479213 0.22981054289530 6.941 > 17 18 Li 0.50000000000000 0.85777793479213 0.22981054289530 6.941 > 17 19 Li 0.00000000000000 0.14222206520787 0.22981054289530 6.941 > 19 20 Li 0.50000000000000 0.14222206520787 0.22981054289530 6.941 > 19 21 Li 0.25000000000000 0.35777793479213 0.27018945710470 6.941 > 21 22 Li 0.75000000000000 0.35777793479213 0.27018945710470 6.941 > 21 23 Li 0.11433058708267 0.84016406735289 0.36443522466115 6.941 > 23 24 Li 0.61433058708267 0.84016406735289 0.36443522466115 6.941 > 23 25 Li 0.36433058708267 0.65983593264711 0.13556477533885 6.941 > 25 26 Li 0.86433058708267 0.65983593264711 0.13556477533885 6.941 > 25 27 Li 0.13566941291733 0.34016406735289 0.13556477533885 6.941 > 27 28 Li 0.63566941291733 0.34016406735289 0.13556477533885 6.941 > 27 29 Li 0.13566941291733 0.34016406735289 0.86443522466115 6.941 > 1 30 Li 0.63566941291733 0.34016406735289 0.86443522466115 6.941 > 1 31 Li 0.11433058708267 0.84016406735289 0.63556477533885 6.941 > 3 32 Li 0.61433058708267 0.84016406735289 0.63556477533885 6.941 > 3 33 Li 0.36433058708267 0.65983593264711 0.86443522466115 6.941 > 5 34 Li 0.86433058708267 0.65983593264711 0.86443522466115 6.941 > 5 35 Li 0.38566941291733 0.15983593264711 0.63556477533885 6.941 > 7 36 Li 0.88566941291733 0.15983593264711 0.63556477533885 6.941 > 7 37 Li 0.13566941291733 0.65983593264711 0.86443522466115 6.941 > 9 38 Li 0.63566941291733 0.65983593264711 0.86443522466115 6.941 > 9 39 Li 0.00000000000000 0.84621578317903 0.50000000000000 6.941 > 11 40 Li 0.50000000000000 0.84621578317903 0.50000000000000 6.941 > 11 41 Li 0.00000000000000 0.15378421682097 0.50000000000000 6.941 > 13 42 Li 0.50000000000000 0.15378421682097 0.50000000000000 6.941 > 13 43 Li 0.00000000000000 0.14222206520787 0.77018945710470 6.941 > 15 44 Li 0.50000000000000 0.14222206520787 0.77018945710470 6.941 > 15 45 Li 0.25000000000000 0.35777793479213 0.72981054289530 6.941 > 17 46 Li 0.75000000000000 0.35777793479213 0.72981054289530 6.941 > 17 47 Li 0.25000000000000 0.64222206520787 0.72981054289530 6.941 > 19 48 Li 0.75000000000000 0.64222206520787 0.72981054289530 6.941 > 19 49 Li 0.00000000000000 0.85777793479213 0.77018945710470 6.941 > 21 50 Li 0.50000000000000 0.85777793479213 0.77018945710470 6.941 > 21 51 Li 0.36433058708267 0.34016406735289 0.86443522466115 6.941 > 23 52 Li 0.86433058708267 0.34016406735289 0.86443522466115 6.941 > 23 53 Li 0.11433058708267 0.15983593264711 0.63556477533885 6.941 > 25 54 Li 0.61433058708267 0.15983593264711 0.63556477533885 6.941 > 25 55 Li 0.38566941291733 0.84016406735289 0.63556477533885 6.941 > 27 56 Li 0.88566941291733 0.84016406735289 0.63556477533885 6.941 > 27 57 O 0.25000000000000 0.17942175335704 0.37203193982788 15.999 > 57 58 O 0.75000000000000 0.17942175335704 0.37203193982788 15.999 > 57 59 O 0.25000000000000 0.79048076681480 0.12928957424508 15.999 > 59 60 O 0.75000000000000 0.79048076681480 0.12928957424508 15.999 > 59 61 O 0.25000000000000 0.20951923318520 0.12928957424508 15.999 > 61 62 O 0.75000000000000 0.20951923318520 0.12928957424508 15.999 > 61 63 O 0.00000000000000 0.70951923318520 0.37071042575492 15.999 > 63 64 O 0.50000000000000 0.70951923318520 0.37071042575492 15.999 > 63 65 O 0.00000000000000 0.29048076681480 0.37071042575492 15.999 > 65 66 O 0.50000000000000 0.29048076681480 0.37071042575492 15.999 > 65 67 O 0.39275024224755 0.00000000000000 0.24447472873542 15.999 > 67 68 O 0.89275024224755 0.00000000000000 0.24447472873542 15.999 > 67 69 O 0.14275024224755 0.50000000000000 0.25552527126458 15.999 > 69 70 O 0.64275024224755 0.50000000000000 0.25552527126458 15.999 > 69 71 O 0.35724975775245 0.50000000000000 0.25552527126458 15.999 > 71 72 O 0.85724975775245 0.50000000000000 0.25552527126458 15.999 > 71 73 O 0.10724975775245 0.00000000000000 0.24447472873542 15.999 > 73 74 O 0.60724975775245 0.00000000000000 0.24447472873542 15.999 > 73 75 O 0.35646967404892 0.50000000000000 0.00000000000000 15.999 > 75 76 O 0.85646967404892 0.50000000000000 0.00000000000000 15.999 > 75 77 O 0.14353032595108 0.50000000000000 0.00000000000000 15.999 > 77 78 O 0.64353032595108 0.50000000000000 0.00000000000000 15.999 > 77 79 O 0.25000000000000 0.82057824664296 0.37203193982788 15.999 > 79 80 O 0.75000000000000 0.82057824664296 0.37203193982788 15.999 > 79 81 O 0.00000000000000 0.67942175335704 0.12796806017212 15.999 > 81 82 O 0.50000000000000 0.67942175335704 0.12796806017212 15.999 > 81 83 O 0.00000000000000 0.32057824664296 0.12796806017212 15.999 > 83 84 O 0.50000000000000 0.32057824664296 0.12796806017212 15.999 > 83 85 O 0.00000000000000 0.67942175335704 0.87203193982788 15.999 > 57 86 O 0.50000000000000 0.67942175335704 0.87203193982788 15.999 > 57 87 O 0.00000000000000 0.29048076681480 0.62928957424508 15.999 > 59 88 O 0.50000000000000 0.29048076681480 0.62928957424508 15.999 > 59 89 O 0.00000000000000 0.70951923318520 0.62928957424508 15.999 > 61 90 O 0.50000000000000 0.70951923318520 0.62928957424508 15.999 > 61 91 O 0.25000000000000 0.20951923318520 0.87071042575492 15.999 > 63 92 O 0.75000000000000 0.20951923318520 0.87071042575492 15.999 > 63 93 O 0.25000000000000 0.79048076681480 0.87071042575492 15.999 > 65 94 O 0.75000000000000 0.79048076681480 0.87071042575492 15.999 > 65 95 O 0.14275024224755 0.50000000000000 0.74447472873542 15.999 > 67 96 O 0.64275024224755 0.50000000000000 0.74447472873542 15.999 > 67 97 O 0.39275024224755 0.00000000000000 0.75552527126458 15.999 > 69 98 O 0.89275024224755 0.00000000000000 0.75552527126458 15.999 > 69 99 O 0.10724975775245 0.00000000000000 0.75552527126458 15.999 > 71 100 O 0.60724975775245 0.00000000000000 0.75552527126458 15.999 > 71 101 O 0.35724975775245 0.50000000000000 0.74447472873542 15.999 > 73 102 O 0.85724975775245 0.50000000000000 0.74447472873542 15.999 > 73 103 O 0.10646967404892 0.00000000000000 0.50000000000000 15.999 > 75 104 O 0.60646967404892 0.00000000000000 0.50000000000000 15.999 > 75 105 O 0.39353032595108 0.00000000000000 0.50000000000000 15.999 > 77 106 O 0.89353032595108 0.00000000000000 0.50000000000000 15.999 > 77 107 O 0.00000000000000 0.32057824664296 0.87203193982788 15.999 > 79 108 O 0.50000000000000 0.32057824664296 0.87203193982788 15.999 > 79 109 O 0.25000000000000 0.17942175335704 0.62796806017212 15.999 > 81 110 O 0.75000000000000 0.17942175335704 0.62796806017212 15.999 > 81 111 O 0.25000000000000 0.82057824664296 0.62796806017212 15.999 > 83 112 O 0.75000000000000 0.82057824664296 0.62796806017212 15.999 > 83 113 K 0.38038921834289 0.00000000000000 0.00000000000000 39.098 > 113 114 K 0.88038921834289 0.00000000000000 0.00000000000000 39.098 > 113 115 K 0.11961078165711 0.00000000000000 0.00000000000000 39.098 > 115 116 K 0.61961078165711 0.00000000000000 0.00000000000000 39.098 > 115 117 K 0.13038921834289 0.50000000000000 0.50000000000000 39.098 > 113 118 K 0.63038921834289 0.50000000000000 0.50000000000000 39.098 > 113 119 K 0.36961078165711 0.50000000000000 0.50000000000000 39.098 > 115 120 K 0.86961078165711 0.50000000000000 0.50000000000000 39.098 > 115 121 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 121 122 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 121 123 Zr 0.00000000000000 0.50000000000000 0.27178694783555 91.224 > 123 124 Zr 0.50000000000000 0.50000000000000 0.27178694783555 91.224 > 123 125 Zr 0.25000000000000 0.00000000000000 0.22821305216445 91.224 > 125 126 Zr 0.75000000000000 0.00000000000000 0.22821305216445 91.224 > 125 127 Zr 0.25000000000000 0.00000000000000 0.50000000000000 91.224 > 121 128 Zr 0.75000000000000 0.00000000000000 0.50000000000000 91.224 > 121 129 Zr 0.25000000000000 0.00000000000000 0.77178694783555 91.224 > 123 130 Zr 0.75000000000000 0.00000000000000 0.77178694783555 91.224 > 123 131 Zr 0.00000000000000 0.50000000000000 0.72821305216445 91.224 > 125 132 Zr 0.50000000000000 0.50000000000000 0.72821305216445 91.224 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3489053 0.0000000 0.0000000 0.0000000 3.2655207 0.0000000 0.0000000 0.0000000 3.4520668 -------------------------- Born effective charges -------------------------- 1 Li 0.9374219 -0.2762284 -0.0070535 -0.3083664 0.9595790 0.0766142 -0.1055011 0.1033461 0.8999892 2 Li 0.9374219 0.2762284 -0.0070535 0.3083664 0.9595790 -0.0766142 -0.1055011 -0.1033461 0.8999892 3 Li 0.9374219 -0.2762284 0.0070535 -0.3083664 0.9595790 -0.0766142 0.1055011 -0.1033461 0.8999892 4 Li 0.9374219 0.2762284 0.0070535 0.3083664 0.9595790 0.0766142 0.1055011 0.1033461 0.8999892 5 Li 0.9374219 0.2762284 -0.0070535 0.3083664 0.9595790 -0.0766142 -0.1055011 -0.1033461 0.8999892 6 Li 1.1316707 0.0000000 0.0000000 0.0000000 1.0573874 0.0000000 0.0000000 -0.0000000 1.1291140 7 Li 1.1316707 0.0000000 0.0000000 0.0000000 1.0573874 0.0000000 0.0000000 -0.0000000 1.1291140 8 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 0.0325756 0.0000000 0.0804595 0.7449808 9 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 0.0325756 0.0000000 0.0804595 0.7449808 10 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 -0.0325756 0.0000000 -0.0804595 0.7449808 11 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 -0.0325756 0.0000000 -0.0804595 0.7449808 12 Li 0.9374219 0.2762284 0.0070535 0.3083664 0.9595790 0.0766142 0.1055011 0.1033461 0.8999892 13 Li 0.9374219 -0.2762284 -0.0070535 -0.3083664 0.9595790 0.0766142 -0.1055011 0.1033461 0.8999892 14 Li 0.9374219 -0.2762284 0.0070535 -0.3083664 0.9595790 -0.0766142 0.1055011 -0.1033461 0.8999892 15 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 0.2075236 0.0000000 0.3120920 -2.8663253 16 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 -0.6828670 0.0000000 -0.8431077 -2.1457355 17 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 0.6828670 0.0000000 0.8431077 -2.1457355 18 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 -0.6828670 0.0000000 -0.8431077 -2.1457355 19 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 0.6828670 0.0000000 0.8431077 -2.1457355 20 O -3.0319403 0.0000000 -0.1262600 0.0000000 -1.6700429 0.0000000 0.0864725 -0.0000000 -1.5090762 21 O -3.0319403 0.0000000 0.1262600 0.0000000 -1.6700429 0.0000000 -0.0864725 -0.0000000 -1.5090762 22 O -3.0319403 0.0000000 -0.1262600 0.0000000 -1.6700429 0.0000000 0.0864725 -0.0000000 -1.5090762 23 O -3.0319403 0.0000000 0.1262600 0.0000000 -1.6700429 0.0000000 -0.0864725 -0.0000000 -1.5090762 24 O -2.8695843 0.0000000 0.0000000 0.0000000 -1.5253134 0.0000000 0.0000000 -0.0000000 -1.8264893 25 O -2.8695843 0.0000000 0.0000000 0.0000000 -1.5253134 0.0000000 0.0000000 -0.0000000 -1.8264893 26 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 -0.2075236 0.0000000 -0.3120920 -2.8663253 27 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 -0.2075236 0.0000000 -0.3120920 -2.8663253 28 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 0.2075236 0.0000000 0.3120920 -2.8663253 29 K 1.0841776 0.0000000 0.0000000 0.0000000 1.1930023 0.0000000 0.0000000 -0.0000000 1.3937112 30 K 1.0841776 0.0000000 0.0000000 0.0000000 1.1930023 0.0000000 0.0000000 -0.0000000 1.3937112 31 Zr 4.4542455 0.0000000 0.0000000 0.0000000 3.0406648 0.0000000 0.0000000 -0.0000000 5.9078013 32 Zr 4.5277606 0.0000000 0.0000000 0.0000000 3.8892460 0.0000000 0.0000000 -0.0000000 4.3021190 33 Zr 4.5277606 0.0000000 0.0000000 0.0000000 3.8892460 0.0000000 0.0000000 -0.0000000 4.3021190 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 15, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 123, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:06:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:06:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.631524780000000 3.880415694999999 6.210121560000000 b 3.631524780000000 -3.880415694999999 6.210121560000000 c 3.631524780000000 3.880415694999999 -6.210121560000000 Atomic positions (fractional): 1 Li 0.20459929201404 0.13577405049582 0.61150289318755 6.941 2 Li 0.47572884269174 0.86422594950418 0.06882524151822 6.941 3 Li 0.52427115730826 0.59309639882649 0.38849710681245 6.941 4 Li 0.79540070798596 0.40690360117351 0.93117475848178 6.941 5 Li 0.52427115730826 0.13577405049582 0.93117475848178 6.941 6 Li 0.34621578317903 0.50000000000000 0.84621578317903 6.941 7 Li 0.65378421682097 0.50000000000000 0.15378421682097 6.941 8 Li 0.91241152231257 0.77018945710470 0.14222206520787 6.941 9 Li 0.08758847768743 0.22981054289530 0.85777793479213 6.941 10 Li 0.37203260810317 0.22981054289530 0.14222206520787 6.941 11 Li 0.62796739189683 0.77018945710470 0.85777793479213 6.941 12 Li 0.20459929201404 0.59309639882649 0.06882524151822 6.941 13 Li 0.79540070798596 0.86422594950418 0.38849710681245 6.941 14 Li 0.47572884269174 0.40690360117351 0.61150289318755 6.941 15 O 0.55145369318493 0.87203193982788 0.67942175335704 15.999 16 O 0.91977034105989 0.62928957424508 0.29048076681480 15.999 17 O 0.33880880743028 0.62928957424508 0.70951923318520 15.999 18 O 0.08022965894011 0.37071042575492 0.70951923318520 15.999 19 O 0.66119119256972 0.37071042575492 0.29048076681480 15.999 20 O 0.24447472873542 0.02997521323053 0.78550048449511 15.999 21 O 0.75552527126458 0.54102575575969 0.78550048449511 15.999 22 O 0.75552527126458 0.97002478676948 0.21449951550489 15.999 23 O 0.24447472873542 0.45897424424031 0.21449951550489 15.999 24 O 0.50000000000000 0.71293934809784 0.21293934809784 15.999 25 O 0.50000000000000 0.28706065190216 0.78706065190216 15.999 26 O 0.19261018647084 0.87203193982788 0.32057824664296 15.999 27 O 0.80738981352916 0.12796806017212 0.67942175335704 15.999 28 O 0.44854630681507 0.12796806017212 0.32057824664296 15.999 29 K 0.00000000000000 0.76077843668578 0.76077843668578 39.098 30 K 0.00000000000000 0.23922156331422 0.23922156331422 39.098 31 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 32 Zr 0.77178694783555 0.27178694783555 0.50000000000000 91.224 33 Zr 0.22821305216445 0.72821305216445 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.526099120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.760831389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.420243120000000 Atomic positions (fractional): 1 Li 0.38566941291733 0.84016406735289 0.36443522466115 6.941 > 1 2 Li 0.88566941291733 0.84016406735289 0.36443522466115 6.941 > 1 3 Li 0.36433058708267 0.34016406735289 0.13556477533885 6.941 > 3 4 Li 0.86433058708267 0.34016406735289 0.13556477533885 6.941 > 3 5 Li 0.11433058708267 0.15983593264711 0.36443522466115 6.941 > 5 6 Li 0.61433058708267 0.15983593264711 0.36443522466115 6.941 > 5 7 Li 0.13566941291733 0.65983593264711 0.13556477533885 6.941 > 7 8 Li 0.63566941291733 0.65983593264711 0.13556477533885 6.941 > 7 9 Li 0.38566941291733 0.15983593264711 0.36443522466115 6.941 > 9 10 Li 0.88566941291733 0.15983593264711 0.36443522466115 6.941 > 9 11 Li 0.25000000000000 0.34621578317903 0.00000000000000 6.941 > 11 12 Li 0.75000000000000 0.34621578317903 0.00000000000000 6.941 > 11 13 Li 0.25000000000000 0.65378421682097 0.00000000000000 6.941 > 13 14 Li 0.75000000000000 0.65378421682097 0.00000000000000 6.941 > 13 15 Li 0.25000000000000 0.64222206520787 0.27018945710470 6.941 > 15 16 Li 0.75000000000000 0.64222206520787 0.27018945710470 6.941 > 15 17 Li 0.00000000000000 0.85777793479213 0.22981054289530 6.941 > 17 18 Li 0.50000000000000 0.85777793479213 0.22981054289530 6.941 > 17 19 Li 0.00000000000000 0.14222206520787 0.22981054289530 6.941 > 19 20 Li 0.50000000000000 0.14222206520787 0.22981054289530 6.941 > 19 21 Li 0.25000000000000 0.35777793479213 0.27018945710470 6.941 > 21 22 Li 0.75000000000000 0.35777793479213 0.27018945710470 6.941 > 21 23 Li 0.11433058708267 0.84016406735289 0.36443522466115 6.941 > 23 24 Li 0.61433058708267 0.84016406735289 0.36443522466115 6.941 > 23 25 Li 0.36433058708267 0.65983593264711 0.13556477533885 6.941 > 25 26 Li 0.86433058708267 0.65983593264711 0.13556477533885 6.941 > 25 27 Li 0.13566941291733 0.34016406735289 0.13556477533885 6.941 > 27 28 Li 0.63566941291733 0.34016406735289 0.13556477533885 6.941 > 27 29 Li 0.13566941291733 0.34016406735289 0.86443522466115 6.941 > 1 30 Li 0.63566941291733 0.34016406735289 0.86443522466115 6.941 > 1 31 Li 0.11433058708267 0.84016406735289 0.63556477533885 6.941 > 3 32 Li 0.61433058708267 0.84016406735289 0.63556477533885 6.941 > 3 33 Li 0.36433058708267 0.65983593264711 0.86443522466115 6.941 > 5 34 Li 0.86433058708267 0.65983593264711 0.86443522466115 6.941 > 5 35 Li 0.38566941291733 0.15983593264711 0.63556477533885 6.941 > 7 36 Li 0.88566941291733 0.15983593264711 0.63556477533885 6.941 > 7 37 Li 0.13566941291733 0.65983593264711 0.86443522466115 6.941 > 9 38 Li 0.63566941291733 0.65983593264711 0.86443522466115 6.941 > 9 39 Li 0.00000000000000 0.84621578317903 0.50000000000000 6.941 > 11 40 Li 0.50000000000000 0.84621578317903 0.50000000000000 6.941 > 11 41 Li 0.00000000000000 0.15378421682097 0.50000000000000 6.941 > 13 42 Li 0.50000000000000 0.15378421682097 0.50000000000000 6.941 > 13 43 Li 0.00000000000000 0.14222206520787 0.77018945710470 6.941 > 15 44 Li 0.50000000000000 0.14222206520787 0.77018945710470 6.941 > 15 45 Li 0.25000000000000 0.35777793479213 0.72981054289530 6.941 > 17 46 Li 0.75000000000000 0.35777793479213 0.72981054289530 6.941 > 17 47 Li 0.25000000000000 0.64222206520787 0.72981054289530 6.941 > 19 48 Li 0.75000000000000 0.64222206520787 0.72981054289530 6.941 > 19 49 Li 0.00000000000000 0.85777793479213 0.77018945710470 6.941 > 21 50 Li 0.50000000000000 0.85777793479213 0.77018945710470 6.941 > 21 51 Li 0.36433058708267 0.34016406735289 0.86443522466115 6.941 > 23 52 Li 0.86433058708267 0.34016406735289 0.86443522466115 6.941 > 23 53 Li 0.11433058708267 0.15983593264711 0.63556477533885 6.941 > 25 54 Li 0.61433058708267 0.15983593264711 0.63556477533885 6.941 > 25 55 Li 0.38566941291733 0.84016406735289 0.63556477533885 6.941 > 27 56 Li 0.88566941291733 0.84016406735289 0.63556477533885 6.941 > 27 57 O 0.25000000000000 0.17942175335704 0.37203193982788 15.999 > 57 58 O 0.75000000000000 0.17942175335704 0.37203193982788 15.999 > 57 59 O 0.25000000000000 0.79048076681480 0.12928957424508 15.999 > 59 60 O 0.75000000000000 0.79048076681480 0.12928957424508 15.999 > 59 61 O 0.25000000000000 0.20951923318520 0.12928957424508 15.999 > 61 62 O 0.75000000000000 0.20951923318520 0.12928957424508 15.999 > 61 63 O 0.00000000000000 0.70951923318520 0.37071042575492 15.999 > 63 64 O 0.50000000000000 0.70951923318520 0.37071042575492 15.999 > 63 65 O 0.00000000000000 0.29048076681480 0.37071042575492 15.999 > 65 66 O 0.50000000000000 0.29048076681480 0.37071042575492 15.999 > 65 67 O 0.39275024224755 0.00000000000000 0.24447472873542 15.999 > 67 68 O 0.89275024224755 0.00000000000000 0.24447472873542 15.999 > 67 69 O 0.14275024224755 0.50000000000000 0.25552527126458 15.999 > 69 70 O 0.64275024224755 0.50000000000000 0.25552527126458 15.999 > 69 71 O 0.35724975775245 0.50000000000000 0.25552527126458 15.999 > 71 72 O 0.85724975775245 0.50000000000000 0.25552527126458 15.999 > 71 73 O 0.10724975775245 0.00000000000000 0.24447472873542 15.999 > 73 74 O 0.60724975775245 0.00000000000000 0.24447472873542 15.999 > 73 75 O 0.35646967404892 0.50000000000000 0.00000000000000 15.999 > 75 76 O 0.85646967404892 0.50000000000000 0.00000000000000 15.999 > 75 77 O 0.14353032595108 0.50000000000000 0.00000000000000 15.999 > 77 78 O 0.64353032595108 0.50000000000000 0.00000000000000 15.999 > 77 79 O 0.25000000000000 0.82057824664296 0.37203193982788 15.999 > 79 80 O 0.75000000000000 0.82057824664296 0.37203193982788 15.999 > 79 81 O 0.00000000000000 0.67942175335704 0.12796806017212 15.999 > 81 82 O 0.50000000000000 0.67942175335704 0.12796806017212 15.999 > 81 83 O 0.00000000000000 0.32057824664296 0.12796806017212 15.999 > 83 84 O 0.50000000000000 0.32057824664296 0.12796806017212 15.999 > 83 85 O 0.00000000000000 0.67942175335704 0.87203193982788 15.999 > 57 86 O 0.50000000000000 0.67942175335704 0.87203193982788 15.999 > 57 87 O 0.00000000000000 0.29048076681480 0.62928957424508 15.999 > 59 88 O 0.50000000000000 0.29048076681480 0.62928957424508 15.999 > 59 89 O 0.00000000000000 0.70951923318520 0.62928957424508 15.999 > 61 90 O 0.50000000000000 0.70951923318520 0.62928957424508 15.999 > 61 91 O 0.25000000000000 0.20951923318520 0.87071042575492 15.999 > 63 92 O 0.75000000000000 0.20951923318520 0.87071042575492 15.999 > 63 93 O 0.25000000000000 0.79048076681480 0.87071042575492 15.999 > 65 94 O 0.75000000000000 0.79048076681480 0.87071042575492 15.999 > 65 95 O 0.14275024224755 0.50000000000000 0.74447472873542 15.999 > 67 96 O 0.64275024224755 0.50000000000000 0.74447472873542 15.999 > 67 97 O 0.39275024224755 0.00000000000000 0.75552527126458 15.999 > 69 98 O 0.89275024224755 0.00000000000000 0.75552527126458 15.999 > 69 99 O 0.10724975775245 0.00000000000000 0.75552527126458 15.999 > 71 100 O 0.60724975775245 0.00000000000000 0.75552527126458 15.999 > 71 101 O 0.35724975775245 0.50000000000000 0.74447472873542 15.999 > 73 102 O 0.85724975775245 0.50000000000000 0.74447472873542 15.999 > 73 103 O 0.10646967404892 0.00000000000000 0.50000000000000 15.999 > 75 104 O 0.60646967404892 0.00000000000000 0.50000000000000 15.999 > 75 105 O 0.39353032595108 0.00000000000000 0.50000000000000 15.999 > 77 106 O 0.89353032595108 0.00000000000000 0.50000000000000 15.999 > 77 107 O 0.00000000000000 0.32057824664296 0.87203193982788 15.999 > 79 108 O 0.50000000000000 0.32057824664296 0.87203193982788 15.999 > 79 109 O 0.25000000000000 0.17942175335704 0.62796806017212 15.999 > 81 110 O 0.75000000000000 0.17942175335704 0.62796806017212 15.999 > 81 111 O 0.25000000000000 0.82057824664296 0.62796806017212 15.999 > 83 112 O 0.75000000000000 0.82057824664296 0.62796806017212 15.999 > 83 113 K 0.38038921834289 0.00000000000000 0.00000000000000 39.098 > 113 114 K 0.88038921834289 0.00000000000000 0.00000000000000 39.098 > 113 115 K 0.11961078165711 0.00000000000000 0.00000000000000 39.098 > 115 116 K 0.61961078165711 0.00000000000000 0.00000000000000 39.098 > 115 117 K 0.13038921834289 0.50000000000000 0.50000000000000 39.098 > 113 118 K 0.63038921834289 0.50000000000000 0.50000000000000 39.098 > 113 119 K 0.36961078165711 0.50000000000000 0.50000000000000 39.098 > 115 120 K 0.86961078165711 0.50000000000000 0.50000000000000 39.098 > 115 121 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 > 121 122 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 121 123 Zr 0.00000000000000 0.50000000000000 0.27178694783555 91.224 > 123 124 Zr 0.50000000000000 0.50000000000000 0.27178694783555 91.224 > 123 125 Zr 0.25000000000000 0.00000000000000 0.22821305216445 91.224 > 125 126 Zr 0.75000000000000 0.00000000000000 0.22821305216445 91.224 > 125 127 Zr 0.25000000000000 0.00000000000000 0.50000000000000 91.224 > 121 128 Zr 0.75000000000000 0.00000000000000 0.50000000000000 91.224 > 121 129 Zr 0.25000000000000 0.00000000000000 0.77178694783555 91.224 > 123 130 Zr 0.75000000000000 0.00000000000000 0.77178694783555 91.224 > 123 131 Zr 0.00000000000000 0.50000000000000 0.72821305216445 91.224 > 125 132 Zr 0.50000000000000 0.50000000000000 0.72821305216445 91.224 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3489053 0.0000000 0.0000000 0.0000000 3.2655207 0.0000000 0.0000000 0.0000000 3.4520668 -------------------------- Born effective charges -------------------------- 1 Li 0.9374219 -0.2762284 -0.0070535 -0.3083664 0.9595790 0.0766142 -0.1055011 0.1033461 0.8999892 2 Li 0.9374219 0.2762284 -0.0070535 0.3083664 0.9595790 -0.0766142 -0.1055011 -0.1033461 0.8999892 3 Li 0.9374219 -0.2762284 0.0070535 -0.3083664 0.9595790 -0.0766142 0.1055011 -0.1033461 0.8999892 4 Li 0.9374219 0.2762284 0.0070535 0.3083664 0.9595790 0.0766142 0.1055011 0.1033461 0.8999892 5 Li 0.9374219 0.2762284 -0.0070535 0.3083664 0.9595790 -0.0766142 -0.1055011 -0.1033461 0.8999892 6 Li 1.1316707 0.0000000 0.0000000 0.0000000 1.0573874 0.0000000 0.0000000 -0.0000000 1.1291140 7 Li 1.1316707 0.0000000 0.0000000 0.0000000 1.0573874 0.0000000 0.0000000 -0.0000000 1.1291140 8 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 0.0325756 0.0000000 0.0804595 0.7449808 9 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 0.0325756 0.0000000 0.0804595 0.7449808 10 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 -0.0325756 0.0000000 -0.0804595 0.7449808 11 Li 1.1387078 0.0000000 0.0000000 0.0000000 1.1352349 -0.0325756 0.0000000 -0.0804595 0.7449808 12 Li 0.9374219 0.2762284 0.0070535 0.3083664 0.9595790 0.0766142 0.1055011 0.1033461 0.8999892 13 Li 0.9374219 -0.2762284 -0.0070535 -0.3083664 0.9595790 0.0766142 -0.1055011 0.1033461 0.8999892 14 Li 0.9374219 -0.2762284 0.0070535 -0.3083664 0.9595790 -0.0766142 0.1055011 -0.1033461 0.8999892 15 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 0.2075236 0.0000000 0.3120920 -2.8663253 16 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 -0.6828670 0.0000000 -0.8431077 -2.1457355 17 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 0.6828670 0.0000000 0.8431077 -2.1457355 18 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 -0.6828670 0.0000000 -0.8431077 -2.1457355 19 O -1.5565494 0.0000000 0.0000000 0.0000000 -2.4102902 0.6828670 0.0000000 0.8431077 -2.1457355 20 O -3.0319403 0.0000000 -0.1262600 0.0000000 -1.6700429 0.0000000 0.0864725 -0.0000000 -1.5090762 21 O -3.0319403 0.0000000 0.1262600 0.0000000 -1.6700429 0.0000000 -0.0864725 -0.0000000 -1.5090762 22 O -3.0319403 0.0000000 -0.1262600 0.0000000 -1.6700429 0.0000000 0.0864725 -0.0000000 -1.5090762 23 O -3.0319403 0.0000000 0.1262600 0.0000000 -1.6700429 0.0000000 -0.0864725 -0.0000000 -1.5090762 24 O -2.8695843 0.0000000 0.0000000 0.0000000 -1.5253134 0.0000000 0.0000000 -0.0000000 -1.8264893 25 O -2.8695843 0.0000000 0.0000000 0.0000000 -1.5253134 0.0000000 0.0000000 -0.0000000 -1.8264893 26 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 -0.2075236 0.0000000 -0.3120920 -2.8663253 27 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 -0.2075236 0.0000000 -0.3120920 -2.8663253 28 O -1.4756357 0.0000000 0.0000000 0.0000000 -2.0413871 0.2075236 0.0000000 0.3120920 -2.8663253 29 K 1.0841776 0.0000000 0.0000000 0.0000000 1.1930023 0.0000000 0.0000000 -0.0000000 1.3937112 30 K 1.0841776 0.0000000 0.0000000 0.0000000 1.1930023 0.0000000 0.0000000 -0.0000000 1.3937112 31 Zr 4.4542455 0.0000000 0.0000000 0.0000000 3.0406648 0.0000000 0.0000000 -0.0000000 5.9078013 32 Zr 4.5277606 0.0000000 0.0000000 0.0000000 3.8892460 0.0000000 0.0000000 -0.0000000 4.3021190 33 Zr 4.5277606 0.0000000 0.0000000 0.0000000 3.8892460 0.0000000 0.0000000 -0.0000000 4.3021190 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 2 168 ] Grid generation matrix: [ 0 7 7 ] [ 6 0 6 ] [ 4 4 0 ] 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: 0.59, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 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 1.379 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 7.059 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.499 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 0.000 0.000) 0.000 8.281 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 9.310 ( 0.000 0.000 0.000) 0.000 9.355 ( 0.000 0.000 0.000) 0.000 9.633 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 9.883 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.388 ( 0.000 0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 10.444 ( 0.000 0.000 0.000) 0.000 10.585 ( 0.000 0.000 0.000) 0.000 10.720 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.168 ( 0.000 0.000 0.000) 0.000 11.317 ( 0.000 0.000 0.000) 0.000 11.790 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.275 ( 0.000 0.000 0.000) 0.000 12.314 ( 0.000 0.000 0.000) 0.000 12.558 ( 0.000 0.000 0.000) 0.000 12.675 ( 0.000 0.000 0.000) 0.000 13.130 ( 0.000 0.000 0.000) 0.000 13.170 ( 0.000 0.000 0.000) 0.000 13.373 ( 0.000 0.000 0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 13.911 ( 0.000 0.000 0.000) 0.000 13.928 ( 0.000 0.000 0.000) 0.000 14.118 ( 0.000 0.000 0.000) 0.000 14.363 ( 0.000 0.000 0.000) 0.000 14.488 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 14.939 ( 0.000 0.000 0.000) 0.000 14.980 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.246 ( 0.000 0.000 0.000) 0.000 15.354 ( 0.000 0.000 0.000) 0.000 15.410 ( 0.000 0.000 0.000) 0.000 15.494 ( 0.000 0.000 0.000) 0.000 15.677 ( 0.000 0.000 0.000) 0.000 15.978 ( 0.000 0.000 0.000) 0.000 15.991 ( 0.000 0.000 0.000) 0.000 16.190 ( 0.000 0.000 0.000) 0.000 16.357 ( 0.000 0.000 0.000) 0.000 16.506 ( 0.000 0.000 0.000) 0.000 16.617 ( 0.000 0.000 0.000) 0.000 16.625 ( 0.000 0.000 0.000) 0.000 16.741 ( 0.000 0.000 0.000) 0.000 16.879 ( 0.000 0.000 0.000) 0.000 17.033 ( 0.000 0.000 0.000) 0.000 17.054 ( 0.000 0.000 0.000) 0.000 17.170 ( 0.000 0.000 0.000) 0.000 17.299 ( 0.000 0.000 0.000) 0.000 17.642 ( 0.000 0.000 0.000) 0.000 17.701 ( 0.000 0.000 0.000) 0.000 17.872 ( 0.000 0.000 0.000) 0.000 18.179 ( 0.000 0.000 0.000) 0.000 18.198 ( 0.000 0.000 0.000) 0.000 18.480 ( 0.000 0.000 0.000) 0.000 18.594 ( 0.000 0.000 0.000) 0.000 19.034 ( 0.000 0.000 0.000) 0.000 20.224 ( 0.000 0.000 0.000) 0.000 20.677 ( 0.000 0.000 0.000) 0.000 21.801 ( 0.000 0.000 0.000) 0.000 21.975 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.000 -0.000 -0.000) 0.000 2.105 ( 0.000 -0.000 0.000) 0.000 2.174 ( 0.000 -0.000 -0.000) 0.000 2.523 ( 0.000 -0.000 -0.000) 0.000 2.630 ( 0.000 -0.000 -0.000) 0.000 3.153 ( 0.000 -0.000 -0.000) 0.000 3.222 ( 0.000 -0.000 -0.000) 0.000 3.327 ( 0.000 -0.000 -0.000) 0.000 3.873 ( 0.000 -0.000 -0.000) 0.000 4.195 ( -0.000 0.000 0.000) 0.000 4.232 ( 0.000 -0.000 -0.000) 0.000 4.345 ( 0.000 -0.000 -0.000) 0.000 4.462 ( 0.000 -0.000 -0.000) 0.000 4.917 ( -0.000 0.000 0.000) 0.000 4.962 ( 0.000 -0.000 0.000) 0.000 6.056 ( 0.000 -0.000 -0.000) 0.000 6.058 ( 0.000 -0.000 -0.000) 0.000 6.102 ( -0.000 0.000 0.000) 0.000 6.383 ( 0.000 -0.000 -0.000) 0.000 6.508 ( 0.000 -0.000 0.000) 0.000 6.776 ( -0.000 -0.000 -0.000) 0.000 7.399 ( 0.000 -0.000 -0.000) 0.000 7.494 ( 0.000 -0.000 -0.000) 0.000 7.734 ( 0.000 -0.000 -0.000) 0.000 7.786 ( -0.000 0.000 -0.000) 0.000 7.813 ( 0.000 -0.000 0.000) 0.000 7.893 ( 0.000 -0.000 0.000) 0.000 8.021 ( 0.000 -0.000 -0.000) 0.000 8.088 ( 0.000 -0.000 -0.000) 0.000 8.158 ( -0.000 0.000 -0.000) 0.000 8.163 ( 0.000 -0.000 0.000) 0.000 8.392 ( 0.000 -0.000 -0.000) 0.000 8.535 ( 0.000 -0.000 -0.000) 0.000 8.543 ( 0.000 -0.000 -0.000) 0.000 9.225 ( 0.000 -0.000 -0.000) 0.000 9.230 ( -0.000 0.000 0.000) 0.000 9.244 ( 0.000 -0.000 -0.000) 0.000 9.445 ( 0.000 -0.000 -0.000) 0.000 9.467 ( -0.000 0.000 0.000) 0.000 9.840 ( 0.000 -0.000 -0.000) 0.000 9.992 ( 0.000 -0.000 -0.000) 0.000 10.305 ( 0.000 -0.000 -0.000) 0.000 10.426 ( 0.000 -0.000 0.000) 0.000 10.432 ( 0.000 -0.000 -0.000) 0.000 10.526 ( -0.000 0.000 -0.000) 0.000 11.020 ( 0.000 -0.000 -0.000) 0.000 11.298 ( 0.000 -0.000 -0.000) 0.000 11.320 ( 0.000 -0.000 -0.000) 0.000 11.654 ( -0.000 0.000 -0.000) 0.000 11.738 ( 0.000 -0.000 -0.000) 0.000 11.995 ( 0.000 -0.000 0.000) 0.000 12.046 ( 0.000 -0.000 -0.000) 0.000 12.272 ( 0.000 -0.000 -0.000) 0.000 12.323 ( 0.000 -0.000 -0.000) 0.000 12.329 ( -0.000 0.000 -0.000) 0.000 12.948 ( 0.000 -0.000 -0.000) 0.000 13.122 ( 0.000 -0.000 -0.000) 0.000 13.210 ( -0.000 0.000 0.000) 0.000 13.313 ( 0.000 -0.000 -0.000) 0.000 13.396 ( 0.000 -0.000 -0.000) 0.000 13.478 ( 0.000 -0.000 -0.000) 0.000 13.951 ( 0.000 -0.000 -0.000) 0.000 14.241 ( 0.000 -0.000 -0.000) 0.000 14.380 ( 0.000 -0.000 -0.000) 0.000 14.598 ( 0.000 -0.000 0.000) 0.000 14.865 ( 0.000 -0.000 -0.000) 0.000 14.928 ( 0.000 -0.000 -0.000) 0.000 15.181 ( 0.000 -0.000 -0.000) 0.000 15.227 ( 0.000 -0.000 -0.000) 0.000 15.266 ( 0.000 -0.000 0.000) 0.000 15.503 ( 0.000 -0.000 -0.000) 0.000 15.542 ( 0.000 -0.000 -0.000) 0.000 15.638 ( 0.000 -0.000 0.000) 0.000 15.753 ( 0.000 -0.000 -0.000) 0.000 16.062 ( 0.000 -0.000 -0.000) 0.000 16.068 ( 0.000 -0.000 -0.000) 0.000 16.109 ( -0.000 0.000 -0.000) 0.000 16.349 ( 0.000 -0.000 -0.000) 0.000 16.547 ( 0.000 -0.000 -0.000) 0.000 16.636 ( -0.000 -0.000 -0.000) 0.000 16.658 ( 0.000 -0.000 -0.000) 0.000 16.673 ( 0.000 -0.000 -0.000) 0.000 17.145 ( 0.000 -0.000 -0.000) 0.000 17.202 ( -0.000 0.000 0.000) 0.000 17.241 ( -0.000 -0.000 -0.000) 0.000 17.256 ( 0.000 -0.000 -0.000) 0.000 17.624 ( 0.000 -0.000 -0.000) 0.000 17.693 ( 0.000 -0.000 -0.000) 0.000 17.944 ( 0.000 -0.000 0.000) 0.000 18.119 ( 0.000 -0.000 -0.000) 0.000 18.439 ( 0.000 -0.000 -0.000) 0.000 18.692 ( 0.000 -0.000 -0.000) 0.000 18.827 ( 0.000 -0.000 -0.000) 0.000 19.256 ( 0.000 -0.000 -0.000) 0.000 20.244 ( 0.000 -0.000 -0.000) 0.000 20.479 ( -0.000 0.000 -0.000) 0.000 20.989 ( 0.000 -0.000 -0.000) 0.000 21.437 ( 0.000 -0.000 0.000) 0.000 22.004 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 3 (3/72) ======================= q-point: ( 0.17 -0.42 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -7.947 23.292 -2.643) 24.752 2.238 ( -10.075 2.560 -2.207) 10.627 2.403 ( -16.833 2.020 -6.119) 18.024 2.785 ( -3.392 -4.226 -0.536) 5.445 2.887 ( -12.531 -9.055 -3.557) 15.864 3.019 ( -2.105 -2.001 -0.875) 3.033 3.251 ( -0.477 -0.851 1.070) 1.448 3.372 ( -8.190 4.664 2.109) 9.658 3.534 ( -4.291 4.625 -2.674) 6.853 3.733 ( 9.790 17.662 1.399) 20.242 4.169 ( 13.906 -18.176 0.653) 22.895 4.430 ( 1.026 0.058 7.372) 7.443 4.576 ( -6.465 3.990 -13.502) 15.492 4.938 ( -5.188 0.597 3.871) 6.500 5.158 ( -0.158 15.666 -2.524) 15.869 5.371 ( -0.195 -5.320 4.438) 6.931 6.086 ( 4.426 2.340 -3.508) 6.113 6.547 ( -5.098 -0.677 1.077) 5.254 6.765 ( -3.297 -0.176 0.721) 3.379 6.814 ( 3.764 -10.521 -0.808) 11.203 7.019 ( 2.591 -2.277 -0.729) 3.525 7.143 ( 4.004 -3.055 -1.466) 5.246 7.241 ( 7.206 5.036 7.383) 11.480 7.428 ( 1.019 8.273 5.448) 9.958 7.540 ( -0.674 3.055 2.155) 3.799 7.669 ( -2.166 1.529 -3.297) 4.231 7.759 ( 7.043 7.767 0.518) 10.498 8.114 ( -5.397 -9.045 3.690) 11.160 8.361 ( 2.478 -5.874 -3.008) 7.049 8.475 ( 0.104 -5.411 -1.300) 5.566 8.524 ( -3.813 6.457 -10.076) 12.560 8.661 ( -4.547 -7.090 -13.653) 16.042 8.829 ( -6.153 -7.950 0.797) 10.084 8.950 ( -0.973 -1.211 3.247) 3.600 9.083 ( 3.596 -8.608 -0.679) 9.354 9.350 ( -12.503 -15.237 -0.716) 19.723 9.460 ( 1.984 3.272 5.206) 6.461 9.611 ( 2.595 -1.901 1.485) 3.543 9.815 ( 3.259 -0.577 2.616) 4.219 9.867 ( 0.180 2.789 -1.902) 3.380 10.119 ( 12.969 -0.779 3.123) 13.362 10.311 ( 1.122 0.591 4.327) 4.509 10.398 ( -2.979 -1.538 0.286) 3.365 10.443 ( -3.164 1.243 0.665) 3.464 10.621 ( -5.136 19.925 -4.052) 20.972 10.730 ( -9.252 2.371 -1.064) 9.610 10.806 ( -15.375 2.782 -3.085) 15.926 11.110 ( 4.478 8.164 -1.991) 9.522 11.414 ( 3.884 5.676 7.142) 9.915 11.476 ( 3.121 2.044 0.942) 3.848 11.623 ( 23.029 -0.897 3.893) 23.373 11.940 ( -0.402 -6.068 -0.751) 6.127 12.097 ( 0.422 -6.893 -1.312) 7.030 12.408 ( -5.878 4.698 0.496) 7.541 12.539 ( 1.589 0.628 -1.444) 2.237 12.566 ( 2.651 1.711 -4.092) 5.167 13.104 ( 5.841 7.877 2.739) 10.182 13.230 ( 2.489 -1.204 0.707) 2.854 13.382 ( -5.692 -2.310 2.214) 6.529 13.645 ( -13.475 -6.089 3.975) 15.312 13.827 ( 9.356 -7.871 -4.673) 13.090 14.119 ( -6.256 6.424 -2.385) 9.278 14.284 ( -0.123 1.325 2.013) 2.414 14.568 ( -1.447 -0.042 -4.717) 4.934 14.666 ( -1.321 1.970 0.397) 2.405 14.755 ( -3.608 0.160 -4.275) 5.596 14.815 ( 1.071 0.735 -6.604) 6.731 14.983 ( -4.489 -0.077 4.883) 6.634 15.082 ( 3.143 -3.142 4.218) 6.127 15.304 ( -2.128 2.920 2.725) 4.526 15.423 ( 6.165 0.066 0.927) 6.234 15.485 ( 1.268 -1.405 -0.398) 1.934 15.583 ( 3.761 1.219 2.567) 4.713 15.692 ( 3.339 -2.412 -2.676) 4.912 15.750 ( 4.759 -1.814 4.610) 6.869 15.919 ( 2.689 2.991 -3.338) 5.227 16.036 ( -3.481 -2.692 -0.985) 4.510 16.214 ( -0.960 2.239 -1.900) 3.090 16.325 ( 3.332 -5.377 1.967) 6.624 16.527 ( 3.250 -4.448 2.823) 6.190 16.733 ( 2.950 -1.828 5.070) 6.144 16.826 ( -1.288 -8.331 2.995) 8.946 17.002 ( -3.702 2.027 -2.445) 4.878 17.198 ( 2.763 -4.845 -1.833) 5.871 17.231 ( -0.366 -2.803 -3.163) 4.242 17.295 ( 1.261 6.309 1.159) 6.538 17.448 ( -0.685 12.789 -8.885) 15.587 17.916 ( -0.082 0.261 1.959) 1.978 17.954 ( -3.195 -3.657 0.588) 4.892 18.108 ( -2.079 1.272 2.944) 3.822 18.316 ( 1.523 5.014 -1.232) 5.383 18.538 ( -1.538 -2.435 0.104) 2.882 18.834 ( -7.450 18.591 -3.875) 20.400 19.739 ( -1.675 7.125 -5.786) 9.330 20.304 ( -1.171 3.814 20.260) 20.649 21.168 ( -4.665 -2.344 -12.860) 13.879 21.609 ( 5.999 -3.707 4.276) 8.247 21.740 ( 4.833 -10.105 0.510) 11.213 22.359 ( -7.680 -16.257 1.991) 18.090 ======================= Grid point 4 (4/72) ======================= q-point: (-0.33 0.58 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -0.751 -9.820 0.136) 9.849 2.466 ( 4.666 -2.306 0.602) 5.240 2.540 ( -1.020 1.656 1.274) 2.325 2.676 ( -4.112 3.530 -0.594) 5.451 2.806 ( 5.089 10.229 4.371) 12.233 2.956 ( -3.837 -0.368 -0.291) 3.866 3.259 ( 7.057 5.331 -2.811) 9.280 3.396 ( -7.730 9.250 -2.573) 12.326 3.683 ( 0.759 3.673 -3.606) 5.203 3.959 ( 6.464 -17.098 4.126) 18.739 4.181 ( -5.045 -26.724 -2.817) 27.341 4.446 ( -4.021 -2.749 7.391) 8.852 4.596 ( 3.773 -4.331 -4.835) 7.509 4.903 ( -1.114 -0.240 -1.717) 2.060 5.251 ( -0.223 4.712 -0.953) 4.813 5.521 ( 2.128 5.400 -1.805) 6.078 6.111 ( 4.907 3.671 3.668) 7.142 6.492 ( -7.150 0.493 -5.812) 9.227 6.583 ( -0.527 4.830 1.015) 4.963 6.776 ( 2.242 -0.954 0.307) 2.456 6.899 ( -6.101 1.814 2.958) 7.019 7.117 ( 1.540 -4.495 2.759) 5.494 7.277 ( -3.535 -0.092 -3.105) 4.706 7.449 ( -0.705 2.818 0.639) 2.974 7.603 ( -0.893 -3.611 -1.395) 3.973 7.706 ( -4.690 -3.944 -1.518) 6.313 7.794 ( 2.335 0.411 7.289) 7.665 8.038 ( 2.518 -2.981 -0.173) 3.906 8.262 ( 1.309 4.604 0.502) 4.813 8.354 ( 4.195 6.553 -4.019) 8.758 8.532 ( -1.195 8.965 3.125) 9.569 8.684 ( -3.268 -3.334 4.883) 6.756 8.764 ( 6.040 10.756 2.942) 12.681 8.931 ( -5.113 3.832 -4.638) 7.896 8.953 ( -0.719 -2.796 1.511) 3.258 9.130 ( 2.927 5.228 -4.623) 7.568 9.583 ( -1.106 0.554 4.364) 4.536 9.596 ( 7.996 0.010 2.947) 8.522 9.705 ( -7.579 0.499 5.895) 9.615 9.825 ( 0.960 2.441 3.937) 4.731 9.955 ( -13.921 -8.609 -6.944) 17.780 10.292 ( -1.579 1.276 -6.389) 6.704 10.348 ( 2.863 0.508 -1.105) 3.111 10.582 ( 4.265 -0.511 -4.659) 6.336 10.793 ( -9.424 -1.319 2.278) 9.785 10.962 ( -3.368 0.676 -2.735) 4.391 11.130 ( -10.445 -9.541 -3.631) 14.605 11.248 ( 5.478 -3.681 2.241) 6.970 11.298 ( -2.865 -5.075 0.844) 5.888 11.452 ( 12.270 -6.265 5.438) 14.811 11.606 ( 2.592 -5.056 -2.621) 6.257 11.922 ( 7.940 5.691 -1.771) 9.929 12.016 ( 15.163 8.410 -0.968) 17.366 12.441 ( -0.125 -0.794 -0.337) 0.871 12.492 ( 3.520 -0.772 1.965) 4.104 12.900 ( 2.062 -8.063 -2.552) 8.705 13.073 ( -9.425 -0.890 1.608) 9.602 13.195 ( -8.889 1.085 3.054) 9.461 13.265 ( -4.456 -2.031 -0.582) 4.932 13.369 ( -12.214 1.368 3.397) 12.751 13.809 ( 11.460 7.935 -2.249) 14.120 14.269 ( -2.892 0.376 -2.431) 3.797 14.308 ( -1.983 -1.562 -0.499) 2.573 14.615 ( -2.518 4.749 3.083) 6.197 14.708 ( 5.703 -2.644 -0.814) 6.339 14.778 ( 1.897 -0.188 3.067) 3.611 14.884 ( 6.688 2.663 1.589) 7.372 14.938 ( 3.169 2.660 -3.065) 5.149 15.105 ( -2.241 -6.622 -1.267) 7.105 15.244 ( -5.278 1.192 -0.457) 5.431 15.410 ( 2.921 0.090 -1.367) 3.226 15.449 ( 1.798 0.589 1.721) 2.557 15.593 ( -0.605 -0.178 -2.814) 2.884 15.646 ( 5.536 1.933 -4.280) 7.259 15.673 ( -0.265 1.325 -2.898) 3.197 15.970 ( 2.259 -3.785 9.076) 10.090 16.136 ( 0.413 -3.170 1.462) 3.515 16.186 ( 6.340 4.530 0.732) 7.827 16.228 ( -2.496 0.956 1.675) 3.154 16.474 ( 3.613 2.323 -3.705) 5.673 16.685 ( 0.721 -0.579 -11.175) 11.213 16.755 ( 0.529 -0.218 2.886) 2.943 17.009 ( -1.306 4.252 -0.245) 4.455 17.074 ( -1.487 0.874 3.889) 4.255 17.227 ( 2.419 1.382 2.866) 3.997 17.358 ( -5.080 -4.743 -0.768) 6.992 17.666 ( -0.261 -2.682 2.657) 3.784 17.859 ( 0.405 5.052 -5.555) 7.519 17.944 ( 1.052 -1.996 5.390) 5.843 18.166 ( -3.079 -4.601 0.260) 5.543 18.350 ( -0.375 -0.165 3.475) 3.499 18.549 ( -0.048 -0.988 -5.603) 5.690 19.388 ( 2.754 -16.243 0.628) 16.487 19.860 ( -5.593 -7.219 3.098) 9.643 20.432 ( -4.398 -11.166 -12.481) 17.314 21.032 ( -3.952 11.262 5.496) 13.140 21.292 ( -11.938 7.448 6.508) 15.503 21.437 ( -9.018 -0.867 4.605) 10.163 22.138 ( 10.189 19.648 -6.802) 23.154 ======================= Grid point 5 (5/72) ======================= q-point: ( 0.35 0.15 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 11.405 5.398 17.691) 21.729 2.090 ( 9.993 11.185 17.419) 22.986 2.217 ( 1.704 6.433 -0.219) 6.658 2.505 ( 10.096 5.550 0.414) 11.528 2.700 ( 1.231 -3.737 -1.436) 4.189 2.959 ( -6.637 5.026 9.981) 12.997 3.188 ( -0.263 -1.031 -5.276) 5.382 3.346 ( 1.477 -1.561 4.756) 5.219 3.798 ( -1.867 11.777 1.443) 12.011 3.928 ( 11.456 4.433 -3.177) 12.688 4.168 ( -5.754 -0.352 5.449) 7.933 4.350 ( -1.788 3.135 -6.360) 7.312 4.640 ( 8.612 5.245 14.966) 18.046 5.007 ( -2.663 -4.855 -9.423) 10.929 5.213 ( 1.945 -3.263 -2.611) 4.610 5.453 ( -4.430 11.828 3.220) 13.034 6.215 ( -0.018 -6.234 -1.910) 6.520 6.290 ( -1.999 -14.853 3.725) 15.443 6.515 ( 2.926 -7.347 0.585) 7.930 6.744 ( 2.117 -8.589 -12.655) 15.440 6.864 ( 2.107 3.504 -0.745) 4.156 7.290 ( -4.921 7.788 -4.975) 10.470 7.340 ( -3.912 0.158 -1.859) 4.334 7.521 ( -2.912 5.560 -5.381) 8.267 7.646 ( -3.509 11.029 -4.511) 12.422 7.831 ( 0.320 6.418 -0.335) 6.435 7.950 ( 0.868 -8.010 -4.764) 9.360 7.995 ( -4.529 -6.057 3.983) 8.548 8.205 ( 9.021 4.065 0.558) 9.910 8.251 ( 1.489 -17.744 4.496) 18.365 8.393 ( 2.168 -5.979 3.008) 7.035 8.512 ( 2.591 -1.262 2.189) 3.619 8.584 ( 1.723 -6.104 0.863) 6.401 8.726 ( 10.419 -5.978 -1.370) 12.090 9.028 ( -2.663 5.390 1.721) 6.253 9.157 ( -4.448 -2.250 2.959) 5.797 9.395 ( 2.691 2.711 2.041) 4.331 9.439 ( 10.494 -3.509 -3.944) 11.747 9.623 ( 3.148 -3.456 -5.758) 7.417 9.956 ( -1.824 -1.827 -0.972) 2.758 10.033 ( 6.674 0.629 -3.307) 7.475 10.247 ( 1.089 2.058 0.858) 2.482 10.356 ( -0.072 -0.081 4.356) 4.357 10.392 ( -5.677 -2.861 1.682) 6.576 10.625 ( -0.905 3.957 -0.172) 4.063 10.846 ( -8.072 5.019 0.712) 9.532 11.193 ( -3.058 5.638 -2.061) 6.737 11.273 ( -0.338 0.388 1.229) 1.332 11.609 ( -9.392 1.112 8.048) 12.419 11.683 ( -4.452 4.633 1.519) 6.602 11.840 ( -2.104 -1.157 -3.730) 4.436 12.115 ( 6.149 2.177 5.073) 8.263 12.253 ( 5.538 4.899 2.644) 7.852 12.367 ( 1.075 -1.100 -3.665) 3.974 12.605 ( 13.991 -2.303 -5.912) 15.363 12.734 ( -12.504 3.262 1.299) 12.988 12.901 ( 1.026 1.111 -5.411) 5.618 13.194 ( -12.644 -0.771 2.215) 12.860 13.266 ( -7.439 -4.391 -3.129) 9.188 13.416 ( 0.148 3.802 -5.045) 6.319 13.740 ( 10.154 -10.618 2.285) 14.868 14.054 ( 3.812 -0.144 4.169) 5.650 14.242 ( 2.452 1.388 0.526) 2.866 14.393 ( 0.757 -3.287 4.185) 5.375 14.674 ( 0.668 -5.250 1.595) 5.528 14.859 ( 2.045 3.298 1.589) 4.193 14.984 ( 1.578 -0.054 -0.292) 1.606 15.087 ( -7.115 -0.827 0.156) 7.164 15.249 ( -1.646 2.715 -0.176) 3.180 15.328 ( 3.538 -3.162 -1.549) 4.991 15.375 ( -7.595 6.125 -1.046) 9.813 15.542 ( 2.393 1.795 -0.122) 2.994 15.594 ( 1.541 -6.133 0.002) 6.323 15.717 ( -2.105 4.045 2.097) 5.019 15.852 ( -6.476 -0.240 -8.693) 10.842 16.096 ( -0.938 3.447 -0.866) 3.676 16.123 ( 3.260 1.024 -2.478) 4.221 16.321 ( -4.582 4.955 1.363) 6.885 16.467 ( -10.940 1.310 0.393) 11.025 16.547 ( 2.361 -7.287 2.637) 8.101 16.723 ( -0.392 -1.470 4.206) 4.472 16.843 ( -0.374 -3.441 1.419) 3.741 17.083 ( -2.361 3.726 2.811) 5.231 17.131 ( -0.418 2.617 -4.671) 5.371 17.233 ( 1.721 2.492 -1.055) 3.207 17.304 ( -0.752 -1.236 -0.314) 1.480 17.541 ( -7.317 -5.983 -2.085) 9.679 17.734 ( 3.554 -6.171 1.877) 7.364 17.871 ( 5.141 9.713 -2.781) 11.336 18.248 ( 3.993 0.379 -0.876) 4.106 18.411 ( -2.012 1.674 1.991) 3.289 18.484 ( -12.389 -2.484 7.226) 14.556 19.015 ( 12.678 3.300 9.544) 16.208 19.533 ( 16.736 -4.085 2.445) 17.400 19.994 ( 6.773 19.292 -6.275) 21.387 20.776 ( 7.931 -8.262 -1.076) 11.503 21.012 ( 9.845 4.143 -13.905) 17.534 21.340 ( 2.731 2.132 -10.787) 11.330 22.213 ( -4.047 -17.445 13.848) 22.638 ======================= Grid point 6 (6/72) ======================= q-point: (-0.15 0.15 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 24.171 -22.497 -0.000) 33.021 1.133 ( 32.043 -20.925 -0.000) 38.270 1.671 ( 10.940 -28.447 -0.000) 30.479 2.055 ( 36.308 -25.099 -0.000) 44.139 2.530 ( 11.269 -4.184 -0.000) 12.021 2.897 ( 2.463 0.618 -0.000) 2.539 2.979 ( -0.209 -7.451 -0.000) 7.454 3.368 ( -1.682 3.637 0.000) 4.006 3.537 ( -7.859 0.109 0.000) 7.860 3.655 ( -1.154 -0.424 0.000) 1.229 4.069 ( -6.428 -22.400 -0.000) 23.304 4.187 ( 15.076 6.903 -0.000) 16.581 4.767 ( -5.235 19.142 0.000) 19.845 5.187 ( -10.935 -7.339 -0.000) 13.169 5.328 ( 1.539 -1.640 -0.000) 2.249 5.440 ( -0.555 6.405 0.000) 6.429 6.312 ( -2.529 10.996 0.000) 11.283 6.468 ( -7.259 4.801 0.000) 8.703 6.703 ( -4.265 -10.915 -0.000) 11.719 6.827 ( 7.306 18.040 0.000) 19.463 7.121 ( -4.528 -6.016 -0.000) 7.529 7.274 ( 4.174 4.967 0.000) 6.488 7.380 ( 0.050 -1.708 -0.000) 1.708 7.490 ( -0.462 -5.691 -0.000) 5.709 7.664 ( -0.627 -6.088 -0.000) 6.121 7.681 ( 0.427 -15.552 -0.000) 15.558 8.077 ( -7.739 0.921 0.000) 7.794 8.126 ( -12.880 -1.831 0.000) 13.009 8.243 ( 3.250 5.343 0.000) 6.254 8.426 ( -11.106 3.174 0.000) 11.551 8.511 ( -1.549 11.013 0.000) 11.122 8.575 ( 8.815 8.570 0.000) 12.294 8.695 ( -2.293 -11.088 -0.000) 11.322 8.761 ( 9.124 12.473 0.000) 15.454 8.813 ( 0.929 0.358 -0.000) 0.995 9.104 ( 0.518 8.705 0.000) 8.720 9.496 ( 2.229 -6.498 -0.000) 6.870 9.566 ( 0.208 -0.863 -0.000) 0.887 9.738 ( 5.595 7.233 0.000) 9.144 9.825 ( 11.460 0.925 -0.000) 11.497 10.062 ( 16.159 2.243 -0.000) 16.314 10.072 ( -7.723 7.479 0.000) 10.751 10.436 ( 0.376 -12.387 -0.000) 12.392 10.482 ( -1.593 7.341 0.000) 7.512 10.633 ( 1.490 -5.475 -0.000) 5.674 10.766 ( -8.388 4.101 0.000) 9.337 10.861 ( -12.116 -8.634 -0.000) 14.877 11.014 ( 8.177 -16.767 -0.000) 18.655 11.266 ( 3.209 -1.118 -0.000) 3.398 11.479 ( -6.659 -10.616 -0.000) 12.532 11.910 ( 6.669 -0.210 -0.000) 6.672 12.105 ( 2.506 -0.966 -0.000) 2.686 12.220 ( -5.564 1.618 0.000) 5.795 12.451 ( 4.412 -2.487 -0.000) 5.065 12.596 ( -11.527 -2.448 0.000) 11.784 12.961 ( 9.522 4.111 -0.000) 10.371 13.042 ( -12.705 -0.927 0.000) 12.739 13.162 ( 5.749 4.044 0.000) 7.029 13.330 ( -0.793 2.919 0.000) 3.025 13.556 ( -13.068 0.412 0.000) 13.075 13.915 ( 5.194 6.007 0.000) 7.941 13.937 ( -0.848 -2.404 -0.000) 2.549 14.266 ( 8.466 3.327 -0.000) 9.097 14.339 ( -2.088 1.754 0.000) 2.728 14.482 ( 1.700 -0.731 -0.000) 1.851 14.716 ( 2.445 -5.150 -0.000) 5.701 15.011 ( -9.869 -2.416 0.000) 10.160 15.033 ( 5.317 0.782 -0.000) 5.374 15.176 ( -7.011 -14.998 -0.000) 16.555 15.325 ( -3.784 -1.070 0.000) 3.932 15.370 ( -0.498 -0.975 -0.000) 1.095 15.538 ( 7.925 1.668 -0.000) 8.099 15.678 ( -3.255 -1.786 0.000) 3.713 15.846 ( 3.085 14.199 0.000) 14.530 16.016 ( -5.531 -5.630 -0.000) 7.892 16.172 ( -0.034 -2.916 -0.000) 2.916 16.178 ( -0.496 9.217 0.000) 9.230 16.216 ( -8.049 2.409 0.000) 8.401 16.477 ( 2.798 -0.103 -0.000) 2.800 16.512 ( -1.625 6.553 0.000) 6.751 16.671 ( 2.898 3.652 0.000) 4.663 16.970 ( 5.142 9.155 0.000) 10.500 16.972 ( -3.796 -0.959 0.000) 3.915 17.118 ( 1.214 -9.267 -0.000) 9.346 17.194 ( 1.947 -3.248 -0.000) 3.787 17.258 ( -0.281 2.530 0.000) 2.545 17.510 ( -12.036 0.059 0.000) 12.036 17.826 ( 2.268 -7.751 -0.000) 8.076 17.906 ( -0.169 1.035 0.000) 1.048 18.142 ( -6.308 0.224 0.000) 6.312 18.293 ( 10.731 -5.213 -0.000) 11.930 18.389 ( 5.871 5.936 0.000) 8.349 18.539 ( -2.335 -3.602 -0.000) 4.293 19.367 ( 16.149 -7.403 -0.000) 17.765 20.357 ( 9.146 -1.874 -0.000) 9.336 20.722 ( 5.584 1.371 -0.000) 5.750 21.731 ( 2.913 8.622 0.000) 9.101 21.867 ( -0.606 9.735 0.000) 9.754 21.940 ( 14.269 16.547 0.000) 21.850 ======================= Grid point 7 (7/72) ======================= q-point: ( 0.52 -0.27 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -10.475 7.944 -1.214) 13.202 2.327 ( -4.455 0.318 -0.145) 4.468 2.354 ( -6.357 13.541 5.489) 15.934 2.605 ( 2.790 0.322 4.297) 5.134 2.795 ( 2.394 1.440 5.866) 6.497 2.904 ( -6.403 0.080 -3.045) 7.090 3.296 ( 2.385 -0.538 -3.408) 4.194 3.369 ( -8.186 3.655 -10.873) 14.092 3.407 ( 8.467 -6.204 -1.037) 10.548 4.170 ( -4.013 -3.853 10.452) 11.840 4.212 ( -5.236 10.379 6.228) 13.188 4.656 ( -8.200 -17.318 -2.229) 19.290 4.779 ( 0.734 10.470 -9.023) 13.840 4.974 ( -2.742 0.982 -4.798) 5.613 5.187 ( 3.266 7.423 7.047) 10.744 5.342 ( 8.255 -3.540 4.636) 10.108 6.000 ( 0.739 6.298 4.717) 7.903 6.383 ( -7.280 -5.745 -6.722) 11.454 6.540 ( 0.181 -0.189 -5.430) 5.436 6.666 ( -12.639 -2.730 4.261) 13.615 7.016 ( 5.435 -3.494 -6.185) 8.944 7.193 ( 5.047 -1.396 -3.265) 6.171 7.339 ( 5.327 -10.776 4.973) 13.009 7.354 ( 3.118 6.240 3.957) 8.020 7.663 ( -1.805 -3.961 8.729) 9.754 7.753 ( 3.697 4.591 -3.490) 6.850 7.921 ( 0.371 -15.167 0.786) 15.192 8.055 ( -0.135 14.667 -3.348) 15.045 8.179 ( -2.383 -3.769 -3.320) 5.559 8.241 ( -1.604 6.309 -0.241) 6.514 8.394 ( -2.404 -1.422 -0.308) 2.810 8.599 ( 0.262 11.957 2.008) 12.127 8.652 ( -10.044 -2.935 4.906) 11.557 8.783 ( -5.624 -4.710 -4.230) 8.468 8.993 ( 4.061 0.632 -1.495) 4.373 9.084 ( -1.219 1.511 2.265) 2.983 9.484 ( -10.100 -0.390 3.400) 10.664 9.647 ( -4.387 -2.073 -0.482) 4.876 9.699 ( 0.474 -2.266 3.649) 4.321 9.840 ( 7.174 2.181 0.713) 7.532 9.963 ( 0.120 -5.032 -1.648) 5.296 10.251 ( -2.147 -0.964 1.320) 2.698 10.373 ( -2.516 -0.182 -4.045) 4.767 10.468 ( -12.790 2.355 0.187) 13.006 10.699 ( 5.614 1.936 -5.560) 8.135 10.796 ( -3.009 -0.151 4.298) 5.249 11.169 ( -0.312 1.626 -1.284) 2.096 11.305 ( -2.024 -1.644 4.164) 4.913 11.492 ( 7.979 1.783 -3.269) 8.805 11.628 ( 5.885 2.445 2.669) 6.909 11.781 ( 2.732 -5.710 -3.313) 7.144 12.067 ( 11.926 3.029 -0.250) 12.307 12.281 ( 14.502 1.834 -2.607) 14.848 12.520 ( 0.502 1.189 0.694) 1.465 12.576 ( -1.479 4.101 2.503) 5.027 12.757 ( -2.036 -2.249 -3.664) 4.757 12.879 ( 3.290 -2.079 1.666) 4.233 13.037 ( -16.191 -4.075 -2.003) 16.815 13.196 ( -3.385 -2.888 1.908) 4.842 13.525 ( 2.523 -11.034 3.656) 11.894 13.723 ( -0.917 10.184 -2.984) 10.652 14.129 ( -4.273 2.750 0.088) 5.082 14.279 ( -2.706 -1.390 2.056) 3.672 14.406 ( -5.145 4.906 2.740) 7.619 14.686 ( -3.870 2.322 -3.421) 5.663 14.887 ( 5.336 -1.324 0.170) 5.501 14.943 ( 2.989 -0.033 0.617) 3.052 15.037 ( -0.886 4.545 1.883) 4.999 15.218 ( 9.761 -6.144 -4.209) 12.278 15.278 ( 2.849 -3.333 0.172) 4.388 15.360 ( -1.069 2.958 0.162) 3.149 15.462 ( 0.117 -2.568 3.062) 3.998 15.631 ( 1.198 1.615 -3.573) 4.100 15.710 ( -1.001 0.943 1.065) 1.740 15.827 ( 9.232 -4.922 -7.888) 13.102 16.076 ( 10.196 4.824 3.914) 11.939 16.122 ( -0.005 0.425 0.816) 0.920 16.197 ( 0.616 -5.258 2.598) 5.897 16.401 ( 6.273 -1.104 -3.606) 7.319 16.409 ( 3.878 5.560 2.025) 7.075 16.704 ( -2.448 4.163 1.490) 5.055 16.860 ( 1.419 -3.202 0.563) 3.547 16.971 ( 6.190 -1.269 -2.612) 6.837 17.063 ( 1.878 -1.030 1.232) 2.470 17.198 ( 0.852 2.707 0.274) 2.851 17.307 ( -5.660 -1.694 1.920) 6.212 17.597 ( -7.262 -0.093 -3.589) 8.101 17.761 ( -2.613 1.559 -2.811) 4.142 18.049 ( 6.783 -0.312 7.843) 10.374 18.184 ( -2.924 0.015 2.053) 3.573 18.359 ( 0.089 -2.060 -0.607) 2.150 18.508 ( -2.765 2.619 -5.640) 6.806 19.296 ( -16.069 10.153 5.760) 19.862 19.802 ( -12.734 -3.539 -2.801) 13.510 20.528 ( -8.450 0.509 -3.128) 9.024 20.720 ( -8.001 -4.912 -1.900) 9.579 21.270 ( 1.134 -13.931 7.036) 15.648 21.298 ( -11.762 -5.680 1.982) 13.212 21.951 ( 7.641 13.438 -6.175) 16.646 ======================= Grid point 8 (8/72) ======================= q-point: ( 0.02 -0.27 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -12.965 -0.000 -13.273) 18.555 1.793 ( -34.354 -0.000 -10.626) 35.960 1.973 ( -18.546 -0.000 -6.953) 19.807 2.656 ( -15.906 -0.000 -6.004) 17.001 2.735 ( -9.156 -0.000 -2.478) 9.485 2.917 ( -10.003 -0.000 1.947) 10.191 3.246 ( -19.686 -0.000 -11.082) 22.591 3.325 ( 7.203 0.000 4.790) 8.651 3.401 ( 0.474 0.000 1.590) 1.659 3.692 ( 8.989 -0.000 -6.163) 10.899 3.827 ( -14.815 -0.000 -15.923) 21.749 4.571 ( -13.826 -0.000 4.365) 14.498 4.716 ( 16.278 0.000 6.210) 17.423 4.972 ( 8.434 0.000 -1.217) 8.521 5.169 ( 10.506 0.000 1.112) 10.565 5.459 ( -0.339 0.000 6.432) 6.441 6.142 ( 8.148 0.000 2.876) 8.641 6.505 ( -1.495 -0.000 -6.475) 6.646 6.619 ( -3.343 -0.000 -5.647) 6.562 7.085 ( 5.002 0.000 8.276) 9.670 7.091 ( 3.346 0.000 2.599) 4.237 7.194 ( 0.182 0.000 3.067) 3.072 7.335 ( 5.842 0.000 1.704) 6.085 7.451 ( 2.787 0.000 9.346) 9.752 7.486 ( 0.955 0.000 -0.248) 0.986 7.550 ( -3.088 -0.000 -5.999) 6.747 7.737 ( 4.561 0.000 8.333) 9.499 8.141 ( -2.881 -0.000 -7.660) 8.183 8.359 ( 0.366 -0.000 -10.312) 10.319 8.470 ( 0.829 -0.000 -3.486) 3.583 8.502 ( -2.810 0.000 1.775) 3.323 8.760 ( -5.818 -0.000 -0.055) 5.818 8.807 ( 1.297 -0.000 -6.239) 6.372 8.960 ( -4.500 -0.000 -0.728) 4.558 9.202 ( -0.579 -0.000 -1.135) 1.274 9.259 ( -11.190 -0.000 -5.956) 12.676 9.505 ( 0.849 -0.000 -5.648) 5.712 9.700 ( -12.765 -0.000 2.982) 13.109 9.721 ( 3.504 0.000 12.745) 13.218 10.029 ( 13.453 0.000 5.823) 14.659 10.046 ( -1.956 0.000 2.166) 2.918 10.193 ( -19.462 -0.000 -0.770) 19.477 10.278 ( -4.555 -0.000 -6.220) 7.710 10.417 ( 7.332 0.000 0.928) 7.390 10.468 ( 6.922 -0.000 -8.157) 10.698 10.634 ( 8.309 -0.000 -4.237) 9.327 10.778 ( -2.704 0.000 10.715) 11.051 11.138 ( 10.361 -0.000 -5.765) 11.857 11.205 ( -10.190 -0.000 4.190) 11.018 11.405 ( -7.074 -0.000 -3.528) 7.905 11.916 ( 5.713 0.000 3.457) 6.677 12.162 ( -4.818 -0.000 -1.001) 4.921 12.179 ( 1.183 0.000 1.513) 1.920 12.269 ( 17.590 0.000 -1.133) 17.627 12.515 ( -4.435 -0.000 -0.089) 4.435 12.820 ( 14.845 0.000 -5.328) 15.772 13.173 ( 12.761 0.000 5.563) 13.921 13.174 ( -16.465 -0.000 4.648) 17.109 13.301 ( 3.410 0.000 2.432) 4.188 13.371 ( -15.118 -0.000 5.068) 15.945 13.934 ( -0.471 -0.000 -2.609) 2.651 14.117 ( 0.033 -0.000 -6.023) 6.023 14.270 ( -0.187 0.000 3.181) 3.187 14.560 ( -0.478 -0.000 -5.588) 5.608 14.592 ( -3.308 -0.000 -7.208) 7.931 14.709 ( -0.205 -0.000 -2.561) 2.569 14.853 ( 4.200 -0.000 -5.906) 7.248 14.860 ( -1.798 0.000 4.966) 5.282 15.160 ( -1.349 0.000 5.616) 5.776 15.275 ( 4.736 -0.000 -5.330) 7.130 15.344 ( -4.845 -0.000 0.721) 4.899 15.587 ( 4.125 0.000 0.599) 4.168 15.668 ( -3.640 0.000 4.826) 6.045 15.806 ( 5.928 0.000 0.039) 5.928 15.962 ( 13.126 0.000 5.059) 14.067 16.011 ( -1.941 -0.000 0.725) 2.072 16.021 ( 13.506 0.000 -2.069) 13.663 16.170 ( -1.858 -0.000 -2.576) 3.176 16.494 ( -0.293 0.000 2.129) 2.149 16.601 ( 6.441 0.000 7.272) 9.715 16.889 ( 0.924 0.000 0.943) 1.320 16.896 ( -1.373 -0.000 -4.147) 4.369 16.949 ( -0.617 0.000 5.771) 5.804 17.129 ( -5.457 -0.000 -1.449) 5.646 17.249 ( -1.170 0.000 2.378) 2.650 17.338 ( 0.083 -0.000 -5.856) 5.857 17.350 ( 7.442 0.000 -2.341) 7.802 17.842 ( -7.496 -0.000 -1.445) 7.634 17.984 ( 10.911 0.000 5.177) 12.077 18.048 ( -6.148 -0.000 -3.708) 7.180 18.268 ( 0.721 -0.000 -3.389) 3.465 18.496 ( -2.801 -0.000 -7.966) 8.444 18.543 ( -2.166 -0.000 0.458) 2.213 19.519 ( -10.966 -0.000 -4.418) 11.823 20.197 ( -6.330 0.000 20.848) 21.788 21.030 ( -10.362 -0.000 -9.162) 13.832 21.711 ( -1.811 0.000 11.026) 11.174 21.815 ( -8.915 0.000 12.826) 15.620 22.470 ( -1.139 -0.000 -5.154) 5.278 ======================= Grid point 9 (9/72) ======================= q-point: (-0.31 0.31 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 16.750 -16.262 -0.000) 23.346 2.052 ( 19.172 -14.204 -0.000) 23.860 2.250 ( 1.476 -12.859 -0.000) 12.943 2.490 ( 9.750 1.673 -0.000) 9.893 2.775 ( -1.583 -0.915 -0.000) 1.829 2.946 ( 3.656 0.745 -0.000) 3.731 3.274 ( 0.215 -1.956 -0.000) 1.967 3.352 ( 3.527 -1.873 -0.000) 3.993 3.636 ( 3.259 -15.967 -0.000) 16.296 3.996 ( -14.270 25.739 0.000) 29.431 4.199 ( 18.016 -1.640 -0.000) 18.090 4.412 ( 25.100 -18.392 -0.000) 31.117 4.460 ( -6.314 -24.732 -0.000) 25.525 5.043 ( -11.501 -1.942 0.000) 11.664 5.282 ( -2.699 9.827 0.000) 10.190 5.343 ( -2.178 1.358 0.000) 2.567 5.992 ( -0.956 9.758 0.000) 9.805 6.502 ( 10.729 -0.131 -0.000) 10.729 6.664 ( -1.181 3.615 0.000) 3.803 6.760 ( -1.129 4.192 0.000) 4.341 7.092 ( -10.363 -0.903 0.000) 10.402 7.140 ( -3.664 -2.797 -0.000) 4.609 7.352 ( 4.117 6.200 0.000) 7.443 7.604 ( -13.358 13.959 0.000) 19.321 7.663 ( 0.535 -8.323 -0.000) 8.340 7.776 ( 3.906 5.346 0.000) 6.621 7.935 ( -1.392 3.674 0.000) 3.929 8.029 ( -4.496 -10.981 -0.000) 11.865 8.207 ( -2.635 10.014 0.000) 10.354 8.223 ( 6.640 2.125 -0.000) 6.972 8.328 ( -2.716 -9.522 -0.000) 9.902 8.521 ( 3.830 10.776 0.000) 11.436 8.645 ( 3.925 -1.779 -0.000) 4.310 8.901 ( 3.309 -5.741 -0.000) 6.626 8.922 ( 6.316 3.315 -0.000) 7.133 9.044 ( -3.420 1.307 0.000) 3.661 9.511 ( 10.974 7.277 0.000) 13.168 9.671 ( -1.019 -3.631 -0.000) 3.772 9.707 ( 1.169 2.952 0.000) 3.175 9.810 ( -5.283 4.643 0.000) 7.034 10.218 ( 10.186 0.311 -0.000) 10.191 10.229 ( -3.382 7.549 0.000) 8.272 10.336 ( 22.662 -4.287 -0.000) 23.064 10.531 ( -2.530 -0.232 0.000) 2.541 10.541 ( -5.914 -2.061 0.000) 6.263 10.827 ( -5.850 -1.911 0.000) 6.154 10.923 ( 1.892 -17.400 -0.000) 17.502 11.324 ( -0.584 0.579 0.000) 0.822 11.455 ( 7.327 -4.450 -0.000) 8.572 11.547 ( -4.565 -4.609 -0.000) 6.486 11.911 ( -5.325 2.499 0.000) 5.883 12.066 ( -6.400 1.723 0.000) 6.627 12.197 ( -12.066 -4.699 0.000) 12.949 12.406 ( 0.151 -5.344 -0.000) 5.347 12.540 ( -3.385 0.503 0.000) 3.422 12.776 ( -15.645 -1.093 0.000) 15.684 12.989 ( 10.785 5.610 -0.000) 12.156 13.198 ( 13.698 5.778 -0.000) 14.867 13.243 ( -0.754 3.156 0.000) 3.245 13.555 ( -0.266 -7.799 -0.000) 7.804 13.742 ( -4.036 11.848 0.000) 12.517 14.050 ( 6.231 -3.275 -0.000) 7.039 14.285 ( 2.385 1.188 -0.000) 2.665 14.323 ( 5.620 1.620 -0.000) 5.849 14.623 ( 3.958 -5.136 -0.000) 6.484 14.891 ( 0.623 -5.878 -0.000) 5.911 14.900 ( -7.065 -1.012 0.000) 7.137 14.991 ( -4.724 2.447 0.000) 5.320 15.282 ( -4.619 -3.864 -0.000) 6.022 15.347 ( -0.478 1.357 0.000) 1.439 15.353 ( -0.814 -1.472 -0.000) 1.682 15.541 ( -3.504 7.371 0.000) 8.161 15.631 ( 3.157 -0.290 -0.000) 3.171 15.681 ( 1.167 1.399 0.000) 1.822 15.925 ( -14.964 -1.612 0.000) 15.050 15.999 ( -4.448 -2.329 0.000) 5.021 16.050 ( -5.305 -1.806 0.000) 5.604 16.278 ( -2.332 0.790 0.000) 2.462 16.328 ( -6.095 1.484 0.000) 6.273 16.484 ( -0.682 2.498 0.000) 2.590 16.581 ( 4.656 1.491 -0.000) 4.889 16.951 ( 4.591 6.423 0.000) 7.895 16.987 ( 1.211 -2.464 -0.000) 2.745 17.139 ( -9.007 2.935 0.000) 9.473 17.144 ( -2.104 -1.561 -0.000) 2.620 17.333 ( 2.322 1.898 0.000) 2.999 17.505 ( 5.833 -11.037 -0.000) 12.484 17.860 ( 5.019 4.179 0.000) 6.530 17.973 ( -4.873 3.095 0.000) 5.773 18.029 ( -1.139 -6.898 -0.000) 6.991 18.394 ( -0.080 0.534 0.000) 0.540 18.601 ( 3.101 0.144 -0.000) 3.105 18.855 ( 17.569 -17.777 -0.000) 24.994 19.808 ( 11.394 -6.374 -0.000) 13.056 20.572 ( 7.516 -1.482 -0.000) 7.661 20.809 ( 7.017 2.718 -0.000) 7.525 21.531 ( -3.329 17.153 0.000) 17.473 21.584 ( 6.215 12.349 0.000) 13.825 21.857 ( 0.721 3.865 0.000) 3.932 ======================= Grid point 10 (10/72) ======================= q-point: ( 0.19 0.31 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 3.693 19.684 10.211) 22.480 2.132 ( 16.848 3.670 15.944) 23.485 2.219 ( 12.350 4.736 9.539) 16.308 2.696 ( 13.242 -1.736 4.105) 13.972 2.835 ( 6.214 1.427 7.586) 9.909 2.884 ( 2.198 -5.760 -1.204) 6.281 3.253 ( 2.624 -0.353 0.379) 2.674 3.341 ( -5.233 1.136 1.581) 5.583 3.539 ( 3.366 7.197 2.748) 8.407 3.932 ( -8.504 12.843 -1.132) 15.445 4.187 ( -0.620 -8.794 3.582) 9.516 4.406 ( 18.622 2.411 1.993) 18.882 4.569 ( -7.346 -3.321 -1.185) 8.149 4.918 ( -3.829 2.434 -4.561) 6.433 5.150 ( -2.984 -3.444 -1.273) 4.731 5.382 ( -1.024 5.434 3.703) 6.655 6.213 ( -2.860 9.043 -4.411) 10.460 6.519 ( -1.122 -10.579 5.309) 11.890 6.678 ( 1.965 -4.725 -0.698) 5.165 6.867 ( 0.051 -7.226 -2.433) 7.625 7.011 ( 5.973 -4.554 -8.570) 11.396 7.048 ( -3.558 5.699 -6.830) 9.580 7.243 ( -4.701 1.974 -2.565) 5.707 7.377 ( -2.336 4.751 -0.731) 5.344 7.510 ( 1.347 0.170 -0.188) 1.371 7.643 ( -0.076 8.407 -4.137) 9.370 7.854 ( -4.014 11.191 -0.588) 11.903 8.111 ( -3.499 -11.884 5.572) 13.584 8.322 ( 5.574 -6.795 -1.979) 9.009 8.508 ( 0.063 -0.901 0.858) 1.246 8.636 ( 2.431 4.447 2.793) 5.786 8.692 ( 8.722 -4.045 0.505) 9.627 8.787 ( 7.511 -11.565 3.694) 14.276 8.966 ( -3.209 -7.764 2.861) 8.875 9.113 ( 3.118 -10.656 1.273) 11.176 9.229 ( -0.566 -7.918 0.888) 7.988 9.346 ( 2.734 2.364 -0.356) 3.632 9.668 ( 3.385 3.618 -2.099) 5.381 9.745 ( -1.203 -7.485 -5.279) 9.238 9.914 ( -4.449 4.158 2.167) 6.464 10.147 ( 10.160 -1.559 -0.337) 10.284 10.242 ( -1.727 -6.296 -3.074) 7.216 10.251 ( -0.549 10.684 0.762) 10.725 10.403 ( 0.464 0.969 -0.147) 1.085 10.482 ( 7.755 1.217 -1.708) 8.033 10.743 ( 5.508 5.909 -2.333) 8.408 10.858 ( -10.694 10.336 4.926) 15.668 11.215 ( -1.688 5.999 -2.553) 6.734 11.336 ( -12.482 3.404 6.805) 14.618 11.507 ( -1.523 2.802 2.776) 4.228 11.800 ( -7.544 -1.086 -6.186) 9.816 12.138 ( -2.606 -2.106 5.274) 6.249 12.281 ( -10.638 -0.731 1.781) 10.811 12.293 ( 4.271 4.338 1.184) 6.202 12.534 ( 5.507 2.213 0.472) 5.954 12.831 ( -12.547 -4.238 -0.671) 13.260 13.054 ( 11.809 -3.838 -1.237) 12.478 13.138 ( -2.586 2.268 -5.080) 6.135 13.216 ( 2.359 3.289 -5.883) 7.141 13.230 ( 6.580 -0.361 -6.488) 9.248 14.011 ( -2.823 -1.307 3.727) 4.855 14.144 ( 6.260 -5.392 4.388) 9.355 14.252 ( 1.087 1.144 0.076) 1.580 14.583 ( 3.867 -5.176 5.888) 8.741 14.756 ( -1.689 -0.295 3.141) 3.578 14.799 ( 2.423 4.154 2.455) 5.400 14.876 ( -5.640 5.710 -1.223) 8.118 14.945 ( -1.348 -0.650 -0.255) 1.519 15.083 ( -5.592 -1.373 3.177) 6.576 15.345 ( 2.915 0.415 2.272) 3.719 15.431 ( -0.954 3.855 -0.231) 3.978 15.496 ( -3.559 -4.501 -4.662) 7.394 15.580 ( -0.405 1.705 -1.346) 2.210 15.756 ( -6.418 -2.425 -5.204) 8.612 15.826 ( -5.334 -3.343 -0.764) 6.341 16.009 ( 2.213 -0.574 3.525) 4.201 16.117 ( -10.565 0.835 2.484) 10.885 16.200 ( 2.859 -2.810 -0.854) 4.099 16.287 ( 0.675 1.731 -4.108) 4.509 16.613 ( -6.155 0.843 -0.176) 6.214 16.717 ( -5.465 -3.639 -4.730) 8.092 16.846 ( -0.772 -5.267 6.254) 8.213 16.976 ( 3.043 0.396 2.653) 4.056 17.155 ( 4.832 0.002 -4.972) 6.933 17.196 ( 1.211 3.028 -3.695) 4.928 17.335 ( -4.546 -2.226 -0.099) 5.063 17.517 ( 3.337 10.838 -1.768) 11.477 17.861 ( 5.121 -3.267 4.446) 7.528 17.969 ( -1.884 -6.144 3.464) 7.300 18.065 ( -6.418 3.949 -1.901) 7.772 18.353 ( 0.151 0.791 2.484) 2.612 18.507 ( 2.074 -1.882 0.636) 2.872 18.903 ( 1.438 17.138 8.312) 19.101 19.777 ( 11.515 12.158 6.423) 17.935 19.868 ( 6.048 -0.224 -10.349) 11.989 21.099 ( 14.703 -3.666 1.195) 15.200 21.400 ( 18.629 -7.268 -15.190) 25.111 21.447 ( 3.738 -2.480 -11.980) 12.793 22.477 ( -5.187 -14.254 11.717) 19.167 ======================= Grid point 11 (11/72) ======================= q-point: (-0.14 -0.11 -0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -21.756 -16.925 -21.239) 34.798 1.330 ( -20.846 -16.974 -21.598) 34.484 1.800 ( -3.953 -20.699 -8.718) 22.805 2.323 ( -23.053 -13.538 -20.920) 33.947 2.516 ( -14.879 -6.094 -1.221) 16.125 2.816 ( -3.967 -5.352 4.641) 8.119 3.016 ( -9.801 -4.939 -9.297) 14.384 3.398 ( 6.390 4.312 4.324) 8.838 3.530 ( 6.633 -1.810 0.919) 6.937 3.768 ( -1.130 -0.115 -8.597) 8.671 4.055 ( 0.946 -13.005 0.866) 13.068 4.252 ( -5.703 -0.361 -4.803) 7.465 4.744 ( 4.191 16.889 2.413) 17.568 5.133 ( 8.841 -5.765 4.924) 11.646 5.305 ( -2.292 1.907 3.077) 4.285 5.395 ( 3.190 2.360 2.101) 4.490 6.347 ( 2.570 2.020 2.657) 4.213 6.496 ( 8.434 8.756 -6.390) 13.734 6.660 ( 0.324 -5.104 2.274) 5.597 6.835 ( -6.060 14.098 -0.122) 15.346 7.143 ( -1.920 3.008 7.708) 8.494 7.294 ( 3.688 -2.379 3.061) 5.351 7.339 ( 2.295 1.869 -1.153) 3.176 7.476 ( 0.805 -4.127 0.332) 4.218 7.562 ( 7.933 -9.962 4.028) 13.357 7.713 ( 1.669 -3.096 0.688) 3.584 7.991 ( 2.342 -10.336 6.355) 12.358 8.158 ( 3.615 4.574 -1.245) 5.961 8.185 ( -0.333 6.790 0.724) 6.836 8.476 ( -1.558 3.871 0.113) 4.174 8.494 ( 0.909 3.532 -1.586) 3.976 8.560 ( -5.946 7.931 0.871) 9.951 8.741 ( 5.947 4.719 -2.932) 8.138 8.825 ( -13.668 6.243 -3.529) 15.435 8.873 ( -1.431 2.962 -8.036) 8.683 9.141 ( -1.177 7.806 -3.485) 8.630 9.431 ( 0.093 -1.020 5.349) 5.446 9.657 ( -8.207 4.761 4.013) 10.301 9.781 ( -4.457 -5.667 -0.030) 7.210 9.892 ( 10.071 3.474 -3.194) 11.122 9.954 ( -5.849 5.383 -10.953) 13.534 10.179 ( -4.107 -2.873 0.810) 5.078 10.362 ( 1.286 -6.272 6.649) 9.230 10.471 ( 4.842 3.986 2.454) 6.735 10.558 ( -1.948 4.542 0.285) 4.951 10.703 ( 0.156 -9.250 3.596) 9.926 11.053 ( 16.170 -5.506 -7.794) 18.776 11.128 ( -2.029 -5.515 -10.043) 11.636 11.346 ( 3.022 -2.499 -8.646) 9.494 11.481 ( 4.572 -10.305 -0.929) 11.312 11.906 ( -5.733 -0.139 0.722) 5.780 12.074 ( -2.244 -0.075 2.248) 3.177 12.184 ( 1.250 -0.160 2.373) 2.687 12.426 ( -3.559 -2.332 2.300) 4.837 12.604 ( 10.819 -2.749 -0.583) 11.178 12.840 ( -11.623 2.810 8.352) 14.586 13.090 ( -6.992 3.458 6.337) 10.050 13.116 ( 11.717 -0.023 -5.574) 12.975 13.327 ( 1.341 -0.246 1.964) 2.391 13.520 ( 13.906 1.139 3.564) 14.401 13.921 ( -6.922 7.204 -0.899) 10.031 13.966 ( -0.361 -1.425 -2.894) 3.246 14.223 ( -5.805 0.781 1.689) 6.096 14.381 ( -1.367 3.266 -3.698) 5.120 14.647 ( 3.121 3.792 -11.351) 12.368 14.724 ( -1.360 -4.415 -0.953) 4.717 14.988 ( 1.942 -1.123 0.902) 2.417 15.068 ( 4.106 -0.784 -1.769) 4.538 15.149 ( 6.700 -10.420 1.177) 12.444 15.331 ( 1.504 -1.663 3.390) 4.065 15.375 ( 1.092 -1.857 -3.539) 4.144 15.491 ( -8.204 1.364 2.866) 8.796 15.664 ( 3.514 -1.291 1.415) 4.002 15.859 ( -2.015 12.963 -0.031) 13.119 15.992 ( 3.626 -5.867 0.983) 6.966 16.094 ( 3.637 6.422 7.581) 10.580 16.150 ( 0.618 0.934 -0.054) 1.121 16.330 ( 1.478 1.762 6.730) 7.112 16.375 ( 7.413 -2.822 -3.018) 8.487 16.594 ( -1.015 8.810 -9.188) 12.770 16.687 ( -2.372 0.640 -1.406) 2.830 16.916 ( 1.397 4.909 3.824) 6.377 16.968 ( 3.597 -4.456 1.772) 5.994 17.139 ( -6.124 -5.987 1.793) 8.750 17.198 ( -1.439 1.185 -2.282) 2.946 17.302 ( -1.549 0.008 -2.369) 2.830 17.589 ( 14.073 1.836 -6.485) 15.603 17.773 ( -2.946 -4.789 2.917) 6.334 17.873 ( -0.820 5.105 0.702) 5.218 18.221 ( -5.904 -4.362 3.938) 8.330 18.281 ( 7.034 -2.654 -8.866) 11.625 18.426 ( -3.214 5.365 -3.058) 6.961 18.650 ( -2.274 -6.849 -8.980) 11.520 19.394 ( -15.520 -8.032 -2.967) 17.725 20.063 ( -9.964 -6.208 21.537) 24.529 20.803 ( -9.260 1.511 -3.527) 10.023 21.366 ( -20.719 -1.043 23.988) 31.714 21.623 ( -2.585 6.554 9.898) 12.149 22.273 ( 1.463 15.879 -15.274) 22.081 ======================= Grid point 12 (12/72) ======================= q-point: ( 0.36 -0.11 -0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -15.323 21.416 7.597) 27.407 1.776 ( -11.342 21.564 11.801) 27.073 2.227 ( -0.594 10.253 -0.525) 10.283 2.477 ( -3.838 9.462 7.265) 12.532 2.743 ( -3.410 7.061 1.576) 7.998 2.813 ( -0.884 -3.100 -5.224) 6.139 3.144 ( -11.413 4.351 7.283) 14.220 3.348 ( 2.536 -0.711 -2.126) 3.384 3.727 ( 2.611 12.240 5.112) 13.519 3.912 ( -10.703 17.260 6.345) 21.277 4.077 ( -6.858 -1.981 2.284) 7.495 4.305 ( 4.963 -17.554 5.547) 19.067 4.525 ( 0.376 9.947 -1.800) 10.115 5.193 ( 8.530 -0.377 -7.164) 11.146 5.285 ( -0.735 -8.031 -4.177) 9.082 5.404 ( 2.988 11.538 1.039) 11.964 6.113 ( 1.352 -18.265 9.188) 20.490 6.249 ( -8.225 -6.009 2.667) 10.530 6.580 ( -0.818 -2.278 -7.837) 8.202 6.823 ( 3.025 -5.151 -0.727) 6.017 7.074 ( -4.120 -3.352 -11.067) 12.275 7.318 ( 6.938 1.193 3.898) 8.047 7.365 ( 6.226 2.355 -1.653) 6.859 7.629 ( 1.830 8.385 -3.943) 9.445 7.694 ( -5.065 -5.627 4.603) 8.860 7.799 ( 5.068 10.492 -6.398) 13.293 7.923 ( 12.179 -13.118 1.347) 17.951 8.068 ( -8.658 -3.238 -1.849) 9.427 8.177 ( -0.302 0.372 4.056) 4.085 8.272 ( 2.545 -5.791 -5.771) 8.563 8.356 ( -2.913 -8.227 -2.296) 9.025 8.447 ( -1.127 -0.349 2.710) 2.956 8.556 ( -4.247 -6.534 2.446) 8.168 8.753 ( -6.616 -2.721 -1.676) 7.347 8.969 ( -0.781 6.660 3.195) 7.428 9.096 ( 0.565 1.785 2.811) 3.377 9.370 ( -0.333 -3.954 -0.554) 4.006 9.566 ( -10.197 -3.658 -4.996) 11.930 9.738 ( -7.668 -7.262 -2.494) 10.851 9.872 ( 4.572 -0.017 7.851) 9.085 9.997 ( -0.289 8.450 1.733) 8.631 10.201 ( -2.888 -1.539 10.781) 11.266 10.280 ( -5.654 -6.997 0.142) 8.997 10.416 ( 4.995 1.352 -8.602) 10.039 10.739 ( 0.728 8.338 -8.661) 12.044 10.804 ( 6.743 1.461 4.160) 8.057 11.107 ( 6.988 1.831 7.888) 10.696 11.281 ( -7.656 3.233 0.974) 8.367 11.428 ( 4.777 8.290 6.594) 11.620 11.668 ( 5.414 5.992 0.430) 8.087 11.909 ( -1.464 -0.216 -1.948) 2.447 12.089 ( -0.428 1.755 -2.678) 3.230 12.220 ( -0.467 3.013 1.070) 3.231 12.431 ( -3.686 -1.574 -2.528) 4.739 12.692 ( 12.340 4.695 1.810) 13.326 12.766 ( -12.807 -4.700 -7.829) 15.729 13.009 ( 1.243 -2.979 -4.941) 5.902 13.125 ( 12.791 0.864 3.898) 13.400 13.277 ( 2.308 -5.086 1.783) 5.863 13.513 ( 1.454 1.311 -3.889) 4.354 13.723 ( -5.527 -10.306 -0.482) 11.705 14.004 ( -3.059 2.363 0.880) 3.965 14.221 ( -5.148 0.630 0.983) 5.279 14.327 ( 2.310 -1.376 2.725) 3.828 14.594 ( -2.431 -0.969 5.311) 5.921 14.825 ( -3.355 4.063 1.047) 5.372 14.993 ( -2.844 -0.636 -0.527) 2.961 15.065 ( 7.031 -0.474 1.260) 7.158 15.301 ( 2.637 2.616 -3.893) 5.381 15.365 ( -2.219 -1.589 -1.464) 3.097 15.412 ( 6.556 4.661 -2.720) 8.492 15.504 ( -6.242 0.808 2.209) 6.670 15.617 ( 2.894 -5.538 -0.203) 6.252 15.698 ( 2.929 1.054 -0.053) 3.114 16.006 ( 4.787 -0.672 -6.047) 7.741 16.109 ( 2.924 1.361 -0.253) 3.235 16.191 ( 1.470 5.598 -2.802) 6.431 16.336 ( 5.055 1.645 -1.744) 5.594 16.426 ( 3.265 -8.985 3.627) 10.225 16.488 ( 0.154 7.411 0.695) 7.445 16.623 ( 4.206 -3.983 5.817) 8.209 16.812 ( -7.153 -4.006 1.007) 8.260 17.014 ( 1.189 0.888 3.032) 3.376 17.194 ( 1.225 0.263 -1.137) 1.692 17.232 ( 1.227 1.621 0.694) 2.148 17.334 ( -2.130 3.169 -1.854) 4.245 17.518 ( 8.942 -4.602 2.993) 10.492 17.742 ( -0.804 -5.168 -3.256) 6.161 17.966 ( -2.995 10.053 -4.778) 11.526 18.232 ( -2.667 -3.881 5.966) 7.601 18.355 ( -0.693 3.294 0.611) 3.421 18.409 ( 6.672 5.193 -1.488) 8.585 18.776 ( -12.389 5.659 13.066) 18.874 19.485 ( -20.241 1.204 1.681) 20.346 20.217 ( -6.566 7.711 -13.287) 16.706 20.751 ( -7.168 -4.542 3.578) 9.209 21.281 ( -7.852 -9.920 -11.533) 17.120 21.539 ( -0.787 -2.555 -7.356) 7.827 21.961 ( 2.868 -8.542 9.242) 12.908 ======================= Grid point 13 (13/72) ======================= q-point: ( 0.04 0.46 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 1.969 0.000 6.338) 6.637 2.204 ( 0.531 0.000 0.932) 1.073 2.512 ( 16.470 0.000 7.232) 17.988 2.834 ( -5.068 -0.000 -1.320) 5.237 3.013 ( 4.958 0.000 -0.717) 5.009 3.135 ( 0.171 0.000 2.288) 2.294 3.212 ( 17.625 0.000 2.381) 17.785 3.359 ( 2.507 0.000 3.262) 4.114 3.495 ( 1.558 0.000 1.578) 2.218 3.578 ( -15.002 -0.000 2.012) 15.136 4.198 ( -7.773 -0.000 -5.687) 9.631 4.568 ( 5.156 -0.000 -9.090) 10.450 4.789 ( 10.915 0.000 14.236) 17.939 4.812 ( -3.127 -0.000 -3.651) 4.807 4.980 ( -7.414 0.000 3.446) 8.176 5.305 ( -2.147 -0.000 -3.613) 4.202 6.030 ( -0.724 -0.000 -1.045) 1.271 6.727 ( 2.671 0.000 4.971) 5.643 6.799 ( 1.002 0.000 3.236) 3.387 6.874 ( -1.544 -0.000 -5.346) 5.565 6.931 ( 0.925 -0.000 -1.117) 1.450 7.161 ( 3.500 -0.000 -4.439) 5.653 7.198 ( -3.539 -0.000 -0.908) 3.654 7.217 ( -3.259 -0.000 -1.774) 3.711 7.483 ( 1.132 0.000 -0.081) 1.135 7.521 ( -1.609 -0.000 -4.914) 5.170 7.687 ( -0.929 0.000 4.246) 4.346 8.352 ( 4.312 0.000 3.522) 5.568 8.473 ( -2.120 0.000 1.213) 2.442 8.492 ( 1.059 -0.000 -3.767) 3.913 8.513 ( -0.466 0.000 0.361) 0.590 8.886 ( 4.019 -0.000 -2.781) 4.888 8.939 ( -3.726 0.000 5.388) 6.551 9.053 ( 5.647 0.000 4.290) 7.092 9.251 ( -1.035 0.000 0.733) 1.268 9.375 ( -3.787 -0.000 -1.903) 4.239 9.447 ( 1.662 -0.000 -4.309) 4.618 9.642 ( 2.954 0.000 1.955) 3.542 9.703 ( 4.721 -0.000 -2.087) 5.162 9.920 ( -10.886 -0.000 0.663) 10.906 10.037 ( 9.471 0.000 0.059) 9.471 10.238 ( -8.217 -0.000 -0.012) 8.217 10.379 ( -4.111 0.000 2.541) 4.833 10.459 ( 10.461 0.000 -3.529) 11.040 10.493 ( -0.866 0.000 0.790) 1.172 10.718 ( -4.596 -0.000 1.803) 4.937 10.788 ( 14.222 0.000 3.572) 14.663 11.112 ( 2.501 0.000 6.141) 6.630 11.150 ( 6.271 -0.000 -9.757) 11.599 11.456 ( -2.473 -0.000 0.691) 2.568 11.513 ( -21.187 -0.000 -7.437) 22.454 12.024 ( -7.189 -0.000 2.670) 7.669 12.282 ( 1.638 0.000 2.070) 2.639 12.342 ( 9.043 0.000 3.727) 9.781 12.571 ( -0.319 0.000 0.876) 0.933 12.598 ( -15.190 -0.000 0.889) 15.216 12.903 ( -0.896 -0.000 -4.490) 4.579 13.221 ( 0.460 -0.000 -1.788) 1.847 13.364 ( 8.145 0.000 -2.138) 8.421 13.626 ( 18.656 0.000 -5.366) 19.412 13.988 ( -0.325 0.000 1.625) 1.657 14.145 ( -11.574 0.000 6.799) 13.423 14.249 ( 0.475 0.000 -0.097) 0.485 14.619 ( -4.654 -0.000 0.838) 4.729 14.622 ( 0.571 -0.000 -0.567) 0.804 14.856 ( 6.453 0.000 0.651) 6.486 14.908 ( 5.811 0.000 -0.923) 5.884 14.988 ( -0.070 0.000 1.097) 1.099 15.027 ( -2.961 0.000 5.899) 6.600 15.269 ( -4.096 0.000 2.666) 4.887 15.384 ( -2.854 -0.000 -1.790) 3.369 15.438 ( -3.365 -0.000 -4.693) 5.775 15.506 ( -3.165 -0.000 -1.661) 3.574 15.737 ( -0.131 -0.000 -0.191) 0.232 15.753 ( -1.890 -0.000 0.428) 1.938 15.923 ( -4.583 -0.000 0.867) 4.664 16.086 ( 2.131 0.000 1.856) 2.826 16.248 ( 1.143 0.000 0.671) 1.326 16.402 ( -3.708 -0.000 -0.183) 3.713 16.467 ( 1.192 -0.000 -1.735) 2.105 16.643 ( -3.261 -0.000 -3.896) 5.081 17.048 ( 1.179 0.000 1.893) 2.230 17.061 ( 5.136 0.000 3.577) 6.259 17.205 ( -0.491 -0.000 -6.541) 6.559 17.215 ( 2.267 -0.000 -2.464) 3.348 17.253 ( 0.712 0.000 1.780) 1.917 17.388 ( -2.014 0.000 1.629) 2.590 17.642 ( -7.000 -0.000 -3.369) 7.768 18.064 ( 6.083 0.000 1.791) 6.341 18.209 ( 1.893 0.000 1.827) 2.631 18.298 ( -3.077 -0.000 1.294) 3.338 18.561 ( 0.935 0.000 -0.331) 0.992 18.658 ( -0.477 0.000 3.757) 3.787 19.812 ( 4.761 0.000 1.733) 5.067 19.939 ( 1.193 -0.000 -2.740) 2.989 21.387 ( 9.760 0.000 5.592) 11.248 21.505 ( -1.949 -0.000 -10.152) 10.337 21.775 ( 7.692 -0.000 -6.656) 10.172 22.566 ( -2.409 0.000 4.670) 5.255 ======================= Grid point 14 (14/72) ======================= q-point: (-0.46 0.46 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -1.393 -9.576 -0.000) 9.677 2.371 ( 2.421 0.837 -0.000) 2.562 2.434 ( 2.427 -3.555 -0.000) 4.305 2.608 ( 3.100 -0.108 -0.000) 3.101 2.747 ( 2.808 1.871 0.000) 3.374 2.974 ( 0.846 0.769 0.000) 1.143 3.205 ( -5.768 -1.755 0.000) 6.029 3.365 ( -1.290 4.606 0.000) 4.783 3.616 ( 2.525 -3.009 -0.000) 3.928 4.180 ( 6.269 -0.790 -0.000) 6.318 4.351 ( 13.554 -5.642 -0.000) 14.681 4.679 ( -19.310 1.433 0.000) 19.363 4.834 ( -2.989 2.722 0.000) 4.043 4.873 ( 5.386 6.796 0.000) 8.671 5.150 ( -2.396 -0.804 0.000) 2.527 5.362 ( 8.651 -5.211 -0.000) 10.099 5.918 ( -0.813 -2.275 -0.000) 2.416 6.494 ( -4.845 -1.237 0.000) 5.001 6.643 ( 4.954 2.684 -0.000) 5.635 6.768 ( 4.845 -0.394 -0.000) 4.861 6.947 ( -4.654 5.009 0.000) 6.837 7.183 ( -0.319 -8.255 -0.000) 8.262 7.245 ( -1.297 5.434 0.000) 5.587 7.372 ( 1.586 -0.607 -0.000) 1.699 7.511 ( 2.089 5.837 0.000) 6.200 7.809 ( -1.408 -0.805 -0.000) 1.622 7.967 ( 5.110 11.588 0.000) 12.665 8.086 ( -0.808 -7.952 -0.000) 7.993 8.132 ( -5.478 -7.166 -0.000) 9.020 8.215 ( -0.607 2.323 0.000) 2.401 8.474 ( 0.805 1.410 0.000) 1.624 8.533 ( -0.977 -6.619 -0.000) 6.690 8.680 ( 2.035 0.942 -0.000) 2.242 8.927 ( -0.549 2.135 0.000) 2.205 8.973 ( 0.623 -3.422 -0.000) 3.478 9.040 ( 0.463 -1.419 -0.000) 1.492 9.569 ( -5.630 4.673 0.000) 7.316 9.626 ( 4.906 1.366 -0.000) 5.092 9.655 ( 2.385 1.416 0.000) 2.774 9.696 ( -2.151 -2.756 -0.000) 3.496 10.242 ( 15.817 5.636 -0.000) 16.791 10.307 ( 0.277 0.070 -0.000) 0.286 10.399 ( -3.924 -0.157 0.000) 3.927 10.585 ( -3.758 -3.701 -0.000) 5.274 10.793 ( 3.032 0.605 -0.000) 3.091 10.916 ( 14.816 -4.701 -0.000) 15.544 11.206 ( -5.578 0.643 0.000) 5.615 11.277 ( 7.278 -5.339 -0.000) 9.027 11.473 ( 1.139 8.550 0.000) 8.626 11.512 ( -2.680 5.702 0.000) 6.300 11.699 ( -5.687 -1.581 0.000) 5.903 11.848 ( -24.512 -6.834 0.000) 25.447 11.862 ( -5.156 1.248 0.000) 5.305 12.454 ( -1.222 0.283 0.000) 1.254 12.493 ( -6.516 1.477 0.000) 6.681 12.867 ( 11.876 -9.489 -0.000) 15.201 13.166 ( -0.667 3.663 0.000) 3.724 13.231 ( 18.561 6.194 -0.000) 19.568 13.353 ( 7.752 1.734 -0.000) 7.944 13.357 ( -7.327 7.327 0.000) 10.362 13.656 ( -8.858 -8.031 -0.000) 11.957 14.246 ( 4.857 -2.179 -0.000) 5.323 14.337 ( 3.268 0.715 -0.000) 3.345 14.461 ( 6.071 -2.040 -0.000) 6.404 14.766 ( -1.070 -3.604 -0.000) 3.760 14.782 ( -3.175 0.911 0.000) 3.303 14.800 ( -8.236 1.231 0.000) 8.327 14.929 ( -4.651 -1.352 0.000) 4.843 15.277 ( 2.348 6.403 0.000) 6.820 15.293 ( 5.266 3.921 0.000) 6.565 15.329 ( -1.803 -5.368 -0.000) 5.663 15.387 ( -3.931 -0.484 0.000) 3.960 15.638 ( -5.241 -0.441 0.000) 5.259 15.733 ( 1.606 -4.121 -0.000) 4.423 15.779 ( -2.502 -0.566 0.000) 2.565 15.814 ( -5.736 6.137 0.000) 8.400 16.085 ( 0.249 -4.146 -0.000) 4.154 16.163 ( -7.212 1.772 0.000) 7.427 16.190 ( 1.048 0.359 -0.000) 1.108 16.587 ( 0.801 -1.613 -0.000) 1.802 16.619 ( 1.526 -0.302 -0.000) 1.555 16.848 ( -1.744 1.624 0.000) 2.383 16.956 ( -1.431 0.957 0.000) 1.721 17.050 ( 2.270 1.681 0.000) 2.825 17.153 ( -2.212 -2.919 -0.000) 3.663 17.402 ( 4.040 0.741 -0.000) 4.107 17.785 ( 3.701 -2.107 -0.000) 4.259 17.838 ( -2.828 0.788 0.000) 2.936 17.894 ( 5.417 3.026 0.000) 6.205 18.091 ( -5.286 -5.142 -0.000) 7.375 18.359 ( 0.506 2.198 0.000) 2.255 18.639 ( 1.913 0.689 -0.000) 2.034 19.467 ( 6.916 -6.120 -0.000) 9.235 20.020 ( 5.053 2.725 -0.000) 5.741 20.686 ( 3.017 0.853 -0.000) 3.135 20.878 ( 3.817 0.464 -0.000) 3.845 21.159 ( -0.483 5.506 0.000) 5.528 21.495 ( 8.608 8.584 0.000) 12.157 21.850 ( -7.347 -9.992 -0.000) 12.402 ======================= Grid point 15 (15/72) ======================= q-point: ( 0.21 0.04 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.000 18.954 25.789) 32.005 1.159 ( -0.000 21.904 29.749) 36.943 1.815 ( -0.000 24.284 5.679) 24.939 1.903 ( -0.000 37.383 45.358) 58.778 2.362 ( -0.000 1.324 -3.483) 3.726 2.794 ( -0.000 7.000 -6.937) 9.855 2.942 ( 0.000 -0.017 6.241) 6.241 3.479 ( 0.000 -6.962 -5.753) 9.031 3.668 ( 0.000 -2.554 0.330) 2.575 3.714 ( 0.000 -1.472 -0.785) 1.668 4.016 ( -0.000 3.412 5.928) 6.840 4.235 ( -0.000 12.066 5.926) 13.443 4.773 ( 0.000 -13.028 -3.642) 13.528 5.227 ( -0.000 6.031 -7.087) 9.306 5.281 ( 0.000 -1.901 -2.265) 2.957 5.426 ( 0.000 -4.745 -0.760) 4.805 6.395 ( 0.000 -6.437 -1.954) 6.727 6.596 ( 0.000 -5.176 2.414) 5.711 6.700 ( 0.000 -26.280 1.831) 26.343 6.719 ( -0.000 12.712 -2.414) 12.939 7.097 ( 0.000 -3.650 -8.884) 9.605 7.335 ( -0.000 5.168 -5.152) 7.297 7.369 ( 0.000 -2.912 3.158) 4.295 7.469 ( -0.000 3.833 -0.910) 3.939 7.700 ( -0.000 13.150 3.899) 13.716 7.767 ( 0.000 -1.693 3.893) 4.245 8.015 ( -0.000 0.501 -17.435) 17.442 8.087 ( 0.000 -5.747 -5.268) 7.796 8.283 ( -0.000 2.683 -3.857) 4.698 8.444 ( 0.000 -0.571 4.036) 4.076 8.471 ( 0.000 -13.388 -0.016) 13.388 8.578 ( -0.000 0.483 0.378) 0.613 8.617 ( 0.000 -8.557 1.057) 8.622 8.827 ( 0.000 -1.288 -2.979) 3.245 8.858 ( 0.000 -3.233 9.929) 10.442 9.109 ( 0.000 -11.360 2.331) 11.597 9.493 ( 0.000 -1.992 -2.969) 3.575 9.589 ( 0.000 -2.026 -5.507) 5.868 9.627 ( 0.000 -1.146 -3.111) 3.315 9.842 ( 0.000 -1.862 9.502) 9.682 10.137 ( -0.000 7.863 0.695) 7.894 10.257 ( 0.000 -16.526 8.914) 18.777 10.291 ( 0.000 -5.435 0.279) 5.442 10.414 ( 0.000 -0.384 1.119) 1.183 10.509 ( -0.000 9.237 -2.595) 9.594 10.812 ( -0.000 17.450 -6.515) 18.627 10.997 ( 0.000 -1.651 3.842) 4.182 11.353 ( 0.000 -9.984 13.699) 16.951 11.384 ( -0.000 2.590 17.358) 17.550 11.614 ( -0.000 11.142 -2.626) 11.447 11.780 ( 0.000 -1.160 0.359) 1.215 12.048 ( -0.000 0.529 -3.051) 3.096 12.225 ( -0.000 2.595 -5.830) 6.381 12.503 ( 0.000 -2.554 -1.340) 2.884 12.509 ( -0.000 6.402 -12.178) 13.758 12.753 ( -0.000 3.260 3.510) 4.791 13.015 ( 0.000 -1.803 -8.447) 8.637 13.249 ( 0.000 0.270 5.694) 5.700 13.339 ( -0.000 -0.177 -1.767) 1.776 13.717 ( 0.000 -4.042 -3.727) 5.499 13.834 ( 0.000 -6.973 -1.110) 7.061 13.943 ( 0.000 -1.513 1.477) 2.114 14.139 ( -0.000 1.002 2.151) 2.372 14.369 ( -0.000 0.367 0.429) 0.565 14.693 ( 0.000 -4.063 6.428) 7.604 14.745 ( 0.000 -4.820 9.677) 10.811 14.937 ( 0.000 -0.059 -0.255) 0.262 15.193 ( -0.000 0.171 0.073) 0.186 15.252 ( -0.000 2.271 -0.908) 2.446 15.354 ( 0.000 -1.140 -1.067) 1.562 15.363 ( -0.000 6.233 -3.716) 7.256 15.424 ( -0.000 1.601 1.540) 2.222 15.703 ( -0.000 1.946 -1.246) 2.311 15.805 ( 0.000 -13.915 -0.394) 13.921 16.003 ( -0.000 1.483 -0.438) 1.546 16.080 ( -0.000 1.408 -2.572) 2.932 16.172 ( 0.000 -0.875 -0.799) 1.185 16.277 ( -0.000 2.234 -10.960) 11.186 16.527 ( 0.000 -7.846 16.402) 18.182 16.612 ( -0.000 0.401 -0.156) 0.430 16.660 ( 0.000 0.142 2.175) 2.180 16.926 ( -0.000 0.223 -5.522) 5.526 17.019 ( -0.000 0.020 0.144) 0.145 17.049 ( -0.000 1.592 2.261) 2.765 17.186 ( -0.000 2.070 -1.295) 2.442 17.290 ( 0.000 -0.460 1.506) 1.575 17.706 ( -0.000 0.943 1.945) 2.162 17.760 ( 0.000 -0.624 3.423) 3.480 18.011 ( -0.000 5.484 4.606) 7.161 18.036 ( 0.000 -5.201 -7.977) 9.523 18.279 ( -0.000 1.600 6.534) 6.727 18.442 ( -0.000 1.419 11.580) 11.667 18.659 ( 0.000 -0.548 4.873) 4.903 19.154 ( -0.000 3.940 5.499) 6.765 19.932 ( -0.000 14.706 -23.223) 27.487 20.701 ( -0.000 0.477 1.280) 1.366 21.095 ( -0.000 17.144 -22.623) 28.386 21.594 ( 0.000 -6.652 -10.084) 12.080 22.291 ( 0.000 -15.881 17.239) 23.439 ======================= Grid point 16 (16/72) ======================= q-point: (-0.29 0.04 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 -26.549 -4.117) 26.866 1.668 ( 0.000 -21.960 -14.176) 26.138 2.218 ( 0.000 -7.213 0.876) 7.266 2.468 ( 0.000 -10.195 5.915) 11.786 2.667 ( 0.000 -26.150 -18.861) 32.242 2.834 ( -0.000 1.284 2.215) 2.560 2.959 ( 0.000 -2.783 -8.372) 8.822 3.381 ( -0.000 1.913 2.650) 3.268 3.759 ( 0.000 -13.153 -4.225) 13.815 3.809 ( 0.000 -13.735 -2.333) 13.932 4.010 ( -0.000 0.987 -13.236) 13.273 4.399 ( -0.000 19.947 1.716) 20.020 4.505 ( 0.000 -2.146 2.750) 3.488 5.264 ( -0.000 8.268 4.662) 9.492 5.321 ( 0.000 0.099 14.134) 14.135 5.396 ( 0.000 -16.146 -4.090) 16.656 6.138 ( -0.000 22.521 -9.255) 24.349 6.162 ( -0.000 8.465 -11.464) 14.251 6.577 ( 0.000 -1.064 10.550) 10.604 6.860 ( -0.000 5.716 1.765) 5.983 7.011 ( -0.000 4.160 11.553) 12.280 7.402 ( 0.000 -5.260 -3.552) 6.347 7.415 ( 0.000 -1.910 2.646) 3.263 7.654 ( 0.000 -12.829 3.378) 13.266 7.671 ( -0.000 12.659 -6.103) 14.053 7.879 ( -0.000 0.098 -1.441) 1.444 7.980 ( 0.000 -0.304 5.154) 5.163 7.987 ( -0.000 1.323 3.097) 3.368 8.251 ( -0.000 7.888 1.235) 7.984 8.255 ( -0.000 9.308 1.408) 9.414 8.330 ( -0.000 5.439 6.037) 8.126 8.380 ( -0.000 1.284 -1.233) 1.780 8.577 ( -0.000 1.100 0.363) 1.159 8.653 ( -0.000 9.453 2.004) 9.663 9.001 ( 0.000 -7.994 -2.624) 8.413 9.038 ( 0.000 -5.161 -5.176) 7.309 9.439 ( -0.000 2.623 5.127) 5.759 9.511 ( -0.000 3.502 2.473) 4.287 9.517 ( -0.000 7.229 -1.458) 7.375 9.919 ( 0.000 -3.306 -4.828) 5.852 10.078 ( -0.000 12.840 -0.715) 12.860 10.119 ( 0.000 -4.514 -10.049) 11.016 10.220 ( 0.000 -2.233 -6.522) 6.893 10.465 ( 0.000 -3.330 6.610) 7.402 10.720 ( 0.000 -3.536 8.038) 8.781 10.957 ( 0.000 -1.125 -1.910) 2.217 11.147 ( 0.000 -10.257 -1.632) 10.386 11.200 ( -0.000 3.629 -9.387) 10.064 11.483 ( 0.000 -7.537 -10.031) 12.547 11.750 ( -0.000 1.485 -0.080) 1.488 11.848 ( 0.000 -9.080 -0.488) 9.094 12.072 ( 0.000 -1.868 3.289) 3.782 12.286 ( 0.000 -2.758 3.658) 4.581 12.425 ( -0.000 4.495 0.631) 4.539 12.515 ( -0.000 5.310 9.197) 10.620 12.864 ( 0.000 -7.058 -3.820) 8.026 13.016 ( 0.000 -1.981 8.030) 8.271 13.259 ( 0.000 -0.601 -3.743) 3.790 13.291 ( -0.000 3.677 -3.944) 5.392 13.579 ( -0.000 8.424 4.263) 9.441 13.652 ( -0.000 8.826 3.367) 9.446 13.937 ( 0.000 -1.747 2.177) 2.792 14.179 ( 0.000 -2.499 -2.138) 3.289 14.357 ( -0.000 1.467 -2.785) 3.148 14.570 ( -0.000 2.525 -7.299) 7.723 14.786 ( 0.000 -2.572 -2.319) 3.463 14.935 ( -0.000 0.104 0.403) 0.416 15.199 ( 0.000 -0.370 -0.491) 0.615 15.254 ( -0.000 1.635 2.486) 2.976 15.332 ( -0.000 0.984 2.820) 2.987 15.454 ( 0.000 -1.164 -2.703) 2.943 15.492 ( 0.000 -4.934 0.936) 5.022 15.675 ( 0.000 -1.004 3.798) 3.929 15.734 ( -0.000 0.758 0.687) 1.023 16.041 ( 0.000 -1.796 0.392) 1.838 16.144 ( -0.000 1.722 0.527) 1.801 16.188 ( 0.000 -4.846 8.700) 9.958 16.374 ( 0.000 -3.670 3.489) 5.064 16.389 ( -0.000 1.025 -7.203) 7.276 16.626 ( 0.000 -0.779 0.230) 0.813 16.664 ( 0.000 -0.306 -0.971) 1.018 16.704 ( -0.000 12.595 -9.213) 15.605 17.043 ( 0.000 -2.343 -1.774) 2.939 17.201 ( 0.000 -4.467 1.761) 4.801 17.229 ( 0.000 -1.599 1.572) 2.242 17.265 ( -0.000 1.596 -2.737) 3.168 17.627 ( -0.000 2.999 -3.004) 4.245 17.876 ( -0.000 9.288 4.362) 10.261 17.914 ( 0.000 -8.831 7.198) 11.393 18.095 ( 0.000 -2.291 0.113) 2.294 18.327 ( 0.000 -4.210 -3.420) 5.424 18.556 ( 0.000 -7.600 -15.835) 17.564 18.658 ( 0.000 -0.792 -2.199) 2.337 19.205 ( 0.000 -1.726 -3.322) 3.744 20.144 ( 0.000 -7.819 12.383) 14.645 20.674 ( -0.000 3.912 -2.924) 4.884 21.197 ( -0.000 8.700 12.671) 15.370 21.532 ( 0.000 -0.100 8.687) 8.688 21.991 ( -0.000 7.580 -9.778) 12.372 ======================= Grid point 17 (17/72) ======================= q-point: ( 0.38 -0.38 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -14.185 3.816 0.000) 14.689 2.296 ( -4.526 7.643 0.000) 8.883 2.356 ( -11.067 3.251 0.000) 11.535 2.632 ( -4.019 -2.984 -0.000) 5.005 2.786 ( -1.606 -1.965 -0.000) 2.537 2.988 ( -0.160 -0.585 -0.000) 0.607 3.216 ( 2.169 -2.181 -0.000) 3.076 3.483 ( -7.757 -1.137 0.000) 7.840 3.728 ( 11.295 -17.004 -0.000) 20.414 3.764 ( -8.774 22.954 0.000) 24.574 4.328 ( 6.401 29.171 0.000) 29.865 4.424 ( -3.997 -3.714 -0.000) 5.456 4.615 ( 4.010 6.260 0.000) 7.434 5.135 ( -14.757 0.351 0.000) 14.761 5.166 ( 9.868 -3.801 -0.000) 10.575 5.352 ( -6.449 0.233 0.000) 6.453 5.991 ( -1.714 -5.260 -0.000) 5.532 6.553 ( 1.528 -7.767 -0.000) 7.916 6.700 ( -2.741 5.366 0.000) 6.025 6.736 ( 3.222 -6.319 -0.000) 7.093 6.971 ( -0.094 6.954 0.000) 6.954 7.052 ( 7.283 -3.866 -0.000) 8.246 7.422 ( -2.689 -7.041 -0.000) 7.537 7.437 ( 3.155 -4.196 -0.000) 5.250 7.653 ( 4.821 3.399 0.000) 5.899 7.765 ( 0.903 3.076 0.000) 3.206 7.885 ( 8.630 10.076 0.000) 13.266 7.953 ( -2.235 -9.300 -0.000) 9.565 8.201 ( -1.319 -5.585 -0.000) 5.738 8.336 ( -2.819 6.214 0.000) 6.824 8.359 ( -6.432 -6.419 -0.000) 9.087 8.616 ( -5.615 -10.550 -0.000) 11.951 8.658 ( -0.535 6.654 0.000) 6.675 8.965 ( 3.854 -1.510 -0.000) 4.140 8.985 ( -3.001 0.320 0.000) 3.018 9.072 ( -8.598 -9.636 -0.000) 12.915 9.589 ( 8.844 -1.048 -0.000) 8.906 9.610 ( 1.757 3.114 0.000) 3.576 9.715 ( -3.407 -3.652 -0.000) 4.994 9.760 ( 1.924 -5.478 -0.000) 5.806 10.264 ( -1.712 3.297 0.000) 3.715 10.321 ( 0.627 -1.105 -0.000) 1.271 10.404 ( 2.685 -0.738 -0.000) 2.785 10.516 ( -0.994 2.108 0.000) 2.331 10.776 ( -2.186 2.063 0.000) 3.006 10.821 ( -21.935 3.746 0.000) 22.253 11.018 ( -9.287 17.956 0.000) 20.215 11.216 ( 5.895 1.591 -0.000) 6.106 11.553 ( -1.246 2.509 0.000) 2.802 11.596 ( 4.813 -0.172 -0.000) 4.816 11.640 ( 18.198 0.867 -0.000) 18.219 11.775 ( 11.443 -2.558 -0.000) 11.725 11.963 ( 3.526 -6.271 -0.000) 7.194 12.462 ( 2.040 -0.476 -0.000) 2.095 12.523 ( 7.135 -1.341 -0.000) 7.260 12.640 ( -14.485 10.463 0.000) 17.869 13.215 ( 1.842 -1.142 -0.000) 2.167 13.277 ( -4.837 4.623 0.000) 6.691 13.361 ( -3.369 -1.206 0.000) 3.578 13.562 ( 13.463 -10.284 -0.000) 16.942 13.584 ( -8.258 -2.826 0.000) 8.728 14.225 ( -9.381 2.731 0.000) 9.771 14.342 ( -1.492 0.396 0.000) 1.544 14.446 ( -6.868 -1.767 0.000) 7.091 14.703 ( -5.396 1.927 0.000) 5.730 14.771 ( 8.031 3.261 -0.000) 8.668 14.784 ( 4.120 1.078 -0.000) 4.259 14.955 ( 0.430 -4.299 -0.000) 4.320 15.193 ( 4.404 6.495 0.000) 7.847 15.369 ( 0.283 -2.719 -0.000) 2.734 15.383 ( -3.000 -2.722 -0.000) 4.050 15.423 ( 5.649 -2.309 -0.000) 6.103 15.642 ( 2.610 0.558 -0.000) 2.669 15.644 ( 0.665 2.358 0.000) 2.450 15.775 ( 2.635 -2.041 -0.000) 3.333 15.895 ( 5.621 -0.333 -0.000) 5.631 16.004 ( -2.167 2.245 0.000) 3.121 16.214 ( 4.567 -3.762 -0.000) 5.917 16.233 ( 1.431 -1.823 -0.000) 2.317 16.504 ( -2.189 2.302 0.000) 3.177 16.657 ( -2.428 -3.586 -0.000) 4.331 16.935 ( 5.057 -3.906 -0.000) 6.390 17.001 ( 0.151 4.446 0.000) 4.448 17.034 ( 1.161 -6.137 -0.000) 6.246 17.140 ( -1.901 0.131 0.000) 1.905 17.410 ( -2.197 0.357 0.000) 2.226 17.588 ( -3.019 12.249 0.000) 12.616 17.915 ( 1.257 1.342 0.000) 1.839 17.925 ( 0.684 -3.280 -0.000) 3.350 18.059 ( -6.271 -2.766 0.000) 6.854 18.371 ( 2.842 -0.490 -0.000) 2.884 18.627 ( 0.150 3.199 0.000) 3.203 19.175 ( -14.057 18.243 0.000) 23.030 19.910 ( 0.312 11.003 0.000) 11.008 20.665 ( -1.738 1.882 0.000) 2.562 20.914 ( -2.731 -1.716 -0.000) 3.225 21.430 ( 7.328 -16.091 -0.000) 17.681 21.571 ( 6.582 -1.355 -0.000) 6.720 21.987 ( -10.847 -18.413 -0.000) 21.371 ======================= Grid point 18 (18/72) ======================= q-point: (-0.12 -0.38 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -1.552 -19.189 -3.609) 19.587 2.295 ( -1.672 -6.949 -2.474) 7.564 2.519 ( -14.193 -0.532 -5.497) 15.230 2.777 ( 4.416 3.722 2.167) 6.168 2.961 ( -9.102 4.051 -1.736) 10.113 3.045 ( -3.987 8.091 -3.221) 9.578 3.270 ( -0.553 0.094 -3.031) 3.083 3.391 ( -10.018 -3.861 -4.241) 11.544 3.572 ( -2.107 -7.961 -1.193) 8.321 3.674 ( 15.718 -11.137 3.350) 19.553 4.148 ( 0.629 17.869 6.802) 19.130 4.316 ( 11.262 -6.285 -1.684) 13.007 4.735 ( -4.520 5.603 2.490) 7.617 4.904 ( -2.354 0.451 0.472) 2.442 5.191 ( -8.024 -8.128 -4.900) 12.428 5.337 ( 4.341 -8.303 -1.147) 9.439 6.114 ( 4.751 -5.640 1.084) 7.454 6.564 ( -3.066 10.861 -2.490) 11.557 6.729 ( -3.153 4.405 1.820) 5.715 6.819 ( 4.220 4.725 -0.188) 6.338 7.039 ( -2.891 -3.729 -0.023) 4.719 7.103 ( -1.024 5.076 5.084) 7.257 7.151 ( 3.125 -5.450 2.217) 6.662 7.346 ( 0.760 -7.489 -0.501) 7.544 7.572 ( -3.025 -1.191 -1.358) 3.523 7.645 ( -0.792 -7.912 3.397) 8.646 7.760 ( 4.510 -9.831 -0.008) 10.816 8.091 ( -0.622 15.834 -2.431) 16.032 8.381 ( -0.803 5.973 1.414) 6.190 8.503 ( 0.798 2.655 -0.206) 2.780 8.647 ( -0.354 -5.265 -0.858) 5.346 8.812 ( -4.549 7.937 0.193) 9.151 8.885 ( 3.468 4.164 -3.109) 6.248 8.999 ( -10.294 6.377 -11.475) 16.682 9.078 ( 4.559 10.132 0.258) 11.113 9.186 ( 3.701 8.710 12.815) 15.931 9.486 ( -7.710 -0.574 -4.275) 8.834 9.643 ( 0.573 -2.782 -2.811) 3.996 9.769 ( -1.274 -1.605 1.303) 2.429 9.829 ( 6.617 -1.022 3.334) 7.479 10.058 ( 1.804 3.100 5.196) 6.314 10.237 ( 1.629 1.879 0.419) 2.522 10.383 ( -3.900 3.468 0.634) 5.257 10.468 ( -1.289 -1.128 -2.101) 2.711 10.680 ( 0.588 -16.470 -1.816) 16.580 10.791 ( -10.019 -4.256 -4.881) 11.930 10.860 ( -7.029 -5.787 -1.816) 9.284 11.159 ( 1.737 -4.973 -2.259) 5.731 11.247 ( -5.758 -6.933 7.495) 11.722 11.476 ( 2.381 -1.892 -0.558) 3.092 11.513 ( 20.383 -0.530 6.284) 21.336 11.975 ( 7.616 4.017 -2.820) 9.061 12.149 ( 2.313 8.009 -3.246) 8.946 12.406 ( -4.819 -2.342 -0.328) 5.368 12.534 ( 7.317 1.498 1.125) 7.553 12.667 ( -0.784 -5.314 -4.556) 7.043 13.028 ( 2.948 -9.221 4.456) 10.657 13.208 ( -0.017 0.812 1.440) 1.653 13.339 ( -9.293 2.516 1.868) 9.807 13.554 ( -16.915 5.664 4.997) 18.525 13.908 ( 8.528 6.535 -3.258) 11.227 14.188 ( 0.919 -2.788 -4.036) 4.990 14.262 ( -0.524 -1.343 0.121) 1.446 14.621 ( 0.078 -1.041 -0.909) 1.384 14.670 ( 2.674 -2.389 0.242) 3.594 14.848 ( -3.152 0.430 -1.610) 3.565 14.921 ( -4.123 1.626 0.278) 4.441 14.953 ( -0.673 2.245 -3.797) 4.462 14.996 ( 2.548 -0.705 -0.545) 2.700 15.295 ( 4.016 -1.851 -2.375) 5.019 15.363 ( 6.206 3.612 5.333) 8.945 15.441 ( -0.447 -2.226 1.958) 2.999 15.551 ( 3.202 -2.591 -0.071) 4.119 15.701 ( -0.062 2.750 0.187) 2.757 15.729 ( 2.705 3.729 0.089) 4.607 15.964 ( 3.033 -4.144 0.173) 5.139 16.078 ( -2.117 0.285 -2.382) 3.199 16.247 ( -1.818 2.514 -1.270) 3.352 16.282 ( 1.236 0.843 2.054) 2.541 16.492 ( 4.103 2.011 0.143) 4.572 16.624 ( 3.085 1.974 3.203) 4.866 16.833 ( 0.135 10.612 -2.464) 10.895 17.043 ( -2.670 1.575 -1.727) 3.548 17.198 ( -0.175 3.689 1.808) 4.112 17.234 ( -1.997 -3.325 1.238) 4.071 17.289 ( 1.167 -0.992 0.617) 1.651 17.592 ( -2.766 -18.195 0.456) 18.409 17.849 ( 4.225 -6.295 1.227) 7.681 17.978 ( -5.555 3.980 -3.479) 7.668 18.052 ( 0.642 6.606 1.597) 6.826 18.349 ( 0.508 -1.618 -0.976) 1.956 18.542 ( -1.109 2.264 -0.210) 2.530 18.912 ( 0.147 -19.917 -3.653) 20.249 19.930 ( -2.834 -3.280 -11.911) 12.676 19.942 ( -2.811 -7.913 13.377) 15.794 21.331 ( -7.380 7.691 -3.469) 11.210 21.489 ( -0.600 -0.936 8.010) 8.087 21.671 ( -7.549 9.014 6.476) 13.423 22.388 ( 2.991 15.499 -5.506) 16.718 ======================= Grid point 19 (19/72) ======================= q-point: (-0.45 0.20 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 6.255 -13.461 8.773) 17.242 2.132 ( 10.253 -13.308 -4.850) 17.486 2.285 ( 3.691 -0.855 0.023) 3.789 2.667 ( -1.653 0.160 0.822) 1.853 2.734 ( 8.029 0.595 10.910) 13.559 2.887 ( -7.057 -8.792 -11.040) 15.779 3.229 ( 5.880 -5.428 0.629) 8.027 3.356 ( -2.955 -0.979 4.166) 5.200 3.653 ( -14.884 11.941 1.005) 19.109 4.087 ( 4.063 0.873 -16.834) 17.339 4.164 ( -0.577 -8.673 -5.440) 10.254 4.427 ( 13.521 17.065 -1.930) 21.857 4.564 ( 17.651 -28.637 -1.080) 33.657 5.001 ( -6.344 13.194 9.590) 17.502 5.204 ( 1.370 -0.589 7.535) 7.681 5.659 ( -18.253 -2.736 -6.909) 19.707 6.008 ( 1.082 -11.510 -4.019) 12.240 6.195 ( 11.191 -0.296 -5.593) 12.514 6.440 ( 5.356 21.184 -2.240) 21.966 6.585 ( -1.571 -1.800 13.237) 13.451 7.034 ( 3.141 -0.338 11.064) 11.506 7.330 ( -7.385 1.121 -0.063) 7.470 7.398 ( -2.264 2.212 -4.139) 5.211 7.537 ( -10.727 12.356 -7.020) 17.806 7.614 ( 1.733 2.144 -11.004) 11.345 7.838 ( 0.053 7.285 -0.115) 7.287 7.926 ( 1.311 -11.421 3.284) 11.955 7.992 ( 0.297 8.340 -0.043) 8.346 8.114 ( 0.617 -5.643 6.922) 8.951 8.241 ( 5.024 -4.326 2.613) 7.126 8.356 ( -3.095 -1.432 1.408) 3.689 8.464 ( 6.713 2.980 -3.745) 8.244 8.566 ( 3.858 -9.874 3.969) 11.320 8.652 ( 7.369 5.383 2.371) 9.429 9.065 ( -0.742 0.569 -5.559) 5.637 9.131 ( -8.020 -1.861 1.272) 8.331 9.356 ( 2.896 -2.993 -1.286) 4.358 9.487 ( 8.796 2.552 3.168) 9.691 9.630 ( 6.345 3.248 2.003) 7.404 9.896 ( 4.742 0.068 -7.759) 9.094 9.956 ( 2.109 5.413 1.117) 5.916 10.218 ( -2.487 0.011 -9.124) 9.457 10.320 ( 1.014 -8.554 -0.965) 8.667 10.441 ( -5.426 -0.335 9.079) 10.582 10.716 ( 4.861 3.149 2.984) 6.516 10.882 ( -11.231 -1.841 0.143) 11.381 11.184 ( -1.970 -2.848 -3.770) 5.119 11.251 ( 2.567 2.898 -6.362) 7.448 11.626 ( -5.010 -7.199 1.240) 8.858 11.737 ( -0.914 -0.855 -0.776) 1.473 11.865 ( -7.305 4.023 3.015) 8.868 12.157 ( 1.456 -4.144 1.738) 4.724 12.295 ( 4.584 -3.078 -0.876) 5.591 12.394 ( 6.030 1.086 2.486) 6.612 12.624 ( 13.046 7.337 4.588) 15.655 12.758 ( -7.072 0.179 -1.865) 7.316 12.971 ( -18.152 2.322 1.948) 18.403 13.114 ( -3.793 3.076 -3.742) 6.152 13.184 ( -7.561 -0.506 -1.396) 7.705 13.508 ( 3.429 8.787 -0.453) 9.444 13.601 ( 9.461 -6.612 2.695) 11.853 14.083 ( 2.599 -4.630 2.888) 6.044 14.236 ( 1.246 -0.453 -1.372) 1.908 14.345 ( 0.840 -3.862 -2.115) 4.483 14.600 ( 3.767 -1.363 -0.118) 4.008 14.878 ( 5.035 -0.575 -1.940) 5.427 14.970 ( 1.814 1.094 -1.176) 2.423 15.066 ( -7.126 -0.782 -0.102) 7.170 15.311 ( 0.213 0.754 2.536) 2.655 15.328 ( 1.772 1.216 3.429) 4.047 15.461 ( -3.850 1.352 -1.895) 4.499 15.496 ( -8.374 0.867 -0.743) 8.452 15.587 ( 1.609 -1.032 1.882) 2.682 15.704 ( -0.788 -0.035 -2.911) 3.016 15.972 ( -5.815 6.106 6.022) 10.361 16.111 ( 0.624 0.314 0.162) 0.717 16.172 ( 3.687 8.041 -2.279) 9.135 16.355 ( -14.307 -3.609 -1.047) 14.792 16.416 ( -0.637 -7.464 5.001) 9.007 16.546 ( -3.674 3.666 -3.337) 6.170 16.677 ( 0.107 -9.122 -1.254) 9.209 16.769 ( 6.855 -0.235 -0.360) 6.868 17.041 ( -2.974 -1.376 -3.680) 4.928 17.194 ( -1.397 0.336 0.998) 1.749 17.234 ( 1.426 1.095 -2.026) 2.709 17.363 ( -18.044 5.694 0.970) 18.946 17.409 ( 10.195 -0.397 -0.037) 10.202 17.689 ( 3.694 -0.234 0.891) 3.807 18.054 ( 5.514 4.408 1.271) 7.173 18.189 ( -0.492 -1.826 -2.201) 2.902 18.431 ( -3.912 -1.355 0.709) 4.201 18.512 ( -7.961 -5.361 2.986) 10.051 18.952 ( 16.879 -10.997 -5.701) 20.937 19.505 ( 16.422 -1.317 1.702) 16.563 20.358 ( 7.531 -0.129 3.059) 8.130 20.562 ( 6.844 8.056 1.031) 10.621 21.072 ( 9.388 9.377 -1.465) 13.349 21.307 ( -1.650 14.104 -7.550) 16.083 22.078 ( -4.918 -15.293 7.884) 17.895 ======================= Grid point 20 (20/72) ======================= q-point: ( 0.05 0.20 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 16.237 0.000 25.126) 29.915 1.136 ( 27.953 0.000 27.087) 38.924 1.618 ( 13.521 0.000 10.504) 17.122 2.048 ( 45.934 0.000 41.265) 61.747 2.542 ( 17.064 0.000 -5.561) 17.947 2.652 ( 1.312 0.000 0.242) 1.334 2.979 ( 4.293 0.000 7.292) 8.462 3.503 ( -7.120 -0.000 -4.834) 8.606 3.509 ( -11.254 -0.000 -4.325) 12.056 3.814 ( -5.749 0.000 9.332) 10.961 3.821 ( -2.742 0.000 2.566) 3.755 4.292 ( 12.838 0.000 1.618) 12.939 4.927 ( -2.614 -0.000 -6.866) 7.347 5.079 ( -5.065 -0.000 -0.887) 5.142 5.294 ( -3.196 -0.000 0.817) 3.299 5.466 ( -1.470 -0.000 -6.308) 6.477 6.282 ( -4.221 -0.000 -9.643) 10.527 6.538 ( -4.260 0.000 4.222) 5.998 6.642 ( -5.081 0.000 8.307) 9.738 7.115 ( 0.613 -0.000 -7.386) 7.411 7.189 ( -5.143 -0.000 -7.958) 9.475 7.200 ( 2.397 -0.000 -6.569) 6.993 7.412 ( -1.914 -0.000 -1.238) 2.280 7.417 ( -1.380 0.000 11.063) 11.148 7.487 ( 1.297 -0.000 -3.229) 3.480 7.669 ( -13.161 0.000 8.987) 15.936 7.807 ( -3.601 -0.000 -11.658) 12.201 8.170 ( -4.338 0.000 3.211) 5.398 8.353 ( 2.979 -0.000 -2.236) 3.725 8.415 ( 4.403 0.000 -1.670) 4.709 8.513 ( -4.008 0.000 2.387) 4.665 8.641 ( 5.449 0.000 -1.406) 5.627 8.819 ( 11.352 0.000 9.655) 14.902 8.847 ( -1.740 -0.000 0.525) 1.817 9.033 ( 7.137 0.000 10.169) 12.424 9.279 ( -8.167 -0.000 0.483) 8.181 9.443 ( 11.490 0.000 -0.506) 11.501 9.637 ( -11.275 0.000 10.241) 15.232 9.729 ( 3.657 -0.000 -10.685) 11.293 9.918 ( 7.967 0.000 -2.166) 8.256 9.983 ( 2.062 0.000 1.211) 2.391 10.170 ( 4.298 0.000 0.892) 4.390 10.317 ( -11.786 -0.000 -6.614) 13.515 10.523 ( -3.397 -0.000 -5.767) 6.693 10.526 ( 5.678 0.000 3.537) 6.690 10.789 ( -6.807 -0.000 0.872) 6.862 10.881 ( -15.660 -0.000 2.695) 15.890 11.044 ( -2.391 0.000 17.762) 17.922 11.320 ( -6.425 0.000 9.616) 11.565 11.335 ( -0.632 0.000 3.324) 3.383 11.905 ( 6.093 0.000 -0.526) 6.115 12.074 ( 3.437 -0.000 -1.557) 3.773 12.199 ( -1.104 -0.000 -4.963) 5.085 12.375 ( 6.955 0.000 -1.233) 7.063 12.577 ( -10.612 -0.000 0.691) 10.634 12.880 ( 12.740 -0.000 -9.158) 15.690 13.114 ( -11.437 0.000 5.832) 12.838 13.132 ( 8.460 -0.000 -6.790) 10.848 13.308 ( -1.549 -0.000 -4.968) 5.204 13.535 ( -17.093 -0.000 -2.863) 17.331 13.946 ( -1.373 0.000 3.774) 4.016 14.004 ( 7.760 0.000 2.021) 8.019 14.237 ( 4.460 -0.000 -2.818) 5.275 14.432 ( 8.154 0.000 4.277) 9.207 14.650 ( -5.088 0.000 5.568) 7.543 14.755 ( -10.604 0.000 11.815) 15.876 14.932 ( -5.297 -0.000 -0.210) 5.301 14.970 ( -5.307 -0.000 0.321) 5.316 15.080 ( 3.311 0.000 2.613) 4.218 15.315 ( -0.885 -0.000 -3.945) 4.043 15.352 ( -2.637 0.000 3.354) 4.266 15.513 ( 9.618 0.000 -3.368) 10.190 15.653 ( -2.318 -0.000 -0.536) 2.379 15.914 ( -4.115 -0.000 -1.430) 4.356 15.997 ( -0.132 -0.000 -0.160) 0.208 16.154 ( -0.859 0.000 0.457) 0.973 16.173 ( -7.237 -0.000 -9.594) 12.017 16.357 ( -18.357 -0.000 5.148) 19.065 16.459 ( 3.050 -0.000 -5.448) 6.244 16.647 ( 1.894 -0.000 -6.070) 6.359 16.815 ( 3.871 0.000 4.005) 5.570 16.871 ( 5.374 -0.000 -2.776) 6.049 16.993 ( 2.742 0.000 -0.918) 2.892 17.031 ( -5.315 -0.000 -4.843) 7.190 17.221 ( 2.266 -0.000 -2.027) 3.040 17.318 ( 1.713 0.000 5.961) 6.202 17.593 ( -13.466 0.000 6.537) 14.969 17.741 ( 1.734 0.000 2.876) 3.358 17.942 ( 4.060 0.000 3.546) 5.391 18.143 ( -1.514 -0.000 -3.715) 4.012 18.263 ( -0.659 0.000 6.431) 6.465 18.501 ( 1.826 0.000 -0.140) 1.831 18.530 ( -6.783 0.000 6.472) 9.376 19.247 ( 15.578 0.000 2.381) 15.759 19.988 ( 17.205 -0.000 -22.358) 28.212 20.821 ( 9.715 0.000 3.560) 10.347 21.350 ( 35.489 -0.000 -29.513) 46.157 21.705 ( 2.550 -0.000 -10.845) 11.141 22.491 ( -2.389 0.000 10.221) 10.497 ======================= Grid point 21 (21/72) ======================= q-point: (-0.27 -0.23 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -10.644 -8.728 -3.532) 14.211 2.266 ( -7.214 -5.712 -3.863) 9.980 2.309 ( -10.263 -7.454 -15.249) 19.835 2.702 ( -0.201 2.243 -4.246) 4.806 2.767 ( -10.574 0.562 6.113) 12.227 2.887 ( -0.496 -3.174 -6.315) 7.085 3.219 ( -5.554 1.727 1.666) 6.051 3.309 ( 4.174 2.854 -1.713) 5.339 3.666 ( 9.058 12.522 -0.188) 15.456 4.024 ( -1.869 -14.395 -3.129) 14.849 4.237 ( 3.015 -10.571 4.374) 11.831 4.377 ( -11.411 0.893 5.176) 12.562 4.717 ( 3.030 -11.533 -5.789) 13.255 4.945 ( 3.699 3.470 -0.652) 5.113 5.215 ( 0.170 -10.710 2.305) 10.957 5.404 ( -1.230 5.309 -4.976) 7.380 6.214 ( 4.531 12.885 -4.753) 14.462 6.295 ( -6.850 1.634 3.825) 8.014 6.578 ( -2.474 6.613 1.861) 7.302 6.792 ( -1.175 0.289 0.212) 1.228 6.908 ( -3.728 1.799 8.274) 9.252 7.188 ( 4.447 -7.536 2.658) 9.145 7.265 ( 2.485 4.774 0.755) 5.435 7.480 ( 1.052 -2.691 3.275) 4.368 7.608 ( 0.937 -13.183 2.679) 13.485 7.722 ( 8.697 6.505 -1.394) 10.950 7.943 ( -2.703 -3.212 -6.466) 7.709 8.018 ( -0.729 3.194 9.159) 9.727 8.243 ( 1.589 -4.650 -2.844) 5.677 8.363 ( -3.057 14.092 -0.129) 14.420 8.405 ( -3.540 13.341 -6.707) 15.346 8.606 ( -5.241 0.164 -7.007) 8.752 8.725 ( -9.399 0.126 3.731) 10.113 8.895 ( -4.284 8.510 3.444) 10.131 8.998 ( 1.973 -7.064 -1.203) 7.433 9.058 ( 0.652 7.742 -3.679) 8.596 9.481 ( -2.708 -7.564 -1.419) 8.158 9.600 ( -8.002 4.315 4.235) 10.030 9.726 ( -4.622 -0.601 2.724) 5.398 9.904 ( 2.642 3.769 5.350) 7.058 10.108 ( 2.442 1.800 -9.318) 9.800 10.151 ( 7.941 1.157 7.101) 10.715 10.364 ( -6.742 -0.177 -0.155) 6.746 10.458 ( -4.986 -3.159 0.233) 5.907 10.558 ( -0.645 -3.817 -2.275) 4.490 10.842 ( -5.112 -2.200 0.244) 5.570 11.059 ( 5.277 -7.962 -1.926) 9.744 11.337 ( -1.993 -4.609 4.452) 6.711 11.400 ( 10.350 -1.767 -5.104) 11.674 11.588 ( 3.621 -4.934 -3.081) 6.852 11.767 ( 5.698 2.003 5.504) 8.172 12.097 ( 9.480 1.975 -4.382) 10.628 12.257 ( 11.988 1.005 -0.138) 12.031 12.424 ( -5.720 -7.174 -1.590) 9.312 12.583 ( 0.764 -2.116 -2.327) 3.237 12.758 ( 2.504 2.981 1.887) 4.327 12.951 ( -2.790 4.648 0.894) 5.495 13.077 ( -11.195 4.337 4.012) 12.659 13.220 ( -3.328 0.334 3.197) 4.627 13.399 ( 2.467 -10.081 5.935) 11.956 13.864 ( 0.301 10.318 -4.582) 11.294 14.115 ( -5.006 -1.078 -2.589) 5.738 14.289 ( -1.077 -2.042 1.477) 2.741 14.477 ( -7.649 4.461 -5.998) 10.695 14.701 ( -1.492 3.983 -2.303) 4.836 14.870 ( 1.768 -2.130 1.233) 3.030 14.953 ( 3.189 -2.477 -1.052) 4.173 14.981 ( 4.248 -2.355 -2.018) 5.259 15.126 ( 7.073 -4.959 2.091) 8.888 15.330 ( 1.356 5.249 2.464) 5.954 15.365 ( -1.551 0.072 -1.410) 2.097 15.558 ( 1.904 3.495 3.695) 5.431 15.593 ( 2.061 -6.251 1.823) 6.830 15.676 ( 3.593 5.891 -2.326) 7.282 15.738 ( 3.977 -0.497 3.209) 5.134 16.058 ( 1.170 -3.120 -2.928) 4.436 16.149 ( 4.951 -1.147 -2.863) 5.833 16.197 ( -1.027 -2.055 4.401) 4.965 16.329 ( 5.172 -0.162 -0.744) 5.227 16.588 ( 0.785 5.227 0.727) 5.335 16.612 ( 7.352 -0.659 -3.895) 8.346 16.847 ( 6.245 -2.305 1.170) 6.759 16.972 ( 1.494 1.116 -0.663) 1.979 17.114 ( -0.164 2.319 2.529) 3.436 17.244 ( -0.878 1.373 -2.090) 2.650 17.301 ( -3.482 -1.340 1.814) 4.149 17.600 ( -5.734 3.162 -1.643) 6.751 17.781 ( -0.802 6.339 -1.160) 6.494 18.030 ( -9.223 -14.600 1.279) 17.316 18.144 ( 8.466 -2.075 3.598) 9.430 18.367 ( -1.301 0.351 -1.615) 2.103 18.443 ( -0.476 3.012 -3.966) 5.002 19.241 ( -9.217 -11.944 -8.087) 17.118 19.812 ( -10.053 2.996 2.309) 10.742 20.157 ( -8.566 -19.280 2.680) 21.267 20.950 ( -8.503 11.013 0.435) 13.921 21.247 ( -12.698 2.615 12.171) 17.783 21.424 ( -5.524 0.612 8.290) 9.980 22.106 ( 6.496 18.016 -12.095) 22.651 ======================= Grid point 22 (22/72) ======================= q-point: ( 0.23 -0.23 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -22.384 22.306 0.000) 31.601 1.793 ( -32.101 8.952 0.000) 33.326 1.884 ( -15.971 7.411 0.000) 17.607 2.560 ( -13.319 -4.182 0.000) 13.960 2.711 ( -5.912 4.087 0.000) 7.187 2.959 ( -3.418 -0.407 0.000) 3.442 3.232 ( -11.141 3.470 0.000) 11.669 3.356 ( -1.588 -2.255 -0.000) 2.758 3.441 ( 1.799 5.344 0.000) 5.638 3.794 ( -26.162 17.427 0.000) 31.435 3.907 ( 9.353 22.762 0.000) 24.608 4.471 ( -11.187 -8.623 -0.000) 14.125 4.568 ( 14.818 -25.171 -0.000) 29.209 4.945 ( 10.444 7.450 0.000) 12.829 5.316 ( 4.687 4.517 0.000) 6.509 5.432 ( 0.138 -6.680 -0.000) 6.682 6.152 ( 10.135 -2.902 -0.000) 10.543 6.476 ( -5.276 2.652 0.000) 5.905 6.676 ( -1.894 7.625 0.000) 7.857 6.869 ( 3.543 -14.024 -0.000) 14.465 7.099 ( -2.977 0.230 0.000) 2.985 7.196 ( 8.852 -7.481 -0.000) 11.590 7.465 ( -0.091 7.608 0.000) 7.609 7.487 ( -5.795 -5.560 -0.000) 8.031 7.619 ( 8.295 12.191 0.000) 14.745 7.651 ( 0.951 9.169 0.000) 9.218 7.899 ( 9.662 1.609 -0.000) 9.795 8.113 ( -9.344 2.048 0.000) 9.565 8.224 ( 7.120 0.406 -0.000) 7.132 8.318 ( -4.712 -6.071 -0.000) 7.685 8.462 ( 1.602 -14.985 -0.000) 15.071 8.533 ( 5.726 1.834 -0.000) 6.013 8.771 ( -1.263 -7.131 -0.000) 7.242 8.909 ( -13.049 -4.931 0.000) 13.949 9.013 ( -7.744 -6.214 -0.000) 9.929 9.120 ( -3.307 -7.490 -0.000) 8.188 9.520 ( 0.341 8.447 0.000) 8.454 9.683 ( -9.436 -6.182 -0.000) 11.280 9.772 ( 3.549 -5.444 -0.000) 6.499 9.982 ( 3.986 -8.530 -0.000) 9.415 10.148 ( -20.575 5.596 0.000) 21.323 10.290 ( 6.189 2.252 -0.000) 6.586 10.313 ( -8.429 -1.420 0.000) 8.548 10.481 ( -4.626 18.394 0.000) 18.966 10.537 ( 11.414 3.176 -0.000) 11.847 10.553 ( 7.114 1.322 -0.000) 7.236 10.779 ( 4.094 -2.252 -0.000) 4.672 11.242 ( 6.207 8.069 0.000) 10.180 11.335 ( -21.165 5.648 0.000) 21.906 11.425 ( -0.712 5.766 0.000) 5.810 11.940 ( 5.002 -0.705 -0.000) 5.051 12.140 ( 2.739 -4.526 -0.000) 5.291 12.145 ( 5.525 0.077 -0.000) 5.525 12.309 ( 9.802 3.907 -0.000) 10.552 12.534 ( 0.249 1.080 0.000) 1.109 12.758 ( 13.953 0.503 -0.000) 13.962 13.114 ( -7.748 -5.991 -0.000) 9.794 13.285 ( -3.715 -1.240 0.000) 3.916 13.298 ( 2.467 -2.040 -0.000) 3.202 13.437 ( -6.209 2.702 0.000) 6.772 13.958 ( 3.846 -7.511 -0.000) 8.439 13.963 ( -3.872 4.357 0.000) 5.829 14.312 ( -0.407 -1.196 -0.000) 1.263 14.412 ( -6.033 -5.510 -0.000) 8.171 14.531 ( -4.128 3.144 0.000) 5.189 14.759 ( 0.242 5.916 0.000) 5.921 14.845 ( 7.061 3.576 -0.000) 7.915 14.991 ( 0.693 3.147 0.000) 3.222 15.217 ( 6.711 1.823 -0.000) 6.955 15.270 ( -8.611 4.024 0.000) 9.505 15.356 ( -0.899 0.029 0.000) 0.900 15.580 ( 6.405 -0.166 -0.000) 6.407 15.671 ( -2.852 -3.457 -0.000) 4.482 15.833 ( 10.089 -6.347 -0.000) 11.919 15.909 ( 3.917 5.507 0.000) 6.758 15.957 ( 5.465 -4.147 -0.000) 6.861 16.082 ( 8.319 -3.537 -0.000) 9.040 16.183 ( -0.767 4.917 0.000) 4.977 16.419 ( 3.773 -5.967 -0.000) 7.059 16.654 ( 4.641 -8.621 -0.000) 9.791 16.675 ( -8.360 -9.961 -0.000) 13.004 16.898 ( 2.805 6.136 0.000) 6.747 17.065 ( -1.545 -2.702 -0.000) 3.112 17.119 ( -0.395 0.914 0.000) 0.996 17.211 ( 4.561 -4.258 -0.000) 6.239 17.260 ( -3.195 9.096 0.000) 9.641 17.350 ( 0.427 0.552 0.000) 0.698 17.872 ( -2.581 2.825 0.000) 3.826 17.980 ( -6.198 -2.249 0.000) 6.593 18.023 ( 4.703 -1.523 -0.000) 4.944 18.430 ( 2.726 2.969 0.000) 4.031 18.518 ( -0.764 3.513 0.000) 3.595 18.523 ( -12.858 12.012 0.000) 17.595 19.601 ( -7.834 10.268 0.000) 12.916 20.536 ( -7.584 1.461 0.000) 7.723 20.844 ( -5.840 -0.383 0.000) 5.853 21.753 ( 1.536 -6.217 -0.000) 6.404 21.840 ( 2.560 -10.579 -0.000) 10.884 22.178 ( -10.945 -19.385 -0.000) 22.262 ======================= Grid point 23 (23/72) ======================= q-point: (-0.10 0.35 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 14.364 -24.413 10.359) 30.160 1.855 ( 26.810 -6.768 8.688) 28.984 2.014 ( 18.956 -5.292 9.835) 22.002 2.614 ( 9.989 3.439 4.356) 11.427 2.717 ( 7.302 -2.417 2.486) 8.084 2.932 ( 5.513 1.007 -2.810) 6.269 3.260 ( 2.220 0.694 2.166) 3.179 3.319 ( -0.790 0.509 -1.632) 1.884 3.485 ( 2.338 -7.830 2.501) 8.546 3.919 ( -1.069 -18.961 4.211) 19.453 3.970 ( 15.857 -12.292 11.062) 22.911 4.433 ( 8.283 10.354 -2.980) 13.590 4.578 ( -11.539 14.142 0.358) 18.256 4.935 ( -8.720 -4.163 -0.442) 9.673 5.294 ( -7.096 -1.519 -5.754) 9.260 5.351 ( 1.775 2.852 -2.531) 4.206 6.241 ( -9.783 -2.020 5.080) 11.207 6.431 ( 4.417 2.842 -1.384) 5.431 6.691 ( 3.325 -3.639 0.382) 4.944 6.889 ( -1.910 13.185 0.296) 13.326 7.094 ( -3.767 -0.952 -1.944) 4.345 7.202 ( -4.477 3.501 -1.032) 5.777 7.343 ( -1.068 0.887 -8.844) 8.952 7.444 ( -1.625 -7.609 -4.948) 9.221 7.493 ( 1.811 -3.315 -2.518) 4.540 7.700 ( -2.572 -7.149 -0.424) 7.609 7.902 ( -6.751 -11.429 -2.015) 13.425 8.036 ( -0.328 9.731 0.314) 9.742 8.327 ( 7.710 6.001 2.343) 10.047 8.424 ( -1.478 0.781 7.550) 7.733 8.544 ( 0.708 8.277 4.904) 9.647 8.611 ( -0.784 -0.957 8.709) 8.796 8.727 ( 4.301 10.131 -1.991) 11.185 8.919 ( 2.881 2.211 1.394) 3.890 9.072 ( 8.495 8.188 3.528) 12.315 9.144 ( 3.184 8.368 3.040) 9.456 9.485 ( 1.059 -2.975 -6.674) 7.383 9.667 ( -2.626 1.310 1.483) 3.288 9.787 ( 1.957 2.976 0.498) 3.597 9.931 ( -2.018 0.723 -3.587) 4.179 10.138 ( 15.768 2.274 0.046) 15.931 10.233 ( 4.544 -4.467 -2.265) 6.763 10.336 ( -3.516 -0.379 -1.996) 4.061 10.408 ( 0.052 -8.237 -1.742) 8.419 10.521 ( 1.039 2.679 -0.916) 3.016 10.712 ( -11.729 -7.735 7.758) 16.049 10.788 ( -0.509 -4.100 0.635) 4.180 11.227 ( -1.475 -6.478 0.148) 6.646 11.297 ( 5.014 -6.605 -2.476) 8.654 11.457 ( 1.815 -4.090 2.177) 4.976 11.910 ( -5.767 0.753 -3.875) 6.989 12.076 ( -3.307 3.604 -0.045) 4.892 12.224 ( -2.777 -0.590 3.212) 4.287 12.303 ( -8.072 -3.680 -0.629) 8.894 12.528 ( 1.812 -0.910 -0.101) 2.031 12.803 ( -15.727 1.226 3.034) 16.064 13.079 ( 11.353 4.946 -2.193) 12.576 13.239 ( 1.240 0.842 -3.901) 4.179 13.287 ( -1.951 0.139 -2.149) 2.906 13.376 ( 7.071 -2.411 -5.769) 9.439 13.954 ( -1.383 1.267 1.607) 2.471 14.043 ( 3.282 3.632 5.201) 7.142 14.274 ( 0.363 -0.666 -2.205) 2.332 14.464 ( 6.980 5.431 4.932) 10.127 14.633 ( 0.704 -1.148 7.765) 7.881 14.763 ( 0.606 -4.654 0.682) 4.742 14.883 ( -4.904 -2.465 3.534) 6.528 14.937 ( -3.912 -4.584 -3.935) 7.197 15.135 ( -1.551 0.558 -5.312) 5.562 15.311 ( -1.823 -1.601 1.439) 2.821 15.398 ( 5.480 -4.449 3.340) 7.809 15.560 ( -5.040 1.912 -1.844) 5.697 15.628 ( 1.808 1.988 -3.153) 4.143 15.829 ( -7.010 3.389 -0.772) 7.824 15.901 ( -7.395 1.133 -3.379) 8.209 15.988 ( -1.216 3.714 -2.338) 4.554 16.028 ( -10.190 -1.252 3.398) 10.815 16.193 ( 0.451 -2.540 0.943) 2.746 16.393 ( -2.226 3.174 -4.169) 5.694 16.641 ( -5.527 4.317 -1.566) 7.186 16.684 ( 5.211 11.151 3.864) 12.901 16.877 ( -4.278 -2.343 -6.083) 7.797 16.940 ( 2.321 -1.148 -0.269) 2.604 17.218 ( 1.748 1.117 -0.418) 2.116 17.221 ( 0.412 1.547 1.884) 2.472 17.329 ( -2.763 0.942 -0.832) 3.035 17.406 ( 1.085 -9.014 10.581) 13.942 17.840 ( 3.984 -2.282 -1.696) 4.895 17.936 ( 3.154 6.483 -0.138) 7.210 18.109 ( -5.071 -3.950 1.072) 6.517 18.325 ( 2.065 -4.237 -2.889) 5.528 18.490 ( 2.963 3.760 0.659) 4.832 18.716 ( 4.320 -15.629 10.124) 19.116 19.638 ( 8.818 -9.644 4.024) 13.674 20.230 ( 6.265 -3.320 -20.529) 21.719 21.012 ( 10.496 2.264 8.049) 13.420 21.650 ( 2.387 4.524 -9.710) 10.975 21.703 ( 8.184 9.725 -11.604) 17.210 22.263 ( 1.545 16.639 8.261) 18.641 ======================= Grid point 24 (24/72) ======================= q-point: ( 0.40 0.35 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 2.727 7.229 0.470) 7.740 2.368 ( 9.982 -1.919 5.740) 11.673 2.531 ( -0.216 6.761 5.729) 8.864 2.626 ( 3.697 -7.360 -5.586) 9.952 2.859 ( 3.543 0.015 6.740) 7.615 2.913 ( -3.220 -5.848 -1.656) 6.878 3.246 ( 5.504 -2.506 3.074) 6.784 3.386 ( -3.391 -2.845 5.913) 7.386 3.677 ( -2.054 -14.777 1.225) 14.970 4.059 ( 1.640 14.420 -2.893) 14.798 4.117 ( -1.222 15.056 -4.039) 15.636 4.304 ( 7.371 -1.508 -1.890) 7.757 4.726 ( -3.366 10.553 -0.497) 11.088 4.929 ( -5.512 10.287 -5.010) 12.701 5.238 ( 1.223 -0.841 3.572) 3.868 5.508 ( 2.244 -10.727 4.865) 11.990 6.200 ( -2.773 -7.547 -3.463) 8.754 6.329 ( 7.097 -5.940 4.090) 10.118 6.581 ( -0.361 -0.405 0.363) 0.653 6.698 ( 10.934 -4.289 -4.078) 12.433 6.845 ( -2.303 8.093 -0.384) 8.424 7.169 ( -3.678 4.017 2.222) 5.883 7.241 ( -0.388 -0.535 -1.775) 1.894 7.433 ( 0.526 -0.869 -0.940) 1.384 7.549 ( 2.774 12.963 -7.798) 15.380 7.677 ( -0.254 -0.480 -4.217) 4.252 7.893 ( -7.155 -4.701 1.977) 8.787 8.100 ( -2.012 1.225 5.496) 5.980 8.274 ( 0.029 1.676 -0.103) 1.679 8.404 ( 0.718 -12.969 3.137) 13.363 8.467 ( 3.396 -12.904 -0.372) 13.349 8.596 ( 6.332 1.947 -6.406) 9.215 8.710 ( 11.486 0.750 0.624) 11.527 8.858 ( 1.278 -8.384 2.044) 8.724 8.974 ( -2.673 3.141 -2.187) 4.668 9.145 ( 1.052 -8.277 4.399) 9.433 9.517 ( 5.527 -3.702 -2.787) 7.213 9.577 ( 1.442 7.159 4.389) 8.520 9.660 ( 9.957 3.038 -2.000) 10.600 9.811 ( -8.599 -2.446 -5.491) 10.492 9.998 ( -6.256 -4.949 -4.139) 8.986 10.219 ( 4.829 1.937 0.690) 5.248 10.380 ( 0.840 -0.637 1.241) 1.629 10.458 ( 7.290 2.958 0.729) 7.901 10.654 ( -0.789 6.420 4.831) 8.073 10.814 ( 6.410 1.144 -1.562) 6.696 11.097 ( -1.370 5.891 2.301) 6.471 11.252 ( 0.679 3.682 -4.006) 5.483 11.505 ( -14.236 0.794 4.789) 15.041 11.649 ( -4.219 4.034 0.906) 5.907 11.667 ( -6.481 0.329 -2.810) 7.071 12.148 ( -13.168 -4.086 0.295) 13.791 12.315 ( -7.564 -1.136 5.638) 9.503 12.460 ( -0.030 5.155 1.781) 5.454 12.618 ( -4.789 1.552 0.490) 5.058 12.726 ( 7.578 0.039 -1.038) 7.649 12.906 ( 4.350 -4.515 -3.138) 7.011 13.006 ( 14.921 -0.735 -2.883) 15.215 13.142 ( 1.229 2.045 -3.611) 4.328 13.308 ( -3.699 9.026 -2.780) 10.143 13.939 ( -0.090 -9.473 2.559) 9.813 14.171 ( 4.022 -1.123 2.790) 5.022 14.260 ( 2.160 0.403 -1.020) 2.422 14.561 ( 2.898 -8.032 1.588) 8.685 14.754 ( 3.691 -4.432 1.671) 6.005 14.842 ( -5.348 2.545 0.587) 5.952 14.953 ( -1.899 0.332 -1.305) 2.328 15.019 ( 1.676 6.286 1.692) 6.722 15.127 ( -8.810 1.306 1.759) 9.079 15.245 ( -5.116 -2.381 -4.725) 7.360 15.392 ( 3.382 0.633 0.354) 3.459 15.481 ( -0.099 -3.650 -4.130) 5.513 15.627 ( -3.541 4.551 5.553) 8.006 15.689 ( -1.224 1.084 -0.464) 1.700 15.759 ( -2.335 -1.815 3.571) 4.637 16.083 ( -6.848 1.630 -3.145) 7.710 16.128 ( -0.726 1.044 0.562) 1.391 16.174 ( -0.001 -0.627 -0.752) 0.979 16.346 ( -6.850 3.429 0.616) 7.685 16.546 ( -3.670 -5.403 0.456) 6.547 16.750 ( -3.184 0.029 5.023) 5.947 16.811 ( -5.774 -0.117 -1.276) 5.914 16.981 ( -0.017 -2.178 -0.299) 2.198 17.052 ( 0.200 0.351 -3.379) 3.403 17.246 ( 4.124 3.427 -0.820) 5.424 17.267 ( -0.993 -2.196 -1.313) 2.744 17.587 ( 7.965 3.350 -2.833) 9.094 17.836 ( 2.920 -6.005 1.016) 6.754 18.016 ( 3.502 8.657 5.166) 10.673 18.085 ( -6.904 -2.320 -2.798) 7.802 18.370 ( -1.472 -1.384 -2.667) 3.346 18.545 ( 0.020 0.352 4.995) 5.008 19.344 ( 7.114 7.774 2.538) 10.839 19.719 ( 8.620 4.005 -4.782) 10.641 20.275 ( 11.081 12.851 11.649) 20.582 20.885 ( 10.963 -10.833 -8.666) 17.682 21.047 ( 11.796 3.335 -3.652) 12.791 21.247 ( 8.930 1.194 -8.815) 12.604 22.324 ( -8.446 -18.972 8.430) 22.413 ======================= Grid point 25 (25/72) ======================= q-point: ( 0.07 -0.07 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -28.851 -0.000 0.000) 28.851 0.881 ( -43.833 -0.000 0.000) 43.833 1.506 ( -13.718 -0.000 0.000) 13.718 1.508 ( -72.195 -0.000 0.000) 72.195 2.650 ( -0.935 -0.000 0.000) 0.935 2.697 ( -8.766 -0.000 0.000) 8.766 2.903 ( -2.377 -0.000 0.000) 2.377 3.443 ( 2.230 0.000 -0.000) 2.230 3.567 ( 11.038 0.000 -0.000) 11.038 3.656 ( 2.733 0.000 -0.000) 2.733 3.776 ( 6.365 0.000 -0.000) 6.365 4.277 ( -17.264 -0.000 0.000) 17.264 5.001 ( -2.253 -0.000 0.000) 2.253 5.088 ( 11.231 0.000 -0.000) 11.231 5.288 ( 2.025 0.000 -0.000) 2.025 5.540 ( 0.662 0.000 -0.000) 0.662 6.447 ( 13.115 0.000 -0.000) 13.115 6.486 ( 5.782 0.000 -0.000) 5.782 6.493 ( -1.824 -0.000 0.000) 1.824 7.036 ( 0.695 0.000 -0.000) 0.695 7.281 ( -7.291 -0.000 0.000) 7.291 7.293 ( 3.193 0.000 -0.000) 3.193 7.345 ( -5.830 -0.000 0.000) 5.830 7.394 ( -4.235 -0.000 0.000) 4.235 7.413 ( 2.445 0.000 -0.000) 2.445 7.519 ( 0.190 0.000 -0.000) 0.190 7.977 ( 4.821 0.000 -0.000) 4.821 8.092 ( 12.704 0.000 -0.000) 12.704 8.437 ( 2.223 0.000 -0.000) 2.223 8.446 ( -8.170 -0.000 0.000) 8.170 8.456 ( 11.076 0.000 -0.000) 11.076 8.645 ( -9.392 -0.000 0.000) 9.392 8.700 ( -10.704 -0.000 0.000) 10.704 8.831 ( 5.185 0.000 -0.000) 5.185 8.931 ( -10.308 -0.000 0.000) 10.308 9.278 ( 8.342 0.000 -0.000) 8.342 9.412 ( 1.619 0.000 -0.000) 1.619 9.447 ( -12.385 -0.000 0.000) 12.385 9.841 ( -6.388 -0.000 0.000) 6.388 9.943 ( -6.770 -0.000 0.000) 6.770 10.054 ( -17.197 -0.000 0.000) 17.197 10.212 ( 5.136 0.000 -0.000) 5.136 10.296 ( 12.260 0.000 -0.000) 12.260 10.381 ( 7.469 0.000 -0.000) 7.469 10.672 ( 4.681 0.000 -0.000) 4.681 10.749 ( -22.665 -0.000 0.000) 22.665 10.757 ( 21.971 0.000 -0.000) 21.971 10.859 ( -11.081 -0.000 0.000) 11.081 11.227 ( 4.214 0.000 -0.000) 4.214 11.312 ( 0.033 0.000 -0.000) 0.033 11.908 ( -7.132 -0.000 0.000) 7.132 12.096 ( -2.085 -0.000 0.000) 2.085 12.263 ( 2.180 0.000 -0.000) 2.180 12.387 ( -7.044 -0.000 0.000) 7.044 12.569 ( 10.732 0.000 -0.000) 10.732 13.026 ( -4.740 -0.000 0.000) 4.740 13.033 ( 12.701 0.000 -0.000) 12.701 13.216 ( -7.723 -0.000 0.000) 7.723 13.362 ( 1.189 0.000 -0.000) 1.189 13.561 ( 17.001 0.000 -0.000) 17.001 13.907 ( 1.088 0.000 -0.000) 1.088 13.981 ( -5.892 -0.000 0.000) 5.892 14.302 ( -12.685 -0.000 0.000) 12.685 14.353 ( 0.956 0.000 -0.000) 0.956 14.483 ( 0.706 0.000 -0.000) 0.706 14.651 ( -0.844 -0.000 0.000) 0.844 14.937 ( 3.515 0.000 -0.000) 3.515 14.979 ( 11.238 0.000 -0.000) 11.238 15.048 ( -8.636 -0.000 0.000) 8.636 15.314 ( 4.059 0.000 -0.000) 4.059 15.360 ( -0.155 -0.000 0.000) 0.155 15.563 ( -9.243 -0.000 0.000) 9.243 15.656 ( 2.214 0.000 -0.000) 2.214 15.938 ( 4.618 0.000 -0.000) 4.618 15.995 ( -0.829 -0.000 0.000) 0.829 16.146 ( 2.582 0.000 -0.000) 2.582 16.231 ( 14.143 0.000 -0.000) 14.143 16.330 ( 9.618 0.000 -0.000) 9.618 16.517 ( -0.565 -0.000 0.000) 0.565 16.707 ( -6.971 -0.000 0.000) 6.971 16.792 ( -4.740 -0.000 0.000) 4.740 16.904 ( 4.604 0.000 -0.000) 4.604 17.005 ( -3.229 -0.000 0.000) 3.229 17.086 ( -1.832 -0.000 0.000) 1.832 17.173 ( -0.563 -0.000 0.000) 0.563 17.296 ( 0.175 0.000 -0.000) 0.175 17.499 ( 12.783 0.000 -0.000) 12.783 17.729 ( -4.043 -0.000 0.000) 4.043 17.907 ( -3.639 -0.000 0.000) 3.639 18.143 ( 3.780 0.000 -0.000) 3.780 18.251 ( -4.876 -0.000 0.000) 4.876 18.441 ( 10.645 0.000 -0.000) 10.645 18.501 ( -2.003 -0.000 0.000) 2.003 19.226 ( -14.169 -0.000 0.000) 14.169 20.335 ( -9.533 -0.000 0.000) 9.533 20.733 ( -5.089 -0.000 0.000) 5.089 21.825 ( -1.803 -0.000 0.000) 1.803 21.974 ( 0.180 0.000 -0.000) 0.180 22.376 ( -1.345 -0.000 0.000) 1.345 ======================= Grid point 26 (26/72) ======================= q-point: (-0.43 -0.07 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -10.371 0.000 0.000) 10.371 2.246 ( -5.362 0.000 0.000) 5.362 2.258 ( -13.291 0.000 -0.000) 13.291 2.563 ( -3.135 0.000 -0.000) 3.135 2.655 ( -3.866 0.000 0.000) 3.866 3.068 ( 6.383 0.000 0.000) 6.383 3.240 ( -0.505 0.000 0.000) 0.505 3.271 ( 4.947 -0.000 -0.000) 4.947 3.643 ( 15.154 0.000 0.000) 15.154 4.197 ( -1.262 0.000 0.000) 1.262 4.292 ( -3.002 -0.000 0.000) 3.002 4.486 ( -11.813 0.000 0.000) 11.813 4.584 ( -6.213 0.000 0.000) 6.213 4.907 ( 0.349 -0.000 -0.000) 0.349 5.070 ( -10.377 0.000 -0.000) 10.377 5.743 ( 19.190 0.000 0.000) 19.190 6.077 ( -0.812 0.000 0.000) 0.812 6.221 ( -2.847 0.000 0.000) 2.847 6.421 ( -3.017 0.000 0.000) 3.017 6.529 ( -4.690 0.000 0.000) 4.690 6.867 ( -6.121 0.000 0.000) 6.121 7.318 ( 7.574 0.000 0.000) 7.574 7.453 ( 2.536 0.000 0.000) 2.536 7.658 ( 10.255 0.000 -0.000) 10.255 7.731 ( 5.913 -0.000 0.000) 5.913 7.864 ( 5.030 0.000 -0.000) 5.030 7.897 ( -8.538 -0.000 -0.000) 8.538 7.963 ( -4.883 0.000 0.000) 4.883 8.044 ( 2.886 -0.000 0.000) 2.886 8.164 ( 0.815 0.000 0.000) 0.815 8.300 ( -9.164 0.000 -0.000) 9.164 8.497 ( -9.196 0.000 0.000) 9.196 8.573 ( -3.233 -0.000 0.000) 3.233 8.629 ( -6.833 0.000 0.000) 6.833 9.106 ( 9.943 0.000 0.000) 9.943 9.165 ( 4.059 0.000 0.000) 4.059 9.343 ( -8.750 -0.000 -0.000) 8.750 9.469 ( -5.001 0.000 0.000) 5.001 9.578 ( -8.120 0.000 0.000) 8.120 9.938 ( 3.550 0.000 0.000) 3.550 10.010 ( -10.740 0.000 0.000) 10.740 10.323 ( 7.763 -0.000 -0.000) 7.763 10.331 ( 0.197 0.000 0.000) 0.197 10.371 ( 1.310 0.000 0.000) 1.310 10.629 ( -5.732 0.000 0.000) 5.732 10.887 ( 10.032 0.000 0.000) 10.032 11.233 ( 4.651 0.000 0.000) 4.651 11.347 ( -2.171 0.000 0.000) 2.171 11.595 ( 6.745 -0.000 0.000) 6.745 11.747 ( 0.885 0.000 0.000) 0.885 11.820 ( 8.274 0.000 0.000) 8.274 12.147 ( -4.421 0.000 0.000) 4.421 12.301 ( -2.493 0.000 0.000) 2.493 12.367 ( -5.307 0.000 0.000) 5.307 12.562 ( -13.583 0.000 0.000) 13.583 12.780 ( 5.910 0.000 0.000) 5.910 12.948 ( 17.982 0.000 0.000) 17.982 13.174 ( -2.206 -0.000 -0.000) 2.206 13.189 ( 14.914 0.000 0.000) 14.914 13.531 ( -10.271 0.000 -0.000) 10.271 13.548 ( -4.911 -0.000 0.000) 4.911 14.052 ( -6.148 0.000 0.000) 6.148 14.261 ( -3.705 0.000 0.000) 3.705 14.350 ( 2.275 0.000 0.000) 2.275 14.612 ( -1.351 0.000 -0.000) 1.351 14.905 ( -3.150 0.000 0.000) 3.150 14.989 ( -3.658 0.000 0.000) 3.658 15.064 ( 7.004 0.000 0.000) 7.004 15.282 ( -2.317 0.000 0.000) 2.317 15.285 ( -0.840 -0.000 -0.000) 0.840 15.462 ( 10.153 0.000 -0.000) 10.153 15.530 ( 5.327 0.000 0.000) 5.327 15.552 ( -5.285 0.000 -0.000) 5.285 15.753 ( 0.751 0.000 0.000) 0.751 15.887 ( 9.125 0.000 0.000) 9.125 16.110 ( -0.256 0.000 0.000) 0.256 16.215 ( -5.378 0.000 -0.000) 5.378 16.329 ( 4.002 0.000 0.000) 4.002 16.372 ( 11.581 0.000 0.000) 11.581 16.625 ( 3.128 -0.000 0.000) 3.128 16.653 ( -0.517 0.000 -0.000) 0.517 16.776 ( -7.811 0.000 0.000) 7.811 17.108 ( 3.631 0.000 0.000) 3.631 17.154 ( -0.441 0.000 -0.000) 0.441 17.271 ( -1.572 0.000 0.000) 1.572 17.361 ( 23.577 -0.000 0.000) 23.577 17.406 ( -9.499 0.000 0.000) 9.499 17.669 ( -3.424 0.000 0.000) 3.424 18.022 ( -8.173 0.000 -0.000) 8.173 18.246 ( -6.514 0.000 -0.000) 6.514 18.438 ( 0.332 0.000 0.000) 0.332 18.447 ( 17.494 0.000 -0.000) 17.494 19.026 ( -17.160 0.000 0.000) 17.160 19.479 ( -15.811 0.000 0.000) 15.811 20.322 ( -7.349 0.000 0.000) 7.349 20.547 ( -6.448 -0.000 0.000) 6.448 21.090 ( -9.469 0.000 0.000) 9.469 21.418 ( 1.765 0.000 -0.000) 1.765 21.962 ( 3.987 0.000 0.000) 3.987 ======================= Grid point 28 (27/72) ======================= q-point: ( 0.24 -0.49 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -4.934 16.323 2.290) 17.205 2.331 ( -2.079 6.911 1.458) 7.363 2.600 ( 1.221 -3.015 0.758) 3.340 2.714 ( 2.660 -2.075 -1.734) 3.793 2.964 ( 5.249 -1.302 -0.531) 5.435 3.116 ( -5.221 -12.716 2.585) 13.987 3.356 ( -2.181 -0.752 4.890) 5.407 3.485 ( 6.236 10.535 1.578) 12.344 3.585 ( -12.923 7.550 0.485) 14.975 3.691 ( 0.005 2.156 7.841) 8.132 3.958 ( -1.014 -10.141 -8.952) 13.564 4.393 ( -1.223 0.920 -3.086) 3.444 4.586 ( 5.512 -0.371 -2.834) 6.209 4.846 ( 6.393 2.103 -4.939) 8.348 5.355 ( 1.953 -3.531 7.699) 8.692 5.384 ( -10.457 14.926 2.939) 18.460 6.081 ( -3.313 4.802 -1.230) 5.962 6.586 ( 0.597 -4.524 -0.607) 4.603 6.730 ( 5.012 -9.946 1.866) 11.293 6.826 ( -3.251 -3.127 -0.355) 4.525 6.951 ( 10.566 -3.671 -4.489) 12.052 7.073 ( -3.791 -1.660 -3.049) 5.140 7.135 ( 3.833 8.964 3.474) 10.350 7.410 ( 0.693 6.922 4.620) 8.351 7.494 ( 5.410 6.243 -6.598) 10.573 7.637 ( 3.816 6.522 0.647) 7.584 7.770 ( -6.183 -1.159 1.623) 6.497 8.179 ( -1.111 -12.135 4.028) 12.834 8.313 ( 0.714 -3.083 -4.467) 5.475 8.499 ( -1.899 0.130 -0.465) 1.959 8.588 ( -1.667 1.480 -3.767) 4.377 8.749 ( -3.478 -7.684 -5.467) 10.051 8.888 ( 3.822 0.368 -5.302) 6.547 9.027 ( -6.679 -7.676 -0.610) 10.194 9.041 ( -3.340 -8.049 0.924) 8.763 9.302 ( 10.533 -11.900 13.915) 21.123 9.505 ( 1.664 4.532 -0.805) 4.894 9.694 ( -1.701 -0.947 1.344) 2.366 9.762 ( 2.997 -1.689 0.394) 3.462 9.798 ( -2.119 -2.213 -0.990) 3.220 9.895 ( 2.890 -5.079 -9.312) 10.994 10.289 ( -0.611 2.940 3.586) 4.677 10.401 ( 1.423 -4.034 2.404) 4.907 10.484 ( 5.077 8.049 -0.876) 9.557 10.715 ( -3.374 12.329 2.172) 12.966 10.857 ( 4.171 5.607 -1.895) 7.240 10.903 ( 10.118 5.904 4.886) 12.692 11.120 ( 7.853 8.761 -2.341) 11.996 11.230 ( -0.942 0.521 2.437) 2.664 11.374 ( -19.561 1.526 -6.173) 20.569 11.510 ( -2.627 3.184 1.651) 4.446 12.042 ( -6.027 -4.741 3.330) 8.360 12.207 ( -10.153 -8.988 2.183) 13.734 12.424 ( 3.061 0.685 1.304) 3.397 12.496 ( -3.297 -1.132 -2.385) 4.224 12.734 ( -8.821 7.451 1.934) 11.708 12.949 ( 6.590 7.507 -2.859) 10.391 13.178 ( 2.562 -0.067 -1.308) 2.878 13.312 ( 12.282 -1.377 -0.689) 12.378 13.453 ( 19.180 -5.269 -4.575) 20.410 13.959 ( -9.011 -5.725 1.835) 10.832 14.259 ( -2.341 0.910 2.584) 3.603 14.275 ( -1.671 1.394 1.188) 2.480 14.636 ( -6.512 2.899 -0.360) 7.137 14.643 ( -0.633 1.639 -0.672) 1.881 14.767 ( 0.973 1.214 -5.564) 5.778 14.932 ( 1.350 0.769 -0.679) 1.696 14.985 ( -4.628 0.467 0.977) 4.753 15.102 ( -3.526 -9.694 5.830) 11.849 15.295 ( 4.454 -2.508 -0.307) 5.121 15.389 ( -5.461 1.834 5.060) 7.667 15.427 ( 2.352 0.706 0.394) 2.487 15.577 ( -0.113 3.349 1.379) 3.623 15.691 ( -2.590 -1.913 -3.165) 4.515 15.729 ( -2.702 -2.774 3.320) 5.101 15.917 ( -3.854 1.097 -3.458) 5.293 16.090 ( -1.423 -1.208 -1.063) 2.148 16.212 ( 1.653 0.928 -3.526) 4.003 16.285 ( 0.940 -3.448 1.399) 3.838 16.532 ( -3.253 -2.424 3.451) 5.326 16.664 ( 2.108 1.340 6.777) 7.223 16.869 ( -2.639 -10.339 0.097) 10.671 17.061 ( -1.034 0.446 -2.395) 2.646 17.126 ( 4.461 -3.076 -3.334) 6.362 17.229 ( 3.352 3.145 -0.855) 4.675 17.249 ( 0.028 1.496 -1.131) 1.875 17.435 ( 1.632 14.413 -9.111) 17.129 17.907 ( -2.176 6.513 3.363) 7.646 18.028 ( -2.186 -9.378 -0.577) 9.647 18.084 ( 4.134 0.702 5.910) 7.247 18.332 ( -2.654 1.672 -2.796) 4.202 18.542 ( 1.045 -0.973 -0.026) 1.428 18.979 ( -6.294 18.463 2.822) 19.709 19.715 ( 3.747 5.251 -7.531) 9.917 20.271 ( 4.650 4.093 19.674) 20.626 21.186 ( 2.922 -2.168 -17.571) 17.943 21.412 ( 13.797 -4.197 1.340) 14.484 21.548 ( 13.730 -8.353 -4.676) 16.737 22.526 ( -8.638 -14.421 6.368) 17.975 ======================= Grid point 29 (28/72) ======================= q-point: (-0.26 0.51 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 6.079 -9.361 4.249) 11.943 2.313 ( 8.389 -5.371 3.355) 10.511 2.437 ( 11.284 -1.366 5.927) 12.819 2.651 ( 3.279 4.581 1.809) 5.917 2.801 ( 0.342 1.093 1.507) 1.893 2.988 ( 1.117 0.791 -0.342) 1.410 3.204 ( -3.045 2.596 -0.744) 4.070 3.495 ( 14.589 -4.780 -1.054) 15.388 3.544 ( -6.792 10.980 -6.156) 14.303 3.933 ( -1.398 -12.949 7.500) 15.030 4.258 ( -3.092 -18.372 -5.414) 19.401 4.466 ( -0.854 -6.316 2.473) 6.836 4.665 ( -4.808 -2.758 3.705) 6.668 4.906 ( 1.360 2.010 -10.844) 11.112 5.263 ( -1.162 4.953 -1.843) 5.411 5.395 ( 9.162 -3.029 6.136) 11.436 6.049 ( 0.568 4.966 5.031) 7.092 6.536 ( 4.171 3.174 -6.369) 8.248 6.621 ( -4.491 3.663 1.128) 5.904 6.738 ( 0.322 -0.197 -1.844) 1.882 7.003 ( -3.975 3.770 1.909) 5.802 7.116 ( -1.197 -4.747 3.558) 6.052 7.319 ( -0.491 3.384 -5.164) 6.194 7.468 ( -2.642 6.455 2.489) 7.406 7.608 ( -0.764 -4.501 -10.042) 11.031 7.724 ( 2.260 -8.509 -1.400) 8.914 7.853 ( -4.566 1.919 5.209) 7.188 8.048 ( -3.494 -2.748 3.524) 5.673 8.209 ( 3.609 11.269 0.740) 11.856 8.304 ( 0.337 -0.263 -1.541) 1.599 8.500 ( 4.975 1.402 9.503) 10.818 8.590 ( 7.389 10.809 -2.180) 13.273 8.781 ( -2.696 -4.222 8.860) 10.178 8.928 ( 0.589 -0.399 -4.013) 4.075 8.974 ( -0.193 0.175 0.358) 0.443 9.066 ( 5.519 10.557 0.194) 11.914 9.527 ( -2.682 -4.134 -2.557) 5.552 9.639 ( -3.366 -1.700 2.377) 4.457 9.753 ( 0.656 4.147 1.330) 4.404 9.856 ( 1.037 4.175 8.845) 9.836 10.150 ( 1.018 -3.037 -10.496) 10.974 10.279 ( 2.436 3.046 -9.411) 10.187 10.353 ( -5.169 0.756 0.937) 5.308 10.487 ( -2.912 -2.307 -2.516) 4.486 10.792 ( 9.388 -2.740 1.748) 9.935 10.850 ( 13.967 -2.130 2.439) 14.338 11.033 ( 7.775 -14.641 0.777) 16.595 11.237 ( -4.467 -3.105 2.179) 5.860 11.481 ( -2.187 1.298 -5.727) 6.266 11.560 ( 2.049 -5.552 -1.484) 6.102 11.641 ( -22.239 -2.779 -2.171) 22.517 11.819 ( -6.929 3.998 3.620) 8.780 11.956 ( -5.369 6.212 -0.095) 8.211 12.450 ( -0.789 -0.416 -0.770) 1.178 12.530 ( -7.013 0.448 0.405) 7.039 12.701 ( 12.623 -8.938 5.037) 16.266 13.196 ( -1.593 1.154 -1.995) 2.801 13.257 ( 8.187 0.261 -1.570) 8.341 13.341 ( -0.547 -2.391 -1.708) 2.989 13.527 ( 4.094 3.387 -3.255) 6.231 13.640 ( -6.954 8.864 4.617) 12.176 14.219 ( 7.241 -2.237 -0.273) 7.583 14.321 ( 0.818 -1.918 -1.131) 2.372 14.536 ( 8.003 2.263 6.950) 10.839 14.695 ( 1.660 -0.862 -1.098) 2.168 14.788 ( -7.063 -2.248 1.505) 7.563 14.822 ( -1.393 0.033 3.814) 4.061 14.921 ( -0.472 2.144 -2.286) 3.170 15.153 ( -1.796 -6.017 -3.527) 7.202 15.344 ( -0.770 0.832 -1.740) 2.077 15.356 ( -1.036 2.523 -2.443) 3.662 15.458 ( -4.202 2.071 2.545) 5.331 15.613 ( -1.061 2.477 -1.814) 3.248 15.633 ( -3.466 -0.408 -1.979) 4.012 15.722 ( -5.368 1.053 -6.419) 8.434 15.953 ( 2.320 -1.963 9.594) 10.064 16.054 ( 0.867 -3.049 2.377) 3.962 16.218 ( -4.684 3.151 0.429) 5.661 16.267 ( -2.018 -0.122 1.717) 2.653 16.417 ( 1.055 2.928 -4.389) 5.381 16.696 ( 1.863 -0.756 -1.233) 2.358 16.781 ( -5.366 0.386 -7.314) 9.079 17.012 ( 1.326 1.672 -0.550) 2.204 17.101 ( -1.061 3.077 3.255) 4.603 17.185 ( 1.243 1.698 4.216) 4.712 17.399 ( 1.604 -3.009 -1.157) 3.600 17.635 ( 2.774 -3.919 3.020) 5.672 17.842 ( 1.344 5.460 -5.037) 7.549 17.952 ( -1.246 -4.002 4.193) 5.929 18.150 ( 2.460 -1.949 5.594) 6.414 18.387 ( -1.834 -0.211 0.836) 2.026 18.530 ( 2.509 -2.481 -7.433) 8.228 19.256 ( 9.829 -18.234 6.270) 21.643 19.920 ( 0.307 -7.500 1.056) 7.580 20.451 ( 2.216 -10.135 -13.354) 16.910 21.038 ( 3.285 9.604 5.033) 11.329 21.467 ( -4.899 13.470 2.795) 14.603 21.567 ( -3.347 -0.149 -0.355) 3.369 21.949 ( 7.641 18.816 -2.473) 20.458 ======================= Grid point 30 (29/72) ======================= q-point: ( 0.42 0.08 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.000 6.679 27.059) 27.871 1.982 ( -0.000 9.552 13.709) 16.709 2.185 ( -0.000 1.949 -2.678) 3.312 2.418 ( -0.000 8.404 3.239) 9.007 2.682 ( 0.000 -2.930 -2.293) 3.721 3.120 ( -0.000 4.796 7.335) 8.764 3.131 ( -0.000 2.313 5.885) 6.323 3.287 ( -0.000 5.525 1.968) 5.865 3.752 ( -0.000 16.535 -4.943) 17.258 3.846 ( -0.000 8.062 2.377) 8.406 4.329 ( -0.000 7.074 1.006) 7.145 4.372 ( 0.000 -10.618 0.424) 10.627 4.475 ( 0.000 -1.555 11.766) 11.868 5.036 ( 0.000 -4.646 -13.169) 13.965 5.177 ( 0.000 -12.351 -3.081) 12.729 5.505 ( -0.000 21.920 6.033) 22.735 6.265 ( 0.000 -18.154 2.534) 18.330 6.281 ( 0.000 -3.526 -2.012) 4.060 6.489 ( 0.000 -8.602 1.923) 8.815 6.699 ( 0.000 -8.801 -16.677) 18.857 6.851 ( 0.000 0.272 3.859) 3.869 7.342 ( -0.000 5.731 -4.331) 7.183 7.382 ( -0.000 5.696 -4.541) 7.285 7.561 ( -0.000 9.809 -5.297) 11.148 7.695 ( -0.000 5.570 -8.040) 9.781 7.871 ( 0.000 -3.438 -2.505) 4.253 7.907 ( -0.000 0.548 -3.633) 3.675 7.997 ( -0.000 5.098 5.124) 7.228 8.101 ( 0.000 -13.111 -0.009) 13.111 8.248 ( 0.000 -5.301 0.915) 5.380 8.402 ( 0.000 -4.533 0.670) 4.582 8.479 ( 0.000 -12.439 10.104) 16.026 8.561 ( 0.000 -1.349 -1.216) 1.816 8.614 ( 0.000 -7.234 -2.162) 7.550 9.084 ( -0.000 5.055 3.062) 5.911 9.162 ( -0.000 5.200 6.333) 8.195 9.307 ( 0.000 -3.754 -4.550) 5.899 9.456 ( 0.000 -0.670 -2.606) 2.690 9.522 ( 0.000 -3.792 -1.684) 4.149 9.964 ( -0.000 2.658 -2.399) 3.580 9.993 ( 0.000 -10.350 -8.520) 13.406 10.182 ( -0.000 5.712 7.561) 9.476 10.404 ( -0.000 0.576 -0.567) 0.808 10.446 ( 0.000 -1.580 4.248) 4.532 10.631 ( 0.000 -0.851 1.595) 1.808 10.993 ( -0.000 0.653 1.832) 1.944 11.117 ( -0.000 15.768 -3.695) 16.195 11.364 ( 0.000 -6.707 5.089) 8.419 11.706 ( 0.000 -0.784 7.361) 7.402 11.755 ( 0.000 -2.863 1.226) 3.115 11.848 ( -0.000 12.042 -0.852) 12.072 12.025 ( -0.000 1.652 1.255) 2.075 12.221 ( -0.000 4.939 -2.199) 5.406 12.330 ( 0.000 -2.919 -6.942) 7.531 12.418 ( 0.000 -3.736 -0.253) 3.745 12.847 ( -0.000 5.215 -8.569) 10.031 12.963 ( -0.000 7.705 5.679) 9.572 13.324 ( 0.000 -3.209 1.872) 3.715 13.331 ( -0.000 1.894 -0.184) 1.902 13.464 ( 0.000 -6.495 -6.594) 9.255 13.596 ( 0.000 -10.738 -1.291) 10.815 13.983 ( 0.000 -2.589 6.399) 6.903 14.227 ( -0.000 1.213 2.263) 2.568 14.392 ( 0.000 -0.308 0.970) 1.018 14.673 ( 0.000 -6.385 1.585) 6.578 14.841 ( -0.000 0.610 2.296) 2.376 14.930 ( 0.000 -0.165 -0.029) 0.168 15.214 ( -0.000 0.848 0.911) 1.245 15.234 ( 0.000 -3.687 1.020) 3.825 15.285 ( 0.000 -1.472 -1.674) 2.229 15.489 ( -0.000 7.585 -0.012) 7.585 15.494 ( -0.000 0.905 1.102) 1.426 15.574 ( -0.000 0.231 -3.925) 3.932 15.739 ( -0.000 3.201 1.245) 3.434 15.953 ( -0.000 3.363 -12.703) 13.141 16.033 ( -0.000 1.964 -0.236) 1.978 16.128 ( 0.000 -1.123 -1.077) 1.556 16.349 ( -0.000 9.566 1.411) 9.669 16.523 ( 0.000 -9.553 4.498) 10.559 16.626 ( -0.000 0.505 0.314) 0.595 16.692 ( 0.000 -1.198 1.720) 2.096 16.872 ( 0.000 -9.839 5.342) 11.196 17.094 ( -0.000 3.560 3.169) 4.766 17.133 ( -0.000 8.266 -4.335) 9.334 17.190 ( -0.000 1.356 -1.870) 2.310 17.273 ( 0.000 -0.568 -1.695) 1.788 17.687 ( 0.000 -5.731 2.262) 6.161 17.746 ( 0.000 -4.157 -8.392) 9.365 17.826 ( -0.000 6.905 -1.578) 7.083 18.153 ( 0.000 -2.091 5.162) 5.570 18.405 ( -0.000 2.535 3.992) 4.729 18.717 ( 0.000 -2.135 3.364) 3.984 18.841 ( -0.000 1.363 11.096) 11.180 19.305 ( 0.000 -3.793 6.368) 7.412 19.923 ( -0.000 19.295 -7.398) 20.665 20.689 ( 0.000 -7.627 -2.027) 7.891 20.907 ( -0.000 7.246 -14.316) 16.045 21.315 ( -0.000 3.944 -11.129) 11.807 22.254 ( 0.000 -17.272 14.348) 22.454 ======================= Grid point 31 (30/72) ======================= q-point: (-0.08 0.08 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 -34.784 -0.000) 34.784 0.791 ( 0.000 -36.364 -0.000) 36.364 1.290 ( 0.000 -57.188 -0.000) 57.188 1.757 ( 0.000 -28.178 -0.000) 28.178 2.405 ( 0.000 -2.080 -0.000) 2.080 2.871 ( -0.000 0.715 0.000) 0.715 3.056 ( -0.000 1.649 0.000) 1.649 3.390 ( -0.000 4.201 0.000) 4.201 3.665 ( -0.000 4.831 0.000) 4.831 3.669 ( -0.000 0.728 0.000) 0.728 3.989 ( -0.000 3.741 0.000) 3.741 4.137 ( 0.000 -22.330 -0.000) 22.330 4.807 ( -0.000 13.476 0.000) 13.476 5.305 ( 0.000 -8.401 -0.000) 8.401 5.308 ( -0.000 0.274 0.000) 0.274 5.447 ( -0.000 7.133 0.000) 7.133 6.328 ( -0.000 17.064 0.000) 17.064 6.632 ( 0.000 -3.502 -0.000) 3.502 6.673 ( -0.000 29.384 0.000) 29.384 6.777 ( 0.000 -8.693 -0.000) 8.693 7.179 ( 0.000 -7.523 -0.000) 7.523 7.202 ( -0.000 4.072 0.000) 4.072 7.386 ( 0.000 -4.489 -0.000) 4.489 7.479 ( 0.000 -4.376 -0.000) 4.376 7.667 ( 0.000 -14.910 -0.000) 14.910 7.700 ( 0.000 -2.847 -0.000) 2.847 8.148 ( -0.000 5.642 0.000) 5.642 8.343 ( 0.000 -2.399 -0.000) 2.399 8.381 ( -0.000 0.265 0.000) 0.265 8.388 ( -0.000 18.563 0.000) 18.563 8.400 ( 0.000 -1.604 -0.000) 1.604 8.571 ( 0.000 -0.307 -0.000) 0.307 8.609 ( -0.000 15.862 0.000) 15.862 8.828 ( 0.000 -7.094 -0.000) 7.094 8.864 ( -0.000 5.203 0.000) 5.203 9.085 ( -0.000 12.929 0.000) 12.929 9.503 ( 0.000 -4.283 -0.000) 4.283 9.638 ( 0.000 -7.002 -0.000) 7.002 9.658 ( -0.000 3.781 0.000) 3.781 9.671 ( -0.000 7.860 0.000) 7.860 9.834 ( -0.000 3.383 0.000) 3.383 10.237 ( -0.000 5.593 0.000) 5.593 10.305 ( -0.000 8.227 0.000) 8.227 10.439 ( 0.000 -6.000 -0.000) 6.000 10.580 ( 0.000 -13.192 -0.000) 13.192 10.871 ( 0.000 -8.061 -0.000) 8.061 10.964 ( 0.000 -18.586 -0.000) 18.586 11.114 ( -0.000 1.543 0.000) 1.543 11.189 ( -0.000 7.235 0.000) 7.235 11.639 ( 0.000 -9.687 -0.000) 9.687 11.778 ( -0.000 1.015 0.000) 1.015 12.081 ( 0.000 -0.531 -0.000) 0.531 12.295 ( 0.000 -1.599 -0.000) 1.599 12.525 ( -0.000 2.938 0.000) 2.938 12.705 ( -0.000 0.846 0.000) 0.846 12.712 ( 0.000 -3.489 -0.000) 3.489 13.111 ( -0.000 1.037 0.000) 1.037 13.180 ( 0.000 -0.946 -0.000) 0.946 13.336 ( -0.000 3.616 0.000) 3.616 13.752 ( -0.000 3.258 0.000) 3.258 13.851 ( -0.000 5.390 0.000) 5.390 13.980 ( -0.000 1.152 0.000) 1.152 14.118 ( 0.000 -0.473 -0.000) 0.473 14.361 ( -0.000 0.861 0.000) 0.861 14.463 ( -0.000 1.265 0.000) 1.265 14.694 ( 0.000 -3.612 -0.000) 3.612 14.940 ( 0.000 -0.036 -0.000) 0.036 15.193 ( 0.000 -0.009 -0.000) 0.009 15.270 ( 0.000 -1.726 -0.000) 1.726 15.364 ( 0.000 -0.920 -0.000) 0.920 15.408 ( -0.000 0.231 0.000) 0.231 15.489 ( 0.000 -0.058 -0.000) 0.058 15.626 ( 0.000 -0.521 -0.000) 0.521 15.781 ( 0.000 -1.380 -0.000) 1.380 16.008 ( 0.000 -1.482 -0.000) 1.482 16.073 ( 0.000 -8.052 -0.000) 8.052 16.180 ( -0.000 0.941 0.000) 0.941 16.314 ( -0.000 4.480 0.000) 4.480 16.444 ( -0.000 0.788 0.000) 0.788 16.626 ( 0.000 -0.083 -0.000) 0.083 16.626 ( 0.000 -0.875 -0.000) 0.875 16.910 ( -0.000 12.228 0.000) 12.228 17.018 ( -0.000 0.733 0.000) 0.733 17.059 ( 0.000 -11.065 -0.000) 11.065 17.200 ( 0.000 -2.217 -0.000) 2.217 17.260 ( -0.000 2.722 0.000) 2.722 17.636 ( -0.000 1.965 0.000) 1.965 17.797 ( 0.000 -9.365 -0.000) 9.365 17.991 ( 0.000 -10.001 -0.000) 10.001 18.124 ( -0.000 6.759 0.000) 6.759 18.190 ( 0.000 -2.251 -0.000) 2.251 18.290 ( -0.000 4.775 0.000) 4.775 18.602 ( 0.000 -0.820 -0.000) 0.820 19.093 ( 0.000 -4.069 -0.000) 4.069 20.252 ( 0.000 -2.341 -0.000) 2.341 20.660 ( -0.000 1.436 0.000) 1.436 21.653 ( -0.000 7.347 0.000) 7.347 21.750 ( 0.000 -2.057 -0.000) 2.057 21.872 ( -0.000 9.346 0.000) 9.346 ======================= Grid point 32 (31/72) ======================= q-point: ( 0.59 -0.34 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.773 3.851 4.683) 6.112 2.392 ( -2.837 2.453 3.670) 5.248 2.489 ( -4.316 3.355 3.649) 6.572 2.604 ( -1.703 -0.378 -0.426) 1.795 2.779 ( -0.829 -1.558 3.042) 3.517 2.973 ( -1.391 -0.887 -0.258) 1.670 3.180 ( 6.702 1.186 -1.869) 7.058 3.324 ( 0.171 -4.134 -3.799) 5.617 3.593 ( -9.101 4.332 -1.816) 10.241 4.202 ( 0.582 -1.863 1.832) 2.677 4.386 ( -12.039 6.455 3.226) 14.036 4.628 ( 9.392 -7.056 -4.342) 12.524 4.806 ( 1.903 10.821 -3.143) 11.428 4.837 ( 3.546 -11.941 -2.827) 12.773 5.150 ( 0.929 1.839 0.166) 2.067 5.358 ( -2.454 0.820 0.801) 2.709 5.999 ( -0.433 2.694 5.807) 6.416 6.493 ( -2.428 1.023 -0.823) 2.760 6.568 ( -3.105 -3.102 -4.358) 6.185 6.808 ( -2.116 3.245 1.945) 4.334 6.893 ( 5.318 -4.743 -2.474) 7.543 7.176 ( -2.112 -0.847 -2.890) 3.678 7.302 ( -0.569 -3.723 -2.036) 4.281 7.315 ( 1.147 4.298 7.418) 8.649 7.654 ( 1.131 -0.874 -8.287) 8.410 7.748 ( -1.027 -1.677 13.300) 13.444 7.936 ( -1.658 -9.806 -3.142) 10.429 8.033 ( 0.675 12.232 -3.245) 12.673 8.143 ( 3.172 -0.297 0.918) 3.316 8.288 ( 0.502 -1.084 2.970) 3.201 8.453 ( -5.789 -0.918 -3.028) 6.597 8.561 ( 3.907 6.077 2.690) 7.709 8.800 ( -4.378 -2.082 10.394) 11.469 8.873 ( -3.056 -2.224 -6.351) 7.391 8.970 ( -1.124 0.794 0.996) 1.699 9.043 ( 5.020 3.352 0.817) 6.091 9.597 ( 4.451 -1.113 1.432) 4.806 9.622 ( 3.397 -0.654 0.544) 3.501 9.719 ( -9.557 0.257 7.090) 11.902 9.766 ( 1.435 -1.156 6.144) 6.415 10.125 ( -14.519 -5.907 -10.289) 18.750 10.263 ( 0.438 1.410 -9.818) 9.928 10.349 ( 5.210 -0.098 0.876) 5.284 10.544 ( 6.719 2.972 -4.315) 8.520 10.815 ( -7.545 -0.502 2.454) 7.950 10.910 ( -10.159 3.212 -0.711) 10.678 11.176 ( -2.671 1.049 -1.645) 3.308 11.315 ( 0.490 2.934 1.267) 3.234 11.398 ( -1.777 -6.168 -1.865) 6.685 11.603 ( 0.126 -5.041 4.142) 6.525 11.665 ( 8.973 0.534 -2.322) 9.284 11.849 ( 17.274 6.577 -0.411) 18.488 11.858 ( 9.072 -1.431 -0.180) 9.186 12.451 ( 1.132 -0.193 -0.167) 1.160 12.517 ( 6.362 -0.991 1.834) 6.695 12.912 ( -12.586 9.580 4.103) 16.341 13.115 ( -7.478 -8.019 -4.425) 11.824 13.179 ( -6.162 -1.201 -3.246) 7.068 13.371 ( -8.006 -0.883 1.272) 8.154 13.424 ( 4.790 -8.751 4.908) 11.118 13.628 ( 8.524 8.228 -2.792) 12.172 14.243 ( -4.773 1.230 -0.331) 4.940 14.335 ( -2.282 -0.675 -0.103) 2.382 14.528 ( -6.661 1.959 5.899) 9.110 14.718 ( 0.025 1.200 -3.072) 3.298 14.789 ( 4.496 -0.859 0.805) 4.648 14.851 ( 7.329 1.279 3.179) 8.090 14.913 ( 3.806 0.728 -0.966) 3.994 15.207 ( -2.650 -2.264 -5.665) 6.651 15.280 ( -2.225 -3.249 -0.086) 3.939 15.375 ( 0.004 3.563 2.723) 4.485 15.413 ( 4.233 -1.008 2.253) 4.900 15.600 ( 1.686 1.724 -5.608) 6.104 15.632 ( 3.794 -1.010 -4.984) 6.345 15.685 ( 4.225 -2.365 -3.826) 6.171 16.014 ( -0.352 1.816 12.924) 13.055 16.092 ( 1.387 1.086 0.174) 1.770 16.192 ( 1.739 -0.075 1.544) 2.327 16.230 ( 3.864 -1.933 4.224) 6.042 16.421 ( -1.056 2.121 -7.238) 7.616 16.705 ( 3.095 -0.958 -12.236) 12.658 16.786 ( -0.166 -0.023 5.619) 5.622 16.948 ( -0.026 -0.867 0.650) 1.084 17.085 ( -1.580 -0.816 2.242) 2.861 17.175 ( 1.248 1.979 2.408) 3.358 17.419 ( -3.960 -0.869 1.554) 4.341 17.694 ( -2.573 -0.377 -6.222) 6.744 17.773 ( 0.573 1.534 -5.077) 5.335 17.981 ( 0.611 -0.895 5.401) 5.509 18.199 ( 0.577 1.674 9.247) 9.415 18.370 ( -0.477 -1.060 0.536) 1.280 18.571 ( -2.390 -0.205 -6.294) 6.735 19.528 ( -6.458 4.643 5.018) 9.404 19.979 ( -4.790 -2.432 -3.625) 6.481 20.651 ( -3.387 0.287 -2.657) 4.315 20.837 ( -3.251 -1.641 -2.710) 4.540 21.250 ( 0.512 -4.962 7.021) 8.613 21.517 ( -8.809 -6.046 1.556) 10.797 21.797 ( 6.992 8.559 -4.573) 11.961 ======================= Grid point 33 (32/72) ======================= q-point: ( 0.09 -0.34 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -12.437 -0.000 -5.474) 13.588 2.206 ( -5.073 -0.000 0.674) 5.117 2.376 ( -23.154 -0.000 -5.722) 23.851 2.826 ( -0.663 -0.000 -0.569) 0.874 3.021 ( -2.329 -0.000 -0.171) 2.335 3.057 ( -19.885 -0.000 -3.799) 20.244 3.241 ( -0.673 0.000 4.154) 4.208 3.335 ( -1.614 -0.000 0.043) 1.614 3.500 ( 10.122 -0.000 -5.662) 11.598 3.512 ( -8.558 -0.000 2.616) 8.949 4.359 ( 18.024 0.000 7.066) 19.360 4.426 ( -31.090 -0.000 -14.974) 34.509 4.743 ( 5.460 0.000 7.750) 9.480 4.769 ( 9.089 -0.000 -6.436) 11.137 4.932 ( 3.565 -0.000 -1.759) 3.975 5.453 ( 1.267 0.000 7.196) 7.307 6.033 ( 2.705 0.000 -0.804) 2.821 6.567 ( -3.686 -0.000 -6.842) 7.772 6.738 ( -7.357 -0.000 -2.202) 7.679 7.002 ( 3.344 0.000 5.702) 6.610 7.020 ( 3.379 0.000 2.423) 4.158 7.210 ( -1.201 0.000 4.912) 5.057 7.212 ( 5.756 0.000 0.740) 5.804 7.288 ( 10.996 0.000 2.919) 11.377 7.456 ( 2.134 -0.000 -3.858) 4.409 7.629 ( 5.749 0.000 5.935) 8.263 7.686 ( -7.190 0.000 4.423) 8.441 8.253 ( -6.908 -0.000 -6.897) 9.762 8.354 ( 0.155 -0.000 -13.383) 13.384 8.479 ( -2.175 0.000 1.199) 2.484 8.514 ( 1.601 0.000 0.226) 1.617 8.827 ( -3.282 -0.000 -11.918) 12.362 8.854 ( -2.852 -0.000 -2.070) 3.524 9.001 ( -1.036 0.000 7.532) 7.603 9.253 ( -2.482 -0.000 0.138) 2.486 9.340 ( 3.493 -0.000 -5.091) 6.174 9.604 ( -9.739 -0.000 0.618) 9.759 9.658 ( 0.840 0.000 8.590) 8.631 9.792 ( 1.071 0.000 5.538) 5.640 9.952 ( 10.345 0.000 4.315) 11.209 10.030 ( -10.085 -0.000 -0.823) 10.118 10.232 ( 9.145 0.000 -0.448) 9.156 10.317 ( 3.054 -0.000 -2.224) 3.778 10.462 ( -0.870 -0.000 -2.023) 2.202 10.470 ( -5.943 -0.000 -3.379) 6.837 10.712 ( 3.105 0.000 0.998) 3.261 10.744 ( -21.083 -0.000 -0.845) 21.100 11.003 ( -0.880 -0.000 -4.210) 4.301 11.344 ( 4.608 0.000 8.039) 9.266 11.451 ( 4.699 0.000 0.056) 4.699 11.638 ( 22.162 0.000 4.534) 22.621 12.019 ( -0.738 0.000 2.625) 2.726 12.257 ( -8.870 -0.000 -4.988) 10.177 12.257 ( -4.782 -0.000 -0.170) 4.785 12.523 ( 1.236 -0.000 -3.184) 3.415 12.575 ( 9.416 0.000 -1.183) 9.490 13.003 ( 6.135 0.000 4.559) 7.644 13.246 ( 2.838 0.000 0.639) 2.909 13.408 ( -4.364 0.000 2.207) 4.890 13.727 ( -14.015 -0.000 4.662) 14.770 13.967 ( -2.661 -0.000 -0.518) 2.711 13.984 ( 5.504 -0.000 -8.578) 10.192 14.267 ( 0.284 0.000 1.726) 1.750 14.563 ( 1.732 -0.000 -4.132) 4.480 14.635 ( -0.707 0.000 0.861) 1.114 14.759 ( -8.315 -0.000 -5.115) 9.762 14.806 ( 0.989 -0.000 -8.101) 8.161 14.965 ( -2.410 0.000 4.804) 5.375 15.187 ( -2.343 0.000 10.057) 10.326 15.229 ( -3.087 -0.000 -2.537) 3.996 15.399 ( 0.954 0.000 0.309) 1.003 15.498 ( 4.394 0.000 0.624) 4.438 15.591 ( 8.773 0.000 3.505) 9.447 15.713 ( 2.995 -0.000 -2.532) 3.922 15.778 ( 4.248 0.000 4.175) 5.956 15.876 ( 2.057 -0.000 -2.504) 3.241 16.064 ( -3.065 -0.000 0.594) 3.122 16.208 ( -1.697 -0.000 -3.331) 3.738 16.474 ( 2.237 0.000 -0.202) 2.246 16.479 ( 3.910 0.000 7.057) 8.067 16.789 ( 6.180 0.000 8.473) 10.487 16.930 ( -2.568 -0.000 -10.625) 10.931 17.009 ( -2.060 -0.000 -1.839) 2.761 17.180 ( -0.128 -0.000 -2.525) 2.528 17.262 ( 1.038 0.000 1.657) 1.955 17.277 ( 2.416 0.000 1.365) 2.775 17.341 ( -1.880 -0.000 -2.741) 3.323 17.764 ( 9.790 0.000 6.066) 11.517 18.033 ( -9.284 -0.000 -0.565) 9.302 18.160 ( -4.742 -0.000 -2.514) 5.367 18.232 ( 1.733 -0.000 -4.671) 4.982 18.574 ( -0.699 0.000 0.713) 0.998 18.599 ( -6.809 -0.000 -1.967) 7.087 19.660 ( -3.356 -0.000 -5.798) 6.700 20.266 ( -0.826 0.000 21.038) 21.054 21.183 ( -4.422 -0.000 -14.768) 15.416 21.662 ( 6.301 0.000 5.625) 8.447 21.854 ( 4.809 0.000 1.203) 4.957 22.549 ( -6.326 -0.000 2.276) 6.723 ======================= Grid point 34 (33/72) ======================= q-point: (-0.24 0.24 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 6.978 -30.212 -0.000) 31.007 1.673 ( 16.825 -27.454 -0.000) 32.199 2.232 ( 0.347 -12.840 -0.000) 12.845 2.332 ( 4.148 -8.978 -0.000) 9.890 2.783 ( 4.999 -8.916 -0.000) 10.222 2.875 ( 2.929 1.428 -0.000) 3.259 3.094 ( 14.895 -7.313 -0.000) 16.594 3.331 ( -0.449 -0.462 -0.000) 0.645 3.641 ( -2.736 -7.370 -0.000) 7.861 3.817 ( 12.123 -18.322 -0.000) 21.969 4.072 ( 11.292 -0.914 -0.000) 11.328 4.262 ( -12.182 25.737 0.000) 28.474 4.542 ( -1.373 -13.941 -0.000) 14.009 5.269 ( -7.400 0.748 0.000) 7.438 5.322 ( -2.034 1.661 0.000) 2.626 5.418 ( -6.055 -5.748 -0.000) 8.349 5.997 ( 0.495 16.610 0.000) 16.618 6.207 ( 15.410 11.173 0.000) 19.034 6.703 ( -1.972 -2.134 -0.000) 2.906 6.815 ( -3.975 4.199 0.000) 5.782 7.189 ( 4.066 1.482 -0.000) 4.328 7.248 ( -6.287 -5.606 -0.000) 8.423 7.379 ( -8.505 3.817 0.000) 9.323 7.627 ( 5.453 10.266 0.000) 11.624 7.680 ( 0.160 -10.140 -0.000) 10.141 7.848 ( -6.689 9.087 0.000) 11.284 7.998 ( -3.563 -2.769 -0.000) 4.513 8.065 ( -3.758 0.974 0.000) 3.882 8.107 ( 5.253 5.930 0.000) 7.922 8.295 ( -3.622 10.988 0.000) 11.569 8.435 ( -6.087 -7.126 -0.000) 9.371 8.469 ( 9.923 2.245 -0.000) 10.173 8.487 ( -2.144 9.027 0.000) 9.278 8.798 ( 6.747 2.945 -0.000) 7.362 8.930 ( -4.384 -9.066 -0.000) 10.071 9.053 ( 4.022 -3.146 -0.000) 5.106 9.401 ( -2.955 6.760 0.000) 7.377 9.588 ( 7.534 6.330 0.000) 9.840 9.624 ( 6.794 -0.610 -0.000) 6.821 9.955 ( -7.641 4.240 0.000) 8.739 9.985 ( 14.852 2.372 -0.000) 15.040 9.998 ( 7.619 -12.564 -0.000) 14.694 10.276 ( 1.599 9.526 0.000) 9.659 10.586 ( 0.252 -4.108 -0.000) 4.115 10.696 ( -13.002 2.694 0.000) 13.278 10.900 ( 1.185 -14.310 -0.000) 14.359 10.951 ( -6.631 0.387 0.000) 6.642 11.243 ( 7.146 3.042 -0.000) 7.766 11.383 ( 0.400 -15.838 -0.000) 15.843 11.663 ( -5.376 -5.781 -0.000) 7.894 11.922 ( 3.518 -0.770 -0.000) 3.602 12.150 ( 4.397 -3.735 -0.000) 5.769 12.197 ( -9.137 0.839 0.000) 9.176 12.461 ( 6.741 1.042 -0.000) 6.821 12.667 ( -14.010 -3.839 0.000) 14.527 12.859 ( 14.646 6.458 -0.000) 16.007 13.077 ( -12.772 -2.245 0.000) 12.968 13.078 ( -6.681 3.083 0.000) 7.358 13.235 ( 1.635 5.988 0.000) 6.207 13.556 ( -2.136 -0.963 0.000) 2.343 13.734 ( 3.072 10.312 0.000) 10.760 14.000 ( 0.030 -3.851 -0.000) 3.851 14.220 ( 4.968 -0.134 -0.000) 4.970 14.281 ( -1.329 2.899 0.000) 3.189 14.533 ( 4.444 -3.642 -0.000) 5.745 14.815 ( 4.864 -3.411 -0.000) 5.941 14.999 ( 3.850 2.076 -0.000) 4.374 15.051 ( -8.272 -0.964 0.000) 8.328 15.357 ( -2.754 -1.739 -0.000) 3.257 15.389 ( -0.336 -0.013 0.000) 0.337 15.408 ( -0.597 -3.692 -0.000) 3.739 15.526 ( 4.625 -1.471 -0.000) 4.853 15.593 ( -6.431 5.512 0.000) 8.470 15.696 ( -2.359 0.823 0.000) 2.498 16.091 ( -4.865 -0.982 0.000) 4.963 16.099 ( 0.606 -1.138 -0.000) 1.289 16.216 ( -8.559 -2.680 0.000) 8.968 16.287 ( 1.001 -4.875 -0.000) 4.977 16.440 ( -4.166 1.694 0.000) 4.497 16.521 ( -2.622 8.944 0.000) 9.320 16.529 ( -2.757 -3.903 -0.000) 4.779 16.802 ( 9.233 4.660 -0.000) 10.343 16.984 ( -1.435 -0.613 0.000) 1.560 17.203 ( -3.226 -1.604 0.000) 3.603 17.207 ( 0.433 2.000 0.000) 2.047 17.358 ( 8.602 -6.982 -0.000) 11.079 17.482 ( -12.539 2.673 0.000) 12.821 17.807 ( -1.756 6.334 0.000) 6.573 18.033 ( 0.802 -9.339 -0.000) 9.374 18.101 ( -6.372 3.817 0.000) 7.428 18.377 ( 3.206 -5.471 -0.000) 6.341 18.513 ( 16.639 -14.896 -0.000) 22.332 18.546 ( -1.115 2.751 0.000) 2.969 19.468 ( 21.263 -2.696 -0.000) 21.433 20.402 ( 8.325 -1.806 -0.000) 8.519 20.676 ( 5.607 2.932 -0.000) 6.327 21.427 ( 7.176 17.763 0.000) 19.158 21.577 ( -1.534 16.444 0.000) 16.516 21.890 ( -2.263 -7.877 -0.000) 8.196 ======================= Grid point 35 (34/72) ======================= q-point: ( 0.26 0.24 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 8.661 13.850 23.445) 28.574 1.861 ( 9.538 7.893 25.931) 28.735 2.003 ( 5.443 9.556 12.447) 16.610 2.438 ( 11.988 0.502 0.728) 12.021 2.709 ( 3.137 2.855 5.096) 6.631 2.916 ( -0.522 1.658 12.443) 12.564 3.247 ( -0.341 -2.088 -7.194) 7.498 3.296 ( 15.352 3.851 16.082) 22.564 3.494 ( -6.294 5.400 -2.512) 8.665 3.887 ( 13.269 3.668 2.006) 13.912 4.074 ( -1.869 9.206 4.428) 10.385 4.360 ( -4.704 0.513 6.065) 7.692 4.654 ( -0.315 -7.362 -7.267) 10.349 5.009 ( -4.574 1.433 -6.671) 8.214 5.214 ( -2.015 -5.346 -4.398) 7.210 5.405 ( -1.618 2.092 2.792) 3.846 6.244 ( -1.957 5.522 -4.442) 7.352 6.574 ( -1.957 0.064 -3.561) 4.064 6.695 ( -4.171 -9.544 6.823) 12.452 6.811 ( 5.305 -10.497 -3.034) 12.146 6.904 ( 4.095 -5.946 -13.316) 15.148 7.139 ( -4.341 6.492 -8.290) 11.389 7.312 ( -2.166 1.470 -2.435) 3.575 7.434 ( -2.444 3.181 -3.829) 5.546 7.539 ( -3.311 -0.983 -4.343) 5.549 7.685 ( -6.426 6.108 -0.730) 8.896 7.892 ( 0.189 9.502 -0.316) 9.509 8.170 ( 6.513 -4.927 0.004) 8.167 8.218 ( -1.296 -4.715 2.440) 5.464 8.481 ( 5.305 -3.925 -0.465) 6.615 8.503 ( 1.595 -0.857 -0.145) 1.817 8.559 ( 4.360 -2.324 0.385) 4.956 8.735 ( 1.485 -5.496 -3.677) 6.778 8.885 ( 9.945 -9.681 2.874) 14.174 9.100 ( -2.641 -11.690 10.910) 16.207 9.226 ( 2.413 -5.833 4.814) 7.939 9.344 ( -3.650 -0.087 -2.005) 4.165 9.546 ( 10.869 -3.825 -5.706) 12.858 9.656 ( 2.886 0.402 -5.629) 6.339 10.011 ( 5.568 -0.026 -5.265) 7.663 10.023 ( -1.466 -4.670 3.070) 5.777 10.206 ( 3.278 8.612 -4.349) 10.190 10.272 ( -9.780 7.644 7.699) 14.606 10.439 ( -4.766 -0.778 -0.570) 4.863 10.562 ( -3.383 -4.264 -0.442) 5.461 10.671 ( -1.149 7.043 0.143) 7.138 11.073 ( -2.513 6.900 -2.463) 7.745 11.296 ( -12.712 0.875 3.582) 13.236 11.501 ( -3.155 4.901 5.832) 8.246 11.606 ( -8.218 3.216 9.427) 12.913 11.863 ( 0.358 -0.857 -3.411) 3.536 12.082 ( 7.187 0.609 4.282) 8.388 12.160 ( 4.298 3.110 0.613) 5.341 12.365 ( 3.379 1.380 -3.340) 4.948 12.608 ( -3.068 1.278 -0.403) 3.348 12.719 ( 3.265 -1.580 -3.078) 4.758 12.916 ( 10.164 -1.553 -10.126) 14.431 13.208 ( -9.272 0.143 -0.331) 9.279 13.263 ( -4.414 2.799 -0.723) 5.276 13.412 ( -14.543 -1.979 -6.949) 16.239 13.955 ( 10.156 -8.271 2.374) 13.312 14.056 ( -0.245 0.113 5.806) 5.812 14.218 ( 1.766 0.533 0.884) 2.046 14.463 ( 7.158 -2.790 3.924) 8.626 14.755 ( 0.303 0.002 2.546) 2.564 14.829 ( -5.134 -2.040 4.948) 7.416 14.992 ( -0.946 -0.235 1.408) 1.712 15.059 ( -11.326 3.772 -2.538) 12.204 15.177 ( -1.957 2.646 3.548) 4.840 15.271 ( -0.876 2.329 -1.337) 2.825 15.403 ( 5.454 -2.644 -1.779) 6.317 15.478 ( 1.313 3.032 2.218) 3.980 15.638 ( -3.139 0.820 -0.641) 3.307 15.828 ( 2.766 -11.635 -3.003) 12.330 15.916 ( -4.857 -5.529 -8.710) 11.403 16.003 ( -0.977 4.420 2.095) 4.988 16.132 ( 2.775 -2.252 -3.605) 5.076 16.199 ( 2.673 4.309 -1.034) 5.175 16.428 ( -13.610 0.937 0.015) 13.642 16.684 ( -1.481 1.597 -0.267) 2.194 16.798 ( 1.184 -6.852 1.451) 7.103 16.857 ( -1.345 1.162 4.819) 5.137 16.928 ( 0.374 5.874 -2.522) 6.404 17.068 ( 1.805 4.362 -3.664) 5.976 17.175 ( 1.452 2.806 -4.175) 5.236 17.368 ( 2.844 -3.288 2.660) 5.096 17.619 ( -13.977 -1.979 -5.092) 15.006 17.784 ( 2.668 -1.640 4.225) 5.259 17.917 ( 3.518 -9.500 4.610) 11.130 18.202 ( 0.326 4.011 2.325) 4.648 18.397 ( -2.782 -0.591 2.733) 3.945 18.515 ( -8.224 0.295 4.751) 9.503 18.846 ( 4.373 11.318 9.579) 15.458 19.506 ( 14.957 12.375 7.652) 20.866 19.692 ( 10.785 1.981 -12.249) 16.440 20.814 ( 12.824 0.172 -2.671) 13.100 21.000 ( 18.494 0.178 -13.174) 22.707 21.378 ( 2.911 -4.139 -13.575) 14.488 22.568 ( -3.652 -13.748 13.832) 19.841 ======================= Grid point 37 (35/72) ======================= q-point: ( 0.43 -0.18 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -16.171 13.262 13.931) 25.129 2.100 ( -18.749 11.947 4.175) 22.621 2.250 ( -2.386 10.515 0.109) 10.782 2.584 ( -4.825 0.542 7.637) 9.049 2.774 ( -1.209 1.729 1.678) 2.696 2.901 ( -6.653 -0.681 -5.117) 8.421 3.274 ( -3.237 1.697 -0.352) 3.672 3.301 ( 1.137 -0.202 -3.089) 3.298 3.656 ( 4.582 1.244 1.100) 4.874 3.983 ( 3.242 -4.050 0.397) 5.203 4.276 ( -2.881 -1.396 1.430) 3.506 4.446 ( -16.352 14.362 0.622) 21.773 4.499 ( -5.112 17.614 8.664) 20.284 4.999 ( 10.678 0.999 -3.862) 11.398 5.285 ( 0.527 1.338 -3.494) 3.778 5.321 ( 2.728 -5.096 2.611) 6.342 6.077 ( 2.296 -11.816 7.182) 14.016 6.421 ( -7.284 -0.307 -6.856) 10.007 6.632 ( -3.335 -6.009 -2.748) 7.401 6.772 ( 2.262 -2.124 1.121) 3.299 7.075 ( 3.729 -4.872 -5.596) 8.304 7.162 ( 5.436 4.502 3.352) 7.814 7.311 ( -0.591 -2.615 -2.552) 3.702 7.588 ( 4.374 1.288 -4.883) 6.681 7.656 ( 8.829 -6.111 1.228) 10.807 7.726 ( 2.560 10.858 -7.778) 13.600 7.834 ( -5.797 -4.257 3.432) 7.969 8.145 ( 4.325 4.592 5.046) 8.078 8.173 ( 0.606 -7.119 -3.505) 7.959 8.281 ( -5.381 -5.237 4.520) 8.765 8.380 ( -2.038 -1.139 1.975) 3.058 8.488 ( -4.157 -7.093 1.104) 8.295 8.719 ( -8.387 -0.252 4.178) 9.373 8.896 ( -6.844 -3.784 1.650) 7.993 8.970 ( 0.983 4.238 1.623) 4.643 9.029 ( 3.545 -3.191 -0.766) 4.831 9.506 ( -8.676 -0.844 -1.802) 8.901 9.665 ( 0.343 0.553 -0.044) 0.652 9.750 ( 2.892 -0.538 -2.697) 3.991 9.851 ( -0.237 -5.570 11.747) 13.003 10.068 ( -4.149 -3.311 -9.582) 10.954 10.274 ( 1.460 -1.234 -1.308) 2.316 10.364 ( -10.073 3.059 -1.616) 10.651 10.423 ( -8.620 -1.633 1.748) 8.945 10.611 ( 6.884 5.610 -3.510) 9.549 10.802 ( 0.368 1.562 2.585) 3.042 11.003 ( 2.585 11.859 4.147) 12.827 11.328 ( 3.242 1.050 1.391) 3.681 11.422 ( -5.229 4.959 -3.264) 7.912 11.551 ( 4.536 4.359 0.637) 6.323 11.874 ( 4.455 -2.817 -4.385) 6.856 12.035 ( 7.753 -0.153 0.553) 7.774 12.244 ( 14.087 1.462 2.116) 14.320 12.406 ( -5.550 5.914 0.201) 8.113 12.546 ( 3.116 0.649 0.996) 3.335 12.783 ( 13.919 -0.575 -0.118) 13.931 12.966 ( -10.459 -5.264 -1.329) 11.784 13.153 ( -10.824 -5.615 -3.307) 12.635 13.256 ( -1.818 -2.459 -0.237) 3.068 13.511 ( 0.859 8.656 -4.315) 9.710 13.777 ( 2.272 -11.303 3.445) 12.033 14.070 ( -5.776 2.721 1.782) 6.629 14.300 ( -0.255 0.911 0.662) 1.155 14.367 ( -8.573 -2.401 4.139) 9.818 14.651 ( -2.795 0.946 2.543) 3.896 14.873 ( 0.305 3.885 -0.155) 3.900 14.929 ( 4.967 2.262 1.505) 5.662 14.973 ( 6.143 -0.516 -1.274) 6.295 15.203 ( 4.881 5.645 -5.108) 9.043 15.329 ( -0.055 -0.220 -0.227) 0.321 15.384 ( 0.677 -4.581 -0.118) 4.633 15.577 ( 4.607 -3.412 2.745) 6.356 15.616 ( -0.843 0.058 -1.339) 1.584 15.666 ( -2.953 -1.580 -1.297) 3.591 15.873 ( 8.182 -1.065 -8.697) 11.988 15.986 ( 9.799 2.726 4.404) 11.084 16.082 ( 2.959 3.005 2.439) 4.872 16.286 ( -0.216 5.148 -3.196) 6.063 16.323 ( 5.458 -4.229 0.247) 6.909 16.485 ( 6.650 -7.149 3.619) 10.413 16.612 ( -5.541 2.637 1.895) 6.422 16.914 ( 1.782 -0.492 -4.589) 4.948 16.976 ( 1.462 1.390 -0.988) 2.246 17.127 ( 3.444 -5.198 2.054) 6.565 17.181 ( 0.482 -1.078 1.598) 1.987 17.325 ( -3.514 -0.169 -0.587) 3.567 17.558 ( -5.187 4.222 3.066) 7.357 17.799 ( -3.120 -5.123 -2.726) 6.589 17.993 ( 1.695 8.782 2.342) 9.246 18.135 ( 2.838 -0.017 6.077) 6.707 18.400 ( -0.381 -1.051 0.659) 1.297 18.442 ( -6.069 3.012 -9.451) 11.629 19.031 ( -12.546 13.378 11.764) 21.789 19.813 ( -11.290 3.998 0.591) 11.992 20.358 ( -6.699 8.577 -14.033) 17.758 20.916 ( -8.386 -6.890 4.536) 11.763 21.452 ( -7.109 -11.485 -7.274) 15.341 21.561 ( -1.508 -5.921 -4.307) 7.476 21.901 ( 2.127 -12.037 6.428) 13.810 ======================= Grid point 38 (36/72) ======================= q-point: ( 0.11 0.39 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 3.572 0.000 16.608) 16.988 2.109 ( 21.225 0.000 18.483) 28.145 2.135 ( 8.319 0.000 7.788) 11.395 2.748 ( 14.677 0.000 3.263) 15.036 2.824 ( 14.801 0.000 6.278) 16.078 2.931 ( 0.866 0.000 1.858) 2.050 3.248 ( -7.277 -0.000 -2.235) 7.613 3.308 ( 0.524 -0.000 -0.966) 1.099 3.494 ( 3.197 0.000 7.587) 8.233 3.802 ( -7.240 0.000 4.327) 8.434 4.159 ( 15.116 0.000 12.528) 19.632 4.432 ( 7.170 -0.000 -9.349) 11.782 4.657 ( -3.347 0.000 2.772) 4.346 4.931 ( -7.791 -0.000 -5.993) 9.829 5.176 ( -10.327 -0.000 2.368) 10.595 5.321 ( 0.812 -0.000 -5.103) 5.167 6.058 ( -2.098 -0.000 -4.390) 4.865 6.652 ( 3.825 0.000 6.509) 7.549 6.771 ( 0.839 0.000 7.908) 7.952 6.921 ( -2.771 -0.000 -8.703) 9.133 6.942 ( -2.597 -0.000 -5.631) 6.201 7.071 ( 5.141 -0.000 -12.895) 13.882 7.297 ( -5.620 -0.000 -1.556) 5.832 7.342 ( -10.196 -0.000 -0.037) 10.196 7.445 ( 2.832 -0.000 -3.642) 4.613 7.556 ( -1.290 -0.000 -9.519) 9.606 7.706 ( -0.749 0.000 9.151) 9.181 8.266 ( 3.193 0.000 5.319) 6.204 8.432 ( 4.302 -0.000 -4.640) 6.328 8.483 ( 0.956 0.000 -0.086) 0.960 8.543 ( 0.522 0.000 4.285) 4.317 8.743 ( 8.500 0.000 -2.106) 8.757 8.892 ( 7.464 0.000 -0.227) 7.468 9.052 ( -5.036 0.000 6.327) 8.086 9.265 ( -0.541 0.000 4.443) 4.476 9.369 ( 6.468 0.000 5.048) 8.205 9.462 ( -3.952 -0.000 -7.709) 8.663 9.626 ( 6.195 -0.000 -3.609) 7.170 9.669 ( -4.391 0.000 6.983) 8.249 9.919 ( -4.215 -0.000 -4.634) 6.264 10.023 ( 0.754 0.000 -0.147) 0.768 10.229 ( 21.474 0.000 3.067) 21.692 10.353 ( 9.166 0.000 -2.214) 9.430 10.399 ( -4.727 -0.000 -0.905) 4.813 10.473 ( -4.361 -0.000 -9.903) 10.820 10.675 ( -6.018 -0.000 -0.474) 6.037 10.677 ( -4.787 0.000 6.686) 8.223 11.133 ( -3.088 -0.000 -2.547) 4.003 11.297 ( -14.252 0.000 9.034) 16.874 11.473 ( 1.006 0.000 3.057) 3.219 11.812 ( -8.023 -0.000 -6.347) 10.230 12.184 ( 2.547 0.000 2.444) 3.529 12.221 ( 4.690 0.000 4.853) 6.749 12.297 ( -14.261 -0.000 1.662) 14.358 12.505 ( 8.085 0.000 -1.013) 8.148 12.913 ( -12.986 -0.000 3.040) 13.337 13.032 ( -12.885 -0.000 -8.111) 15.225 13.097 ( 14.215 0.000 -2.635) 14.458 13.225 ( -1.935 -0.000 -4.761) 5.139 13.236 ( 18.092 0.000 -7.763) 19.687 14.008 ( -1.788 0.000 4.594) 4.929 14.233 ( 4.686 0.000 4.953) 6.818 14.236 ( 0.798 0.000 -0.271) 0.843 14.678 ( -6.690 0.000 5.297) 8.533 14.722 ( 7.838 0.000 4.243) 8.913 14.758 ( 1.587 0.000 1.430) 2.136 14.777 ( -5.756 -0.000 -2.380) 6.229 14.969 ( 0.028 0.000 0.396) 0.397 15.109 ( -4.501 0.000 6.574) 7.968 15.343 ( 5.713 0.000 0.882) 5.780 15.367 ( -4.603 0.000 3.989) 6.091 15.548 ( 0.879 -0.000 -5.633) 5.701 15.572 ( -5.150 -0.000 -3.071) 5.996 15.795 ( -7.595 -0.000 -5.346) 9.288 15.821 ( -4.729 -0.000 1.187) 4.876 16.027 ( 3.011 0.000 2.404) 3.853 16.114 ( -13.920 -0.000 2.014) 14.065 16.207 ( 2.732 0.000 1.116) 2.951 16.421 ( 3.433 -0.000 -4.889) 5.974 16.491 ( -3.388 -0.000 -2.932) 4.481 16.749 ( -6.834 -0.000 -7.766) 10.345 16.956 ( 4.720 0.000 2.526) 5.354 17.004 ( 2.965 0.000 6.014) 6.705 17.083 ( 8.531 -0.000 -6.521) 10.738 17.169 ( 1.837 -0.000 -4.922) 5.253 17.369 ( -10.308 -0.000 -1.376) 10.400 17.428 ( -1.394 0.000 2.787) 3.116 17.844 ( -7.095 -0.000 -3.051) 7.724 17.957 ( -1.536 0.000 5.373) 5.588 18.142 ( 4.642 0.000 4.975) 6.804 18.341 ( -1.173 0.000 2.374) 2.648 18.529 ( 2.134 0.000 -0.923) 2.326 18.668 ( -0.234 0.000 8.831) 8.834 19.633 ( 13.052 0.000 2.955) 13.383 19.879 ( 5.511 -0.000 -5.344) 7.677 21.130 ( 15.445 0.000 1.048) 15.481 21.468 ( 15.619 -0.000 -11.213) 19.227 21.504 ( 8.775 -0.000 -17.416) 19.502 22.642 ( -4.735 0.000 10.422) 11.447 ======================= Grid point 39 (37/72) ======================= q-point: (-0.39 0.39 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 4.645 -19.707 -0.000) 20.247 2.323 ( 2.638 -0.203 -0.000) 2.646 2.349 ( 5.705 -12.168 -0.000) 13.439 2.484 ( 2.796 -1.687 -0.000) 3.265 2.756 ( -2.625 2.228 0.000) 3.443 2.930 ( 3.883 0.746 -0.000) 3.954 3.330 ( -4.655 -4.085 -0.000) 6.193 3.409 ( -2.058 1.771 0.000) 2.715 3.570 ( -0.774 6.719 0.000) 6.763 3.975 ( 13.306 -4.207 -0.000) 13.955 4.158 ( 5.856 -7.123 -0.000) 9.221 4.690 ( 12.318 16.182 0.000) 20.337 4.947 ( -8.258 9.366 0.000) 12.487 4.989 ( 21.902 -24.074 -0.000) 32.546 5.079 ( -19.555 -4.510 0.000) 20.069 5.283 ( -6.020 5.124 0.000) 7.906 5.944 ( -1.576 -6.766 -0.000) 6.947 6.507 ( 14.907 -0.529 -0.000) 14.916 6.516 ( 6.107 12.593 0.000) 13.995 6.671 ( -4.545 -3.033 -0.000) 5.464 7.122 ( -12.483 10.704 0.000) 16.444 7.209 ( -1.852 -3.723 -0.000) 4.158 7.257 ( 0.632 0.127 -0.000) 0.645 7.358 ( -1.609 0.266 0.000) 1.631 7.483 ( 0.453 9.457 0.000) 9.468 7.856 ( -4.369 -6.253 -0.000) 7.628 7.890 ( 2.678 16.251 0.000) 16.470 8.098 ( 1.859 -12.642 -0.000) 12.778 8.199 ( 1.429 1.252 0.000) 1.900 8.230 ( -4.485 -2.278 0.000) 5.030 8.411 ( 5.609 -1.332 -0.000) 5.765 8.585 ( -3.472 -11.570 -0.000) 12.079 8.586 ( 8.422 3.829 -0.000) 9.251 8.868 ( 6.796 2.779 -0.000) 7.342 9.020 ( 1.121 -1.524 -0.000) 1.892 9.021 ( -5.696 -1.664 0.000) 5.934 9.437 ( 7.728 -1.747 -0.000) 7.923 9.589 ( 5.011 5.132 0.000) 7.172 9.688 ( -0.375 1.490 0.000) 1.537 9.846 ( -10.389 -5.107 0.000) 11.576 10.021 ( 3.685 11.302 0.000) 11.888 10.206 ( 9.798 0.014 -0.000) 9.798 10.396 ( 8.892 -0.609 -0.000) 8.912 10.542 ( 1.914 0.791 -0.000) 2.072 10.662 ( 2.542 -8.233 -0.000) 8.616 10.806 ( -3.325 2.865 0.000) 4.389 11.186 ( 2.619 -6.078 -0.000) 6.618 11.255 ( 3.767 5.003 0.000) 6.263 11.524 ( -5.188 -2.807 0.000) 5.899 11.602 ( -9.369 -0.476 0.000) 9.381 11.818 ( -3.183 5.913 0.000) 6.715 12.074 ( -11.691 -2.186 0.000) 11.894 12.312 ( -17.018 -5.150 0.000) 17.780 12.518 ( -4.489 1.367 0.000) 4.693 12.543 ( 6.952 -6.515 -0.000) 9.528 12.796 ( -14.196 -0.888 0.000) 14.224 12.861 ( 12.938 6.539 -0.000) 14.497 13.070 ( 18.685 5.613 -0.000) 19.510 13.163 ( 0.887 3.848 0.000) 3.949 13.487 ( -3.935 11.066 0.000) 11.745 13.753 ( 0.840 -10.056 -0.000) 10.091 14.130 ( 3.911 -4.591 -0.000) 6.031 14.263 ( 2.976 0.777 -0.000) 3.076 14.355 ( 4.229 -4.898 -0.000) 6.471 14.730 ( 4.658 -3.841 -0.000) 6.037 14.904 ( -7.544 -0.302 0.000) 7.550 14.929 ( -3.868 2.418 0.000) 4.562 15.008 ( 3.767 -4.674 -0.000) 6.003 15.267 ( -8.395 8.145 0.000) 11.697 15.279 ( -3.363 4.863 0.000) 5.912 15.360 ( -1.659 -3.158 -0.000) 3.567 15.425 ( 0.597 1.829 0.000) 1.924 15.689 ( 3.706 -4.185 -0.000) 5.590 15.690 ( 0.986 0.085 -0.000) 0.990 15.951 ( -6.624 8.354 0.000) 10.661 15.983 ( -16.853 -2.415 0.000) 17.025 16.127 ( -3.266 -3.764 -0.000) 4.984 16.164 ( 1.194 2.978 0.000) 3.208 16.340 ( -9.183 -1.969 0.000) 9.392 16.563 ( 1.388 -3.881 -0.000) 4.122 16.588 ( 0.269 -2.573 -0.000) 2.587 16.854 ( 2.433 1.107 -0.000) 2.673 17.003 ( 1.881 0.635 -0.000) 1.985 17.067 ( -10.467 3.927 0.000) 11.179 17.198 ( -2.012 -3.288 -0.000) 3.855 17.286 ( 5.695 2.162 -0.000) 6.092 17.647 ( 10.172 -0.292 -0.000) 10.176 17.784 ( 5.137 1.636 -0.000) 5.391 17.943 ( -7.089 -2.717 0.000) 7.592 18.184 ( -3.086 -6.652 -0.000) 7.333 18.353 ( -0.874 7.578 0.000) 7.628 18.576 ( 3.925 -1.207 -0.000) 4.107 19.223 ( 16.580 -14.421 -0.000) 21.974 19.833 ( 13.381 3.795 -0.000) 13.908 20.572 ( 8.187 2.431 -0.000) 8.541 20.745 ( 8.913 2.876 -0.000) 9.366 21.181 ( -1.708 12.731 0.000) 12.845 21.275 ( 12.247 12.621 0.000) 17.586 22.023 ( -8.826 -15.472 -0.000) 17.812 ======================= Grid point 42 (38/72) ======================= q-point: ( 0.45 -0.45 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.481 8.842 0.000) 8.855 2.469 ( -7.854 0.526 0.000) 7.872 2.500 ( -4.204 -2.834 -0.000) 5.070 2.687 ( 5.961 -4.711 -0.000) 7.598 2.752 ( -4.020 -10.909 -0.000) 11.626 2.958 ( 2.686 0.571 -0.000) 2.746 3.293 ( -8.709 -5.976 -0.000) 10.562 3.429 ( 9.002 -9.844 -0.000) 13.339 3.722 ( -4.738 -5.889 -0.000) 7.558 3.918 ( -5.108 17.910 0.000) 18.624 4.213 ( 5.612 31.235 0.000) 31.735 4.360 ( 4.038 7.327 0.000) 8.366 4.653 ( -5.377 -1.736 0.000) 5.651 4.928 ( 12.184 6.122 -0.000) 13.635 5.248 ( -2.346 -8.511 -0.000) 8.829 5.555 ( -6.375 -5.088 -0.000) 8.156 6.060 ( -4.718 -6.248 -0.000) 7.829 6.547 ( -1.167 -2.516 -0.000) 2.774 6.614 ( 9.120 -2.271 -0.000) 9.399 6.732 ( -0.252 1.274 0.000) 1.298 6.890 ( 7.405 0.423 -0.000) 7.417 7.063 ( -7.271 5.083 0.000) 8.871 7.402 ( 1.756 2.660 0.000) 3.188 7.443 ( 7.293 -6.220 -0.000) 9.585 7.458 ( 4.810 0.314 -0.000) 4.820 7.730 ( 6.530 6.585 0.000) 9.274 7.821 ( -5.337 0.759 0.000) 5.391 8.029 ( -5.676 -1.710 0.000) 5.928 8.224 ( -0.706 -1.249 -0.000) 1.435 8.410 ( -3.582 1.043 0.000) 3.731 8.460 ( -3.695 -13.697 -0.000) 14.187 8.659 ( 2.580 2.609 0.000) 3.669 8.735 ( -6.196 -11.773 -0.000) 13.304 8.879 ( 5.138 2.220 -0.000) 5.597 9.024 ( -0.295 0.480 0.000) 0.563 9.220 ( -3.470 -16.529 -0.000) 16.889 9.473 ( 0.462 1.855 0.000) 1.911 9.591 ( -1.139 2.608 0.000) 2.846 9.640 ( 6.725 -1.065 -0.000) 6.809 9.785 ( -5.734 -3.531 -0.000) 6.733 10.040 ( 18.906 12.187 0.000) 22.493 10.318 ( -0.530 -0.933 -0.000) 1.073 10.409 ( 0.271 -0.847 -0.000) 0.890 10.630 ( -2.290 0.825 0.000) 2.434 10.765 ( 7.361 1.289 -0.000) 7.473 10.991 ( 5.788 -0.945 -0.000) 5.865 11.165 ( 10.020 14.021 0.000) 17.233 11.222 ( -3.027 -1.918 -0.000) 3.583 11.335 ( 0.445 10.179 0.000) 10.189 11.357 ( -13.858 2.754 0.000) 14.128 11.635 ( -3.061 5.431 0.000) 6.234 11.946 ( -3.938 -6.630 -0.000) 7.712 12.020 ( -21.486 -8.865 0.000) 23.243 12.449 ( -0.339 0.186 0.000) 0.386 12.466 ( -1.615 0.807 0.000) 1.805 12.917 ( -10.862 5.714 0.000) 12.274 13.069 ( 17.281 7.886 -0.000) 18.995 13.154 ( 7.477 -2.570 -0.000) 7.906 13.287 ( 9.038 -1.699 -0.000) 9.197 13.321 ( 11.439 0.976 -0.000) 11.481 13.830 ( -11.732 -7.647 -0.000) 14.004 14.304 ( 2.789 -0.838 -0.000) 2.912 14.315 ( 3.317 1.261 -0.000) 3.548 14.557 ( -2.031 -7.034 -0.000) 7.321 14.737 ( -7.055 3.941 0.000) 8.081 14.742 ( -0.443 2.660 0.000) 2.697 14.855 ( -7.391 -4.125 -0.000) 8.464 14.980 ( -4.093 -4.418 -0.000) 6.022 15.115 ( 2.360 7.899 0.000) 8.244 15.261 ( 8.088 -1.145 -0.000) 8.169 15.420 ( -0.318 -2.437 -0.000) 2.458 15.422 ( -1.304 -2.004 -0.000) 2.391 15.648 ( -1.697 5.587 0.000) 5.839 15.661 ( -2.999 -0.556 0.000) 3.050 15.778 ( -5.720 -0.547 0.000) 5.746 15.827 ( 0.984 -2.206 -0.000) 2.416 16.101 ( -5.438 3.553 0.000) 6.496 16.190 ( -3.462 -5.409 -0.000) 6.421 16.203 ( 2.229 -0.326 -0.000) 2.253 16.551 ( -2.269 1.849 0.000) 2.927 16.677 ( -0.437 -5.163 -0.000) 5.182 16.861 ( 1.412 -0.461 -0.000) 1.486 16.988 ( 1.006 2.906 0.000) 3.075 17.012 ( 1.401 -5.757 -0.000) 5.925 17.200 ( -3.315 0.078 0.000) 3.316 17.369 ( 5.853 2.798 -0.000) 6.487 17.627 ( -0.207 12.049 0.000) 12.050 17.875 ( 2.017 -2.662 -0.000) 3.340 17.932 ( -2.281 -3.606 -0.000) 4.267 18.204 ( -6.768 -4.507 -0.000) 8.131 18.268 ( 7.364 3.949 -0.000) 8.356 18.615 ( 0.767 2.876 0.000) 2.977 19.374 ( -5.356 13.496 0.000) 14.520 19.830 ( 6.944 11.764 0.000) 13.661 20.637 ( 4.730 2.320 -0.000) 5.269 20.891 ( 5.314 -0.442 -0.000) 5.333 21.246 ( 10.538 -10.844 -0.000) 15.121 21.379 ( 12.301 0.577 -0.000) 12.314 22.211 ( -11.200 -19.825 -0.000) 22.770 ======================= Grid point 44 (39/72) ======================= q-point: (-0.37 0.13 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 -9.026 -5.333) 10.484 2.035 ( 0.000 -25.578 12.892) 28.644 2.231 ( -0.000 2.703 1.986) 3.354 2.630 ( 0.000 -2.373 9.368) 9.664 2.700 ( -0.000 6.071 7.714) 9.816 3.009 ( 0.000 -4.419 -9.342) 10.334 3.129 ( 0.000 -12.589 -8.363) 15.113 3.388 ( 0.000 -2.337 2.691) 3.565 3.901 ( -0.000 13.672 2.387) 13.879 4.016 ( 0.000 -2.886 -22.165) 22.352 4.193 ( -0.000 25.586 -1.732) 25.645 4.252 ( 0.000 -17.523 -6.380) 18.648 4.322 ( 0.000 -27.479 -1.643) 27.528 5.096 ( -0.000 19.081 14.144) 23.751 5.165 ( 0.000 0.538 12.092) 12.104 5.917 ( 0.000 -25.041 -7.376) 26.104 5.940 ( 0.000 -5.256 -10.415) 11.666 6.074 ( -0.000 2.041 -7.104) 7.392 6.393 ( -0.000 30.605 -0.466) 30.608 6.601 ( 0.000 -0.686 14.548) 14.564 6.978 ( 0.000 -2.971 11.808) 12.176 7.417 ( -0.000 5.892 -6.845) 9.032 7.424 ( -0.000 1.607 2.136) 2.673 7.579 ( 0.000 -6.623 -10.189) 12.152 7.688 ( -0.000 14.560 -5.716) 15.641 7.812 ( -0.000 18.695 -5.953) 19.620 7.853 ( 0.000 0.172 1.687) 1.695 8.053 ( 0.000 -12.669 2.491) 12.912 8.136 ( 0.000 -3.943 4.663) 6.107 8.162 ( 0.000 0.279 5.426) 5.433 8.367 ( -0.000 1.078 -2.123) 2.381 8.464 ( 0.000 -1.335 4.408) 4.605 8.496 ( 0.000 -5.164 7.773) 9.332 8.545 ( -0.000 1.453 0.071) 1.455 9.092 ( -0.000 2.220 -7.393) 7.719 9.196 ( 0.000 -6.268 -3.561) 7.208 9.338 ( -0.000 1.481 6.343) 6.514 9.464 ( -0.000 0.245 1.017) 1.046 9.494 ( 0.000 -1.931 1.843) 2.670 9.799 ( -0.000 10.785 -2.958) 11.183 9.935 ( -0.000 0.015 -7.200) 7.200 10.252 ( 0.000 -1.023 -5.745) 5.836 10.328 ( 0.000 -9.261 -1.116) 9.328 10.526 ( 0.000 -2.185 7.791) 8.092 10.641 ( -0.000 3.851 5.744) 6.916 11.028 ( 0.000 -1.013 0.645) 1.201 11.203 ( -0.000 3.650 -9.235) 9.930 11.231 ( 0.000 -6.153 -5.526) 8.270 11.674 ( 0.000 -7.815 1.218) 7.909 11.724 ( -0.000 0.792 -0.893) 1.193 11.960 ( -0.000 -0.191 -1.879) 1.888 12.127 ( 0.000 -2.854 6.027) 6.669 12.317 ( -0.000 5.350 -0.177) 5.353 12.342 ( 0.000 -2.573 0.540) 2.629 12.351 ( -0.000 7.434 5.227) 9.088 12.940 ( -0.000 10.948 -0.534) 10.961 13.045 ( 0.000 -9.077 -4.499) 10.131 13.259 ( -0.000 2.038 2.106) 2.931 13.327 ( 0.000 -8.537 0.973) 8.592 13.398 ( -0.000 6.143 0.283) 6.150 13.483 ( -0.000 6.746 0.405) 6.759 14.033 ( 0.000 -6.539 7.580) 10.011 14.231 ( 0.000 -2.072 -0.794) 2.219 14.345 ( 0.000 -1.602 -3.867) 4.186 14.561 ( 0.000 -1.094 -2.438) 2.673 14.819 ( -0.000 -0.278 -3.739) 3.749 14.933 ( 0.000 0.038 0.438) 0.440 15.209 ( 0.000 -0.573 -0.873) 1.044 15.234 ( 0.000 -0.716 4.140) 4.202 15.307 ( -0.000 1.360 3.035) 3.326 15.477 ( 0.000 -1.030 -2.368) 2.582 15.563 ( 0.000 -1.813 1.463) 2.330 15.642 ( -0.000 5.555 0.012) 5.555 15.724 ( -0.000 0.041 -2.535) 2.535 16.068 ( 0.000 -0.186 0.512) 0.545 16.078 ( -0.000 14.707 2.159) 14.865 16.105 ( -0.000 1.361 -0.331) 1.400 16.423 ( 0.000 -7.486 4.674) 8.825 16.507 ( -0.000 1.529 -1.950) 2.478 16.633 ( 0.000 -11.320 -3.011) 11.714 16.635 ( 0.000 -0.056 -0.044) 0.071 16.685 ( 0.000 -1.676 0.874) 1.890 17.107 ( 0.000 -2.779 -2.120) 3.496 17.198 ( -0.000 4.651 -3.386) 5.753 17.223 ( -0.000 1.315 -2.552) 2.871 17.249 ( 0.000 -0.173 2.838) 2.843 17.610 ( 0.000 -1.739 -0.850) 1.935 17.666 ( -0.000 9.175 -2.179) 9.430 17.980 ( -0.000 4.226 3.229) 5.318 18.164 ( 0.000 -4.417 3.016) 5.348 18.441 ( 0.000 -4.482 0.169) 4.485 18.700 ( 0.000 -3.045 0.640) 3.112 18.753 ( 0.000 -11.577 -5.650) 12.882 19.278 ( 0.000 -5.353 1.389) 5.531 20.277 ( 0.000 0.034 2.836) 2.836 20.489 ( -0.000 9.431 0.685) 9.456 20.972 ( -0.000 10.088 -1.373) 10.181 21.325 ( -0.000 14.682 -7.527) 16.499 22.129 ( 0.000 -15.755 8.563) 17.932 ======================= Grid point 45 (40/72) ======================= q-point: ( 0.13 0.13 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.000 0.000 36.622) 36.622 0.892 ( 0.000 0.000 43.358) 43.358 1.402 ( 0.000 0.000 67.803) 67.803 1.490 ( 0.000 0.000 10.329) 10.329 2.351 ( -0.000 -0.000 -3.041) 3.041 2.642 ( -0.000 -0.000 -0.084) 0.084 2.943 ( 0.000 0.000 5.972) 5.972 3.590 ( -0.000 -0.000 -8.712) 8.712 3.722 ( -0.000 -0.000 -2.350) 2.350 3.757 ( -0.000 -0.000 -5.786) 5.786 3.911 ( 0.000 0.000 2.450) 2.450 4.154 ( 0.000 0.000 9.001) 9.001 4.913 ( -0.000 -0.000 -4.925) 4.925 5.151 ( -0.000 -0.000 -4.189) 4.189 5.323 ( 0.000 0.000 1.887) 1.887 5.490 ( -0.000 -0.000 -5.229) 5.229 6.316 ( -0.000 -0.000 -10.582) 10.582 6.599 ( 0.000 0.000 1.779) 1.779 6.716 ( 0.000 0.000 7.356) 7.356 7.105 ( -0.000 -0.000 -5.410) 5.410 7.146 ( -0.000 -0.000 -9.211) 9.211 7.252 ( -0.000 -0.000 -6.278) 6.278 7.438 ( -0.000 -0.000 -5.687) 5.687 7.447 ( -0.000 -0.000 -0.457) 0.457 7.448 ( 0.000 0.000 10.918) 10.918 7.863 ( -0.000 -0.000 -16.283) 16.283 8.001 ( 0.000 0.000 1.572) 1.572 8.201 ( -0.000 -0.000 -2.663) 2.663 8.202 ( -0.000 -0.000 -7.180) 7.180 8.428 ( 0.000 0.000 4.670) 4.670 8.552 ( 0.000 0.000 1.487) 1.487 8.575 ( 0.000 0.000 0.172) 0.172 8.646 ( 0.000 0.000 7.571) 7.571 8.867 ( -0.000 -0.000 -6.115) 6.115 8.986 ( 0.000 0.000 14.060) 14.060 9.314 ( 0.000 0.000 0.421) 0.421 9.464 ( -0.000 -0.000 -1.968) 1.968 9.572 ( -0.000 -0.000 -6.410) 6.410 9.758 ( -0.000 -0.000 -1.714) 1.714 9.847 ( -0.000 -0.000 -3.310) 3.310 9.958 ( 0.000 0.000 3.507) 3.507 10.334 ( 0.000 0.000 1.977) 1.977 10.433 ( -0.000 -0.000 -1.146) 1.146 10.472 ( 0.000 0.000 7.648) 7.648 10.556 ( -0.000 -0.000 -11.185) 11.185 10.568 ( -0.000 -0.000 -0.008) 0.008 11.114 ( -0.000 -0.000 -5.452) 5.452 11.314 ( 0.000 0.000 0.208) 0.208 11.356 ( 0.000 0.000 16.437) 16.437 11.671 ( 0.000 0.000 1.610) 1.610 11.794 ( 0.000 0.000 0.621) 0.621 12.043 ( -0.000 -0.000 -3.029) 3.029 12.193 ( -0.000 -0.000 -6.646) 6.646 12.305 ( -0.000 -0.000 -0.842) 0.842 12.531 ( -0.000 -0.000 -1.545) 1.545 12.719 ( 0.000 0.000 3.478) 3.478 13.043 ( -0.000 -0.000 -8.356) 8.356 13.247 ( 0.000 0.000 6.271) 6.271 13.322 ( -0.000 -0.000 -4.860) 4.860 13.757 ( -0.000 -0.000 -2.875) 2.875 13.915 ( 0.000 0.000 0.284) 0.284 13.966 ( 0.000 0.000 3.826) 3.826 14.131 ( 0.000 0.000 1.590) 1.590 14.361 ( -0.000 -0.000 -0.172) 0.172 14.679 ( 0.000 0.000 3.302) 3.302 14.937 ( -0.000 -0.000 -0.164) 0.164 14.991 ( 0.000 0.000 0.977) 0.977 15.159 ( 0.000 0.000 2.691) 2.691 15.191 ( -0.000 -0.000 -0.106) 0.106 15.270 ( -0.000 -0.000 -1.190) 1.190 15.377 ( 0.000 0.000 2.211) 2.211 15.395 ( -0.000 -0.000 -1.476) 1.476 15.665 ( -0.000 -0.000 -1.271) 1.271 15.965 ( -0.000 -0.000 -1.113) 1.113 15.986 ( -0.000 -0.000 -0.432) 0.432 16.181 ( -0.000 -0.000 -0.868) 0.868 16.242 ( -0.000 -0.000 -10.128) 10.128 16.414 ( -0.000 -0.000 -7.312) 7.312 16.608 ( 0.000 0.000 0.020) 0.020 16.658 ( 0.000 0.000 2.406) 2.406 16.671 ( -0.000 -0.000 -15.149) 15.149 16.776 ( 0.000 0.000 5.172) 5.172 17.024 ( -0.000 -0.000 -0.785) 0.785 17.122 ( -0.000 -0.000 -1.169) 1.169 17.159 ( -0.000 -0.000 -1.038) 1.038 17.298 ( 0.000 0.000 3.969) 3.969 17.646 ( 0.000 0.000 4.117) 4.117 17.846 ( 0.000 0.000 18.179) 18.179 17.901 ( 0.000 0.000 3.118) 3.118 18.092 ( -0.000 -0.000 -9.150) 9.150 18.259 ( 0.000 0.000 7.990) 7.990 18.482 ( -0.000 -0.000 -0.002) 0.002 18.668 ( 0.000 0.000 5.901) 5.901 19.025 ( -0.000 -0.000 -0.382) 0.382 19.530 ( -0.000 -0.000 -1.629) 1.629 20.655 ( -0.000 -0.000 -2.232) 2.232 20.827 ( -0.000 -0.000 -1.193) 1.193 21.677 ( -0.000 -0.000 -11.002) 11.002 22.524 ( 0.000 0.000 10.633) 10.633 ======================= Grid point 46 (41/72) ======================= q-point: (-0.20 -0.30 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -1.116 -11.829 -0.141) 11.883 2.431 ( -2.848 -4.808 -5.283) 7.690 2.525 ( -10.952 0.060 -2.426) 11.217 2.681 ( 1.371 5.824 -0.022) 5.983 2.838 ( -0.154 3.102 -1.609) 3.498 2.967 ( -3.002 0.447 1.562) 3.413 3.208 ( 4.741 3.809 -1.571) 6.281 3.389 ( -4.574 6.705 3.191) 8.721 3.589 ( -5.499 4.024 -4.935) 8.413 4.032 ( 5.808 -18.358 -0.728) 19.268 4.150 ( -1.150 -17.177 2.923) 17.462 4.512 ( 4.792 -9.281 -2.803) 10.815 4.614 ( -1.814 1.732 8.401) 8.768 4.849 ( 4.624 3.754 -3.644) 6.982 5.227 ( -0.525 1.180 0.147) 1.300 5.489 ( -4.380 1.976 -2.506) 5.419 6.141 ( 2.187 3.897 -2.187) 4.975 6.426 ( -4.522 0.131 1.529) 4.775 6.627 ( -2.910 6.354 2.256) 7.344 6.739 ( 4.069 -1.497 -2.539) 5.024 6.986 ( -1.018 5.164 3.784) 6.482 7.146 ( -0.357 -5.809 0.549) 5.846 7.258 ( -1.003 2.724 0.651) 2.975 7.471 ( 0.178 -2.909 0.743) 3.008 7.545 ( 3.406 2.210 -0.663) 4.113 7.674 ( -1.776 -2.216 0.044) 2.840 7.976 ( 0.469 -7.721 -3.944) 8.683 8.012 ( -0.286 -5.036 6.658) 8.352 8.234 ( -1.426 7.446 -1.533) 7.735 8.304 ( 4.736 10.131 -1.384) 11.269 8.555 ( -6.332 11.632 0.314) 13.247 8.690 ( -4.483 0.132 -7.650) 8.868 8.814 ( 3.883 9.628 3.197) 10.862 8.890 ( 2.168 -2.301 1.371) 3.446 8.967 ( -3.610 -1.989 0.441) 4.145 9.106 ( 0.253 2.845 -1.043) 3.041 9.545 ( -5.126 -4.261 -3.756) 7.651 9.678 ( 5.782 0.964 -0.066) 5.862 9.794 ( -6.735 -2.366 -3.841) 8.106 9.889 ( 1.126 -3.400 12.699) 13.194 9.993 ( 0.646 2.643 5.039) 5.727 10.122 ( -2.621 6.845 -4.472) 8.586 10.359 ( 3.563 -0.458 0.781) 3.677 10.486 ( 4.958 -0.231 -3.297) 5.959 10.821 ( -13.632 -2.631 -0.219) 13.885 10.902 ( -1.996 -0.252 -2.696) 3.363 11.059 ( -9.307 -10.329 -2.548) 14.135 11.272 ( 2.777 -3.838 -0.271) 4.745 11.369 ( -1.969 -3.488 5.025) 6.426 11.555 ( 1.719 -4.222 -1.264) 4.731 11.561 ( 15.568 -5.431 4.920) 17.207 11.882 ( 8.891 3.929 -2.359) 10.003 11.979 ( 8.954 7.572 -2.191) 11.929 12.439 ( -0.239 -0.951 0.210) 1.003 12.526 ( 5.882 -0.667 1.020) 6.007 12.812 ( -8.419 -8.183 -5.533) 12.979 13.134 ( -1.276 1.268 3.713) 4.126 13.234 ( -11.598 6.521 0.807) 13.330 13.292 ( 3.138 -8.684 2.865) 9.668 13.447 ( -10.282 2.872 4.224) 11.481 13.738 ( 10.207 8.786 -4.584) 14.227 14.228 ( -4.080 -0.979 -1.356) 4.410 14.306 ( -0.799 -2.261 0.322) 2.419 14.630 ( -6.875 0.523 -1.044) 6.974 14.694 ( 1.968 0.692 -1.149) 2.381 14.841 ( 2.855 1.581 -4.009) 5.169 14.858 ( 3.345 0.497 1.869) 3.863 14.909 ( 1.589 0.745 -0.542) 1.837 15.092 ( -1.262 -4.958 1.151) 5.244 15.280 ( 1.585 2.290 3.748) 4.670 15.347 ( 3.404 -3.015 -2.607) 5.241 15.506 ( 0.917 -2.410 1.121) 2.811 15.541 ( 5.030 3.235 0.595) 6.010 15.593 ( 0.759 6.462 0.498) 6.526 15.667 ( 2.508 0.406 0.444) 2.579 16.080 ( -0.553 -3.498 0.314) 3.556 16.129 ( -3.021 -5.238 -3.574) 7.024 16.231 ( -1.060 0.891 -0.257) 1.408 16.237 ( 3.195 0.464 2.457) 4.057 16.430 ( 6.946 2.779 -4.097) 8.529 16.542 ( 3.109 5.637 4.316) 7.750 16.778 ( 0.097 -3.788 -0.957) 3.908 17.000 ( -1.224 2.707 0.025) 2.971 17.123 ( -0.342 2.067 0.827) 2.253 17.264 ( -0.798 1.857 -1.545) 2.544 17.362 ( -1.750 -5.458 1.915) 6.044 17.685 ( -2.594 4.995 -1.784) 5.905 17.774 ( 0.755 6.229 0.263) 6.280 18.035 ( 1.638 -1.629 -0.460) 2.355 18.197 ( -4.743 -16.390 1.846) 17.163 18.373 ( 0.449 -0.630 0.272) 0.820 18.460 ( -0.884 4.500 -1.509) 4.827 19.364 ( -3.209 -19.056 -3.511) 19.640 19.928 ( -2.465 0.124 1.783) 3.045 20.282 ( -3.446 -19.133 0.436) 19.446 21.075 ( -3.545 14.517 0.275) 14.946 21.448 ( -5.752 9.507 5.601) 12.444 21.532 ( -4.674 -1.692 4.139) 6.468 21.982 ( 4.874 19.549 -6.658) 21.219 ======================= Grid point 47 (42/72) ======================= q-point: ( 0.30 -0.30 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -10.719 25.114 0.000) 27.305 2.230 ( -12.604 0.824 0.000) 12.631 2.312 ( -19.550 0.695 0.000) 19.562 2.775 ( -9.318 -6.980 -0.000) 11.643 2.857 ( -9.943 -7.210 -0.000) 12.283 3.002 ( -0.111 -0.702 -0.000) 0.711 3.271 ( -1.185 -2.682 -0.000) 2.933 3.438 ( -2.612 7.755 0.000) 8.183 3.472 ( -9.380 1.996 0.000) 9.590 3.738 ( 5.952 20.069 0.000) 20.933 4.219 ( 19.491 -23.710 -0.000) 30.693 4.379 ( -5.483 11.441 0.000) 12.687 4.513 ( -9.074 -2.005 0.000) 9.293 5.022 ( -18.950 9.043 0.000) 20.997 5.086 ( 18.326 9.836 -0.000) 20.799 5.434 ( -0.248 -7.167 -0.000) 7.172 6.036 ( 1.095 0.609 0.000) 1.253 6.566 ( -2.541 5.971 0.000) 6.489 6.766 ( -6.220 3.595 0.000) 7.184 6.795 ( 2.053 -12.835 -0.000) 12.998 7.019 ( 7.824 -10.513 -0.000) 13.105 7.114 ( 4.270 -1.797 -0.000) 4.633 7.391 ( 11.807 8.180 0.000) 14.364 7.447 ( 1.509 7.428 0.000) 7.579 7.536 ( 2.039 3.528 0.000) 4.075 7.693 ( -5.298 -1.459 0.000) 5.495 7.748 ( 6.171 3.446 0.000) 7.068 8.163 ( -0.103 2.784 0.000) 2.786 8.312 ( -4.041 -13.053 -0.000) 13.664 8.372 ( -1.902 10.266 0.000) 10.440 8.479 ( -3.026 -13.249 -0.000) 13.590 8.498 ( -6.605 -2.307 0.000) 6.996 8.834 ( -4.643 -5.472 -0.000) 7.176 9.018 ( 4.071 -5.926 -0.000) 7.190 9.051 ( -1.716 -5.290 -0.000) 5.561 9.334 ( -16.091 -12.788 -0.000) 20.554 9.499 ( 1.860 5.665 0.000) 5.963 9.697 ( 3.594 -7.061 -0.000) 7.923 9.794 ( 0.635 -4.213 -0.000) 4.261 9.845 ( 5.668 -2.125 -0.000) 6.054 10.164 ( 16.242 3.139 -0.000) 16.543 10.344 ( 1.882 -0.040 -0.000) 1.883 10.426 ( -1.250 -0.910 -0.000) 1.546 10.461 ( -4.853 4.550 0.000) 6.652 10.554 ( -10.528 23.253 0.000) 25.525 10.733 ( -2.667 1.191 0.000) 2.921 10.761 ( -25.071 1.914 0.000) 25.144 11.089 ( 5.745 9.110 0.000) 10.770 11.469 ( -2.949 3.544 0.000) 4.610 11.513 ( 19.214 4.909 -0.000) 19.832 11.662 ( 22.541 -1.779 -0.000) 22.612 11.932 ( -8.520 -9.605 -0.000) 12.839 12.094 ( 2.085 -5.331 -0.000) 5.725 12.425 ( -12.964 9.671 0.000) 16.174 12.474 ( 2.743 -0.560 -0.000) 2.799 12.550 ( 6.772 -0.946 -0.000) 6.838 13.132 ( 6.076 6.349 0.000) 8.788 13.236 ( 3.664 -1.031 -0.000) 3.806 13.409 ( -4.107 -2.237 0.000) 4.677 13.704 ( -17.309 -7.039 0.000) 18.685 13.753 ( 15.369 -6.900 -0.000) 16.847 14.096 ( -9.592 7.879 0.000) 12.414 14.318 ( 0.793 1.572 0.000) 1.760 14.498 ( -3.353 -1.354 0.000) 3.616 14.679 ( -8.562 0.853 0.000) 8.605 14.712 ( 2.265 1.523 0.000) 2.729 14.735 ( 1.853 2.677 0.000) 3.256 15.081 ( 6.744 3.290 -0.000) 7.503 15.086 ( -7.290 -6.531 -0.000) 9.787 15.398 ( -2.312 0.505 0.000) 2.367 15.399 ( -3.934 3.506 0.000) 5.270 15.438 ( 6.913 -2.767 -0.000) 7.446 15.620 ( 5.865 0.309 -0.000) 5.873 15.650 ( 3.114 -2.078 -0.000) 3.744 15.844 ( 7.113 -2.786 -0.000) 7.639 15.857 ( 2.007 2.892 0.000) 3.521 16.031 ( -1.813 -4.322 -0.000) 4.687 16.191 ( 0.119 3.952 0.000) 3.954 16.344 ( 3.248 -7.173 -0.000) 7.874 16.576 ( 1.595 -6.784 -0.000) 6.969 16.775 ( -1.929 -5.716 -0.000) 6.033 16.894 ( -2.492 4.954 0.000) 5.545 16.978 ( 7.146 -0.084 -0.000) 7.147 17.138 ( -1.313 -2.094 -0.000) 2.472 17.177 ( 1.025 -6.084 -0.000) 6.169 17.307 ( -1.597 11.115 0.000) 11.229 17.366 ( 1.102 3.570 0.000) 3.736 17.942 ( -4.501 -4.654 -0.000) 6.474 17.958 ( 2.288 1.457 0.000) 2.712 18.124 ( -8.045 -2.084 0.000) 8.311 18.315 ( 7.436 10.353 0.000) 12.746 18.545 ( -1.014 -0.549 0.000) 1.153 18.784 ( -13.050 16.242 0.000) 20.835 19.683 ( -0.711 7.706 0.000) 7.739 20.628 ( -1.643 1.390 0.000) 2.152 20.919 ( -1.077 0.970 0.000) 1.449 21.657 ( 8.157 -5.165 -0.000) 9.654 21.738 ( 8.625 -10.957 -0.000) 13.944 22.393 ( -10.817 -16.346 -0.000) 19.601 ======================= Grid point 49 (43/72) ======================= q-point: ( 0.47 0.28 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 2.122 3.391 4.585) 6.084 2.202 ( 6.787 -0.284 -0.445) 6.807 2.474 ( 4.980 0.569 17.439) 18.145 2.571 ( -0.251 0.214 3.292) 3.309 2.763 ( 6.295 -4.716 8.217) 11.375 2.977 ( -2.722 0.895 -3.333) 4.396 3.208 ( -2.176 3.999 6.635) 8.047 3.436 ( -2.346 -4.086 3.963) 6.157 3.738 ( -2.906 -9.303 -8.065) 12.650 3.858 ( 15.777 13.466 -2.530) 20.896 4.131 ( 0.721 1.845 -11.359) 11.530 4.323 ( -8.551 -2.539 6.199) 10.863 4.738 ( 0.315 11.169 -5.005) 12.243 4.945 ( 6.879 -3.477 0.486) 7.723 5.226 ( 0.784 4.271 4.728) 6.420 5.523 ( -5.543 5.454 4.032) 8.759 6.186 ( 0.904 -5.532 -0.966) 5.688 6.281 ( 1.165 -14.926 -6.549) 16.341 6.460 ( 8.356 -12.204 -7.785) 16.715 6.614 ( -0.029 1.294 8.856) 8.950 6.941 ( -6.719 13.634 3.670) 15.636 7.237 ( -2.341 7.305 1.126) 7.753 7.259 ( -0.677 -0.768 -6.081) 6.167 7.437 ( -1.011 1.124 -2.704) 3.098 7.507 ( 1.894 13.718 -9.711) 16.914 7.709 ( -3.145 -2.808 -5.966) 7.305 7.936 ( 5.826 -0.611 1.663) 6.089 8.142 ( -4.421 -6.362 7.159) 10.549 8.230 ( 5.272 3.853 2.276) 6.915 8.341 ( 3.804 -12.812 2.079) 13.525 8.405 ( 4.772 -4.023 -0.764) 6.288 8.502 ( -1.122 -6.176 -4.593) 7.778 8.547 ( 4.276 2.011 -2.351) 5.278 8.770 ( 5.067 -4.272 5.583) 8.666 9.012 ( -0.717 -2.536 -2.770) 3.824 9.199 ( -5.129 -4.578 1.573) 7.052 9.413 ( 5.793 1.831 1.981) 6.391 9.460 ( 4.908 1.649 -0.853) 5.247 9.574 ( 4.042 -0.881 3.449) 5.386 9.865 ( 3.396 -2.548 -7.170) 8.332 9.951 ( 4.711 -0.004 -0.945) 4.804 10.216 ( -4.405 -0.233 -7.345) 8.567 10.408 ( 0.727 0.839 6.374) 6.470 10.462 ( -6.593 -2.529 2.715) 7.566 10.692 ( 1.480 1.609 3.609) 4.219 10.849 ( -11.821 7.081 -0.288) 13.783 11.091 ( 2.553 5.065 -5.698) 8.040 11.288 ( -5.139 -2.699 -0.421) 5.820 11.694 ( -3.087 4.850 1.474) 5.935 11.726 ( -5.740 -2.381 1.453) 6.382 11.790 ( -4.245 1.639 -1.032) 4.666 12.230 ( 4.715 -1.801 2.674) 5.712 12.319 ( 3.723 0.341 3.547) 5.153 12.340 ( 7.669 5.674 3.762) 10.255 12.538 ( 13.860 -0.955 -1.366) 13.960 12.706 ( 1.286 2.932 -4.631) 5.630 12.843 ( -14.518 6.852 0.514) 16.062 13.147 ( -13.953 -3.778 -7.097) 16.104 13.212 ( -6.922 0.065 -0.468) 6.938 13.350 ( -0.424 4.752 -1.537) 5.012 13.793 ( 12.270 -10.345 2.321) 16.216 14.155 ( 0.205 -1.706 5.007) 5.294 14.242 ( -0.691 -0.131 -0.326) 0.775 14.484 ( 4.907 -5.949 4.602) 8.980 14.673 ( 2.293 -7.000 -1.569) 7.531 14.861 ( 3.389 1.121 -0.965) 3.698 14.971 ( 1.572 -1.396 -1.245) 2.443 15.069 ( -9.324 1.563 -0.872) 9.494 15.292 ( -0.294 1.880 3.019) 3.568 15.306 ( -0.404 0.333 -0.715) 0.886 15.365 ( -6.507 5.460 0.290) 8.499 15.495 ( -1.296 -1.454 -3.397) 3.915 15.645 ( 4.374 -3.541 3.567) 6.663 15.703 ( -1.526 0.928 -5.319) 5.611 15.765 ( -1.036 7.360 2.278) 7.774 16.078 ( 3.441 2.479 -0.758) 4.308 16.109 ( 0.345 0.163 0.599) 0.710 16.380 ( -9.778 1.447 3.035) 10.340 16.441 ( -5.547 5.598 -0.433) 7.893 16.606 ( -2.534 -7.515 2.330) 8.266 16.789 ( 4.502 -1.616 2.142) 5.240 16.827 ( -2.723 -3.345 -3.622) 5.632 17.038 ( -2.200 2.642 -3.722) 5.067 17.130 ( -6.585 5.412 2.740) 8.953 17.185 ( 2.049 3.023 -2.073) 4.200 17.313 ( 2.731 -2.157 -0.375) 3.500 17.435 ( -1.503 -0.477 -6.930) 7.107 17.764 ( 3.732 -7.318 0.601) 8.237 17.899 ( 4.915 5.156 3.960) 8.150 18.251 ( -2.245 -3.236 1.795) 4.328 18.445 ( -5.091 0.112 0.149) 5.094 18.596 ( -8.949 -1.445 3.841) 9.845 19.139 ( 12.034 -2.686 3.185) 12.735 19.533 ( 9.733 -0.569 -2.142) 9.982 20.045 ( 10.547 18.146 10.312) 23.385 20.639 ( 11.854 -4.815 -13.243) 18.414 20.844 ( 8.535 7.390 -1.215) 11.355 21.133 ( 2.688 2.981 -9.183) 10.022 22.459 ( -4.965 -18.288 9.431) 21.167 ======================= Grid point 50 (44/72) ======================= q-point: ( 0.14 -0.14 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -18.292 -0.000 0.000) 18.292 1.694 ( -37.698 -0.000 0.000) 37.698 1.898 ( -22.528 -0.000 0.000) 22.528 2.580 ( -26.773 -0.000 0.000) 26.773 2.712 ( -7.201 -0.000 0.000) 7.201 2.963 ( -3.379 -0.000 0.000) 3.379 3.095 ( -33.285 -0.000 0.000) 33.285 3.395 ( 6.069 0.000 -0.000) 6.069 3.423 ( -1.431 -0.000 0.000) 1.431 3.606 ( 10.385 0.000 -0.000) 10.385 3.636 ( -7.060 -0.000 0.000) 7.060 4.614 ( -16.138 -0.000 0.000) 16.138 4.808 ( 16.021 0.000 -0.000) 16.021 4.937 ( 10.368 0.000 -0.000) 10.368 5.186 ( 10.096 0.000 -0.000) 10.096 5.530 ( 0.236 0.000 -0.000) 0.236 6.166 ( 12.628 0.000 -0.000) 12.628 6.434 ( -1.120 -0.000 0.000) 1.120 6.565 ( -5.822 -0.000 0.000) 5.822 7.034 ( 0.020 0.000 -0.000) 0.020 7.206 ( 5.338 0.000 -0.000) 5.338 7.346 ( 4.888 0.000 -0.000) 4.888 7.367 ( 0.139 0.000 -0.000) 0.139 7.368 ( 0.378 0.000 -0.000) 0.378 7.461 ( 4.383 0.000 -0.000) 4.383 7.593 ( -11.467 -0.000 0.000) 11.467 7.872 ( 9.724 0.000 -0.000) 9.724 8.002 ( -6.096 -0.000 0.000) 6.096 8.228 ( 9.356 0.000 -0.000) 9.356 8.421 ( -1.527 -0.000 0.000) 1.527 8.515 ( -1.031 -0.000 0.000) 1.031 8.734 ( 4.364 0.000 -0.000) 4.364 8.753 ( -3.982 -0.000 0.000) 3.982 8.995 ( -14.885 -0.000 0.000) 14.885 9.169 ( -9.234 -0.000 0.000) 9.234 9.196 ( -0.968 -0.000 0.000) 0.968 9.439 ( -3.794 -0.000 0.000) 3.794 9.731 ( -15.255 -0.000 0.000) 15.255 9.892 ( 5.301 0.000 -0.000) 5.301 10.087 ( 3.545 0.000 -0.000) 3.545 10.104 ( 17.802 0.000 -0.000) 17.802 10.186 ( -18.157 -0.000 0.000) 18.157 10.204 ( -6.473 -0.000 0.000) 6.473 10.334 ( -6.560 -0.000 0.000) 6.560 10.433 ( 11.411 0.000 -0.000) 11.411 10.566 ( 4.446 0.000 -0.000) 4.446 10.900 ( 7.725 0.000 -0.000) 7.725 11.081 ( 8.750 0.000 -0.000) 8.750 11.265 ( -27.304 -0.000 0.000) 27.304 11.352 ( -4.016 -0.000 0.000) 4.016 11.948 ( 4.368 0.000 -0.000) 4.368 12.160 ( -4.325 -0.000 0.000) 4.325 12.208 ( 2.742 0.000 -0.000) 2.742 12.254 ( 20.420 0.000 -0.000) 20.420 12.511 ( -2.564 -0.000 0.000) 2.564 12.753 ( 13.331 0.000 -0.000) 13.331 13.234 ( 13.598 0.000 -0.000) 13.598 13.235 ( -14.957 -0.000 0.000) 14.957 13.323 ( 2.843 0.000 -0.000) 2.843 13.425 ( -14.102 -0.000 0.000) 14.102 13.907 ( -1.411 -0.000 0.000) 1.411 14.042 ( 3.249 0.000 -0.000) 3.249 14.327 ( 1.564 0.000 -0.000) 1.564 14.492 ( -4.226 -0.000 0.000) 4.226 14.495 ( -4.595 -0.000 0.000) 4.595 14.678 ( -1.639 -0.000 0.000) 1.639 14.796 ( 7.273 0.000 -0.000) 7.273 14.929 ( -5.960 -0.000 0.000) 5.960 15.200 ( 7.211 0.000 -0.000) 7.211 15.227 ( -8.002 -0.000 0.000) 8.002 15.356 ( -1.040 -0.000 0.000) 1.040 15.590 ( 4.430 0.000 -0.000) 4.430 15.743 ( -6.868 -0.000 0.000) 6.868 15.811 ( 7.128 0.000 -0.000) 7.128 15.891 ( 17.580 0.000 -0.000) 17.580 16.032 ( -2.893 -0.000 0.000) 2.893 16.109 ( 12.644 0.000 -0.000) 12.644 16.128 ( -0.362 -0.000 0.000) 0.362 16.513 ( 1.126 0.000 -0.000) 1.126 16.763 ( 3.220 0.000 -0.000) 3.220 16.765 ( 6.680 0.000 -0.000) 6.680 16.885 ( -3.460 -0.000 0.000) 3.460 17.076 ( 3.344 0.000 -0.000) 3.344 17.101 ( -4.457 -0.000 0.000) 4.457 17.209 ( -3.509 -0.000 0.000) 3.509 17.294 ( 0.260 0.000 -0.000) 0.260 17.316 ( 3.222 0.000 -0.000) 3.222 17.843 ( -7.755 -0.000 0.000) 7.755 18.009 ( -6.259 -0.000 0.000) 6.259 18.026 ( 8.245 0.000 -0.000) 8.245 18.260 ( 7.047 0.000 -0.000) 7.047 18.385 ( -8.716 -0.000 0.000) 8.716 18.548 ( -2.404 -0.000 0.000) 2.404 19.476 ( -10.088 -0.000 0.000) 10.088 20.519 ( -7.685 -0.000 0.000) 7.685 20.843 ( -5.112 -0.000 0.000) 5.112 21.831 ( 2.185 0.000 -0.000) 2.185 21.957 ( 2.069 0.000 -0.000) 2.069 22.441 ( -5.551 -0.000 0.000) 5.551 ======================= Grid point 51 (45/72) ======================= q-point: (-0.36 -0.14 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -15.877 0.000 0.000) 15.877 2.327 ( -2.815 0.000 0.000) 2.815 2.487 ( -5.888 0.000 0.000) 5.888 2.593 ( -0.364 -0.000 -0.000) 0.364 2.803 ( -8.168 0.000 -0.000) 8.168 2.946 ( 4.898 0.000 0.000) 4.898 3.236 ( -3.743 0.000 -0.000) 3.743 3.247 ( -0.601 -0.000 0.000) 0.601 3.402 ( 7.670 -0.000 -0.000) 7.670 4.268 ( -6.355 -0.000 0.000) 6.355 4.322 ( 0.886 0.000 -0.000) 0.886 4.599 ( 2.696 -0.000 0.000) 2.696 4.720 ( -10.050 0.000 0.000) 10.050 4.884 ( 3.591 0.000 -0.000) 3.591 5.270 ( -2.355 0.000 -0.000) 2.355 5.401 ( 10.182 -0.000 -0.000) 10.182 6.070 ( 0.674 0.000 0.000) 0.674 6.291 ( -6.464 0.000 0.000) 6.464 6.462 ( -2.266 0.000 0.000) 2.266 6.740 ( -12.859 0.000 0.000) 12.859 6.931 ( 0.309 0.000 0.000) 0.309 7.157 ( 6.794 0.000 0.000) 6.794 7.395 ( 12.039 0.000 -0.000) 12.039 7.425 ( 0.355 -0.000 0.000) 0.355 7.619 ( 5.120 0.000 0.000) 5.120 7.845 ( -1.402 0.000 0.000) 1.402 7.979 ( 2.964 -0.000 0.000) 2.964 8.032 ( -1.271 -0.000 -0.000) 1.271 8.053 ( -3.724 0.000 0.000) 3.724 8.222 ( -8.914 0.000 0.000) 8.914 8.396 ( 1.275 0.000 0.000) 1.275 8.658 ( -3.063 0.000 0.000) 3.063 8.668 ( -5.868 0.000 0.000) 5.868 8.787 ( -11.119 0.000 0.000) 11.119 8.959 ( 3.463 0.000 0.000) 3.463 9.105 ( 2.229 0.000 0.000) 2.229 9.533 ( -12.220 0.000 0.000) 12.220 9.603 ( -3.598 0.000 0.000) 3.598 9.727 ( -7.416 0.000 0.000) 7.416 9.833 ( 6.019 0.000 0.000) 6.019 10.093 ( 3.252 0.000 -0.000) 3.252 10.141 ( 10.966 0.000 0.000) 10.966 10.359 ( -6.356 0.000 0.000) 6.356 10.503 ( -13.286 0.000 0.000) 13.286 10.592 ( 6.286 0.000 -0.000) 6.286 10.853 ( -4.434 -0.000 0.000) 4.434 11.153 ( 3.411 0.000 0.000) 3.411 11.384 ( -1.462 0.000 -0.000) 1.462 11.420 ( 9.277 -0.000 0.000) 9.277 11.692 ( 5.280 0.000 0.000) 5.280 11.711 ( 1.362 -0.000 -0.000) 1.362 12.067 ( 12.726 0.000 0.000) 12.726 12.246 ( 11.550 0.000 0.000) 11.550 12.531 ( 0.886 0.000 0.000) 0.886 12.619 ( 3.937 0.000 0.000) 3.937 12.697 ( -12.635 -0.000 -0.000) 12.635 12.901 ( 9.401 0.000 0.000) 9.401 13.014 ( -15.671 0.000 0.000) 15.671 13.216 ( -3.757 0.000 0.000) 3.757 13.598 ( 0.922 0.000 -0.000) 0.922 13.659 ( -0.780 -0.000 0.000) 0.780 14.131 ( -4.369 0.000 0.000) 4.369 14.320 ( 0.340 -0.000 0.000) 0.340 14.418 ( -10.240 0.000 -0.000) 10.240 14.649 ( -2.146 0.000 -0.000) 2.146 14.897 ( 4.321 0.000 0.000) 4.321 14.951 ( 3.983 0.000 0.000) 3.983 15.065 ( -4.563 0.000 0.000) 4.563 15.156 ( 14.350 0.000 -0.000) 14.350 15.284 ( 3.533 0.000 -0.000) 3.533 15.365 ( -5.325 0.000 0.000) 5.325 15.485 ( 1.215 0.000 0.000) 1.215 15.618 ( 4.166 0.000 -0.000) 4.166 15.706 ( 8.934 0.000 0.000) 8.934 15.730 ( 0.076 -0.000 -0.000) 0.076 16.094 ( 4.772 0.000 0.000) 4.772 16.149 ( 0.500 0.000 0.000) 0.500 16.274 ( -1.289 0.000 -0.000) 1.289 16.281 ( 4.399 -0.000 0.000) 4.399 16.528 ( 5.772 0.000 0.000) 5.772 16.634 ( 6.040 0.000 0.000) 6.040 16.879 ( 3.534 0.000 0.000) 3.534 16.948 ( 5.017 0.000 0.000) 5.017 17.089 ( -1.072 0.000 0.000) 1.072 17.206 ( -1.105 0.000 -0.000) 1.105 17.337 ( -5.457 0.000 0.000) 5.457 17.550 ( -5.012 0.000 0.000) 5.012 17.712 ( -0.393 0.000 0.000) 0.393 18.156 ( 9.570 0.000 -0.000) 9.570 18.243 ( -11.512 0.000 0.000) 11.512 18.332 ( -2.618 -0.000 0.000) 2.618 18.421 ( 1.445 0.000 0.000) 1.445 19.374 ( -15.964 0.000 0.000) 15.964 19.759 ( -11.833 0.000 0.000) 11.833 20.491 ( -8.582 0.000 0.000) 8.582 20.696 ( -7.519 -0.000 0.000) 7.519 21.315 ( -12.176 -0.000 0.000) 12.176 21.378 ( 2.052 0.000 -0.000) 2.052 21.859 ( 6.162 0.000 0.000) 6.162 ======================= Grid point 53 (46/72) ======================= q-point: ( 0.32 0.43 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -1.690 10.566 6.752) 12.653 2.352 ( 0.515 8.056 4.599) 9.291 2.394 ( 12.001 -0.756 7.721) 14.290 2.727 ( 6.382 -4.183 -2.992) 8.197 2.861 ( -1.351 -1.284 1.262) 2.251 3.048 ( 11.378 -2.008 12.077) 16.714 3.322 ( 0.613 3.423 1.010) 3.621 3.409 ( 4.003 -0.961 9.880) 10.703 3.582 ( 0.537 2.447 1.328) 2.835 3.899 ( -7.356 7.594 -1.062) 10.626 4.150 ( -15.546 -8.964 -3.623) 18.307 4.404 ( 6.332 -5.254 -6.114) 10.251 4.480 ( 2.564 9.342 -8.073) 12.610 4.778 ( -1.698 -2.456 -3.453) 4.565 5.291 ( 4.130 -2.098 9.499) 10.569 5.484 ( -1.200 9.958 6.136) 11.758 6.161 ( -3.668 9.995 -0.723) 10.671 6.551 ( 2.652 -8.042 -0.224) 8.471 6.658 ( 2.581 -11.290 -2.825) 11.920 6.743 ( 7.363 -0.665 -8.686) 11.406 6.863 ( 0.521 -5.118 -1.636) 5.398 7.039 ( 2.874 7.757 1.973) 8.505 7.217 ( -7.107 -0.487 -0.295) 7.130 7.348 ( 5.615 6.080 -6.095) 10.278 7.429 ( -0.327 1.966 -1.652) 2.588 7.602 ( -0.017 7.384 -0.403) 7.395 7.896 ( -5.989 1.553 3.520) 7.118 8.216 ( -3.367 -8.926 3.113) 10.035 8.297 ( 2.532 -3.101 0.238) 4.010 8.476 ( 3.406 2.786 -2.807) 5.220 8.621 ( -0.534 -3.638 -2.480) 4.435 8.672 ( 9.230 0.485 -3.830) 10.005 8.808 ( 10.098 3.224 -0.386) 10.608 8.980 ( 4.266 -25.811 1.431) 26.201 9.150 ( -4.613 -11.521 0.665) 12.428 9.272 ( -6.782 4.466 5.929) 10.054 9.414 ( 6.926 -1.007 2.327) 7.375 9.597 ( 7.117 1.074 -4.868) 8.689 9.646 ( -0.244 -6.238 -3.577) 7.194 9.959 ( -7.299 -5.979 2.108) 9.668 10.107 ( -7.181 -6.706 -3.340) 10.377 10.187 ( 10.095 0.756 0.209) 10.125 10.276 ( 6.253 16.238 0.054) 17.400 10.397 ( -1.775 -0.100 -0.257) 1.796 10.469 ( 11.749 6.050 -0.511) 13.225 10.706 ( 3.490 7.163 -1.120) 8.047 10.962 ( -8.161 7.244 5.668) 12.297 11.159 ( -4.683 4.674 -3.105) 7.308 11.470 ( -15.175 1.587 5.307) 16.154 11.559 ( -3.357 3.190 2.098) 5.084 11.684 ( -9.642 -0.694 -4.814) 10.799 12.230 ( -10.603 -3.186 2.020) 11.254 12.329 ( -1.246 -0.337 5.088) 5.249 12.368 ( 2.203 2.573 4.816) 5.887 12.547 ( 7.540 3.973 1.173) 8.603 12.772 ( -11.426 -4.081 -5.408) 13.284 12.974 ( 14.765 -0.573 -4.645) 15.489 13.050 ( 17.833 -0.746 -7.336) 19.298 13.096 ( -10.067 1.232 -0.808) 10.174 13.161 ( 0.370 3.460 -1.979) 4.003 14.086 ( -4.449 -2.875 3.168) 6.172 14.214 ( 4.809 -3.414 2.756) 6.510 14.265 ( 3.170 -1.380 0.659) 3.520 14.666 ( 0.853 -2.368 2.408) 3.483 14.778 ( -4.945 2.741 -0.791) 5.709 14.817 ( 1.100 1.900 -0.278) 2.213 14.864 ( -6.457 7.285 -1.381) 9.832 14.954 ( 4.344 -2.966 3.837) 6.511 15.218 ( -4.757 -8.318 7.955) 12.454 15.314 ( -2.637 -2.820 -7.587) 8.513 15.376 ( 3.037 0.265 -0.012) 3.049 15.515 ( -8.335 1.725 2.031) 8.751 15.551 ( 1.764 0.974 -0.084) 2.017 15.720 ( -0.468 -3.787 0.573) 3.859 15.825 ( -3.087 -2.525 1.118) 4.142 16.073 ( -6.274 0.220 -1.370) 6.425 16.090 ( 0.393 0.731 1.085) 1.366 16.170 ( -1.978 -1.087 -3.261) 3.965 16.270 ( 0.855 2.928 1.399) 3.356 16.612 ( -3.751 -0.907 -1.249) 4.056 16.688 ( -4.138 5.021 3.914) 7.593 16.930 ( -2.421 -7.442 0.885) 7.876 17.001 ( 6.218 4.195 -5.818) 9.492 17.036 ( 3.350 -0.262 -2.568) 4.229 17.152 ( 3.065 3.567 1.581) 4.962 17.301 ( -5.272 -0.964 -2.803) 6.048 17.402 ( 1.556 5.812 -6.528) 8.878 17.988 ( 4.187 0.708 5.868) 7.243 18.037 ( 1.295 -11.473 1.235) 11.611 18.074 ( -14.084 3.143 4.091) 14.999 18.369 ( -1.046 1.177 -1.234) 2.001 18.505 ( 2.310 1.060 -0.608) 2.613 19.052 ( -0.865 15.693 6.405) 16.971 19.602 ( 7.562 5.829 -8.767) 12.963 20.114 ( 11.482 2.970 18.787) 22.218 21.007 ( 17.032 -1.256 -17.944) 24.772 21.129 ( 13.340 -6.671 -2.253) 15.085 21.261 ( 12.345 -2.623 -6.807) 14.339 22.685 ( -7.278 -13.076 7.969) 16.954 ======================= Grid point 58 (47/72) ======================= q-point: ( 0.16 -0.41 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -9.661 -0.000 2.858) 10.075 2.248 ( -0.718 0.000 2.923) 3.009 2.637 ( 4.339 0.000 4.051) 5.936 2.755 ( -3.278 -0.000 -4.524) 5.586 2.999 ( 4.770 0.000 -0.815) 4.839 3.160 ( 2.900 0.000 1.168) 3.127 3.284 ( 8.327 0.000 2.762) 8.773 3.424 ( -6.215 -0.000 1.652) 6.431 3.595 ( -22.205 -0.000 0.216) 22.206 3.646 ( 1.325 0.000 14.278) 14.339 4.139 ( -0.612 -0.000 -0.722) 0.947 4.404 ( 18.563 0.000 -6.482) 19.663 4.552 ( 3.858 -0.000 -19.412) 19.791 4.932 ( -10.697 -0.000 1.564) 10.811 5.063 ( -9.195 0.000 4.033) 10.040 5.407 ( 3.371 0.000 9.504) 10.084 6.011 ( 0.262 -0.000 -0.422) 0.497 6.631 ( -2.909 -0.000 -6.322) 6.959 6.842 ( -2.038 0.000 0.938) 2.244 6.947 ( 3.049 0.000 2.208) 3.764 6.960 ( 2.768 0.000 2.124) 3.489 7.021 ( 14.549 0.000 -3.682) 15.007 7.164 ( -2.425 -0.000 -2.056) 3.179 7.265 ( -3.585 0.000 5.492) 6.559 7.398 ( 3.806 -0.000 -6.872) 7.855 7.529 ( 4.137 0.000 4.348) 6.002 7.803 ( -4.737 0.000 6.069) 7.699 8.353 ( -2.009 -0.000 -6.354) 6.664 8.354 ( -0.475 -0.000 -11.686) 11.696 8.448 ( 4.010 0.000 4.050) 5.700 8.564 ( -5.749 0.000 5.456) 7.926 8.829 ( 5.614 -0.000 -3.030) 6.380 8.911 ( -3.571 -0.000 -11.187) 11.743 9.062 ( -3.624 0.000 5.273) 6.398 9.279 ( -1.002 -0.000 0.345) 1.060 9.296 ( -4.556 -0.000 -4.469) 6.382 9.566 ( 13.855 0.000 10.806) 17.571 9.706 ( 7.783 0.000 1.359) 7.901 9.707 ( -4.263 0.000 4.365) 6.101 9.932 ( -7.323 -0.000 0.333) 7.331 10.037 ( 10.024 0.000 -0.031) 10.024 10.232 ( -8.461 -0.000 -0.453) 8.473 10.273 ( 3.167 -0.000 -10.784) 11.240 10.473 ( -5.547 -0.000 2.402) 6.045 10.497 ( -2.704 -0.000 -0.154) 2.708 10.780 ( 10.112 0.000 4.142) 10.928 10.877 ( 12.678 0.000 4.689) 13.518 10.998 ( 5.026 -0.000 -5.090) 7.153 11.224 ( 1.027 0.000 4.338) 4.458 11.362 ( -20.337 -0.000 -6.909) 21.479 11.476 ( -2.545 0.000 1.109) 2.776 12.098 ( -5.497 0.000 3.865) 6.720 12.337 ( -2.637 0.000 3.552) 4.424 12.409 ( 4.424 0.000 2.708) 5.187 12.538 ( -3.357 -0.000 -4.136) 5.327 12.607 ( -19.582 -0.000 0.160) 19.583 12.852 ( 9.208 0.000 -0.516) 9.223 13.182 ( 3.408 -0.000 -1.787) 3.849 13.324 ( 12.137 0.000 -1.594) 12.241 13.519 ( 20.684 0.000 -4.782) 21.230 14.027 ( -3.444 0.000 1.938) 3.952 14.246 ( -14.942 -0.000 3.210) 15.282 14.258 ( 0.678 0.000 0.819) 1.063 14.605 ( -5.902 -0.000 -1.676) 6.135 14.613 ( -0.738 -0.000 -0.219) 0.770 14.748 ( 3.087 -0.000 -6.194) 6.920 14.903 ( 6.331 0.000 -0.054) 6.331 15.003 ( -10.420 -0.000 0.041) 10.420 15.240 ( -2.027 0.000 8.793) 9.024 15.324 ( 3.129 0.000 -0.842) 3.240 15.371 ( -7.520 0.000 7.395) 10.547 15.417 ( 2.618 0.000 0.492) 2.664 15.511 ( 0.357 0.000 1.317) 1.365 15.710 ( -3.212 -0.000 -4.881) 5.843 15.758 ( -1.583 0.000 2.452) 2.918 15.903 ( -5.241 -0.000 -2.340) 5.739 16.109 ( -0.806 0.000 0.777) 1.119 16.228 ( -0.185 -0.000 -2.858) 2.864 16.411 ( 3.986 -0.000 -2.158) 4.533 16.469 ( -1.893 0.000 6.516) 6.785 16.679 ( 4.205 0.000 6.217) 7.505 16.969 ( 1.023 -0.000 -15.056) 15.091 17.024 ( -0.021 -0.000 -5.055) 5.055 17.129 ( 4.930 0.000 2.755) 5.648 17.214 ( 3.037 0.000 2.497) 3.932 17.232 ( 0.825 -0.000 -2.297) 2.440 17.403 ( -3.418 -0.000 -0.019) 3.418 17.658 ( -1.401 0.000 2.684) 3.028 18.095 ( 2.015 0.000 1.581) 2.561 18.223 ( -1.609 -0.000 -0.234) 1.626 18.280 ( -5.103 -0.000 -2.684) 5.765 18.564 ( 1.714 0.000 0.509) 1.788 18.737 ( -6.623 0.000 3.595) 7.536 19.658 ( 3.439 -0.000 -6.797) 7.618 20.231 ( 4.392 0.000 20.631) 21.093 21.193 ( 3.524 -0.000 -19.368) 19.686 21.470 ( 12.663 0.000 2.116) 12.839 21.649 ( 15.435 0.000 -4.558) 16.094 22.690 ( -7.560 0.000 5.951) 9.621 ======================= Grid point 59 (48/72) ======================= q-point: (-0.17 0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 -34.479 -0.000) 34.479 1.510 ( 0.000 -28.709 -0.000) 28.709 2.227 ( 0.000 -8.834 -0.000) 8.834 2.362 ( 0.000 -39.581 -0.000) 39.581 2.559 ( 0.000 -15.025 -0.000) 15.025 2.845 ( -0.000 1.832 0.000) 1.832 2.983 ( -0.000 5.112 0.000) 5.112 3.340 ( -0.000 0.184 0.000) 0.184 3.693 ( 0.000 -2.296 -0.000) 2.296 3.714 ( 0.000 -12.988 -0.000) 12.988 3.948 ( 0.000 -4.213 -0.000) 4.213 4.418 ( -0.000 21.552 0.000) 21.552 4.528 ( 0.000 -3.324 -0.000) 3.324 5.326 ( -0.000 3.230 0.000) 3.230 5.349 ( 0.000 -10.831 -0.000) 10.831 5.507 ( 0.000 -10.125 -0.000) 10.125 5.998 ( -0.000 32.610 0.000) 32.610 6.022 ( -0.000 8.444 0.000) 8.444 6.725 ( 0.000 -4.787 -0.000) 4.787 6.868 ( -0.000 5.343 0.000) 5.343 7.125 ( -0.000 1.628 0.000) 1.628 7.324 ( 0.000 -6.138 -0.000) 6.138 7.442 ( 0.000 -1.314 -0.000) 1.314 7.611 ( -0.000 18.338 0.000) 18.338 7.689 ( 0.000 -13.601 -0.000) 13.601 7.862 ( 0.000 -0.400 -0.000) 0.400 8.029 ( -0.000 4.837 0.000) 4.837 8.044 ( -0.000 1.512 0.000) 1.512 8.196 ( -0.000 19.413 0.000) 19.413 8.270 ( -0.000 7.280 0.000) 7.280 8.366 ( -0.000 0.268 0.000) 0.268 8.512 ( 0.000 -5.825 -0.000) 5.825 8.579 ( -0.000 0.596 0.000) 0.596 8.684 ( -0.000 10.939 0.000) 10.939 8.981 ( 0.000 -4.424 -0.000) 4.424 8.991 ( 0.000 -5.929 -0.000) 5.929 9.500 ( -0.000 6.526 0.000) 6.526 9.503 ( -0.000 0.462 0.000) 0.462 9.540 ( -0.000 4.982 0.000) 4.982 9.753 ( -0.000 2.153 0.000) 2.153 9.952 ( 0.000 -16.707 -0.000) 16.707 10.052 ( -0.000 11.520 0.000) 11.520 10.223 ( -0.000 0.759 0.000) 0.759 10.577 ( 0.000 -5.247 -0.000) 5.247 10.874 ( -0.000 6.521 0.000) 6.521 10.886 ( 0.000 -14.078 -0.000) 14.078 11.082 ( -0.000 2.751 0.000) 2.751 11.089 ( -0.000 0.648 0.000) 0.648 11.388 ( 0.000 -18.607 -0.000) 18.607 11.749 ( -0.000 1.590 0.000) 1.590 11.842 ( 0.000 -8.207 -0.000) 8.207 12.108 ( 0.000 -2.416 -0.000) 2.416 12.329 ( 0.000 -1.302 -0.000) 1.302 12.437 ( -0.000 5.131 0.000) 5.131 12.619 ( -0.000 7.823 0.000) 7.823 12.823 ( 0.000 -6.750 -0.000) 6.750 13.145 ( 0.000 -5.364 -0.000) 5.364 13.203 ( -0.000 9.209 0.000) 9.209 13.213 ( 0.000 -2.206 -0.000) 2.206 13.623 ( -0.000 8.596 0.000) 8.596 13.693 ( -0.000 8.899 0.000) 8.899 14.000 ( 0.000 -4.148 -0.000) 4.148 14.155 ( 0.000 -2.817 -0.000) 2.817 14.300 ( -0.000 3.866 0.000) 3.866 14.483 ( 0.000 -2.678 -0.000) 2.678 14.758 ( 0.000 -1.755 -0.000) 1.755 14.940 ( -0.000 0.039 0.000) 0.039 15.194 ( 0.000 -0.151 -0.000) 0.151 15.289 ( -0.000 0.179 0.000) 0.179 15.393 ( 0.000 -1.743 -0.000) 1.743 15.393 ( -0.000 1.266 0.000) 1.266 15.520 ( 0.000 -2.892 -0.000) 2.892 15.689 ( 0.000 -1.874 -0.000) 1.874 15.753 ( -0.000 2.375 0.000) 2.375 16.045 ( 0.000 -1.757 -0.000) 1.757 16.149 ( -0.000 1.917 0.000) 1.917 16.271 ( 0.000 -8.193 -0.000) 8.193 16.283 ( 0.000 -3.341 -0.000) 3.341 16.458 ( 0.000 -2.073 -0.000) 2.073 16.589 ( -0.000 15.752 0.000) 15.752 16.629 ( 0.000 -0.215 -0.000) 0.215 16.654 ( 0.000 -1.679 -0.000) 1.679 17.025 ( 0.000 -1.639 -0.000) 1.639 17.201 ( -0.000 2.488 0.000) 2.488 17.227 ( 0.000 -3.256 -0.000) 3.256 17.246 ( 0.000 -1.821 -0.000) 1.821 17.596 ( -0.000 1.353 0.000) 1.353 17.920 ( -0.000 11.850 0.000) 11.850 18.019 ( 0.000 -10.090 -0.000) 10.090 18.163 ( -0.000 5.744 0.000) 5.744 18.282 ( 0.000 -16.863 -0.000) 16.863 18.309 ( 0.000 -7.035 -0.000) 7.035 18.636 ( 0.000 -2.446 -0.000) 2.446 19.171 ( 0.000 -3.678 -0.000) 3.678 20.308 ( 0.000 -2.348 -0.000) 2.348 20.616 ( -0.000 2.964 0.000) 2.964 21.351 ( -0.000 18.177 0.000) 18.177 21.592 ( -0.000 15.992 0.000) 15.992 21.915 ( 0.000 -11.657 -0.000) 11.657 ======================= Grid point 60 (49/72) ======================= q-point: ( 0.33 0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.000 10.292 33.794) 35.326 1.765 ( -0.000 8.243 25.128) 26.445 1.985 ( -0.000 14.726 11.690) 18.802 2.306 ( -0.000 1.511 -0.184) 1.522 2.672 ( -0.000 3.336 11.162) 11.650 2.894 ( -0.000 15.975 31.080) 34.945 3.089 ( 0.000 -0.833 7.793) 7.837 3.273 ( 0.000 -5.546 -12.944) 14.082 3.636 ( -0.000 -0.709 -5.840) 5.883 3.687 ( -0.000 4.079 1.845) 4.477 4.107 ( -0.000 10.993 2.938) 11.379 4.413 ( -0.000 5.393 12.165) 13.307 4.638 ( 0.000 -9.452 -10.364) 14.027 5.061 ( -0.000 0.288 -8.164) 8.169 5.229 ( 0.000 -2.404 -3.486) 4.235 5.427 ( 0.000 -3.113 1.400) 3.414 6.276 ( -0.000 6.983 -5.057) 8.622 6.607 ( -0.000 3.639 -8.325) 9.086 6.715 ( 0.000 -20.206 -0.488) 20.212 6.758 ( 0.000 -4.875 8.298) 9.625 6.865 ( 0.000 -6.545 -13.064) 14.612 7.186 ( -0.000 6.704 -9.094) 11.298 7.335 ( -0.000 1.908 -2.411) 3.075 7.442 ( -0.000 2.465 -1.698) 2.993 7.596 ( -0.000 2.916 -14.363) 14.656 7.843 ( -0.000 8.254 10.000) 12.967 7.909 ( 0.000 -3.237 -1.833) 3.720 7.963 ( 0.000 -4.581 -6.248) 7.747 8.221 ( -0.000 3.618 -2.020) 4.144 8.453 ( 0.000 -10.212 -1.119) 10.273 8.514 ( 0.000 -1.994 2.549) 3.236 8.579 ( -0.000 0.411 -0.187) 0.452 8.625 ( 0.000 -5.375 -2.623) 5.980 8.774 ( 0.000 -4.219 1.174) 4.379 9.147 ( 0.000 -10.812 13.890) 17.602 9.173 ( 0.000 -7.358 3.792) 8.278 9.416 ( 0.000 -6.164 -3.753) 7.217 9.476 ( -0.000 -0.165 -5.272) 5.274 9.554 ( -0.000 -0.311 -3.560) 3.574 9.904 ( -0.000 2.424 -6.463) 6.902 10.093 ( -0.000 6.456 7.232) 9.694 10.185 ( 0.000 -7.201 -7.227) 10.202 10.401 ( 0.000 -0.939 -0.585) 1.106 10.505 ( 0.000 -2.657 3.765) 4.609 10.548 ( -0.000 1.304 6.609) 6.737 10.738 ( -0.000 17.038 -1.144) 17.076 11.022 ( 0.000 -0.233 -0.162) 0.283 11.535 ( -0.000 14.294 -4.020) 14.848 11.555 ( 0.000 -8.713 5.167) 10.130 11.683 ( -0.000 1.861 8.120) 8.331 11.819 ( 0.000 -2.144 4.726) 5.189 11.992 ( -0.000 1.018 0.238) 1.046 12.126 ( -0.000 3.528 -2.850) 4.535 12.334 ( -0.000 2.484 -5.243) 5.801 12.482 ( 0.000 -2.125 -0.864) 2.294 12.801 ( -0.000 -0.439 -12.190) 12.198 12.839 ( -0.000 3.783 4.748) 6.071 13.254 ( -0.000 4.271 -5.847) 7.240 13.359 ( 0.000 -0.840 4.449) 4.528 13.600 ( 0.000 -4.860 -7.594) 9.016 13.824 ( 0.000 -8.593 0.221) 8.596 14.045 ( 0.000 -2.705 7.407) 7.886 14.200 ( -0.000 1.040 3.536) 3.686 14.376 ( -0.000 1.486 0.316) 1.519 14.756 ( 0.000 -1.183 2.866) 3.100 14.933 ( 0.000 -0.155 -0.022) 0.156 14.936 ( 0.000 -7.041 6.382) 9.503 15.198 ( -0.000 0.568 0.476) 0.741 15.240 ( -0.000 4.105 -1.271) 4.298 15.323 ( 0.000 -1.960 -1.897) 2.728 15.334 ( -0.000 4.434 0.823) 4.509 15.464 ( -0.000 1.780 2.184) 2.817 15.629 ( -0.000 -0.214 -4.941) 4.945 15.766 ( 0.000 -14.377 -1.962) 14.510 15.969 ( 0.000 -3.227 -8.374) 8.975 15.994 ( -0.000 1.495 -0.380) 1.542 16.143 ( -0.000 7.995 -0.003) 7.995 16.147 ( 0.000 -0.627 -1.690) 1.803 16.621 ( 0.000 0.013 1.006) 1.006 16.691 ( -0.000 3.559 -10.132) 10.739 16.711 ( 0.000 -0.543 2.768) 2.821 16.844 ( -0.000 1.900 10.125) 10.302 17.023 ( -0.000 3.453 -7.387) 8.154 17.029 ( -0.000 2.065 1.050) 2.317 17.153 ( -0.000 1.698 -1.772) 2.454 17.329 ( 0.000 -5.015 2.279) 5.508 17.746 ( 0.000 -0.703 4.306) 4.363 17.834 ( 0.000 -3.350 -11.484) 11.963 17.877 ( 0.000 -9.173 5.164) 10.527 18.152 ( -0.000 2.297 7.302) 7.655 18.388 ( 0.000 -1.733 3.170) 3.613 18.712 ( -0.000 9.841 14.391) 17.434 18.767 ( 0.000 -2.041 5.263) 5.645 19.302 ( -0.000 10.444 9.321) 13.999 19.558 ( -0.000 8.768 -12.153) 14.986 20.662 ( -0.000 6.355 -6.282) 8.936 20.808 ( -0.000 1.858 -7.908) 8.123 21.347 ( 0.000 -4.336 -13.471) 14.152 22.606 ( 0.000 -13.723 14.324) 19.837 ======================= Grid point 63 (50/72) ======================= q-point: ( 0.18 0.32 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 3.277 0.000 25.768) 25.975 1.786 ( 9.755 0.000 32.179) 33.625 1.890 ( 13.061 0.000 15.402) 20.194 2.446 ( 13.653 0.000 -0.002) 13.653 2.662 ( 3.107 0.000 0.887) 3.231 2.854 ( 9.335 0.000 26.648) 28.236 3.232 ( 14.110 0.000 19.700) 24.232 3.346 ( -0.558 -0.000 -7.897) 7.917 3.425 ( -10.494 -0.000 -3.638) 11.107 3.826 ( 5.224 -0.000 -2.635) 5.851 3.978 ( 1.252 0.000 9.874) 9.953 4.342 ( 1.378 0.000 3.113) 3.404 4.732 ( -1.265 -0.000 -12.848) 12.910 5.041 ( -2.688 -0.000 -2.982) 4.015 5.328 ( -2.449 -0.000 -6.243) 6.706 5.336 ( -5.443 0.000 3.510) 6.476 6.099 ( -1.597 -0.000 -7.670) 7.834 6.601 ( 1.357 0.000 0.217) 1.375 6.795 ( -2.921 0.000 5.939) 6.619 6.962 ( -0.807 -0.000 -6.732) 6.780 6.985 ( 2.735 -0.000 -12.316) 12.616 7.025 ( -5.365 -0.000 -7.751) 9.427 7.356 ( 3.320 -0.000 -4.827) 5.859 7.404 ( -1.779 -0.000 -3.964) 4.345 7.564 ( 0.068 -0.000 -11.163) 11.163 7.616 ( -16.278 -0.000 0.540) 16.287 7.725 ( -2.167 0.000 8.780) 9.043 8.208 ( 3.512 0.000 1.109) 3.683 8.342 ( 13.891 0.000 -0.557) 13.902 8.401 ( -2.984 -0.000 -0.076) 2.985 8.532 ( -1.783 -0.000 -0.822) 1.963 8.601 ( 5.423 -0.000 -2.390) 5.927 8.799 ( 4.289 -0.000 -5.689) 7.124 8.982 ( 12.049 0.000 6.189) 13.546 9.309 ( -4.622 0.000 2.229) 5.131 9.318 ( -2.490 0.000 16.212) 16.402 9.427 ( 9.569 0.000 -0.851) 9.607 9.531 ( -0.026 -0.000 -7.382) 7.382 9.717 ( 1.285 0.000 0.149) 1.294 9.876 ( 11.656 0.000 -1.500) 11.753 10.062 ( 10.327 -0.000 -8.650) 13.472 10.122 ( -13.126 0.000 8.696) 15.746 10.160 ( -13.823 -0.000 -7.448) 15.702 10.453 ( 0.252 -0.000 -2.303) 2.317 10.589 ( -2.993 -0.000 1.080) 3.182 10.799 ( 1.544 0.000 2.813) 3.209 10.834 ( -8.915 -0.000 -6.266) 10.897 11.251 ( -9.638 -0.000 4.166) 10.500 11.485 ( -6.233 0.000 8.546) 10.578 11.554 ( -10.219 0.000 11.162) 15.133 11.872 ( 0.455 -0.000 -2.805) 2.841 12.081 ( 8.833 0.000 3.505) 9.503 12.125 ( 2.267 -0.000 -1.055) 2.500 12.341 ( 6.064 0.000 -1.882) 6.349 12.593 ( -8.756 -0.000 0.753) 8.788 12.744 ( 9.928 -0.000 -4.443) 10.877 12.937 ( 11.171 -0.000 -11.329) 15.910 13.184 ( -1.618 -0.000 -6.674) 6.868 13.242 ( -11.602 0.000 5.375) 12.786 13.436 ( -17.170 -0.000 -6.992) 18.540 14.051 ( -2.218 0.000 6.314) 6.693 14.052 ( 10.755 0.000 2.537) 11.050 14.216 ( 1.339 0.000 0.583) 1.460 14.496 ( 11.691 0.000 2.034) 11.867 14.746 ( -1.810 0.000 4.617) 4.959 14.889 ( -10.316 -0.000 2.050) 10.517 14.934 ( -6.830 -0.000 0.177) 6.832 15.025 ( -6.638 -0.000 1.193) 6.745 15.148 ( 1.085 0.000 4.326) 4.460 15.261 ( 0.031 0.000 1.915) 1.915 15.426 ( -1.397 0.000 3.624) 3.884 15.443 ( 7.466 -0.000 -3.748) 8.355 15.644 ( -1.965 -0.000 0.059) 1.966 15.914 ( -3.853 0.000 1.877) 4.286 15.961 ( -6.610 -0.000 -9.821) 11.839 15.991 ( 0.586 0.000 -0.093) 0.593 16.157 ( 1.601 0.000 -0.026) 1.601 16.339 ( 4.451 -0.000 -5.742) 7.265 16.368 ( -6.179 -0.000 -9.086) 10.988 16.534 ( -4.715 -0.000 -0.001) 4.715 16.826 ( 10.485 0.000 -1.261) 10.561 16.887 ( -6.390 -0.000 -9.215) 11.214 16.951 ( 1.951 0.000 8.396) 8.620 16.976 ( -0.650 -0.000 -0.694) 0.951 17.144 ( 0.911 -0.000 -4.095) 4.195 17.434 ( 0.746 0.000 3.862) 3.934 17.644 ( -15.428 -0.000 -3.724) 15.871 17.804 ( 2.929 0.000 3.320) 4.428 18.048 ( 4.142 0.000 6.636) 7.822 18.133 ( -3.506 0.000 3.051) 4.648 18.422 ( -9.396 0.000 8.008) 12.345 18.488 ( 1.745 -0.000 -1.303) 2.178 18.672 ( -1.566 0.000 7.814) 7.970 19.324 ( 17.402 0.000 4.028) 17.862 19.699 ( 12.547 0.000 -4.550) 13.346 20.820 ( 16.183 0.000 -4.012) 16.673 20.989 ( 22.690 -0.000 -9.978) 24.787 21.434 ( 2.738 -0.000 -15.153) 15.399 22.730 ( -3.681 0.000 12.284) 12.824 ======================= Grid point 64 (51/72) ======================= q-point: (-0.32 0.32 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 11.062 -13.057 -0.000) 17.113 2.238 ( 4.819 -23.258 -0.000) 23.752 2.262 ( 1.634 2.981 0.000) 3.400 2.621 ( -13.381 -16.299 -0.000) 21.088 2.809 ( -2.293 1.783 0.000) 2.905 2.840 ( 4.279 1.540 -0.000) 4.548 3.294 ( 10.811 -10.230 -0.000) 14.884 3.406 ( 1.080 -7.023 -0.000) 7.106 3.718 ( -12.586 23.439 0.000) 26.604 3.742 ( 7.339 -0.842 -0.000) 7.387 4.118 ( -1.454 -14.632 -0.000) 14.704 4.414 ( 15.226 21.894 0.000) 26.668 4.552 ( 19.322 -30.505 -0.000) 36.109 5.145 ( -11.215 18.447 0.000) 21.588 5.284 ( -3.122 -2.741 -0.000) 4.155 5.558 ( -17.913 -5.744 0.000) 18.811 5.964 ( 0.565 -13.435 -0.000) 13.447 6.107 ( 20.335 -2.060 -0.000) 20.439 6.429 ( 2.914 25.515 0.000) 25.681 6.779 ( -4.346 -3.920 -0.000) 5.853 7.169 ( 5.139 2.596 -0.000) 5.758 7.283 ( -2.637 -0.223 0.000) 2.646 7.368 ( -9.617 -1.837 0.000) 9.791 7.460 ( -9.179 16.923 0.000) 19.251 7.474 ( 0.916 3.570 0.000) 3.686 7.829 ( 4.522 18.715 0.000) 19.253 7.962 ( 4.388 -10.307 -0.000) 11.202 7.999 ( -3.748 -2.869 -0.000) 4.720 8.198 ( -0.505 -10.400 -0.000) 10.412 8.284 ( 4.742 -4.627 -0.000) 6.625 8.333 ( -5.049 6.039 0.000) 7.872 8.405 ( 7.276 3.679 -0.000) 8.153 8.616 ( 2.139 -1.906 -0.000) 2.865 8.727 ( 4.918 -3.387 -0.000) 5.972 8.996 ( 1.130 3.686 0.000) 3.855 9.139 ( -3.733 -2.972 -0.000) 4.771 9.370 ( -2.000 -4.695 -0.000) 5.103 9.501 ( 3.667 1.792 -0.000) 4.081 9.618 ( 6.291 -0.192 -0.000) 6.294 9.835 ( 6.261 7.647 0.000) 9.883 9.949 ( 13.409 -0.778 -0.000) 13.431 10.126 ( -7.717 4.204 0.000) 8.788 10.306 ( -0.283 -13.117 -0.000) 13.121 10.622 ( -7.265 4.760 0.000) 8.685 10.654 ( 0.721 -2.698 -0.000) 2.793 10.904 ( -7.179 1.995 0.000) 7.451 11.156 ( 4.705 5.328 0.000) 7.108 11.156 ( 0.619 -8.893 -0.000) 8.915 11.636 ( -4.967 -7.416 -0.000) 8.926 11.727 ( -0.648 -0.793 -0.000) 1.024 11.897 ( -5.145 4.192 0.000) 6.637 12.194 ( -4.202 -1.119 0.000) 4.349 12.276 ( 7.123 -7.349 -0.000) 10.234 12.430 ( 8.614 1.664 -0.000) 8.773 12.688 ( 18.607 8.504 -0.000) 20.458 12.725 ( -14.331 0.246 0.000) 14.334 13.001 ( -19.332 5.069 0.000) 19.986 13.068 ( -3.690 5.099 0.000) 6.294 13.160 ( -5.997 -2.786 0.000) 6.612 13.506 ( 1.039 10.141 0.000) 10.194 13.630 ( 10.133 -6.423 -0.000) 11.997 14.131 ( -2.808 -7.439 -0.000) 7.952 14.235 ( 0.253 1.325 0.000) 1.348 14.284 ( 3.429 -6.765 -0.000) 7.584 14.608 ( 6.319 -2.418 -0.000) 6.766 14.855 ( 7.920 -0.351 -0.000) 7.928 14.958 ( 0.759 1.333 0.000) 1.534 15.063 ( -8.446 -0.549 0.000) 8.464 15.358 ( -0.502 2.371 0.000) 2.424 15.378 ( 2.335 2.650 0.000) 3.531 15.399 ( -3.003 -2.015 -0.000) 3.617 15.512 ( -11.749 5.620 0.000) 13.024 15.600 ( 3.372 -4.442 -0.000) 5.577 15.670 ( 0.327 1.227 0.000) 1.270 16.049 ( -3.732 8.778 0.000) 9.538 16.119 ( 2.024 0.005 -0.000) 2.024 16.143 ( 1.282 8.241 0.000) 8.340 16.342 ( -15.158 -5.734 0.000) 16.206 16.450 ( -2.415 -3.763 -0.000) 4.472 16.540 ( 0.748 -5.419 -0.000) 5.471 16.640 ( -3.357 -5.960 -0.000) 6.841 16.765 ( 5.566 -0.808 -0.000) 5.624 17.002 ( -2.556 -0.856 0.000) 2.696 17.175 ( 1.481 1.103 0.000) 1.847 17.235 ( -1.770 -1.821 -0.000) 2.539 17.382 ( -15.513 7.113 0.000) 17.066 17.406 ( 13.150 2.029 -0.000) 13.306 17.697 ( 3.665 1.816 -0.000) 4.090 18.034 ( -0.800 2.997 0.000) 3.102 18.207 ( 0.293 -6.408 -0.000) 6.414 18.436 ( -3.926 4.388 0.000) 5.888 18.544 ( -5.575 -7.013 -0.000) 8.958 18.878 ( 16.590 -17.359 -0.000) 24.012 19.524 ( 16.936 -2.382 -0.000) 17.103 20.402 ( 7.764 2.889 -0.000) 8.284 20.573 ( 7.317 7.390 0.000) 10.400 21.053 ( 9.261 14.834 0.000) 17.488 21.218 ( -1.760 14.914 0.000) 15.017 22.171 ( -5.717 -16.848 -0.000) 17.791 ======================= Grid point 67 (52/72) ======================= q-point: (-0.48 0.48 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 1.982 5.754 0.000) 6.086 2.448 ( 12.627 -1.073 -0.000) 12.673 2.545 ( -1.237 -6.371 -0.000) 6.490 2.586 ( -3.146 5.905 0.000) 6.691 2.904 ( -7.832 -20.437 -0.000) 21.887 2.907 ( 2.437 1.495 0.000) 2.859 3.298 ( 3.501 0.484 -0.000) 3.535 3.460 ( -6.791 -7.207 -0.000) 9.902 3.707 ( 6.339 -7.388 -0.000) 9.735 3.967 ( 0.614 -0.252 -0.000) 0.664 4.104 ( 5.343 24.892 0.000) 25.459 4.285 ( 2.730 0.276 -0.000) 2.744 4.748 ( 5.922 13.593 0.000) 14.827 4.834 ( -11.847 14.347 0.000) 18.606 5.280 ( -0.325 -5.157 -0.000) 5.167 5.568 ( 2.406 -15.896 -0.000) 16.077 6.147 ( -3.040 -8.239 -0.000) 8.782 6.398 ( 11.085 -3.704 -0.000) 11.687 6.523 ( 7.703 -0.503 -0.000) 7.720 6.713 ( -2.356 3.208 0.000) 3.981 6.847 ( -3.052 6.933 0.000) 7.575 7.204 ( -3.771 0.029 0.000) 3.771 7.262 ( 3.834 2.635 0.000) 4.652 7.366 ( 1.773 9.705 0.000) 9.865 7.435 ( 1.373 -2.464 -0.000) 2.821 7.643 ( 2.098 1.464 0.000) 2.558 7.952 ( -6.785 -1.605 0.000) 6.972 8.162 ( -7.346 0.033 0.000) 7.346 8.233 ( -0.393 -1.117 -0.000) 1.184 8.444 ( 0.629 -1.715 -0.000) 1.826 8.447 ( 7.580 -18.739 -0.000) 20.214 8.555 ( 5.224 -1.852 -0.000) 5.542 8.686 ( 11.169 5.008 -0.000) 12.240 8.894 ( -6.371 -10.385 -0.000) 12.184 8.955 ( 6.283 5.875 0.000) 8.602 9.199 ( 1.700 -11.684 -0.000) 11.807 9.533 ( 4.931 -2.598 -0.000) 5.573 9.538 ( 0.476 -0.591 -0.000) 0.759 9.690 ( -5.814 -6.440 -0.000) 8.676 9.724 ( 5.224 15.921 0.000) 16.756 9.975 ( -8.367 -5.672 -0.000) 10.108 10.211 ( 12.096 -0.004 -0.000) 12.096 10.392 ( -1.735 0.188 0.000) 1.745 10.473 ( 7.782 4.672 0.000) 9.076 10.704 ( -1.328 9.181 0.000) 9.277 10.796 ( 5.247 -1.801 -0.000) 5.547 11.145 ( 6.764 3.791 0.000) 7.754 11.189 ( -4.483 4.276 0.000) 6.195 11.578 ( -14.693 2.328 0.000) 14.876 11.590 ( -9.449 -2.834 0.000) 9.865 11.683 ( -1.781 5.972 0.000) 6.232 12.146 ( -12.339 -4.254 0.000) 13.052 12.396 ( -9.068 -1.989 0.000) 9.284 12.484 ( -3.826 1.824 0.000) 4.238 12.606 ( -12.831 -0.156 0.000) 12.832 12.717 ( 14.794 6.424 -0.000) 16.129 12.868 ( 7.870 -6.003 -0.000) 9.898 12.971 ( 21.976 3.426 -0.000) 22.242 13.104 ( -4.278 1.575 0.000) 4.558 13.281 ( -3.471 8.142 0.000) 8.851 13.965 ( -0.283 -9.301 -0.000) 9.305 14.205 ( 3.429 -2.137 -0.000) 4.041 14.252 ( 2.516 0.301 -0.000) 2.534 14.565 ( 0.121 -13.123 -0.000) 13.123 14.749 ( 2.806 1.556 0.000) 3.208 14.897 ( -5.818 0.301 0.000) 5.825 14.920 ( -2.787 1.252 0.000) 3.055 15.041 ( 8.353 5.085 0.000) 9.779 15.161 ( -8.657 -3.483 0.000) 9.332 15.177 ( -7.177 2.546 0.000) 7.615 15.407 ( 2.844 0.553 -0.000) 2.897 15.419 ( -0.406 -2.315 -0.000) 2.350 15.681 ( 1.057 -0.113 -0.000) 1.063 15.705 ( -3.248 6.378 0.000) 7.158 15.813 ( 1.845 -1.293 -0.000) 2.253 16.023 ( -15.532 -1.973 0.000) 15.657 16.141 ( 3.813 0.875 -0.000) 3.912 16.166 ( -2.145 0.904 0.000) 2.327 16.349 ( -10.302 1.979 0.000) 10.491 16.583 ( -1.038 0.275 0.000) 1.073 16.712 ( -3.303 -8.948 -0.000) 9.538 16.883 ( -0.791 -0.027 0.000) 0.791 16.971 ( 0.320 2.639 0.000) 2.658 16.998 ( -2.909 0.462 0.000) 2.945 17.238 ( 5.805 2.229 -0.000) 6.218 17.250 ( -1.945 -0.981 0.000) 2.179 17.547 ( 8.610 9.763 0.000) 13.018 17.830 ( 2.745 -6.333 -0.000) 6.902 18.047 ( -2.422 -4.227 -0.000) 4.872 18.147 ( -3.497 5.344 0.000) 6.387 18.294 ( -2.142 -3.388 -0.000) 4.009 18.602 ( 0.434 1.970 0.000) 2.017 19.365 ( 6.262 3.214 -0.000) 7.038 19.668 ( 8.818 9.876 0.000) 13.240 20.476 ( 11.142 4.091 -0.000) 11.870 20.704 ( 13.442 1.159 -0.000) 13.492 21.074 ( 5.727 -2.131 -0.000) 6.111 21.109 ( 14.392 2.594 -0.000) 14.624 22.413 ( -9.116 -19.008 -0.000) 21.080 ======================= Grid point 72 (53/72) ======================= q-point: ( 0.37 -0.37 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -7.641 15.688 0.000) 17.450 2.351 ( -2.549 5.933 0.000) 6.458 2.576 ( -8.425 -4.375 0.000) 9.493 2.719 ( 10.448 -1.161 -0.000) 10.512 2.957 ( 4.170 -0.672 -0.000) 4.224 3.140 ( -10.995 -16.369 -0.000) 19.719 3.427 ( -11.130 -5.121 0.000) 12.251 3.471 ( 8.582 18.957 0.000) 20.809 3.589 ( -15.567 8.586 0.000) 17.777 3.851 ( 14.103 -13.733 -0.000) 19.685 3.871 ( -12.462 -4.707 0.000) 13.321 4.222 ( 6.935 5.618 0.000) 8.925 4.682 ( 19.899 15.688 0.000) 25.339 4.734 ( -5.077 -7.277 -0.000) 8.873 5.419 ( -10.346 11.992 0.000) 15.838 5.438 ( -4.699 -4.138 -0.000) 6.261 6.071 ( -3.554 3.848 0.000) 5.238 6.574 ( 0.780 0.191 -0.000) 0.803 6.774 ( 6.721 -8.735 -0.000) 11.022 6.789 ( 0.719 -6.227 -0.000) 6.269 6.921 ( 11.789 -3.058 -0.000) 12.179 7.018 ( -8.489 -2.360 0.000) 8.811 7.218 ( 6.949 10.845 0.000) 12.880 7.375 ( 6.687 5.177 0.000) 8.456 7.479 ( 2.216 4.261 0.000) 4.802 7.648 ( 3.954 3.961 0.000) 5.596 7.807 ( -6.199 -2.970 0.000) 6.874 8.198 ( -3.003 1.745 0.000) 3.473 8.243 ( 2.407 -10.680 -0.000) 10.947 8.516 ( -4.621 6.573 0.000) 8.035 8.548 ( -3.094 -10.536 -0.000) 10.981 8.678 ( -10.540 -4.589 0.000) 11.496 8.819 ( 10.048 2.226 -0.000) 10.292 9.007 ( -6.581 -12.140 -0.000) 13.809 9.082 ( -2.632 -4.227 -0.000) 4.980 9.445 ( 2.627 4.614 0.000) 5.310 9.587 ( 12.470 -13.556 -0.000) 18.420 9.657 ( 1.559 -12.572 -0.000) 12.668 9.715 ( -11.333 -9.657 -0.000) 14.889 9.787 ( 16.700 8.686 -0.000) 18.823 9.808 ( -5.438 1.968 0.000) 5.783 10.334 ( -1.334 0.186 0.000) 1.347 10.444 ( 2.339 -2.638 -0.000) 3.526 10.452 ( 6.023 15.846 0.000) 16.952 10.763 ( -10.383 19.177 0.000) 21.807 10.806 ( 6.920 -4.870 -0.000) 8.461 10.958 ( 22.876 6.729 -0.000) 23.845 11.113 ( -2.332 9.458 0.000) 9.742 11.263 ( 2.320 -1.235 -0.000) 2.628 11.294 ( -22.344 2.146 0.000) 22.447 11.529 ( -2.779 3.689 0.000) 4.619 12.082 ( -2.529 -5.268 -0.000) 5.843 12.230 ( -17.102 -10.510 -0.000) 20.073 12.445 ( 0.791 0.252 -0.000) 0.830 12.462 ( 1.999 -0.158 -0.000) 2.006 12.751 ( -17.808 8.709 0.000) 19.824 12.920 ( 14.778 5.553 -0.000) 15.787 13.163 ( 3.599 0.289 -0.000) 3.611 13.309 ( 13.895 0.212 -0.000) 13.896 13.398 ( 19.757 -5.590 -0.000) 20.532 13.979 ( -9.609 -5.806 -0.000) 11.226 14.286 ( 2.070 1.295 0.000) 2.442 14.291 ( -6.064 1.051 0.000) 6.154 14.609 ( -9.541 2.149 0.000) 9.780 14.666 ( 0.394 4.028 0.000) 4.047 14.693 ( -1.229 0.327 0.000) 1.272 14.918 ( -1.241 -0.470 0.000) 1.327 14.989 ( -6.196 2.090 0.000) 6.539 15.174 ( 1.833 -11.664 -0.000) 11.807 15.310 ( 2.756 -2.824 -0.000) 3.946 15.420 ( -0.427 1.539 0.000) 1.597 15.458 ( 0.321 -1.501 -0.000) 1.535 15.595 ( 2.097 0.128 -0.000) 2.101 15.630 ( -5.660 3.363 0.000) 6.584 15.814 ( -6.608 -1.006 0.000) 6.684 15.851 ( -1.422 -0.363 0.000) 1.467 16.070 ( -1.899 -3.480 -0.000) 3.964 16.171 ( 2.079 2.702 0.000) 3.409 16.301 ( 1.457 -4.241 -0.000) 4.484 16.585 ( -1.586 -4.609 -0.000) 4.874 16.810 ( -2.840 -2.627 -0.000) 3.869 16.846 ( 5.395 2.059 -0.000) 5.775 16.933 ( 0.408 2.302 0.000) 2.338 17.134 ( 3.719 -4.409 -0.000) 5.768 17.178 ( -3.296 -1.013 0.000) 3.448 17.291 ( 5.218 3.521 0.000) 6.295 17.319 ( 0.300 11.134 0.000) 11.138 17.942 ( -1.898 5.832 0.000) 6.133 18.020 ( -2.689 -9.951 -0.000) 10.307 18.179 ( 5.715 6.221 0.000) 8.448 18.269 ( -5.790 -1.296 0.000) 5.934 18.543 ( 1.275 0.177 -0.000) 1.287 19.011 ( -9.311 17.340 0.000) 19.682 19.639 ( 4.952 5.153 0.000) 7.147 20.604 ( 4.164 0.957 -0.000) 4.273 20.868 ( 6.360 1.992 -0.000) 6.665 21.439 ( 13.754 -4.249 -0.000) 14.396 21.491 ( 15.866 -9.711 -0.000) 18.602 22.596 ( -9.672 -14.122 -0.000) 17.117 ======================= Grid point 74 (54/72) ======================= q-point: ( 0.54 0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 0.000 -1.814 -1.494) 2.350 2.153 ( -0.000 4.121 1.776) 4.488 2.415 ( 0.000 0.649 29.619) 29.626 2.606 ( -0.000 3.219 11.612) 12.050 2.665 ( 0.000 -11.331 0.377) 11.338 3.002 ( -0.000 3.969 -5.444) 6.737 3.273 ( -0.000 2.235 8.882) 9.159 3.464 ( 0.000 -4.156 4.674) 6.254 3.644 ( -0.000 20.743 -4.184) 21.161 3.771 ( 0.000 -3.807 -9.909) 10.615 4.117 ( 0.000 -5.457 -15.460) 16.394 4.466 ( -0.000 4.855 8.137) 9.475 4.735 ( 0.000 -7.263 5.408) 9.055 4.810 ( -0.000 -0.369 -9.247) 9.254 5.207 ( 0.000 -1.654 6.791) 6.989 5.610 ( -0.000 23.331 4.548) 23.770 6.199 ( 0.000 -4.122 -11.493) 12.210 6.250 ( 0.000 -20.864 -2.825) 21.055 6.378 ( 0.000 -14.617 -3.810) 15.105 6.608 ( -0.000 1.143 8.384) 8.462 7.033 ( -0.000 8.820 10.257) 13.528 7.254 ( -0.000 13.668 -3.902) 14.214 7.262 ( -0.000 -0.547 -7.883) 7.902 7.465 ( -0.000 9.644 -11.091) 14.697 7.471 ( -0.000 4.142 -3.202) 5.235 7.768 ( 0.000 -5.274 -7.494) 9.164 7.833 ( -0.000 -0.044 -0.955) 0.956 8.135 ( -0.000 2.522 7.257) 7.682 8.205 ( 0.000 -7.044 5.177) 8.742 8.269 ( -0.000 1.073 0.551) 1.206 8.409 ( 0.000 -10.184 0.247) 10.187 8.496 ( 0.000 -3.796 -5.245) 6.475 8.532 ( 0.000 -0.454 -1.481) 1.549 8.715 ( 0.000 -7.680 9.128) 11.929 9.017 ( 0.000 -2.057 -6.098) 6.435 9.255 ( -0.000 0.513 1.957) 2.023 9.373 ( 0.000 -1.527 6.098) 6.286 9.434 ( -0.000 5.854 1.150) 5.966 9.468 ( 0.000 -0.889 -2.534) 2.685 9.814 ( 0.000 -10.356 -7.951) 13.056 9.914 ( -0.000 1.546 0.255) 1.567 10.272 ( 0.000 -1.609 -8.548) 8.698 10.394 ( -0.000 1.900 10.585) 10.754 10.554 ( 0.000 -0.253 5.048) 5.054 10.669 ( 0.000 -1.735 -0.462) 1.796 11.026 ( 0.000 -0.186 1.347) 1.359 11.030 ( -0.000 11.900 -4.263) 12.640 11.375 ( 0.000 -6.683 -3.027) 7.337 11.721 ( 0.000 -0.477 -1.258) 1.345 11.786 ( 0.000 -3.030 -0.118) 3.032 11.824 ( -0.000 11.538 -0.867) 11.570 12.162 ( 0.000 0.363 7.727) 7.735 12.210 ( -0.000 3.787 2.435) 4.502 12.273 ( -0.000 0.418 0.470) 0.629 12.405 ( 0.000 -3.106 -1.401) 3.407 12.688 ( -0.000 9.893 -6.628) 11.908 13.078 ( -0.000 7.476 5.372) 9.206 13.285 ( 0.000 -8.027 -5.747) 9.872 13.299 ( -0.000 7.832 -2.073) 8.101 13.376 ( 0.000 -1.709 -1.415) 2.219 13.600 ( 0.000 -12.577 0.970) 12.614 14.143 ( 0.000 -2.907 7.481) 8.026 14.260 ( 0.000 -0.638 1.022) 1.205 14.420 ( 0.000 -2.002 2.992) 3.600 14.660 ( 0.000 -9.868 -2.329) 10.139 14.822 ( 0.000 -2.013 -3.893) 4.383 14.934 ( 0.000 -0.087 0.348) 0.359 15.220 ( 0.000 -0.219 -0.458) 0.508 15.281 ( -0.000 0.768 1.212) 1.435 15.283 ( 0.000 -2.268 3.031) 3.786 15.477 ( -0.000 7.881 -0.578) 7.902 15.497 ( 0.000 -0.692 -0.667) 0.961 15.554 ( -0.000 3.970 0.803) 4.051 15.731 ( -0.000 1.652 -8.566) 8.724 15.784 ( -0.000 5.307 2.783) 5.993 16.035 ( -0.000 2.279 0.411) 2.316 16.103 ( 0.000 -0.367 -1.241) 1.294 16.427 ( -0.000 6.907 6.425) 9.433 16.569 ( 0.000 -4.150 0.403) 4.170 16.638 ( 0.000 -0.334 0.744) 0.815 16.725 ( 0.000 -1.881 1.356) 2.319 16.855 ( 0.000 -4.985 -6.951) 8.554 17.075 ( -0.000 5.484 -0.185) 5.487 17.132 ( -0.000 0.503 -0.607) 0.788 17.207 ( -0.000 4.753 5.112) 6.980 17.221 ( 0.000 -2.119 -3.503) 4.094 17.553 ( -0.000 0.280 -10.251) 10.255 17.718 ( 0.000 -8.347 0.975) 8.404 17.844 ( -0.000 3.998 2.939) 4.962 18.249 ( 0.000 -2.810 3.307) 4.339 18.475 ( -0.000 1.460 2.507) 2.901 18.779 ( 0.000 -3.984 2.446) 4.675 18.987 ( 0.000 -6.797 4.086) 7.931 19.401 ( 0.000 -4.989 1.718) 5.277 19.929 ( -0.000 22.435 8.557) 24.011 20.507 ( -0.000 -1.091 -14.893) 14.933 20.751 ( -0.000 7.495 -1.608) 7.665 21.112 ( -0.000 4.209 -8.361) 9.361 22.509 ( 0.000 -18.002 9.796) 20.494 ======================= Grid point 75 (55/72) ======================= q-point: ( 0.21 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -16.547 -0.000 0.000) 16.547 2.215 ( -8.094 -0.000 0.000) 8.094 2.311 ( -23.932 -0.000 0.000) 23.932 2.827 ( -3.239 -0.000 0.000) 3.239 3.013 ( -0.953 -0.000 0.000) 0.953 3.016 ( -23.201 -0.000 0.000) 23.201 3.333 ( -0.046 -0.000 0.000) 0.046 3.337 ( -1.352 -0.000 0.000) 1.352 3.390 ( 11.081 0.000 -0.000) 11.081 3.558 ( -13.474 -0.000 0.000) 13.474 4.198 ( -23.748 -0.000 0.000) 23.748 4.561 ( -1.282 -0.000 0.000) 1.282 4.618 ( 20.181 0.000 -0.000) 20.181 4.849 ( 23.484 0.000 -0.000) 23.484 4.895 ( -12.373 -0.000 0.000) 12.373 5.530 ( -0.041 -0.000 0.000) 0.041 6.018 ( 2.674 0.000 -0.000) 2.674 6.494 ( -3.861 -0.000 0.000) 3.861 6.717 ( -8.890 -0.000 0.000) 8.890 7.017 ( 2.033 0.000 -0.000) 2.033 7.093 ( 5.958 0.000 -0.000) 5.958 7.222 ( 6.890 0.000 -0.000) 6.890 7.253 ( 10.578 0.000 -0.000) 10.578 7.355 ( 0.611 0.000 -0.000) 0.611 7.386 ( 3.479 0.000 -0.000) 3.479 7.707 ( 7.142 0.000 -0.000) 7.142 7.786 ( -7.506 -0.000 0.000) 7.506 8.137 ( 0.318 0.000 -0.000) 0.318 8.153 ( -8.014 -0.000 0.000) 8.014 8.513 ( -7.956 -0.000 0.000) 7.956 8.521 ( 0.283 0.000 -0.000) 0.283 8.682 ( 0.693 0.000 -0.000) 0.693 8.833 ( -3.516 -0.000 0.000) 3.516 9.142 ( 0.633 0.000 -0.000) 0.633 9.225 ( 2.262 0.000 -0.000) 2.262 9.255 ( -2.728 -0.000 0.000) 2.728 9.599 ( -12.927 -0.000 0.000) 12.927 9.761 ( 4.499 0.000 -0.000) 4.499 9.864 ( 6.223 0.000 -0.000) 6.223 10.013 ( -12.831 -0.000 0.000) 12.831 10.023 ( 3.349 0.000 -0.000) 3.349 10.227 ( 9.910 0.000 -0.000) 9.910 10.319 ( 6.385 0.000 -0.000) 6.385 10.385 ( -1.032 -0.000 0.000) 1.032 10.436 ( -2.408 -0.000 0.000) 2.408 10.728 ( -0.852 -0.000 0.000) 0.852 10.740 ( -25.881 -0.000 0.000) 25.881 10.958 ( 1.762 0.000 -0.000) 1.762 11.429 ( -3.453 -0.000 0.000) 3.453 11.453 ( 21.265 0.000 -0.000) 21.265 11.685 ( 22.344 0.000 -0.000) 22.344 12.098 ( -17.598 -0.000 0.000) 17.598 12.160 ( 2.188 0.000 -0.000) 2.188 12.263 ( -6.245 -0.000 0.000) 6.245 12.481 ( 2.948 0.000 -0.000) 2.948 12.561 ( 6.180 0.000 -0.000) 6.180 13.055 ( 7.272 0.000 -0.000) 7.272 13.251 ( 4.337 0.000 -0.000) 4.337 13.436 ( -2.379 -0.000 0.000) 2.379 13.826 ( -25.341 -0.000 0.000) 25.341 13.833 ( 16.011 0.000 -0.000) 16.011 13.963 ( -3.919 -0.000 0.000) 3.919 14.296 ( 1.532 0.000 -0.000) 1.532 14.506 ( -0.585 -0.000 0.000) 0.585 14.657 ( -1.192 -0.000 0.000) 1.192 14.700 ( -0.016 -0.000 0.000) 0.016 14.711 ( -7.579 -0.000 0.000) 7.579 15.049 ( 7.707 0.000 -0.000) 7.707 15.173 ( -16.346 -0.000 0.000) 16.346 15.328 ( -2.576 -0.000 0.000) 2.576 15.390 ( -1.494 -0.000 0.000) 1.494 15.482 ( 6.769 0.000 -0.000) 6.769 15.622 ( 8.306 0.000 -0.000) 8.306 15.685 ( 5.475 0.000 -0.000) 5.475 15.813 ( -1.415 -0.000 0.000) 1.415 15.877 ( 9.488 0.000 -0.000) 9.488 16.101 ( -3.787 -0.000 0.000) 3.787 16.141 ( -0.529 -0.000 0.000) 0.529 16.472 ( 3.019 0.000 -0.000) 3.019 16.674 ( 2.867 0.000 -0.000) 2.867 16.681 ( 1.546 0.000 -0.000) 1.546 16.916 ( -0.261 -0.000 0.000) 0.261 16.963 ( 7.662 0.000 -0.000) 7.662 17.164 ( -1.883 -0.000 0.000) 1.883 17.280 ( 1.153 0.000 -0.000) 1.153 17.285 ( 2.822 0.000 -0.000) 2.822 17.304 ( -5.433 -0.000 0.000) 5.433 17.829 ( 10.684 0.000 -0.000) 10.684 18.041 ( -11.508 -0.000 0.000) 11.508 18.131 ( -5.624 -0.000 0.000) 5.624 18.164 ( 3.166 0.000 -0.000) 3.166 18.579 ( -10.501 -0.000 0.000) 10.501 18.582 ( -0.815 -0.000 0.000) 0.815 19.603 ( -2.750 -0.000 0.000) 2.750 20.612 ( -1.735 -0.000 0.000) 1.735 20.902 ( -0.352 -0.000 0.000) 0.352 21.722 ( 8.775 0.000 -0.000) 8.775 21.860 ( 8.653 0.000 -0.000) 8.653 22.585 ( -8.548 -0.000 0.000) 8.548 ======================= Grid point 76 (56/72) ======================= q-point: (-0.29 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -1.142 0.000 0.000) 1.142 2.485 ( 0.081 0.000 0.000) 0.081 2.528 ( -8.454 0.000 0.000) 8.454 2.595 ( 0.031 -0.000 0.000) 0.031 2.825 ( 2.208 0.000 0.000) 2.208 2.966 ( -3.013 0.000 -0.000) 3.013 3.156 ( 6.982 0.000 0.000) 6.982 3.266 ( -0.928 0.000 0.000) 0.928 3.569 ( -14.601 0.000 0.000) 14.601 4.228 ( 7.378 0.000 0.000) 7.378 4.445 ( -10.380 0.000 -0.000) 10.380 4.554 ( 1.327 0.000 0.000) 1.327 4.772 ( 6.436 0.000 0.000) 6.436 4.786 ( 4.030 -0.000 0.000) 4.030 5.157 ( 0.654 0.000 0.000) 0.654 5.376 ( 1.908 0.000 -0.000) 1.908 6.069 ( -0.275 0.000 0.000) 0.275 6.473 ( -8.861 0.000 0.000) 8.861 6.520 ( -2.837 0.000 0.000) 2.837 6.842 ( 1.916 0.000 0.000) 1.916 6.859 ( 5.197 -0.000 -0.000) 5.197 7.159 ( -5.139 0.000 0.000) 5.139 7.261 ( 2.124 0.000 0.000) 2.124 7.425 ( 0.019 0.000 0.000) 0.019 7.538 ( 2.732 0.000 0.000) 2.732 7.876 ( -1.170 0.000 0.000) 1.170 7.947 ( 0.226 0.000 -0.000) 0.226 8.030 ( 0.111 -0.000 0.000) 0.111 8.122 ( -3.713 0.000 0.000) 3.713 8.285 ( 7.162 -0.000 -0.000) 7.162 8.409 ( -7.984 0.000 0.000) 7.984 8.636 ( 3.856 0.000 -0.000) 3.856 8.768 ( -3.321 0.000 0.000) 3.321 8.943 ( -2.604 0.000 -0.000) 2.604 8.949 ( -0.762 -0.000 0.000) 0.762 9.078 ( 0.040 0.000 0.000) 0.040 9.600 ( 0.527 0.000 0.000) 0.527 9.657 ( 4.807 0.000 0.000) 4.807 9.867 ( -12.837 0.000 0.000) 12.837 9.910 ( -8.482 -0.000 -0.000) 8.482 9.947 ( 5.013 0.000 -0.000) 5.013 10.038 ( 2.084 0.000 0.000) 2.084 10.369 ( 5.320 0.000 0.000) 5.320 10.484 ( 5.743 -0.000 0.000) 5.743 10.855 ( -14.970 0.000 -0.000) 14.970 10.892 ( 0.226 -0.000 0.000) 0.226 11.160 ( -7.933 0.000 0.000) 7.933 11.305 ( 1.788 0.000 0.000) 1.788 11.409 ( -0.504 0.000 0.000) 0.504 11.613 ( 2.382 0.000 0.000) 2.382 11.670 ( 7.611 0.000 0.000) 7.611 11.835 ( 7.489 0.000 0.000) 7.489 11.859 ( 16.222 -0.000 0.000) 16.222 12.450 ( 1.120 0.000 0.000) 1.120 12.540 ( 6.089 0.000 0.000) 6.089 13.006 ( -14.575 0.000 0.000) 14.575 13.017 ( -11.554 -0.000 -0.000) 11.554 13.142 ( 0.174 0.000 -0.000) 0.174 13.384 ( -8.369 0.000 0.000) 8.369 13.507 ( 6.815 0.000 -0.000) 6.815 13.567 ( 7.086 -0.000 0.000) 7.086 14.238 ( -4.313 0.000 -0.000) 4.313 14.334 ( -1.116 -0.000 0.000) 1.116 14.618 ( -10.242 0.000 -0.000) 10.242 14.672 ( 0.228 0.000 0.000) 0.228 14.819 ( 1.937 0.000 0.000) 1.937 14.869 ( 13.358 0.000 -0.000) 13.358 14.908 ( 0.900 0.000 0.000) 0.900 15.136 ( -2.201 0.000 0.000) 2.201 15.278 ( -2.434 0.000 -0.000) 2.434 15.430 ( 4.283 0.000 0.000) 4.283 15.436 ( 1.645 -0.000 -0.000) 1.645 15.492 ( 1.657 -0.000 -0.000) 1.657 15.571 ( 3.746 0.000 0.000) 3.746 15.663 ( 4.119 0.000 -0.000) 4.119 16.080 ( 0.309 0.000 0.000) 0.309 16.211 ( -1.133 0.000 -0.000) 1.133 16.217 ( -3.669 0.000 -0.000) 3.669 16.302 ( -2.555 -0.000 0.000) 2.555 16.409 ( 6.083 0.000 0.000) 6.083 16.418 ( 10.080 -0.000 -0.000) 10.080 16.845 ( -0.901 0.000 0.000) 0.901 16.958 ( -0.270 0.000 0.000) 0.270 17.113 ( -0.801 0.000 0.000) 0.801 17.220 ( -0.296 0.000 0.000) 0.296 17.444 ( -3.728 0.000 0.000) 3.728 17.612 ( -1.516 0.000 0.000) 1.516 17.702 ( 0.601 0.000 0.000) 0.601 18.048 ( 2.016 0.000 0.000) 2.016 18.365 ( -1.097 0.000 0.000) 1.097 18.389 ( 1.530 0.000 0.000) 1.530 18.425 ( -5.292 0.000 -0.000) 5.292 19.599 ( -6.141 0.000 0.000) 6.141 19.924 ( -4.448 0.000 0.000) 4.448 20.618 ( -3.603 0.000 0.000) 3.603 20.806 ( -3.057 0.000 0.000) 3.057 21.347 ( 0.867 0.000 0.000) 0.867 21.532 ( -9.119 0.000 -0.000) 9.119 21.730 ( 6.635 0.000 0.000) 6.635 ======================= Grid point 78 (57/72) ======================= q-point: ( 0.39 0.36 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -1.248 6.924 9.028) 11.446 2.203 ( 6.966 0.482 4.504) 8.309 2.287 ( 5.979 8.882 14.822) 18.285 2.568 ( 5.538 0.951 10.101) 11.559 2.833 ( 7.963 6.855 8.810) 13.712 2.958 ( -5.329 -4.560 -5.759) 9.075 3.262 ( 2.674 -7.016 9.470) 12.085 3.424 ( -2.629 5.496 -4.296) 7.455 3.567 ( 1.743 -1.420 8.214) 8.516 3.889 ( 8.340 9.902 0.494) 12.955 4.215 ( 5.702 -9.721 6.098) 12.814 4.377 ( -1.526 -0.279 -10.334) 10.450 4.528 ( -9.600 7.975 0.819) 12.507 4.877 ( -5.361 -1.521 -6.543) 8.595 5.202 ( 4.621 -2.885 4.095) 6.815 5.485 ( 0.258 2.934 4.565) 5.432 6.219 ( -2.433 10.399 0.810) 10.711 6.455 ( 6.154 2.776 -7.707) 10.246 6.613 ( -0.696 -11.782 -6.700) 13.571 6.749 ( -2.290 -11.360 -4.847) 12.562 6.812 ( 1.818 -4.031 1.792) 4.772 7.013 ( 0.585 9.845 -3.719) 10.541 7.267 ( 2.386 8.216 -11.624) 14.433 7.342 ( -5.148 -2.065 1.662) 5.790 7.440 ( -0.132 -0.607 0.163) 0.642 7.650 ( -5.474 5.464 -2.844) 8.240 7.978 ( -1.252 -0.926 5.235) 5.462 8.167 ( 9.667 -1.762 0.339) 9.832 8.264 ( 3.531 -0.659 2.011) 4.117 8.419 ( 0.018 -4.634 -4.429) 6.411 8.515 ( 1.829 0.407 0.131) 1.879 8.558 ( 7.405 3.611 -0.281) 8.243 8.619 ( 2.911 -3.997 -6.074) 7.832 8.942 ( 4.678 -15.750 2.682) 16.647 9.213 ( -2.473 -9.248 2.350) 9.858 9.330 ( -0.417 1.433 -0.981) 1.786 9.337 ( 2.075 -9.746 3.831) 10.675 9.458 ( 7.692 -3.395 -2.845) 8.876 9.608 ( 4.511 -0.890 -0.264) 4.605 9.936 ( 8.119 1.974 0.825) 8.396 9.990 ( -4.738 -6.314 -2.890) 8.406 10.209 ( -3.777 3.138 0.901) 4.993 10.333 ( 1.557 9.199 -1.284) 9.418 10.462 ( -7.195 4.043 1.790) 8.445 10.551 ( -11.463 4.164 0.413) 12.202 10.681 ( -1.235 4.233 -0.366) 4.425 11.017 ( 0.828 4.710 -1.886) 5.140 11.325 ( -10.753 -0.151 0.612) 10.771 11.592 ( -2.333 2.664 2.237) 4.189 11.729 ( -6.069 1.357 3.268) 7.025 11.795 ( -3.151 -1.210 -2.710) 4.328 12.218 ( 6.213 2.833 6.912) 9.716 12.230 ( 8.814 1.992 5.662) 10.664 12.321 ( 2.779 0.083 0.409) 2.810 12.574 ( 9.661 -0.927 -4.098) 10.535 12.679 ( 6.222 -0.270 -3.998) 7.401 12.737 ( -6.920 2.669 -3.529) 8.213 13.125 ( -3.366 4.738 -4.262) 7.207 13.233 ( -15.296 -3.004 -6.711) 16.971 13.325 ( -9.010 -0.198 0.776) 9.045 14.003 ( 12.163 -8.128 2.010) 14.767 14.175 ( -1.499 -0.443 5.146) 5.378 14.241 ( -0.684 0.114 1.017) 1.231 14.529 ( 9.991 0.101 2.797) 10.375 14.809 ( 0.057 -2.220 1.931) 2.943 14.869 ( -3.080 -1.726 0.370) 3.550 14.984 ( -11.818 3.937 -3.316) 12.890 15.024 ( -3.307 0.390 0.758) 3.415 15.243 ( 3.603 2.391 2.149) 4.829 15.306 ( -1.424 -5.808 3.555) 6.957 15.349 ( 0.763 -1.051 -2.149) 2.511 15.521 ( 1.354 -0.095 0.780) 1.565 15.649 ( -1.444 0.235 1.636) 2.195 15.757 ( -3.526 -4.639 -3.370) 6.731 15.778 ( 5.474 -7.409 -4.559) 10.278 16.031 ( 3.624 1.838 -0.327) 4.077 16.097 ( -0.973 1.255 0.977) 1.864 16.245 ( 1.034 7.330 5.118) 8.999 16.376 ( -10.277 3.490 -4.148) 11.619 16.659 ( -0.934 2.727 -2.401) 3.751 16.773 ( -3.431 6.619 -3.996) 8.459 16.827 ( 7.558 1.645 -2.081) 8.010 17.007 ( -3.845 0.620 3.453) 5.205 17.034 ( -1.990 -0.710 0.386) 2.147 17.115 ( 0.555 1.995 0.776) 2.211 17.359 ( 2.405 -3.822 -3.358) 5.627 17.470 ( -10.207 -2.603 -7.545) 12.957 17.909 ( 3.444 -2.401 6.748) 7.947 17.991 ( 2.773 -11.852 2.208) 12.371 18.271 ( -0.356 2.963 3.055) 4.271 18.423 ( 0.084 0.459 0.313) 0.561 18.578 ( -17.753 1.861 1.554) 17.918 19.019 ( 3.643 11.243 7.571) 14.035 19.437 ( 8.268 9.037 -7.679) 14.456 19.836 ( 15.184 1.055 17.949) 23.534 20.638 ( 17.403 0.477 -14.597) 22.720 20.849 ( 12.288 -2.334 -2.724) 12.801 21.126 ( 3.193 -1.635 -9.938) 10.566 22.803 ( -4.380 -12.408 8.688) 15.768 ======================= Grid point 83 (58/72) ======================= q-point: ( 0.23 0.52 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -4.600 0.000 11.361) 12.257 2.254 ( 0.509 0.000 3.972) 4.005 2.403 ( 12.818 0.000 8.669) 15.474 2.828 ( 11.976 0.000 3.639) 12.517 2.896 ( -6.921 -0.000 -4.180) 8.086 2.934 ( 15.613 0.000 2.776) 15.858 3.273 ( -3.963 0.000 5.305) 6.622 3.444 ( 5.154 0.000 14.713) 15.590 3.610 ( -2.700 0.000 5.506) 6.132 3.861 ( 0.961 0.000 1.477) 1.762 4.220 ( -4.977 -0.000 -10.385) 11.516 4.236 ( -4.108 -0.000 -2.788) 4.965 4.559 ( -0.582 -0.000 -17.146) 17.155 4.950 ( 3.864 0.000 8.084) 8.960 5.249 ( -9.629 -0.000 3.887) 10.384 5.332 ( 4.071 0.000 6.511) 7.679 6.008 ( 0.146 -0.000 -0.285) 0.320 6.672 ( 2.645 -0.000 -3.694) 4.543 6.752 ( 8.099 -0.000 -11.193) 13.816 6.850 ( 0.069 -0.000 -3.354) 3.355 6.882 ( 2.493 0.000 2.310) 3.399 6.913 ( 1.971 0.000 1.226) 2.321 7.266 ( -4.884 -0.000 -2.139) 5.332 7.309 ( 4.374 -0.000 -8.789) 9.818 7.370 ( -7.358 -0.000 2.576) 7.796 7.471 ( 1.870 0.000 1.994) 2.734 7.887 ( -4.258 0.000 7.733) 8.828 8.344 ( 1.041 -0.000 -3.505) 3.657 8.376 ( 4.458 0.000 5.939) 7.426 8.386 ( -2.664 -0.000 -7.898) 8.335 8.632 ( 2.002 0.000 4.247) 4.695 8.657 ( 8.765 -0.000 -6.360) 10.829 8.815 ( 13.366 0.000 -4.977) 14.262 9.145 ( -2.484 0.000 2.536) 3.550 9.308 ( -1.433 -0.000 -0.332) 1.471 9.430 ( -1.485 0.000 3.876) 4.150 9.461 ( -7.219 0.000 3.471) 8.010 9.584 ( 3.576 0.000 -0.378) 3.596 9.753 ( 0.044 -0.000 -2.462) 2.462 9.848 ( 4.521 -0.000 -2.326) 5.084 10.040 ( -9.760 -0.000 2.839) 10.165 10.205 ( 26.251 0.000 -5.342) 26.789 10.317 ( 19.615 0.000 5.252) 20.306 10.345 ( -8.305 -0.000 -5.450) 9.933 10.383 ( -0.987 -0.000 -0.407) 1.067 10.623 ( -0.616 -0.000 -4.352) 4.395 10.840 ( -15.726 0.000 7.581) 17.458 11.096 ( -5.575 -0.000 -1.648) 5.813 11.455 ( -16.219 -0.000 5.842) 17.239 11.521 ( -2.180 0.000 1.645) 2.731 11.691 ( -10.372 -0.000 -4.897) 11.470 12.266 ( -4.980 0.000 4.384) 6.634 12.339 ( -4.826 0.000 2.936) 5.648 12.343 ( 1.985 0.000 6.270) 6.577 12.491 ( 12.277 0.000 0.554) 12.290 12.856 ( -14.216 -0.000 -9.051) 16.853 12.936 ( 1.622 0.000 -0.361) 1.662 13.020 ( 11.511 -0.000 -6.461) 13.200 13.123 ( 9.743 0.000 -1.602) 9.874 13.132 ( 1.126 -0.000 -3.831) 3.993 14.104 ( -4.204 0.000 4.360) 6.056 14.245 ( 0.584 0.000 0.711) 0.920 14.312 ( 6.314 0.000 2.907) 6.951 14.715 ( -4.667 -0.000 -3.901) 6.083 14.726 ( 3.798 0.000 -0.360) 3.815 14.761 ( -6.994 -0.000 2.043) 7.287 14.781 ( -3.052 -0.000 -0.576) 3.106 14.998 ( 4.501 0.000 4.724) 6.525 15.298 ( 2.254 0.000 4.939) 5.429 15.377 ( -0.005 -0.000 -3.601) 3.601 15.399 ( -7.278 -0.000 1.702) 7.475 15.466 ( -2.609 0.000 5.994) 6.537 15.544 ( -5.285 -0.000 -0.581) 5.317 15.781 ( 0.269 0.000 3.224) 3.235 15.831 ( -7.777 -0.000 -0.485) 7.792 16.071 ( -8.527 -0.000 -5.718) 10.267 16.080 ( 3.428 0.000 1.535) 3.756 16.214 ( 1.537 0.000 -0.393) 1.587 16.322 ( 4.856 -0.000 -3.916) 6.238 16.494 ( -0.534 0.000 2.626) 2.679 16.647 ( -0.897 -0.000 -1.747) 1.964 16.892 ( 3.510 -0.000 -10.754) 11.312 17.006 ( 6.191 0.000 1.984) 6.501 17.030 ( -1.044 -0.000 -5.001) 5.109 17.157 ( 2.516 0.000 4.957) 5.559 17.305 ( -7.535 -0.000 -3.606) 8.353 17.455 ( -1.707 -0.000 0.201) 1.719 17.811 ( -9.256 -0.000 -0.601) 9.275 18.091 ( -5.079 0.000 6.931) 8.593 18.225 ( 1.349 0.000 2.857) 3.160 18.342 ( -1.853 -0.000 -2.211) 2.885 18.511 ( 3.377 0.000 -0.652) 3.439 18.834 ( -2.732 0.000 7.082) 7.591 19.531 ( 9.179 -0.000 -6.843) 11.449 20.090 ( 10.069 0.000 19.176) 21.659 21.014 ( 15.704 -0.000 -17.439) 23.468 21.205 ( 14.832 0.000 -5.689) 15.886 21.305 ( 15.217 0.000 -5.390) 16.144 22.833 ( -6.710 0.000 7.453) 10.029 ======================= Grid point 88 (59/72) ======================= q-point: ( 0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.000 0.000 33.087) 33.087 1.711 ( 0.000 0.000 36.250) 36.250 1.749 ( 0.000 0.000 14.082) 14.082 2.294 ( -0.000 -0.000 -1.370) 1.370 2.639 ( -0.000 -0.000 -0.310) 0.310 2.677 ( 0.000 0.000 56.681) 56.681 3.104 ( 0.000 0.000 9.980) 9.980 3.365 ( -0.000 -0.000 -12.535) 12.535 3.636 ( -0.000 -0.000 -6.398) 6.398 3.656 ( -0.000 -0.000 -4.046) 4.046 3.985 ( 0.000 0.000 5.790) 5.790 4.340 ( 0.000 0.000 8.870) 8.870 4.725 ( -0.000 -0.000 -14.292) 14.292 5.068 ( -0.000 -0.000 -3.433) 3.433 5.365 ( -0.000 -0.000 -6.638) 6.638 5.388 ( 0.000 0.000 4.649) 4.649 6.114 ( -0.000 -0.000 -8.480) 8.480 6.589 ( -0.000 -0.000 -4.587) 4.587 6.836 ( 0.000 0.000 3.681) 3.681 6.950 ( -0.000 -0.000 -8.640) 8.640 6.977 ( -0.000 -0.000 -6.842) 6.842 7.103 ( -0.000 -0.000 -7.842) 7.842 7.292 ( -0.000 -0.000 -8.560) 8.560 7.423 ( -0.000 -0.000 -1.753) 1.753 7.567 ( -0.000 -0.000 -11.978) 11.978 7.720 ( 0.000 0.000 15.105) 15.105 7.983 ( -0.000 -0.000 -3.713) 3.713 8.032 ( -0.000 -0.000 -8.643) 8.643 8.164 ( -0.000 -0.000 -0.975) 0.975 8.502 ( -0.000 -0.000 -3.885) 3.885 8.517 ( 0.000 0.000 3.832) 3.832 8.570 ( -0.000 -0.000 -0.763) 0.763 8.727 ( -0.000 -0.000 -7.101) 7.101 8.806 ( 0.000 0.000 6.869) 6.869 9.325 ( 0.000 0.000 0.660) 0.660 9.355 ( 0.000 0.000 20.138) 20.138 9.430 ( -0.000 -0.000 -1.284) 1.284 9.448 ( -0.000 -0.000 -5.488) 5.488 9.675 ( -0.000 -0.000 -6.460) 6.460 9.766 ( -0.000 -0.000 -4.157) 4.157 9.997 ( 0.000 0.000 0.630) 0.630 10.355 ( -0.000 -0.000 -8.295) 8.295 10.367 ( 0.000 0.000 1.440) 1.440 10.399 ( -0.000 -0.000 -2.182) 2.182 10.607 ( 0.000 0.000 4.189) 4.189 10.664 ( 0.000 0.000 9.755) 9.755 10.949 ( -0.000 -0.000 -10.763) 10.763 11.342 ( 0.000 0.000 2.680) 2.680 11.657 ( 0.000 0.000 9.806) 9.806 11.687 ( -0.000 -0.000 -0.353) 0.353 11.842 ( 0.000 0.000 4.915) 4.915 11.983 ( -0.000 -0.000 -0.738) 0.738 12.085 ( -0.000 -0.000 -2.725) 2.725 12.284 ( -0.000 -0.000 -1.088) 1.088 12.505 ( -0.000 -0.000 -1.137) 1.137 12.799 ( 0.000 0.000 4.233) 4.233 12.815 ( -0.000 -0.000 -13.508) 13.508 13.196 ( -0.000 -0.000 -6.931) 6.931 13.368 ( 0.000 0.000 4.981) 4.981 13.653 ( -0.000 -0.000 -7.238) 7.238 13.921 ( 0.000 0.000 0.366) 0.366 14.077 ( 0.000 0.000 6.751) 6.751 14.188 ( 0.000 0.000 3.780) 3.780 14.355 ( -0.000 -0.000 -0.347) 0.347 14.775 ( 0.000 0.000 6.060) 6.060 14.935 ( -0.000 -0.000 -0.011) 0.011 15.007 ( 0.000 0.000 0.157) 0.157 15.176 ( -0.000 -0.000 -2.857) 2.857 15.192 ( 0.000 0.000 0.250) 0.250 15.289 ( 0.000 0.000 4.848) 4.848 15.352 ( -0.000 -0.000 -2.640) 2.640 15.436 ( 0.000 0.000 3.363) 3.363 15.632 ( -0.000 -0.000 -1.527) 1.527 15.962 ( 0.000 0.000 1.842) 1.842 15.977 ( -0.000 -0.000 -0.386) 0.386 16.026 ( -0.000 -0.000 -9.838) 9.838 16.154 ( -0.000 -0.000 -1.880) 1.880 16.281 ( -0.000 -0.000 -5.293) 5.293 16.348 ( -0.000 -0.000 -16.768) 16.768 16.621 ( 0.000 0.000 1.265) 1.265 16.716 ( 0.000 0.000 3.199) 3.199 16.929 ( 0.000 0.000 8.234) 8.234 16.964 ( -0.000 -0.000 -10.821) 10.821 17.008 ( -0.000 -0.000 -0.536) 0.536 17.133 ( -0.000 -0.000 -1.427) 1.427 17.420 ( 0.000 0.000 4.779) 4.779 17.749 ( 0.000 0.000 5.812) 5.812 17.872 ( -0.000 -0.000 -12.080) 12.080 18.004 ( 0.000 0.000 6.890) 6.890 18.114 ( 0.000 0.000 6.518) 6.518 18.469 ( -0.000 -0.000 -1.422) 1.422 18.516 ( 0.000 0.000 16.208) 16.208 18.791 ( 0.000 0.000 5.785) 5.785 19.058 ( 0.000 0.000 4.395) 4.395 19.517 ( 0.000 0.000 1.548) 1.548 20.583 ( -0.000 -0.000 -5.194) 5.194 20.785 ( -0.000 -0.000 -2.852) 2.852 21.405 ( -0.000 -0.000 -15.078) 15.078 22.769 ( 0.000 0.000 12.543) 12.543 ======================= Grid point 89 (60/72) ======================= q-point: (-0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 -11.596 -0.000) 11.596 2.187 ( 0.000 -29.035 -0.000) 29.035 2.249 ( -0.000 3.054 0.000) 3.054 2.793 ( -0.000 2.780 0.000) 2.780 2.832 ( -0.000 3.590 0.000) 3.590 2.938 ( 0.000 -11.415 -0.000) 11.415 2.977 ( 0.000 -23.205 -0.000) 23.205 3.395 ( 0.000 -5.353 -0.000) 5.353 3.688 ( -0.000 1.382 0.000) 1.382 3.936 ( -0.000 21.978 0.000) 21.978 4.174 ( 0.000 -24.668 -0.000) 24.668 4.175 ( -0.000 27.030 0.000) 27.030 4.319 ( 0.000 -25.629 -0.000) 25.629 5.305 ( -0.000 31.417 0.000) 31.417 5.309 ( 0.000 -1.150 -0.000) 1.150 5.771 ( 0.000 -15.812 -0.000) 15.812 5.814 ( 0.000 -21.846 -0.000) 21.846 5.988 ( 0.000 -6.701 -0.000) 6.701 6.396 ( -0.000 35.169 0.000) 35.169 6.824 ( 0.000 -4.045 -0.000) 4.045 7.097 ( -0.000 1.924 0.000) 1.924 7.314 ( -0.000 3.919 0.000) 3.919 7.457 ( -0.000 0.009 0.000) 0.009 7.464 ( 0.000 -6.590 -0.000) 6.590 7.617 ( -0.000 18.731 0.000) 18.731 7.733 ( -0.000 22.632 0.000) 22.632 7.873 ( -0.000 1.498 0.000) 1.498 8.086 ( 0.000 -14.292 -0.000) 14.292 8.204 ( 0.000 -11.457 -0.000) 11.457 8.233 ( 0.000 -1.309 -0.000) 1.309 8.334 ( -0.000 2.539 0.000) 2.539 8.416 ( -0.000 12.120 0.000) 12.120 8.545 ( -0.000 2.044 0.000) 2.044 8.695 ( 0.000 -9.760 -0.000) 9.760 8.986 ( -0.000 6.272 0.000) 6.272 9.152 ( 0.000 -8.034 -0.000) 8.034 9.453 ( 0.000 -1.466 -0.000) 1.466 9.472 ( -0.000 3.010 0.000) 3.010 9.516 ( 0.000 -4.160 -0.000) 4.160 9.764 ( -0.000 14.594 0.000) 14.594 9.780 ( 0.000 -5.812 -0.000) 5.812 10.203 ( -0.000 2.424 0.000) 2.424 10.324 ( 0.000 -16.851 -0.000) 16.851 10.641 ( 0.000 -0.693 -0.000) 0.693 10.707 ( -0.000 7.189 0.000) 7.189 11.039 ( -0.000 1.123 0.000) 1.123 11.073 ( -0.000 1.602 0.000) 1.602 11.153 ( 0.000 -10.314 -0.000) 10.314 11.687 ( 0.000 -8.486 -0.000) 8.486 11.714 ( -0.000 1.453 0.000) 1.453 11.942 ( -0.000 0.079 0.000) 0.079 12.204 ( 0.000 -6.462 -0.000) 6.462 12.314 ( -0.000 5.916 0.000) 5.916 12.346 ( 0.000 -0.133 -0.000) 0.133 12.411 ( -0.000 9.421 0.000) 9.421 12.934 ( -0.000 15.186 0.000) 15.186 12.994 ( 0.000 -8.852 -0.000) 8.852 13.276 ( 0.000 -3.625 -0.000) 3.625 13.338 ( 0.000 -11.816 -0.000) 11.816 13.404 ( -0.000 11.252 0.000) 11.252 13.488 ( -0.000 9.902 0.000) 9.902 14.191 ( 0.000 -13.874 -0.000) 13.874 14.221 ( 0.000 -2.929 -0.000) 2.929 14.235 ( -0.000 1.831 0.000) 1.831 14.537 ( 0.000 -1.374 -0.000) 1.374 14.768 ( -0.000 0.437 0.000) 0.437 14.939 ( -0.000 0.060 0.000) 0.060 15.200 ( 0.000 -0.426 -0.000) 0.426 15.288 ( 0.000 -0.906 -0.000) 0.906 15.353 ( -0.000 2.353 0.000) 2.353 15.437 ( 0.000 -2.259 -0.000) 2.259 15.588 ( 0.000 -2.627 -0.000) 2.627 15.629 ( -0.000 5.638 0.000) 5.638 15.691 ( -0.000 4.203 0.000) 4.203 16.076 ( 0.000 -0.978 -0.000) 0.978 16.100 ( -0.000 2.594 0.000) 2.594 16.117 ( -0.000 18.153 0.000) 18.153 16.453 ( 0.000 -8.659 -0.000) 8.659 16.534 ( 0.000 -6.515 -0.000) 6.515 16.564 ( 0.000 -8.351 -0.000) 8.351 16.635 ( 0.000 -0.350 -0.000) 0.350 16.695 ( 0.000 -2.096 -0.000) 2.096 17.083 ( 0.000 -3.106 -0.000) 3.106 17.159 ( -0.000 1.350 0.000) 1.350 17.186 ( -0.000 5.723 0.000) 5.723 17.283 ( 0.000 -2.138 -0.000) 2.138 17.601 ( 0.000 -2.586 -0.000) 2.586 17.637 ( -0.000 13.933 0.000) 13.933 18.027 ( -0.000 7.662 0.000) 7.662 18.199 ( 0.000 -6.261 -0.000) 6.261 18.442 ( 0.000 -4.809 -0.000) 4.809 18.682 ( 0.000 -19.046 -0.000) 19.046 18.708 ( 0.000 -4.191 -0.000) 4.191 19.293 ( 0.000 -7.587 -0.000) 7.587 20.317 ( -0.000 2.631 0.000) 2.631 20.496 ( -0.000 9.752 0.000) 9.752 20.954 ( -0.000 16.036 0.000) 16.036 21.237 ( -0.000 15.227 0.000) 15.227 22.230 ( 0.000 -17.061 -0.000) 17.061 ======================= Grid point 92 (61/72) ======================= q-point: (-0.40 0.40 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 1.774 3.114 0.000) 3.584 2.203 ( 9.911 -1.785 -0.000) 10.071 2.588 ( -3.802 -8.332 -0.000) 9.159 2.650 ( -2.885 7.973 0.000) 8.479 2.836 ( 5.227 -1.798 -0.000) 5.528 3.050 ( -7.369 -15.608 -0.000) 17.260 3.300 ( -2.756 15.187 0.000) 15.435 3.538 ( -0.583 -9.808 -0.000) 9.825 3.560 ( 5.605 1.461 -0.000) 5.792 3.803 ( 12.513 -7.299 -0.000) 14.486 3.983 ( 7.384 5.261 0.000) 9.067 4.396 ( -12.409 -10.173 -0.000) 16.046 4.677 ( 1.788 22.618 0.000) 22.688 4.929 ( 5.603 0.880 -0.000) 5.672 5.291 ( -1.770 4.390 0.000) 4.733 5.590 ( -5.989 -0.116 0.000) 5.990 6.112 ( 7.167 -4.179 -0.000) 8.296 6.241 ( 4.340 -13.111 -0.000) 13.811 6.366 ( 3.719 -13.656 -0.000) 14.153 6.812 ( -4.599 5.487 0.000) 7.159 6.972 ( -9.371 17.255 0.000) 19.635 7.118 ( 5.494 2.595 -0.000) 6.076 7.314 ( 4.173 17.410 0.000) 17.904 7.344 ( -3.837 -4.028 -0.000) 5.563 7.422 ( -0.519 0.144 0.000) 0.539 7.646 ( -1.983 -2.997 -0.000) 3.594 7.956 ( 8.625 -0.254 -0.000) 8.629 8.239 ( -0.180 -0.868 -0.000) 0.886 8.275 ( 0.497 4.368 0.000) 4.396 8.326 ( -4.703 -14.006 -0.000) 14.775 8.347 ( 8.876 0.347 -0.000) 8.883 8.477 ( 2.855 -12.361 -0.000) 12.687 8.526 ( 2.757 3.030 0.000) 4.096 8.850 ( 2.828 6.962 0.000) 7.514 8.965 ( 0.602 -13.335 -0.000) 13.349 9.216 ( -3.057 -4.924 -0.000) 5.796 9.433 ( 3.716 0.546 -0.000) 3.756 9.439 ( 3.618 5.216 0.000) 6.348 9.666 ( 9.327 6.683 0.000) 11.474 9.743 ( 0.606 -11.281 -0.000) 11.297 10.018 ( 5.602 -5.053 -0.000) 7.544 10.062 ( -5.287 2.083 0.000) 5.682 10.481 ( -6.443 -2.622 0.000) 6.956 10.510 ( -4.655 5.286 0.000) 7.044 10.719 ( 4.267 -2.218 -0.000) 4.809 10.843 ( -13.377 8.101 0.000) 15.638 11.025 ( 4.237 3.807 0.000) 5.696 11.279 ( -4.187 -3.160 -0.000) 5.246 11.704 ( -0.439 3.799 0.000) 3.824 11.734 ( -4.942 -2.585 0.000) 5.577 11.788 ( -5.195 3.274 0.000) 6.141 12.235 ( 0.764 -2.032 -0.000) 2.171 12.387 ( 9.149 2.220 -0.000) 9.414 12.403 ( 4.401 -2.375 -0.000) 5.001 12.530 ( 19.244 5.646 -0.000) 20.056 12.631 ( 2.162 4.577 0.000) 5.061 12.865 ( -20.911 6.907 0.000) 22.022 13.053 ( -13.441 -2.918 0.000) 13.754 13.205 ( -6.137 1.621 0.000) 6.347 13.336 ( -1.662 3.587 0.000) 3.953 13.818 ( 12.679 -10.201 -0.000) 16.273 14.223 ( 0.624 -0.079 -0.000) 0.629 14.228 ( -3.391 -2.038 -0.000) 3.956 14.569 ( -0.637 -17.414 -0.000) 17.426 14.615 ( 8.043 1.585 -0.000) 8.197 14.847 ( 7.716 0.355 -0.000) 7.724 14.956 ( 0.426 -1.476 -0.000) 1.536 15.064 ( -10.178 1.896 0.000) 10.353 15.295 ( -3.793 2.971 0.000) 4.818 15.331 ( 2.056 1.924 0.000) 2.816 15.376 ( -8.121 5.508 0.000) 9.813 15.449 ( -2.345 -2.602 -0.000) 3.503 15.648 ( 1.534 0.321 -0.000) 1.567 15.686 ( 6.937 -3.132 -0.000) 7.611 15.794 ( -1.831 8.642 0.000) 8.834 16.072 ( 2.773 2.195 0.000) 3.537 16.117 ( 2.050 0.069 -0.000) 2.051 16.377 ( -14.723 0.761 0.000) 14.742 16.515 ( -5.719 2.706 0.000) 6.327 16.601 ( -1.056 -0.491 0.000) 1.164 16.761 ( 0.127 -5.202 -0.000) 5.203 16.810 ( 5.557 -2.104 -0.000) 5.942 17.001 ( -3.846 1.054 0.000) 3.988 17.159 ( -0.880 0.788 0.000) 1.181 17.197 ( -10.049 8.220 0.000) 12.983 17.288 ( 1.442 -2.121 -0.000) 2.565 17.343 ( 7.027 2.929 -0.000) 7.613 17.769 ( 3.230 -8.075 -0.000) 8.698 17.947 ( 5.437 1.696 -0.000) 5.695 18.297 ( 1.175 -1.919 -0.000) 2.250 18.423 ( -11.978 -2.304 0.000) 12.197 18.637 ( -7.257 -0.261 0.000) 7.262 19.168 ( 11.605 -7.042 -0.000) 13.575 19.504 ( 7.564 5.645 0.000) 9.439 20.260 ( 9.018 8.491 0.000) 12.386 20.401 ( 15.374 5.776 -0.000) 16.423 20.854 ( 10.397 4.183 -0.000) 11.207 21.020 ( 0.645 3.254 0.000) 3.317 22.559 ( -5.356 -18.049 -0.000) 18.827 ======================= Grid point 97 (62/72) ======================= q-point: ( 0.44 0.56 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -3.607 6.576 0.000) 7.500 2.394 ( -2.354 8.542 0.000) 8.861 2.472 ( 13.394 -0.636 -0.000) 13.409 2.667 ( -0.740 -6.204 -0.000) 6.248 2.885 ( 1.337 0.154 -0.000) 1.346 3.250 ( 13.302 14.562 0.000) 19.723 3.266 ( -3.315 -10.922 -0.000) 11.414 3.571 ( -4.953 -2.253 0.000) 5.441 3.591 ( 10.287 -4.049 -0.000) 11.055 3.962 ( -13.233 0.332 0.000) 13.237 4.061 ( -2.176 -5.119 -0.000) 5.562 4.212 ( -8.580 4.686 0.000) 9.776 4.424 ( 4.426 13.017 0.000) 13.748 4.761 ( 0.495 -9.379 -0.000) 9.392 5.391 ( 3.791 -4.022 -0.000) 5.527 5.575 ( -0.918 11.617 0.000) 11.654 6.152 ( -4.182 8.299 0.000) 9.293 6.546 ( 4.804 -3.846 -0.000) 6.154 6.623 ( 8.375 0.935 -0.000) 8.427 6.647 ( 4.263 -13.890 -0.000) 14.529 6.852 ( -0.773 -2.473 -0.000) 2.591 7.088 ( 6.073 11.558 0.000) 13.056 7.201 ( -2.836 0.509 0.000) 2.881 7.223 ( 1.912 0.191 -0.000) 1.921 7.463 ( -0.673 1.206 0.000) 1.382 7.593 ( 1.679 5.278 0.000) 5.539 7.943 ( -7.341 -0.586 0.000) 7.364 8.240 ( -0.878 -5.217 -0.000) 5.290 8.269 ( -3.938 -0.847 0.000) 4.028 8.529 ( 2.388 1.181 -0.000) 2.664 8.538 ( 11.106 -1.223 -0.000) 11.173 8.600 ( 3.556 -2.878 -0.000) 4.575 8.812 ( 4.605 3.536 0.000) 5.806 9.013 ( 7.640 -26.747 -0.000) 27.817 9.153 ( -6.552 -11.685 -0.000) 13.397 9.366 ( 4.381 15.402 0.000) 16.012 9.415 ( 0.770 -7.362 -0.000) 7.402 9.525 ( 4.996 0.302 -0.000) 5.005 9.611 ( -0.144 -5.277 -0.000) 5.279 9.981 ( -6.004 -16.660 -0.000) 17.709 10.075 ( -15.066 -2.670 0.000) 15.301 10.194 ( 14.652 1.159 -0.000) 14.697 10.277 ( 9.207 19.385 0.000) 21.461 10.395 ( -3.897 0.079 0.000) 3.898 10.459 ( 14.326 5.893 -0.000) 15.490 10.694 ( 2.310 9.560 0.000) 9.835 11.057 ( -14.891 7.724 0.000) 16.775 11.096 ( 3.347 1.866 0.000) 3.832 11.526 ( -14.644 1.727 0.000) 14.746 11.582 ( -3.932 3.405 0.000) 5.202 11.630 ( -11.054 -0.921 0.000) 11.093 12.243 ( -11.687 -4.445 0.000) 12.504 12.398 ( 1.418 0.491 -0.000) 1.501 12.440 ( -1.595 2.173 0.000) 2.695 12.597 ( 15.867 4.568 -0.000) 16.512 12.656 ( -21.769 -4.252 0.000) 22.181 12.921 ( 23.764 1.418 -0.000) 23.806 12.968 ( 14.328 -1.334 -0.000) 14.390 13.087 ( -8.348 -0.241 0.000) 8.352 13.144 ( -1.100 4.078 0.000) 4.224 14.120 ( -4.946 -4.044 -0.000) 6.389 14.250 ( 1.394 -0.108 -0.000) 1.399 14.267 ( 6.028 -4.675 -0.000) 7.628 14.701 ( -1.354 2.518 0.000) 2.859 14.745 ( -4.493 -2.194 0.000) 5.000 14.811 ( 3.837 6.070 0.000) 7.181 14.848 ( -9.239 5.324 0.000) 10.663 15.028 ( 7.057 -5.088 -0.000) 8.700 15.198 ( -7.396 -2.351 0.000) 7.760 15.346 ( -3.211 -12.218 -0.000) 12.633 15.388 ( 5.225 0.721 -0.000) 5.275 15.460 ( -3.811 -1.620 0.000) 4.141 15.589 ( -2.689 3.388 0.000) 4.325 15.728 ( -0.853 -4.331 -0.000) 4.414 15.861 ( 2.104 -1.916 -0.000) 2.846 16.049 ( -13.112 4.105 0.000) 13.740 16.107 ( 4.176 1.967 -0.000) 4.616 16.122 ( -4.191 -2.488 -0.000) 4.874 16.285 ( -0.793 2.755 0.000) 2.866 16.602 ( 0.464 -2.184 -0.000) 2.232 16.814 ( -2.863 4.460 0.000) 5.300 16.830 ( 5.662 12.996 0.000) 14.176 16.917 ( -4.422 -6.790 -0.000) 8.103 17.026 ( 6.124 -0.775 -0.000) 6.173 17.212 ( 2.518 -0.037 -0.000) 2.518 17.263 ( -4.833 -0.589 0.000) 4.869 17.314 ( 0.150 2.882 0.000) 2.886 18.040 ( 0.554 -12.102 -0.000) 12.115 18.044 ( -0.826 7.705 0.000) 7.749 18.160 ( -12.207 -2.282 0.000) 12.419 18.330 ( -0.307 -0.023 0.000) 0.307 18.498 ( 3.003 2.931 0.000) 4.196 19.130 ( -2.543 15.009 0.000) 15.223 19.503 ( 8.306 4.706 0.000) 9.547 20.446 ( 12.449 -0.325 -0.000) 12.453 20.671 ( 13.480 1.738 -0.000) 13.592 21.130 ( 16.931 -2.890 -0.000) 17.176 21.181 ( 13.199 -5.690 -0.000) 14.373 22.769 ( -7.781 -12.705 -0.000) 14.898 ======================= Grid point 101 (63/72) ======================= q-point: ( 0.29 -0.29 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -14.412 -0.000 0.000) 14.412 2.285 ( -0.979 -0.000 0.000) 0.979 2.646 ( -11.668 -0.000 0.000) 11.668 2.733 ( 10.783 0.000 -0.000) 10.783 2.986 ( 3.597 0.000 -0.000) 3.597 3.176 ( 10.844 0.000 -0.000) 10.844 3.308 ( -3.518 -0.000 0.000) 3.518 3.438 ( -8.143 -0.000 0.000) 8.143 3.597 ( -26.842 -0.000 0.000) 26.842 3.922 ( -20.113 -0.000 0.000) 20.113 4.137 ( 9.455 0.000 -0.000) 9.455 4.223 ( 17.378 0.000 -0.000) 17.378 4.334 ( 26.796 0.000 -0.000) 26.796 4.940 ( -15.529 -0.000 0.000) 15.529 5.109 ( -9.780 -0.000 0.000) 9.780 5.520 ( 1.526 0.000 -0.000) 1.526 6.010 ( -0.601 -0.000 0.000) 0.601 6.564 ( -3.233 -0.000 0.000) 3.233 6.849 ( -1.851 -0.000 0.000) 1.851 6.913 ( 11.549 0.000 -0.000) 11.549 6.982 ( 5.046 0.000 -0.000) 5.046 7.035 ( 7.616 0.000 -0.000) 7.616 7.140 ( -1.082 -0.000 0.000) 1.082 7.309 ( 4.637 0.000 -0.000) 4.637 7.356 ( -1.006 -0.000 0.000) 1.006 7.589 ( 4.950 0.000 -0.000) 4.950 7.887 ( -3.640 -0.000 0.000) 3.640 8.180 ( -3.947 -0.000 0.000) 3.947 8.273 ( -3.434 -0.000 0.000) 3.434 8.507 ( 0.648 0.000 -0.000) 0.648 8.690 ( -0.721 -0.000 0.000) 0.721 8.727 ( -12.102 -0.000 0.000) 12.102 8.786 ( 10.429 0.000 -0.000) 10.429 9.121 ( -1.634 -0.000 0.000) 1.634 9.242 ( -7.734 -0.000 0.000) 7.734 9.280 ( -0.462 -0.000 0.000) 0.462 9.724 ( 8.765 0.000 -0.000) 8.765 9.731 ( 3.784 0.000 -0.000) 3.784 9.732 ( 6.231 0.000 -0.000) 6.231 9.996 ( 12.148 0.000 -0.000) 12.148 10.037 ( 10.377 0.000 -0.000) 10.377 10.068 ( -11.310 -0.000 0.000) 11.310 10.226 ( -8.888 -0.000 0.000) 8.888 10.494 ( -3.713 -0.000 0.000) 3.713 10.496 ( -11.713 -0.000 0.000) 11.713 10.842 ( 32.662 0.000 -0.000) 32.662 10.937 ( 14.924 0.000 -0.000) 14.924 10.939 ( -12.507 -0.000 0.000) 12.507 11.274 ( 3.110 0.000 -0.000) 3.110 11.274 ( -24.940 -0.000 0.000) 24.940 11.490 ( -2.748 -0.000 0.000) 2.748 12.144 ( -2.074 -0.000 0.000) 2.074 12.421 ( -10.719 -0.000 0.000) 10.719 12.438 ( -0.522 -0.000 0.000) 0.522 12.441 ( 1.443 0.000 -0.000) 1.443 12.609 ( -20.621 -0.000 0.000) 20.621 12.854 ( 13.724 0.000 -0.000) 13.724 13.162 ( 4.389 0.000 -0.000) 4.389 13.307 ( 14.854 0.000 -0.000) 14.854 13.464 ( 20.661 0.000 -0.000) 20.661 14.050 ( -4.890 -0.000 0.000) 4.890 14.270 ( 1.074 0.000 -0.000) 1.074 14.277 ( -16.184 -0.000 0.000) 16.184 14.581 ( -6.915 -0.000 0.000) 6.915 14.612 ( 0.738 0.000 -0.000) 0.738 14.682 ( -0.258 -0.000 0.000) 0.258 14.903 ( 7.351 0.000 -0.000) 7.351 14.991 ( -15.426 -0.000 0.000) 15.426 15.295 ( 11.303 0.000 -0.000) 11.303 15.387 ( -3.232 -0.000 0.000) 3.232 15.399 ( -0.284 -0.000 0.000) 0.284 15.509 ( -16.972 -0.000 0.000) 16.972 15.532 ( 3.578 0.000 -0.000) 3.578 15.598 ( 3.353 0.000 -0.000) 3.353 15.815 ( -4.788 -0.000 0.000) 4.788 15.854 ( -2.902 -0.000 0.000) 2.902 16.135 ( 1.453 0.000 -0.000) 1.453 16.170 ( -2.927 -0.000 0.000) 2.927 16.394 ( 4.897 0.000 -0.000) 4.897 16.664 ( 2.945 0.000 -0.000) 2.945 16.671 ( -1.950 -0.000 0.000) 1.950 16.796 ( 8.663 0.000 -0.000) 8.663 16.921 ( -0.814 -0.000 0.000) 0.814 17.181 ( 7.235 0.000 -0.000) 7.235 17.186 ( -1.502 -0.000 0.000) 1.502 17.251 ( 1.669 0.000 -0.000) 1.669 17.399 ( -3.896 -0.000 0.000) 3.896 17.689 ( 0.851 0.000 -0.000) 0.851 18.123 ( 0.817 0.000 -0.000) 0.817 18.217 ( -3.044 -0.000 0.000) 3.044 18.235 ( -6.862 -0.000 0.000) 6.862 18.571 ( 2.008 0.000 -0.000) 2.008 18.778 ( -9.135 -0.000 0.000) 9.135 19.589 ( 4.059 0.000 -0.000) 4.059 20.593 ( 3.608 0.000 -0.000) 3.608 20.842 ( 6.627 0.000 -0.000) 6.627 21.494 ( 14.311 0.000 -0.000) 14.311 21.602 ( 17.100 0.000 -0.000) 17.100 22.756 ( -8.506 -0.000 0.000) 8.506 ======================= Grid point 104 (64/72) ======================= q-point: ( 0.46 0.29 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -0.000 3.878 7.485) 8.430 2.129 ( -0.000 0.203 0.128) 0.240 2.201 ( -0.000 12.308 23.966) 26.942 2.523 ( -0.000 3.894 17.110) 17.547 2.758 ( -0.000 9.630 3.067) 10.106 3.015 ( 0.000 -7.869 -10.009) 12.732 3.253 ( 0.000 -3.506 8.943) 9.606 3.443 ( 0.000 -1.111 1.532) 1.892 3.542 ( 0.000 -2.306 10.119) 10.379 3.749 ( -0.000 8.514 4.398) 9.583 4.196 ( 0.000 -2.104 7.149) 7.452 4.352 ( -0.000 1.309 -17.046) 17.097 4.660 ( -0.000 10.253 8.585) 13.373 4.932 ( 0.000 -6.572 -4.411) 7.916 5.145 ( 0.000 -1.236 -2.620) 2.897 5.484 ( 0.000 -1.901 3.553) 4.030 6.246 ( -0.000 8.251 -1.554) 8.396 6.390 ( -0.000 7.923 -8.670) 11.744 6.654 ( 0.000 -10.729 -5.361) 11.994 6.698 ( 0.000 -17.291 -0.592) 17.301 6.856 ( -0.000 1.744 1.339) 2.199 7.002 ( -0.000 7.926 -8.079) 11.318 7.244 ( -0.000 9.603 -15.110) 17.904 7.410 ( -0.000 1.975 -1.311) 2.371 7.427 ( 0.000 -4.158 5.908) 7.225 7.812 ( 0.000 -3.610 -7.120) 7.983 7.856 ( 0.000 -1.606 -3.752) 4.081 8.065 ( -0.000 3.448 10.188) 10.756 8.197 ( -0.000 3.391 -0.610) 3.446 8.437 ( 0.000 -5.557 -0.719) 5.603 8.515 ( 0.000 -1.753 -6.403) 6.638 8.531 ( 0.000 -1.064 -0.880) 1.381 8.582 ( 0.000 -1.695 0.597) 1.797 8.845 ( 0.000 -6.248 4.060) 7.451 9.250 ( 0.000 -2.999 3.548) 4.645 9.265 ( 0.000 -16.853 -0.712) 16.868 9.382 ( -0.000 0.500 -4.038) 4.069 9.400 ( 0.000 -1.372 0.153) 1.381 9.504 ( 0.000 -4.616 -1.730) 4.930 9.895 ( -0.000 1.729 8.305) 8.483 10.058 ( 0.000 -10.870 -4.845) 11.901 10.230 ( -0.000 11.079 4.543) 11.974 10.335 ( -0.000 -0.247 -5.429) 5.434 10.523 ( -0.000 4.167 -0.996) 4.285 10.639 ( -0.000 0.223 1.047) 1.070 10.746 ( -0.000 11.844 1.086) 11.894 11.021 ( -0.000 3.730 0.860) 3.828 11.467 ( -0.000 1.777 -1.697) 2.457 11.619 ( -0.000 1.400 1.655) 2.168 11.736 ( 0.000 -0.671 0.695) 0.966 11.829 ( 0.000 -1.320 -2.517) 2.842 12.115 ( -0.000 2.202 1.562) 2.700 12.167 ( -0.000 1.439 11.330) 11.421 12.274 ( -0.000 0.209 -1.204) 1.222 12.460 ( 0.000 -1.820 -1.398) 2.295 12.558 ( -0.000 2.516 -10.803) 11.092 12.933 ( -0.000 5.006 4.168) 6.514 13.142 ( -0.000 6.061 -4.532) 7.569 13.416 ( 0.000 -1.641 0.810) 1.831 13.437 ( 0.000 -5.206 -7.154) 8.848 13.836 ( 0.000 -8.333 0.748) 8.367 14.184 ( 0.000 -1.342 4.915) 5.095 14.264 ( 0.000 0.138 2.446) 2.450 14.398 ( -0.000 2.461 2.472) 3.488 14.809 ( 0.000 -4.727 1.819) 5.065 14.936 ( 0.000 -0.104 0.235) 0.257 14.999 ( 0.000 -6.829 0.646) 6.859 15.194 ( -0.000 8.469 -2.600) 8.859 15.213 ( -0.000 0.616 0.971) 1.150 15.283 ( 0.000 -0.729 -1.889) 2.024 15.380 ( 0.000 -0.756 2.740) 2.842 15.503 ( 0.000 0.061 1.507) 1.509 15.556 ( 0.000 -5.590 -1.555) 5.802 15.726 ( 0.000 -5.630 -4.079) 6.952 15.826 ( 0.000 -3.536 -3.215) 4.779 15.992 ( -0.000 1.567 0.188) 1.579 16.109 ( -0.000 -0.155 -1.884) 1.891 16.233 ( -0.000 9.539 7.725) 12.275 16.491 ( -0.000 12.442 -7.325) 14.438 16.648 ( 0.000 -0.492 1.459) 1.540 16.759 ( 0.000 -1.129 1.570) 1.933 16.801 ( -0.000 7.445 -13.130) 15.094 17.045 ( 0.000 -3.942 8.790) 9.633 17.073 ( -0.000 4.515 3.446) 5.680 17.123 ( -0.000 1.511 -1.076) 1.855 17.325 ( 0.000 -7.119 -2.972) 7.714 17.600 ( 0.000 -2.828 -10.890) 11.251 17.869 ( 0.000 -3.475 6.827) 7.660 17.957 ( 0.000 -11.889 2.603) 12.170 18.254 ( -0.000 3.130 2.595) 4.066 18.409 ( -0.000 2.266 -0.437) 2.308 18.855 ( 0.000 -2.730 3.226) 4.226 18.957 ( -0.000 8.385 9.419) 12.611 19.335 ( -0.000 13.801 -5.728) 14.943 19.643 ( 0.000 -0.141 18.600) 18.600 20.440 ( -0.000 2.870 -14.919) 15.193 20.722 ( 0.000 -0.707 -2.176) 2.288 21.098 ( 0.000 -1.514 -9.942) 10.057 22.847 ( 0.000 -12.227 8.896) 15.121 ======================= Grid point 109 (65/72) ======================= q-point: ( 0.30 0.45 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -3.239 0.000 15.698) 16.029 2.184 ( 7.194 0.000 12.226) 14.186 2.200 ( 7.392 0.000 6.396) 9.775 2.585 ( 10.561 0.000 13.649) 17.258 2.685 ( 7.696 0.000 1.122) 7.777 3.026 ( -6.107 -0.000 -5.293) 8.081 3.366 ( 1.903 0.000 15.690) 15.805 3.379 ( -6.528 -0.000 -0.353) 6.538 3.623 ( 2.854 0.000 10.725) 11.098 3.716 ( 9.127 -0.000 -7.532) 11.834 4.277 ( 0.246 0.000 8.698) 8.702 4.407 ( -8.583 -0.000 2.974) 9.083 4.426 ( 9.000 -0.000 -8.439) 12.338 4.971 ( -3.816 -0.000 -3.266) 5.023 5.259 ( 2.701 0.000 -0.054) 2.702 5.419 ( -6.751 0.000 3.757) 7.726 6.007 ( -0.077 -0.000 -1.153) 1.156 6.482 ( 8.711 -0.000 -11.076) 14.091 6.776 ( -3.223 -0.000 -7.226) 7.913 6.843 ( 0.178 -0.000 -1.207) 1.220 6.881 ( 1.517 -0.000 -1.734) 2.304 6.894 ( -3.446 -0.000 -4.696) 5.825 7.179 ( 6.695 -0.000 -10.396) 12.365 7.364 ( -2.891 -0.000 -1.324) 3.180 7.450 ( 0.428 0.000 0.204) 0.474 7.567 ( -12.995 -0.000 -1.487) 13.080 7.971 ( -3.789 0.000 11.311) 11.929 8.232 ( 6.935 0.000 1.422) 7.079 8.312 ( 21.392 0.000 -1.879) 21.474 8.386 ( -3.150 -0.000 -1.798) 3.627 8.468 ( -3.093 -0.000 -5.331) 6.164 8.556 ( 1.365 -0.000 -1.687) 2.170 8.673 ( 4.351 -0.000 -4.911) 6.561 9.072 ( 9.292 0.000 2.806) 9.707 9.336 ( -1.379 -0.000 -0.064) 1.380 9.409 ( 8.180 0.000 -0.443) 8.192 9.436 ( 1.497 -0.000 -2.673) 3.064 9.617 ( -6.208 0.000 11.544) 13.107 9.698 ( 12.885 0.000 -1.183) 12.939 9.863 ( 7.478 0.000 -0.595) 7.502 9.911 ( -4.991 -0.000 -4.726) 6.874 10.065 ( -7.764 -0.000 -0.570) 7.785 10.285 ( -10.855 0.000 6.496) 12.651 10.412 ( 1.978 -0.000 -1.985) 2.802 10.536 ( -9.693 -0.000 -4.441) 10.662 10.665 ( -2.745 -0.000 -9.378) 9.772 10.916 ( 3.557 0.000 6.594) 7.493 11.317 ( -11.883 -0.000 2.864) 12.223 11.578 ( -4.309 -0.000 0.875) 4.397 11.709 ( -6.943 0.000 4.353) 8.195 11.810 ( -3.629 -0.000 -2.863) 4.622 12.188 ( 6.236 0.000 7.179) 9.509 12.208 ( 9.006 0.000 6.735) 11.246 12.317 ( 3.893 0.000 0.513) 3.927 12.579 ( 3.575 -0.000 -4.377) 5.651 12.685 ( 4.174 -0.000 -1.893) 4.583 12.717 ( 3.522 -0.000 -7.688) 8.457 13.066 ( -1.347 -0.000 -4.551) 4.746 13.275 ( -17.269 -0.000 -7.895) 18.988 13.320 ( -10.898 -0.000 2.369) 11.153 14.099 ( 13.178 0.000 1.893) 13.313 14.178 ( -2.711 0.000 5.469) 6.104 14.240 ( -0.452 0.000 1.273) 1.351 14.524 ( 11.785 0.000 1.109) 11.837 14.812 ( -4.696 -0.000 1.838) 5.043 14.920 ( -10.097 -0.000 -1.843) 10.264 14.922 ( -6.242 -0.000 -1.462) 6.411 14.988 ( -1.747 0.000 1.295) 2.174 15.216 ( 3.687 0.000 2.630) 4.529 15.355 ( 3.212 -0.000 -4.753) 5.737 15.438 ( 1.280 0.000 12.577) 12.642 15.496 ( -0.668 0.000 3.174) 3.244 15.663 ( -1.570 0.000 1.894) 2.460 15.801 ( -4.284 -0.000 -6.036) 7.402 15.970 ( -5.407 0.000 2.520) 5.965 16.010 ( 2.406 0.000 1.871) 3.047 16.086 ( 5.729 -0.000 -16.111) 17.099 16.167 ( 3.202 0.000 1.604) 3.581 16.237 ( 3.231 -0.000 -4.181) 5.284 16.581 ( -7.310 -0.000 2.465) 7.714 16.685 ( -2.046 -0.000 -9.742) 9.955 16.819 ( 4.902 0.000 0.287) 4.911 16.969 ( -2.871 -0.000 0.057) 2.872 17.070 ( -2.710 -0.000 -1.985) 3.359 17.119 ( 1.364 0.000 6.240) 6.387 17.471 ( 0.003 0.000 0.269) 0.269 17.501 ( -10.953 -0.000 -7.665) 13.369 17.867 ( 0.798 0.000 2.140) 2.284 18.182 ( 2.430 0.000 5.957) 6.433 18.194 ( 1.097 0.000 2.228) 2.483 18.448 ( 2.619 -0.000 -2.472) 3.601 18.549 ( -21.290 -0.000 4.227) 21.705 18.844 ( 1.265 0.000 8.586) 8.678 19.318 ( 11.573 0.000 -3.949) 12.228 19.844 ( 13.693 0.000 16.427) 21.385 20.643 ( 18.991 -0.000 -13.607) 23.363 20.871 ( 14.238 0.000 -3.169) 14.586 21.154 ( 3.460 -0.000 -10.675) 11.222 22.944 ( -4.185 0.000 8.042) 9.065 ======================= Grid point 118 (66/72) ======================= q-point: (-0.33 0.33 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 0.000 -3.084 -0.000) 3.084 2.173 ( -0.000 3.098 0.000) 3.098 2.669 ( 0.000 -15.053 -0.000) 15.053 2.683 ( -0.000 8.827 0.000) 8.827 2.739 ( -0.000 1.975 0.000) 1.975 3.158 ( 0.000 -9.449 -0.000) 9.449 3.330 ( -0.000 21.337 0.000) 21.337 3.486 ( 0.000 -21.729 -0.000) 21.729 3.533 ( -0.000 14.148 0.000) 14.148 3.679 ( 0.000 -0.658 -0.000) 0.658 3.875 ( 0.000 -11.939 -0.000) 11.939 4.619 ( 0.000 -16.009 -0.000) 16.009 4.662 ( -0.000 28.332 0.000) 28.332 4.762 ( 0.000 -10.580 -0.000) 10.580 5.309 ( -0.000 5.276 0.000) 5.276 5.685 ( -0.000 22.015 0.000) 22.015 6.010 ( 0.000 -5.517 -0.000) 5.517 6.211 ( 0.000 -23.988 -0.000) 23.988 6.345 ( 0.000 -15.658 -0.000) 15.658 6.857 ( -0.000 3.639 0.000) 3.639 7.048 ( -0.000 3.332 0.000) 3.332 7.141 ( -0.000 24.825 0.000) 24.825 7.210 ( -0.000 17.461 0.000) 17.461 7.374 ( 0.000 -9.597 -0.000) 9.597 7.438 ( -0.000 1.689 0.000) 1.689 7.678 ( 0.000 -3.988 -0.000) 3.988 7.826 ( -0.000 1.428 0.000) 1.428 8.233 ( -0.000 1.641 0.000) 1.641 8.242 ( -0.000 0.085 0.000) 0.085 8.261 ( -0.000 3.352 0.000) 3.352 8.413 ( 0.000 -13.031 -0.000) 13.031 8.443 ( 0.000 -8.294 -0.000) 8.294 8.513 ( -0.000 0.659 0.000) 0.659 8.836 ( -0.000 4.389 0.000) 4.389 8.931 ( 0.000 -12.522 -0.000) 12.522 9.262 ( 0.000 -2.873 -0.000) 2.873 9.405 ( -0.000 2.321 0.000) 2.321 9.466 ( -0.000 11.793 0.000) 11.793 9.469 ( -0.000 0.758 0.000) 0.758 9.720 ( 0.000 -13.068 -0.000) 13.068 9.971 ( 0.000 -10.359 -0.000) 10.359 10.131 ( -0.000 2.588 0.000) 2.588 10.557 ( -0.000 8.511 0.000) 8.511 10.612 ( -0.000 3.251 0.000) 3.251 10.614 ( 0.000 -8.233 -0.000) 8.233 10.979 ( -0.000 7.786 0.000) 7.786 11.042 ( 0.000 -0.953 -0.000) 0.953 11.326 ( 0.000 -6.369 -0.000) 6.369 11.704 ( 0.000 -0.898 -0.000) 0.898 11.782 ( 0.000 -1.615 -0.000) 1.615 11.817 ( -0.000 9.775 0.000) 9.775 12.199 ( -0.000 4.378 0.000) 4.378 12.290 ( -0.000 2.104 0.000) 2.104 12.337 ( -0.000 0.956 0.000) 0.956 12.347 ( 0.000 -5.790 -0.000) 5.790 12.613 ( -0.000 12.896 0.000) 12.896 13.166 ( -0.000 10.352 0.000) 10.352 13.186 ( 0.000 -8.552 -0.000) 8.552 13.275 ( -0.000 9.701 0.000) 9.701 13.361 ( 0.000 -3.956 -0.000) 3.956 13.613 ( 0.000 -12.769 -0.000) 12.769 14.218 ( 0.000 -0.011 -0.000) 0.011 14.270 ( 0.000 -1.539 -0.000) 1.539 14.521 ( -0.000 2.770 0.000) 2.770 14.579 ( 0.000 -21.034 -0.000) 21.034 14.765 ( 0.000 -1.172 -0.000) 1.172 14.938 ( 0.000 -0.017 -0.000) 0.017 15.213 ( 0.000 -0.728 -0.000) 0.728 15.300 ( -0.000 2.413 0.000) 2.413 15.322 ( -0.000 0.145 0.000) 0.145 15.472 ( -0.000 7.332 0.000) 7.332 15.485 ( 0.000 -2.050 -0.000) 2.050 15.569 ( -0.000 5.367 0.000) 5.367 15.634 ( -0.000 1.100 0.000) 1.100 15.819 ( -0.000 5.172 0.000) 5.172 16.043 ( -0.000 2.566 0.000) 2.566 16.087 ( 0.000 -0.131 -0.000) 0.131 16.521 ( -0.000 3.685 0.000) 3.685 16.620 ( 0.000 -0.649 -0.000) 0.649 16.647 ( 0.000 -0.805 -0.000) 0.805 16.689 ( -0.000 0.899 0.000) 0.899 16.739 ( 0.000 -1.888 -0.000) 1.888 17.111 ( 0.000 -1.140 -0.000) 1.140 17.121 ( 0.000 -0.168 -0.000) 0.168 17.150 ( 0.000 -0.614 -0.000) 0.614 17.349 ( -0.000 12.273 0.000) 12.273 17.360 ( 0.000 -4.951 -0.000) 4.951 17.728 ( 0.000 -9.248 -0.000) 9.248 17.888 ( -0.000 1.845 0.000) 1.845 18.279 ( 0.000 -1.328 -0.000) 1.328 18.499 ( -0.000 0.581 0.000) 0.581 18.805 ( 0.000 -4.536 -0.000) 4.536 19.027 ( 0.000 -10.974 -0.000) 10.974 19.406 ( -0.000 0.303 0.000) 0.303 20.166 ( -0.000 10.225 0.000) 10.225 20.219 ( -0.000 11.394 0.000) 11.394 20.744 ( -0.000 4.509 0.000) 4.509 21.018 ( -0.000 4.652 0.000) 4.652 22.613 ( 0.000 -17.638 -0.000) 17.638 ======================= Grid point 123 (67/72) ======================= q-point: (-0.49 -0.51 0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -0.986 2.089 0.000) 2.310 2.230 ( 10.083 -0.691 -0.000) 10.107 2.442 ( -2.148 9.840 0.000) 10.072 2.654 ( -0.329 -0.610 -0.000) 0.693 2.889 ( 2.129 -0.684 -0.000) 2.236 2.996 ( 9.171 12.797 0.000) 15.743 3.314 ( -2.155 -8.516 -0.000) 8.784 3.438 ( 5.237 -1.914 -0.000) 5.576 3.652 ( -3.590 -2.614 -0.000) 4.441 3.965 ( 7.781 -3.840 -0.000) 8.676 4.062 ( -1.011 12.025 0.000) 12.067 4.384 ( 3.036 -8.565 -0.000) 9.087 4.518 ( -15.575 3.099 0.000) 15.880 4.795 ( -4.867 -4.022 -0.000) 6.314 5.276 ( 7.604 -1.039 -0.000) 7.675 5.552 ( 1.638 4.970 0.000) 5.233 6.184 ( 2.672 1.440 -0.000) 3.035 6.390 ( 3.785 15.812 0.000) 16.259 6.613 ( -2.648 -6.584 -0.000) 7.097 6.638 ( -2.974 -16.452 -0.000) 16.718 6.871 ( -1.129 1.079 0.000) 1.562 6.985 ( 4.619 11.271 0.000) 12.181 7.057 ( 7.431 1.972 -0.000) 7.689 7.353 ( -4.619 0.793 0.000) 4.687 7.526 ( -6.396 -4.750 -0.000) 7.967 7.579 ( -0.025 7.415 0.000) 7.415 8.026 ( 4.786 -6.680 -0.000) 8.217 8.187 ( 4.268 2.104 -0.000) 4.758 8.286 ( 9.133 2.358 -0.000) 9.432 8.356 ( -2.969 -3.892 -0.000) 4.895 8.504 ( -2.536 -3.867 -0.000) 4.624 8.557 ( 2.838 -4.782 -0.000) 5.561 8.558 ( 9.252 7.997 0.000) 12.229 8.974 ( 3.413 -16.865 -0.000) 17.207 9.243 ( -2.645 -9.205 -0.000) 9.578 9.307 ( 0.818 3.546 0.000) 3.639 9.370 ( 4.362 -9.461 -0.000) 10.418 9.429 ( 5.330 -3.574 -0.000) 6.418 9.597 ( 7.606 -0.896 -0.000) 7.659 9.933 ( -1.849 -2.174 -0.000) 2.854 10.047 ( -3.363 -0.210 0.000) 3.370 10.161 ( -0.984 -9.125 -0.000) 9.178 10.321 ( 3.067 15.813 0.000) 16.107 10.474 ( -3.272 2.198 0.000) 3.942 10.573 ( -20.319 10.377 0.000) 22.815 10.658 ( 2.136 7.383 0.000) 7.686 11.006 ( 2.945 0.446 -0.000) 2.979 11.332 ( -11.553 -1.977 0.000) 11.721 11.606 ( -1.669 3.461 0.000) 3.842 11.764 ( -4.243 0.276 0.000) 4.252 11.764 ( -3.538 -0.484 0.000) 3.571 12.261 ( 4.706 -0.185 -0.000) 4.710 12.354 ( 8.890 0.300 -0.000) 8.896 12.375 ( -0.110 1.867 0.000) 1.870 12.445 ( 18.650 2.671 -0.000) 18.840 12.630 ( 13.441 -2.071 -0.000) 13.600 12.733 ( -19.216 4.814 0.000) 19.810 13.075 ( -6.542 4.121 0.000) 7.732 13.147 ( -12.315 -1.918 0.000) 12.464 13.337 ( -8.964 -0.795 0.000) 8.999 14.025 ( 12.821 -8.027 -0.000) 15.126 14.232 ( 0.539 -0.623 -0.000) 0.824 14.250 ( -3.423 -0.353 0.000) 3.441 14.566 ( 9.924 2.257 -0.000) 10.177 14.824 ( -2.167 -3.829 -0.000) 4.399 14.865 ( -0.129 -2.027 -0.000) 2.031 14.944 ( -12.617 7.380 0.000) 14.617 15.043 ( -1.529 -3.155 -0.000) 3.506 15.264 ( -0.602 0.191 0.000) 0.632 15.293 ( 3.623 1.706 -0.000) 4.004 15.395 ( -1.562 -11.990 -0.000) 12.092 15.505 ( -0.864 -2.363 -0.000) 2.516 15.673 ( 3.764 -2.832 -0.000) 4.710 15.703 ( -0.070 -0.271 -0.000) 0.280 15.752 ( 2.276 -1.514 -0.000) 2.734 16.028 ( 3.188 1.700 -0.000) 3.613 16.109 ( 1.600 1.086 0.000) 1.934 16.313 ( -5.620 5.990 0.000) 8.214 16.350 ( -7.639 10.209 0.000) 12.751 16.585 ( 0.654 1.506 0.000) 1.642 16.718 ( 4.261 9.054 0.000) 10.006 16.828 ( 4.064 0.074 -0.000) 4.065 17.030 ( -7.663 5.337 0.000) 9.338 17.031 ( -5.989 -2.609 0.000) 6.532 17.181 ( 0.864 -0.982 -0.000) 1.309 17.290 ( 2.188 -5.695 -0.000) 6.101 17.381 ( -6.595 -3.095 0.000) 7.285 17.995 ( 3.000 -0.492 -0.000) 3.040 18.007 ( 2.372 -12.809 -0.000) 13.027 18.300 ( 2.319 1.171 -0.000) 2.598 18.424 ( 1.564 3.126 0.000) 3.495 18.591 ( -22.887 1.037 0.000) 22.910 19.118 ( 2.953 9.827 0.000) 10.261 19.339 ( 7.449 7.139 0.000) 10.318 20.156 ( 13.941 0.725 -0.000) 13.960 20.355 ( 17.499 -0.081 -0.000) 17.499 20.826 ( 12.216 -0.590 -0.000) 12.230 21.021 ( 3.669 -1.802 -0.000) 4.087 22.893 ( -4.602 -11.924 -0.000) 12.781 ======================= Grid point 127 (68/72) ======================= q-point: ( 0.36 0.64 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -8.841 -0.000 0.000) 8.841 2.295 ( -0.687 -0.000 0.000) 0.687 2.481 ( 13.640 0.000 -0.000) 13.640 2.811 ( -3.840 -0.000 0.000) 3.840 2.895 ( 3.185 0.000 -0.000) 3.185 2.948 ( 12.731 0.000 -0.000) 12.731 3.365 ( -2.499 -0.000 0.000) 2.499 3.589 ( -6.222 -0.000 0.000) 6.222 3.867 ( 19.256 0.000 -0.000) 19.256 3.887 ( 11.195 0.000 -0.000) 11.195 4.022 ( 2.184 0.000 -0.000) 2.184 4.098 ( -22.358 -0.000 0.000) 22.358 4.350 ( -16.821 -0.000 0.000) 16.821 5.025 ( 4.267 0.000 -0.000) 4.267 5.294 ( -9.153 -0.000 0.000) 9.153 5.448 ( 5.998 0.000 -0.000) 5.998 6.018 ( -0.028 -0.000 0.000) 0.028 6.607 ( 16.691 0.000 -0.000) 16.691 6.629 ( -3.499 -0.000 0.000) 3.499 6.808 ( 2.829 0.000 -0.000) 2.829 6.899 ( 3.314 0.000 -0.000) 3.314 6.940 ( 3.981 0.000 -0.000) 3.981 7.199 ( 6.489 0.000 -0.000) 6.489 7.245 ( -6.697 -0.000 0.000) 6.697 7.410 ( -4.869 -0.000 0.000) 4.869 7.512 ( 2.883 0.000 -0.000) 2.883 7.976 ( -5.885 -0.000 0.000) 5.885 8.276 ( -5.544 -0.000 0.000) 5.544 8.306 ( -1.340 -0.000 0.000) 1.340 8.509 ( 15.065 0.000 -0.000) 15.065 8.513 ( -0.932 -0.000 0.000) 0.932 8.686 ( 1.561 0.000 -0.000) 1.561 8.757 ( 15.400 0.000 -0.000) 15.400 9.168 ( -0.223 -0.000 0.000) 0.223 9.297 ( -1.523 -0.000 0.000) 1.523 9.494 ( -16.129 -0.000 0.000) 16.129 9.540 ( 9.657 0.000 -0.000) 9.657 9.589 ( 5.343 0.000 -0.000) 5.343 9.622 ( -6.064 -0.000 0.000) 6.064 9.825 ( 8.253 0.000 -0.000) 8.253 10.117 ( -16.156 -0.000 0.000) 16.156 10.164 ( 29.636 0.000 -0.000) 29.636 10.260 ( -7.095 -0.000 0.000) 7.095 10.365 ( -4.905 -0.000 0.000) 4.905 10.416 ( 26.827 0.000 -0.000) 26.827 10.546 ( -0.878 -0.000 0.000) 0.878 10.933 ( -23.933 -0.000 0.000) 23.933 11.067 ( 0.402 0.000 -0.000) 0.402 11.515 ( -16.467 -0.000 0.000) 16.467 11.538 ( -2.174 -0.000 0.000) 2.174 11.638 ( -11.517 -0.000 0.000) 11.517 12.307 ( -14.940 -0.000 0.000) 14.940 12.395 ( 2.662 0.000 -0.000) 2.662 12.405 ( 2.755 0.000 -0.000) 2.755 12.541 ( 16.423 0.000 -0.000) 16.423 12.722 ( -19.704 -0.000 0.000) 19.704 12.906 ( 24.305 0.000 -0.000) 24.305 12.951 ( 1.442 0.000 -0.000) 1.442 13.091 ( 2.479 0.000 -0.000) 2.479 13.116 ( 0.724 0.000 -0.000) 0.724 14.154 ( -5.515 -0.000 0.000) 5.515 14.253 ( 0.718 0.000 -0.000) 0.718 14.345 ( 6.624 0.000 -0.000) 6.624 14.661 ( -6.097 -0.000 0.000) 6.097 14.745 ( 9.131 0.000 -0.000) 9.131 14.745 ( -8.851 -0.000 0.000) 8.851 14.783 ( -6.095 -0.000 0.000) 6.095 15.090 ( 6.812 0.000 -0.000) 6.812 15.225 ( -5.821 -0.000 0.000) 5.821 15.371 ( 5.502 0.000 -0.000) 5.502 15.484 ( -10.361 -0.000 0.000) 10.361 15.540 ( -5.160 -0.000 0.000) 5.160 15.551 ( 1.493 0.000 -0.000) 1.493 15.815 ( -13.488 -0.000 0.000) 13.488 15.883 ( 1.496 0.000 -0.000) 1.496 15.941 ( -1.312 -0.000 0.000) 1.312 16.080 ( 3.789 0.000 -0.000) 3.789 16.209 ( -0.981 -0.000 0.000) 0.981 16.286 ( 5.801 0.000 -0.000) 5.801 16.548 ( 3.949 0.000 -0.000) 3.949 16.647 ( 6.027 0.000 -0.000) 6.027 16.745 ( -5.664 -0.000 0.000) 5.664 16.962 ( -3.421 -0.000 0.000) 3.421 17.029 ( 7.332 0.000 -0.000) 7.332 17.218 ( 1.582 0.000 -0.000) 1.582 17.264 ( -6.180 -0.000 0.000) 6.180 17.453 ( -1.637 -0.000 0.000) 1.637 17.805 ( -8.404 -0.000 0.000) 8.404 18.191 ( -11.135 -0.000 0.000) 11.135 18.253 ( -0.691 -0.000 0.000) 0.691 18.289 ( 1.170 0.000 -0.000) 1.170 18.505 ( 4.501 0.000 -0.000) 4.501 18.915 ( -4.429 -0.000 0.000) 4.429 19.454 ( 9.205 0.000 -0.000) 9.205 20.453 ( 11.493 0.000 -0.000) 11.493 20.649 ( 12.583 0.000 -0.000) 12.583 21.170 ( 18.013 0.000 -0.000) 18.013 21.251 ( 15.964 0.000 -0.000) 15.964 22.912 ( -7.150 -0.000 0.000) 7.150 ======================= Grid point 136 (69/72) ======================= q-point: ( 0.38 0.38 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.000 0.000 10.220) 10.220 2.044 ( 0.000 0.000 24.156) 24.156 2.123 ( 0.000 0.000 2.752) 2.752 2.475 ( 0.000 0.000 19.127) 19.127 2.621 ( -0.000 -0.000 -1.865) 1.865 3.099 ( -0.000 -0.000 -9.698) 9.698 3.363 ( 0.000 0.000 16.751) 16.751 3.496 ( -0.000 -0.000 -7.002) 7.002 3.554 ( 0.000 0.000 22.297) 22.297 3.573 ( -0.000 -0.000 -3.700) 3.700 4.252 ( 0.000 0.000 23.906) 23.906 4.348 ( -0.000 -0.000 -22.420) 22.420 4.494 ( 0.000 0.000 6.046) 6.046 5.015 ( -0.000 -0.000 -1.854) 1.854 5.233 ( -0.000 -0.000 -6.636) 6.636 5.488 ( 0.000 0.000 4.256) 4.256 6.008 ( -0.000 -0.000 -1.702) 1.702 6.393 ( -0.000 -0.000 -13.079) 13.079 6.823 ( -0.000 -0.000 -4.475) 4.475 6.845 ( -0.000 -0.000 -1.716) 1.716 6.853 ( -0.000 -0.000 -4.876) 4.876 6.964 ( -0.000 -0.000 -5.373) 5.373 7.079 ( -0.000 -0.000 -11.975) 11.975 7.389 ( -0.000 -0.000 -1.372) 1.372 7.448 ( -0.000 -0.000 -0.222) 0.222 7.878 ( -0.000 -0.000 -4.836) 4.836 7.895 ( -0.000 -0.000 -3.470) 3.470 8.021 ( 0.000 0.000 12.071) 12.071 8.156 ( -0.000 -0.000 -0.023) 0.023 8.423 ( -0.000 -0.000 -3.509) 3.509 8.543 ( -0.000 -0.000 -1.856) 1.856 8.576 ( 0.000 0.000 1.926) 1.926 8.588 ( -0.000 -0.000 -6.457) 6.457 8.920 ( 0.000 0.000 4.229) 4.229 9.338 ( 0.000 0.000 0.545) 0.545 9.356 ( -0.000 -0.000 -3.505) 3.505 9.410 ( -0.000 -0.000 -0.845) 0.845 9.550 ( -0.000 -0.000 -4.471) 4.471 9.639 ( 0.000 0.000 0.657) 0.657 9.811 ( 0.000 0.000 15.964) 15.964 10.008 ( 0.000 0.000 0.540) 0.540 10.229 ( -0.000 -0.000 -4.167) 4.167 10.339 ( -0.000 -0.000 -4.495) 4.495 10.390 ( 0.000 0.000 0.718) 0.718 10.631 ( -0.000 -0.000 -0.868) 0.868 10.703 ( -0.000 -0.000 -12.354) 12.354 10.892 ( 0.000 0.000 10.629) 10.629 11.422 ( 0.000 0.000 5.321) 5.321 11.654 ( -0.000 -0.000 -2.927) 2.927 11.743 ( 0.000 0.000 1.888) 1.888 11.844 ( -0.000 -0.000 -3.098) 3.098 12.093 ( 0.000 0.000 2.539) 2.539 12.147 ( 0.000 0.000 11.515) 11.515 12.267 ( -0.000 -0.000 -0.581) 0.581 12.480 ( -0.000 -0.000 -1.371) 1.371 12.540 ( -0.000 -0.000 -12.365) 12.365 12.878 ( 0.000 0.000 3.220) 3.220 13.071 ( -0.000 -0.000 -4.885) 4.885 13.435 ( 0.000 0.000 1.790) 1.790 13.494 ( -0.000 -0.000 -7.519) 7.519 13.929 ( 0.000 0.000 0.377) 0.377 14.200 ( 0.000 0.000 4.148) 4.148 14.261 ( 0.000 0.000 2.954) 2.954 14.364 ( 0.000 0.000 1.796) 1.796 14.904 ( 0.000 0.000 6.073) 6.073 14.937 ( 0.000 0.000 0.187) 0.187 14.988 ( -0.000 -0.000 -1.805) 1.805 15.093 ( -0.000 -0.000 -4.219) 4.219 15.205 ( 0.000 0.000 1.151) 1.151 15.294 ( -0.000 -0.000 -2.965) 2.965 15.431 ( 0.000 0.000 8.780) 8.780 15.500 ( 0.000 0.000 2.688) 2.688 15.622 ( 0.000 0.000 0.619) 0.619 15.858 ( -0.000 -0.000 -7.438) 7.438 15.974 ( 0.000 0.000 0.146) 0.146 16.014 ( -0.000 -0.000 -15.271) 15.271 16.056 ( 0.000 0.000 6.901) 6.901 16.110 ( -0.000 -0.000 -2.178) 2.178 16.206 ( -0.000 -0.000 -2.121) 2.121 16.654 ( 0.000 0.000 1.726) 1.726 16.707 ( -0.000 -0.000 -12.650) 12.650 16.771 ( 0.000 0.000 1.720) 1.720 17.020 ( 0.000 0.000 1.977) 1.977 17.103 ( 0.000 0.000 7.132) 7.132 17.107 ( -0.000 -0.000 -0.973) 0.973 17.467 ( 0.000 0.000 0.452) 0.452 17.634 ( -0.000 -0.000 -10.592) 10.592 17.853 ( 0.000 0.000 3.872) 3.872 18.154 ( 0.000 0.000 7.204) 7.204 18.162 ( -0.000 -0.000 -0.009) 0.009 18.421 ( -0.000 -0.000 -3.306) 3.306 18.805 ( 0.000 0.000 11.438) 11.438 18.886 ( 0.000 0.000 3.417) 3.417 19.144 ( 0.000 0.000 1.240) 1.240 19.671 ( 0.000 0.000 15.067) 15.067 20.418 ( -0.000 -0.000 -12.090) 12.090 20.727 ( -0.000 -0.000 -2.450) 2.450 21.123 ( -0.000 -0.000 -11.182) 11.182 22.986 ( 0.000 0.000 8.170) 8.170 ======================= Grid point 150 (70/72) ======================= q-point: (-0.42 -0.58 0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 -0.658 -0.000) 0.658 2.129 ( -0.000 0.978 0.000) 0.978 2.466 ( -0.000 10.146 0.000) 10.146 2.708 ( -0.000 1.176 0.000) 1.176 2.759 ( -0.000 12.450 0.000) 12.450 2.958 ( -0.000 0.682 0.000) 0.682 3.343 ( 0.000 -6.498 -0.000) 6.498 3.387 ( 0.000 -1.544 -0.000) 1.544 3.706 ( 0.000 -1.528 -0.000) 1.528 3.838 ( 0.000 -10.517 -0.000) 10.517 4.093 ( -0.000 24.306 0.000) 24.306 4.326 ( 0.000 -23.130 -0.000) 23.130 4.687 ( -0.000 11.054 0.000) 11.054 4.887 ( 0.000 -9.350 -0.000) 9.350 5.159 ( -0.000 3.202 0.000) 3.202 5.535 ( -0.000 0.655 0.000) 0.655 6.129 ( 0.000 -4.493 -0.000) 4.493 6.375 ( -0.000 22.687 0.000) 22.687 6.657 ( 0.000 -5.689 -0.000) 5.689 6.696 ( 0.000 -18.427 -0.000) 18.427 6.903 ( -0.000 3.837 0.000) 3.837 6.909 ( -0.000 9.929 0.000) 9.929 6.961 ( -0.000 3.908 0.000) 3.908 7.396 ( -0.000 1.864 0.000) 1.864 7.582 ( -0.000 8.786 0.000) 8.786 7.672 ( 0.000 -14.941 -0.000) 14.941 7.817 ( 0.000 -0.362 -0.000) 0.362 8.183 ( -0.000 2.272 0.000) 2.272 8.192 ( -0.000 2.558 0.000) 2.558 8.408 ( 0.000 -9.304 -0.000) 9.304 8.457 ( -0.000 4.726 0.000) 4.726 8.512 ( 0.000 -0.247 -0.000) 0.247 8.590 ( 0.000 -2.697 -0.000) 2.697 8.892 ( 0.000 -6.375 -0.000) 6.375 9.252 ( 0.000 -16.706 -0.000) 16.706 9.304 ( 0.000 -1.287 -0.000) 1.287 9.322 ( -0.000 0.908 0.000) 0.908 9.391 ( 0.000 -0.938 -0.000) 0.938 9.480 ( 0.000 -4.356 -0.000) 4.356 10.007 ( 0.000 -12.531 -0.000) 12.531 10.126 ( 0.000 -1.462 -0.000) 1.462 10.146 ( 0.000 -3.972 -0.000) 3.972 10.294 ( -0.000 15.539 0.000) 15.539 10.507 ( -0.000 6.237 0.000) 6.237 10.630 ( -0.000 5.025 0.000) 5.025 10.759 ( -0.000 10.982 0.000) 10.982 11.041 ( -0.000 1.517 0.000) 1.517 11.456 ( 0.000 -5.502 -0.000) 5.502 11.637 ( -0.000 5.397 0.000) 5.397 11.746 ( 0.000 -2.338 -0.000) 2.338 11.794 ( 0.000 -0.027 -0.000) 0.027 12.138 ( -0.000 1.290 0.000) 1.290 12.268 ( -0.000 0.571 0.000) 0.571 12.306 ( -0.000 1.780 0.000) 1.780 12.431 ( -0.000 4.108 0.000) 4.108 12.436 ( 0.000 -2.547 -0.000) 2.547 12.982 ( -0.000 6.250 0.000) 6.250 13.093 ( -0.000 6.555 0.000) 6.555 13.341 ( 0.000 -5.496 -0.000) 5.496 13.430 ( 0.000 -2.197 -0.000) 2.197 13.845 ( 0.000 -8.023 -0.000) 8.023 14.226 ( 0.000 -0.558 -0.000) 0.558 14.289 ( 0.000 -0.403 -0.000) 0.403 14.443 ( -0.000 3.612 0.000) 3.612 14.821 ( 0.000 -5.652 -0.000) 5.652 14.939 ( 0.000 -0.051 -0.000) 0.051 15.001 ( 0.000 -10.274 -0.000) 10.274 15.163 ( -0.000 10.214 0.000) 10.214 15.229 ( 0.000 -0.707 -0.000) 0.707 15.257 ( -0.000 1.433 0.000) 1.433 15.412 ( 0.000 -6.728 -0.000) 6.728 15.519 ( 0.000 -1.059 -0.000) 1.059 15.564 ( 0.000 -3.623 -0.000) 3.623 15.637 ( 0.000 -1.259 -0.000) 1.259 15.819 ( 0.000 -1.886 -0.000) 1.886 15.996 ( -0.000 1.629 0.000) 1.629 16.086 ( -0.000 0.157 0.000) 0.157 16.336 ( -0.000 10.046 0.000) 10.046 16.473 ( -0.000 18.035 0.000) 18.035 16.580 ( -0.000 3.105 0.000) 3.105 16.666 ( 0.000 -0.793 -0.000) 0.793 16.772 ( 0.000 -1.096 -0.000) 1.096 17.108 ( -0.000 0.882 0.000) 0.882 17.135 ( -0.000 7.127 0.000) 7.127 17.173 ( 0.000 -0.971 -0.000) 0.971 17.252 ( 0.000 -11.677 -0.000) 11.677 17.464 ( 0.000 -3.931 -0.000) 3.931 17.959 ( 0.000 -3.060 -0.000) 3.060 17.976 ( 0.000 -12.624 -0.000) 12.624 18.273 ( -0.000 1.293 0.000) 1.293 18.399 ( -0.000 6.222 0.000) 6.222 18.889 ( 0.000 -2.916 -0.000) 2.916 19.073 ( -0.000 6.268 0.000) 6.268 19.254 ( -0.000 10.147 0.000) 10.147 20.006 ( -0.000 2.937 0.000) 2.937 20.127 ( 0.000 -0.725 -0.000) 0.725 20.701 ( -0.000 0.402 0.000) 0.402 20.992 ( 0.000 -0.789 -0.000) 0.789 22.940 ( 0.000 -11.680 -0.000) 11.680 ======================= Grid point 154 (71/72) ======================= q-point: ( 0.43 0.57 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -2.828 -0.000 0.000) 2.828 2.237 ( 10.075 0.000 -0.000) 10.075 2.319 ( -1.461 -0.000 0.000) 1.461 2.696 ( 11.298 0.000 -0.000) 11.298 2.743 ( 4.858 0.000 -0.000) 4.858 2.952 ( -3.717 -0.000 0.000) 3.717 3.400 ( -1.004 -0.000 0.000) 1.004 3.603 ( 7.843 0.000 -0.000) 7.843 3.682 ( -3.653 -0.000 0.000) 3.653 3.740 ( 3.957 0.000 -0.000) 3.957 3.994 ( 2.427 0.000 -0.000) 2.427 4.441 ( -12.052 -0.000 0.000) 12.052 4.585 ( -6.679 -0.000 0.000) 6.679 4.935 ( 0.882 0.000 -0.000) 0.882 5.288 ( 9.968 0.000 -0.000) 9.968 5.458 ( -6.865 -0.000 0.000) 6.865 6.013 ( 0.360 0.000 -0.000) 0.360 6.323 ( 10.823 0.000 -0.000) 10.823 6.703 ( -4.038 -0.000 0.000) 4.038 6.805 ( -2.967 -0.000 0.000) 2.967 6.852 ( 1.580 0.000 -0.000) 1.580 6.865 ( 3.684 0.000 -0.000) 3.684 7.058 ( 7.633 0.000 -0.000) 7.633 7.346 ( -3.152 -0.000 0.000) 3.152 7.473 ( 1.121 0.000 -0.000) 1.121 7.559 ( -10.601 -0.000 0.000) 10.601 8.100 ( -5.730 -0.000 0.000) 5.730 8.256 ( 9.700 0.000 -0.000) 9.700 8.291 ( 25.846 0.000 -0.000) 25.846 8.352 ( -2.822 -0.000 0.000) 2.822 8.391 ( -6.049 -0.000 0.000) 6.049 8.540 ( -2.432 -0.000 0.000) 2.432 8.624 ( 4.633 0.000 -0.000) 4.633 9.099 ( 7.258 0.000 -0.000) 7.258 9.327 ( -0.427 -0.000 0.000) 0.427 9.406 ( 8.936 0.000 -0.000) 8.936 9.409 ( 2.885 0.000 -0.000) 2.885 9.687 ( 17.595 0.000 -0.000) 17.595 9.744 ( 7.325 0.000 -0.000) 7.325 9.835 ( -17.789 -0.000 0.000) 17.789 9.868 ( -12.984 -0.000 0.000) 12.984 10.110 ( 0.470 0.000 -0.000) 0.470 10.362 ( -3.442 -0.000 0.000) 3.442 10.376 ( 5.357 0.000 -0.000) 5.357 10.474 ( -16.399 -0.000 0.000) 16.399 10.545 ( -0.337 -0.000 0.000) 0.337 10.993 ( 3.374 0.000 -0.000) 3.374 11.353 ( -16.457 -0.000 0.000) 16.457 11.572 ( -1.232 -0.000 0.000) 1.232 11.761 ( -5.900 -0.000 0.000) 5.900 11.767 ( -3.052 -0.000 0.000) 3.052 12.258 ( 6.814 0.000 -0.000) 6.814 12.360 ( 0.150 0.000 -0.000) 0.150 12.363 ( 4.148 0.000 -0.000) 4.148 12.410 ( 22.966 0.000 -0.000) 22.966 12.656 ( 15.016 0.000 -0.000) 15.016 12.678 ( -18.876 -0.000 0.000) 18.876 13.017 ( -1.688 -0.000 0.000) 1.688 13.180 ( -17.462 -0.000 0.000) 17.462 13.343 ( -10.538 -0.000 0.000) 10.538 14.120 ( 14.199 0.000 -0.000) 14.199 14.241 ( 0.520 0.000 -0.000) 0.520 14.251 ( -3.939 -0.000 0.000) 3.939 14.539 ( 11.062 0.000 -0.000) 11.062 14.850 ( -12.436 -0.000 0.000) 12.436 14.853 ( -3.610 -0.000 0.000) 3.610 14.899 ( -6.073 -0.000 0.000) 6.073 15.039 ( 1.591 0.000 -0.000) 1.591 15.264 ( 0.257 0.000 -0.000) 0.257 15.272 ( 3.350 0.000 -0.000) 3.350 15.534 ( 0.433 0.000 -0.000) 0.433 15.646 ( -4.560 -0.000 0.000) 4.560 15.715 ( -7.246 -0.000 0.000) 7.246 15.771 ( 6.290 0.000 -0.000) 6.290 15.779 ( 12.530 0.000 -0.000) 12.530 16.008 ( 2.961 0.000 -0.000) 2.961 16.020 ( -6.990 -0.000 0.000) 6.990 16.182 ( 4.123 0.000 -0.000) 4.123 16.214 ( 0.266 0.000 -0.000) 0.266 16.563 ( 2.638 0.000 -0.000) 2.638 16.608 ( -6.093 -0.000 0.000) 6.093 16.825 ( 1.545 0.000 -0.000) 1.545 16.973 ( -4.780 -0.000 0.000) 4.780 17.045 ( -4.402 -0.000 0.000) 4.402 17.192 ( 0.958 0.000 -0.000) 0.958 17.411 ( -7.973 -0.000 0.000) 7.973 17.468 ( -0.032 -0.000 0.000) 0.032 17.887 ( -1.050 -0.000 0.000) 1.050 18.217 ( 4.902 0.000 -0.000) 4.902 18.254 ( 0.275 0.000 -0.000) 0.275 18.412 ( 4.289 0.000 -0.000) 4.289 18.591 ( -24.858 -0.000 0.000) 24.858 18.954 ( 0.068 0.000 -0.000) 0.068 19.255 ( 9.974 0.000 -0.000) 9.974 20.162 ( 15.145 0.000 -0.000) 15.145 20.360 ( 16.073 0.000 -0.000) 16.073 20.839 ( 13.533 0.000 -0.000) 13.533 21.047 ( 5.016 0.000 -0.000) 5.016 23.028 ( -4.335 -0.000 0.000) 4.335 ======================= Grid point 182 (72/72) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.000 -0.000 -0.000) 0.000 2.129 ( 0.000 -0.000 -0.000) 0.000 2.336 ( 0.000 -0.000 -0.000) 0.000 2.573 ( 0.000 0.000 -0.000) 0.000 2.691 ( 0.000 0.000 -0.000) 0.000 2.989 ( -0.000 -0.000 -0.000) 0.000 3.409 ( 0.000 -0.000 -0.000) 0.000 3.531 ( 0.000 0.000 -0.000) 0.000 3.707 ( -0.000 0.000 -0.000) 0.000 3.728 ( 0.000 0.000 -0.000) 0.000 3.946 ( -0.000 0.000 0.000) 0.000 4.561 ( -0.000 -0.000 -0.000) 0.000 4.641 ( 0.000 0.000 -0.000) 0.000 4.996 ( 0.000 -0.000 -0.000) 0.000 5.123 ( 0.000 -0.000 -0.000) 0.000 5.531 ( 0.000 0.000 -0.000) 0.000 6.009 ( 0.000 0.000 -0.000) 0.000 6.215 ( -0.000 -0.000 -0.000) 0.000 6.773 ( 0.000 0.000 -0.000) 0.000 6.801 ( -0.000 0.000 -0.000) 0.000 6.836 ( 0.000 0.000 -0.000) 0.000 6.907 ( -0.000 0.000 -0.000) 0.000 6.914 ( 0.000 0.000 -0.000) 0.000 7.374 ( -0.000 0.000 -0.000) 0.000 7.463 ( 0.000 -0.000 -0.000) 0.000 7.825 ( -0.000 0.000 -0.000) 0.000 7.864 ( -0.000 0.000 -0.000) 0.000 8.156 ( 0.000 0.000 -0.000) 0.000 8.163 ( 0.000 0.000 -0.000) 0.000 8.383 ( 0.000 -0.000 -0.000) 0.000 8.511 ( 0.000 -0.000 -0.000) 0.000 8.515 ( -0.000 0.000 -0.000) 0.000 8.595 ( 0.000 0.000 -0.000) 0.000 8.964 ( -0.000 0.000 -0.000) 0.000 9.318 ( -0.000 0.000 -0.000) 0.000 9.344 ( 0.000 0.000 -0.000) 0.000 9.399 ( 0.000 -0.000 -0.000) 0.000 9.509 ( 0.000 0.000 -0.000) 0.000 9.623 ( 0.000 0.000 -0.000) 0.000 10.014 ( 0.000 -0.000 -0.000) 0.000 10.142 ( -0.000 0.000 -0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 -0.000) 0.000 10.396 ( 0.000 0.000 -0.000) 0.000 10.555 ( -0.000 0.000 -0.000) 0.000 10.616 ( -0.000 0.000 -0.000) 0.000 11.011 ( -0.000 -0.000 -0.000) 0.000 11.522 ( 0.000 -0.000 -0.000) 0.000 11.586 ( -0.000 -0.000 0.000) 0.000 11.776 ( -0.000 0.000 -0.000) 0.000 11.794 ( -0.000 0.000 -0.000) 0.000 12.130 ( -0.000 0.000 -0.000) 0.000 12.261 ( 0.000 0.000 -0.000) 0.000 12.280 ( -0.000 0.000 -0.000) 0.000 12.397 ( -0.000 -0.000 -0.000) 0.000 12.462 ( -0.000 0.000 -0.000) 0.000 12.913 ( -0.000 0.000 -0.000) 0.000 13.019 ( 0.000 0.000 -0.000) 0.000 13.405 ( 0.000 0.000 -0.000) 0.000 13.451 ( -0.000 0.000 -0.000) 0.000 13.933 ( 0.000 -0.000 -0.000) 0.000 14.234 ( 0.000 0.000 -0.000) 0.000 14.293 ( 0.000 0.000 -0.000) 0.000 14.399 ( 0.000 0.000 -0.000) 0.000 14.940 ( -0.000 0.000 -0.000) 0.000 14.962 ( -0.000 0.000 -0.000) 0.000 14.979 ( 0.000 0.000 -0.000) 0.000 15.040 ( 0.000 0.000 -0.000) 0.000 15.238 ( -0.000 0.000 0.000) 0.000 15.242 ( -0.000 0.000 -0.000) 0.000 15.530 ( -0.000 0.000 -0.000) 0.000 15.613 ( -0.000 0.000 -0.000) 0.000 15.632 ( 0.000 -0.000 -0.000) 0.000 15.695 ( 0.000 0.000 0.000) 0.000 15.845 ( -0.000 0.000 -0.000) 0.000 15.978 ( 0.000 0.000 -0.000) 0.000 16.083 ( 0.000 0.000 -0.000) 0.000 16.143 ( 0.000 0.000 -0.000) 0.000 16.210 ( 0.000 0.000 -0.000) 0.000 16.538 ( 0.000 0.000 -0.000) 0.000 16.675 ( 0.000 0.000 -0.000) 0.000 16.784 ( 0.000 -0.000 -0.000) 0.000 17.057 ( 0.000 -0.000 -0.000) 0.000 17.097 ( 0.000 0.000 -0.000) 0.000 17.183 ( 0.000 0.000 -0.000) 0.000 17.465 ( -0.000 0.000 -0.000) 0.000 17.508 ( 0.000 0.000 -0.000) 0.000 17.893 ( -0.000 -0.000 -0.000) 0.000 18.157 ( -0.000 -0.000 -0.000) 0.000 18.250 ( 0.000 0.000 -0.000) 0.000 18.365 ( 0.000 -0.000 -0.000) 0.000 18.921 ( 0.000 -0.000 -0.000) 0.000 18.945 ( 0.000 0.000 -0.000) 0.000 19.122 ( -0.000 -0.000 -0.000) 0.000 19.992 ( 0.000 -0.000 0.000) 0.000 20.146 ( 0.000 0.000 -0.000) 0.000 20.700 ( 0.000 0.000 -0.000) 0.000 21.007 ( -0.000 0.000 -0.000) 0.000 23.072 ( 0.000 -0.000 -0.000) 0.000 =================== 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 3/33264 10.0 365.548 633.776 592.768 0.000 -0.000 -0.000 3/33264 20.0 135.447 95.371 159.170 0.000 -0.000 0.000 3/33264 30.0 58.907 39.275 60.292 0.000 -0.000 0.000 3/33264 40.0 34.269 23.299 33.686 0.000 -0.000 0.000 3/33264 50.0 23.122 16.221 22.386 0.000 -0.000 0.000 3/33264 60.0 16.967 12.229 16.296 0.000 -0.000 0.000 3/33264 70.0 13.147 9.681 12.558 0.000 -0.000 -0.000 3/33264 80.0 10.596 7.933 10.074 0.000 -0.000 -0.000 3/33264 90.0 8.801 6.676 8.330 0.000 -0.000 -0.000 3/33264 100.0 7.488 5.737 7.054 0.000 -0.000 -0.000 3/33264 110.0 6.496 5.015 6.089 0.000 -0.000 -0.000 3/33264 120.0 5.725 4.445 5.339 0.000 -0.000 -0.000 3/33264 130.0 5.113 3.986 4.742 0.000 -0.000 -0.000 3/33264 140.0 4.617 3.610 4.259 0.000 -0.000 -0.000 3/33264 150.0 4.208 3.297 3.861 0.000 -0.000 -0.000 3/33264 160.0 3.867 3.034 3.529 0.000 -0.000 -0.000 3/33264 170.0 3.577 2.809 3.248 0.000 -0.000 -0.000 3/33264 180.0 3.329 2.615 3.008 0.000 -0.000 -0.000 3/33264 190.0 3.114 2.447 2.801 0.000 -0.000 -0.000 3/33264 200.0 2.927 2.299 2.620 0.000 -0.000 -0.000 3/33264 210.0 2.761 2.169 2.462 0.000 -0.000 -0.000 3/33264 220.0 2.614 2.053 2.322 0.000 -0.000 -0.000 3/33264 230.0 2.483 1.950 2.197 0.000 -0.000 -0.000 3/33264 240.0 2.365 1.856 2.086 0.000 -0.000 -0.000 3/33264 250.0 2.258 1.772 1.985 0.000 -0.000 -0.000 3/33264 260.0 2.161 1.695 1.894 0.000 -0.000 -0.000 3/33264 270.0 2.073 1.625 1.811 0.000 -0.000 -0.000 3/33264 280.0 1.991 1.561 1.736 0.000 -0.000 -0.000 3/33264 290.0 1.917 1.501 1.667 0.000 -0.000 -0.000 3/33264 300.0 1.848 1.447 1.603 0.000 -0.000 -0.000 3/33264 310.0 1.784 1.396 1.544 0.000 -0.000 -0.000 3/33264 320.0 1.724 1.349 1.490 0.000 -0.000 -0.000 3/33264 330.0 1.668 1.305 1.439 0.000 -0.000 -0.000 3/33264 340.0 1.617 1.264 1.392 0.000 -0.000 -0.000 3/33264 350.0 1.568 1.226 1.348 0.000 -0.000 -0.000 3/33264 360.0 1.522 1.190 1.306 0.000 -0.000 -0.000 3/33264 370.0 1.479 1.156 1.268 0.000 -0.000 -0.000 3/33264 380.0 1.439 1.124 1.231 0.000 -0.000 -0.000 3/33264 390.0 1.400 1.094 1.197 0.000 -0.000 -0.000 3/33264 400.0 1.364 1.065 1.165 0.000 -0.000 -0.000 3/33264 410.0 1.330 1.038 1.134 0.000 -0.000 -0.000 3/33264 420.0 1.297 1.013 1.105 0.000 -0.000 -0.000 3/33264 430.0 1.266 0.988 1.078 0.000 -0.000 -0.000 3/33264 440.0 1.236 0.965 1.051 0.000 -0.000 -0.000 3/33264 450.0 1.208 0.943 1.027 0.000 -0.000 -0.000 3/33264 460.0 1.181 0.922 1.003 0.000 -0.000 -0.000 3/33264 470.0 1.156 0.902 0.980 0.000 -0.000 -0.000 3/33264 480.0 1.131 0.883 0.959 0.000 -0.000 -0.000 3/33264 490.0 1.108 0.864 0.938 0.000 -0.000 -0.000 3/33264 500.0 1.085 0.846 0.919 0.000 -0.000 -0.000 3/33264 510.0 1.064 0.830 0.900 0.000 -0.000 -0.000 3/33264 520.0 1.043 0.813 0.882 0.000 -0.000 -0.000 3/33264 530.0 1.023 0.798 0.864 0.000 -0.000 -0.000 3/33264 540.0 1.004 0.783 0.848 0.000 -0.000 -0.000 3/33264 550.0 0.985 0.768 0.832 0.000 -0.000 -0.000 3/33264 560.0 0.967 0.754 0.816 0.000 -0.000 -0.000 3/33264 570.0 0.950 0.741 0.801 0.000 -0.000 -0.000 3/33264 580.0 0.934 0.728 0.787 0.000 -0.000 -0.000 3/33264 590.0 0.918 0.715 0.773 0.000 -0.000 -0.000 3/33264 600.0 0.902 0.703 0.760 0.000 -0.000 -0.000 3/33264 610.0 0.887 0.692 0.747 0.000 -0.000 -0.000 3/33264 620.0 0.873 0.680 0.735 0.000 -0.000 -0.000 3/33264 630.0 0.859 0.669 0.723 0.000 -0.000 -0.000 3/33264 640.0 0.845 0.659 0.711 0.000 -0.000 -0.000 3/33264 650.0 0.832 0.649 0.700 0.000 -0.000 -0.000 3/33264 660.0 0.820 0.639 0.689 0.000 -0.000 -0.000 3/33264 670.0 0.807 0.629 0.678 0.000 -0.000 -0.000 3/33264 680.0 0.795 0.620 0.668 0.000 -0.000 -0.000 3/33264 690.0 0.784 0.611 0.658 0.000 -0.000 -0.000 3/33264 700.0 0.773 0.602 0.649 0.000 -0.000 -0.000 3/33264 710.0 0.762 0.593 0.639 0.000 -0.000 -0.000 3/33264 720.0 0.751 0.585 0.630 0.000 -0.000 -0.000 3/33264 730.0 0.741 0.577 0.621 0.000 -0.000 -0.000 3/33264 740.0 0.731 0.569 0.613 0.000 -0.000 -0.000 3/33264 750.0 0.721 0.562 0.605 0.000 -0.000 -0.000 3/33264 760.0 0.711 0.554 0.596 0.000 -0.000 -0.000 3/33264 770.0 0.702 0.547 0.589 0.000 -0.000 -0.000 3/33264 780.0 0.693 0.540 0.581 0.000 -0.000 -0.000 3/33264 790.0 0.684 0.533 0.573 0.000 -0.000 -0.000 3/33264 800.0 0.676 0.526 0.566 0.000 -0.000 -0.000 3/33264 810.0 0.667 0.520 0.559 0.000 -0.000 -0.000 3/33264 820.0 0.659 0.513 0.552 0.000 -0.000 -0.000 3/33264 830.0 0.651 0.507 0.545 0.000 -0.000 -0.000 3/33264 840.0 0.644 0.501 0.539 0.000 -0.000 -0.000 3/33264 850.0 0.636 0.495 0.532 0.000 -0.000 -0.000 3/33264 860.0 0.629 0.489 0.526 0.000 -0.000 -0.000 3/33264 870.0 0.621 0.484 0.520 0.000 -0.000 -0.000 3/33264 880.0 0.614 0.478 0.514 0.000 -0.000 -0.000 3/33264 890.0 0.607 0.473 0.508 0.000 -0.000 -0.000 3/33264 900.0 0.601 0.468 0.502 0.000 -0.000 -0.000 3/33264 910.0 0.594 0.462 0.497 0.000 -0.000 -0.000 3/33264 920.0 0.588 0.457 0.491 0.000 -0.000 -0.000 3/33264 930.0 0.581 0.452 0.486 0.000 -0.000 -0.000 3/33264 940.0 0.575 0.448 0.481 0.000 -0.000 -0.000 3/33264 950.0 0.569 0.443 0.476 0.000 -0.000 -0.000 3/33264 960.0 0.563 0.438 0.471 0.000 -0.000 -0.000 3/33264 970.0 0.557 0.434 0.466 0.000 -0.000 -0.000 3/33264 980.0 0.552 0.429 0.461 0.000 -0.000 -0.000 3/33264 990.0 0.546 0.425 0.456 0.000 -0.000 -0.000 3/33264 1000.0 0.541 0.421 0.452 0.000 -0.000 -0.000 3/33264 Thermal conductivity related properties were written into "kappa-m12168.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:16:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|