----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:04:18]------------------------- Compiled with OpenMP support (max 32 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: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.708474590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.591249020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.864424220000000 Atomic positions (fractional): *1 F 0.63668552292900 0.25000000000000 0.19200255291506 18.998 2 F 0.36331447707100 0.75000000000000 0.80799744708494 18.998 3 F 0.13668552292900 0.25000000000000 0.30799744708493 18.998 4 F 0.86331447707100 0.75000000000000 0.69200255291506 18.998 *5 F 0.64625978401385 0.25000000000000 0.52511029937502 18.998 6 F 0.35374021598615 0.75000000000000 0.47488970062498 18.998 7 F 0.14625978401385 0.25000000000000 0.97488970062498 18.998 8 F 0.85374021598615 0.75000000000000 0.02511029937502 18.998 *9 F 0.15697052714264 0.51007980285243 0.74536873823684 18.998 10 F 0.84302947285736 0.01007980285243 0.25463126176316 18.998 11 F 0.65697052714264 0.98992019714757 0.75463126176316 18.998 12 F 0.34302947285736 0.48992019714757 0.24536873823684 18.998 *13 F 0.90820816539583 0.48779191805257 0.86252445629579 18.998 14 F 0.09179183460417 0.98779191805257 0.13747554370421 18.998 15 F 0.40820816539583 0.01220808194743 0.63747554370421 18.998 16 F 0.59179183460417 0.51220808194743 0.36252445629579 18.998 17 F 0.09179183460417 0.51220808194743 0.13747554370421 18.998 18 F 0.90820816539583 0.01220808194743 0.86252445629579 18.998 19 F 0.59179183460417 0.98779191805257 0.36252445629579 18.998 20 F 0.40820816539583 0.48779191805257 0.63747554370421 18.998 *21 F 0.85627457658725 0.01523110940272 0.46325788763985 18.998 22 F 0.14372542341275 0.51523110940272 0.53674211236015 18.998 23 F 0.35627457658725 0.48476889059728 0.03674211236015 18.998 24 F 0.64372542341275 0.98476889059728 0.96325788763985 18.998 25 F 0.14372542341275 0.98476889059728 0.53674211236015 18.998 26 F 0.85627457658725 0.48476889059728 0.46325788763985 18.998 27 F 0.64372542341275 0.51523110940272 0.96325788763985 18.998 28 F 0.35627457658725 0.01523110940272 0.03674211236015 18.998 29 F 0.65697052714264 0.51007980285243 0.75463126176316 18.998 30 F 0.34302947285736 0.01007980285243 0.24536873823684 18.998 31 F 0.15697052714264 0.98992019714757 0.74536873823684 18.998 32 F 0.84302947285736 0.48992019714757 0.25463126176316 18.998 *33 Zr 0.74188846890957 0.25000000000000 0.35888721597342 91.224 34 Zr 0.25811153109043 0.75000000000000 0.64111278402658 91.224 35 Zr 0.24188846890957 0.25000000000000 0.14111278402658 91.224 36 Zr 0.75811153109043 0.75000000000000 0.85888721597342 91.224 *37 Ba 0.94718438713629 0.25000000000000 0.65987117993248 137.327 38 Ba 0.05281561286371 0.75000000000000 0.34012882006752 137.327 39 Ba 0.44718438713629 0.25000000000000 0.84012882006752 137.327 40 Ba 0.55281561286371 0.75000000000000 0.15987117993248 137.327 *41 Ba 0.36166389037953 0.25000000000000 0.44119975125722 137.327 42 Ba 0.63833610962047 0.75000000000000 0.55880024874278 137.327 43 Ba 0.86166389037953 0.25000000000000 0.05880024874278 137.327 44 Ba 0.13833610962047 0.75000000000000 0.94119975125722 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.708474590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.591249020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.864424220000000 Atomic positions (fractional): *1 F 0.63668552292900 0.25000000000000 0.19200255291506 18.998 > 1 2 F 0.36331447707100 0.75000000000000 0.80799744708494 18.998 > 2 3 F 0.13668552292900 0.25000000000000 0.30799744708493 18.998 > 3 4 F 0.86331447707100 0.75000000000000 0.69200255291506 18.998 > 4 *5 F 0.64625978401385 0.25000000000000 0.52511029937502 18.998 > 5 6 F 0.35374021598615 0.75000000000000 0.47488970062498 18.998 > 6 7 F 0.14625978401385 0.25000000000000 0.97488970062498 18.998 > 7 8 F 0.85374021598615 0.75000000000000 0.02511029937502 18.998 > 8 *9 F 0.15697052714264 0.51007980285243 0.74536873823684 18.998 > 9 10 F 0.84302947285736 0.01007980285243 0.25463126176316 18.998 > 10 11 F 0.65697052714264 0.98992019714757 0.75463126176316 18.998 > 11 12 F 0.34302947285736 0.48992019714757 0.24536873823684 18.998 > 12 *13 F 0.90820816539583 0.48779191805257 0.86252445629579 18.998 > 13 14 F 0.09179183460417 0.98779191805257 0.13747554370421 18.998 > 14 15 F 0.40820816539583 0.01220808194743 0.63747554370421 18.998 > 15 16 F 0.59179183460417 0.51220808194743 0.36252445629579 18.998 > 16 17 F 0.09179183460417 0.51220808194743 0.13747554370421 18.998 > 17 18 F 0.90820816539583 0.01220808194743 0.86252445629579 18.998 > 18 19 F 0.59179183460417 0.98779191805257 0.36252445629579 18.998 > 19 20 F 0.40820816539583 0.48779191805257 0.63747554370421 18.998 > 20 *21 F 0.85627457658725 0.01523110940272 0.46325788763985 18.998 > 21 22 F 0.14372542341275 0.51523110940272 0.53674211236015 18.998 > 22 23 F 0.35627457658725 0.48476889059728 0.03674211236015 18.998 > 23 24 F 0.64372542341275 0.98476889059728 0.96325788763985 18.998 > 24 25 F 0.14372542341275 0.98476889059728 0.53674211236015 18.998 > 25 26 F 0.85627457658725 0.48476889059728 0.46325788763985 18.998 > 26 27 F 0.64372542341275 0.51523110940272 0.96325788763985 18.998 > 27 28 F 0.35627457658725 0.01523110940272 0.03674211236015 18.998 > 28 29 F 0.65697052714264 0.51007980285243 0.75463126176316 18.998 > 29 30 F 0.34302947285736 0.01007980285243 0.24536873823684 18.998 > 30 31 F 0.15697052714264 0.98992019714757 0.74536873823684 18.998 > 31 32 F 0.84302947285736 0.48992019714757 0.25463126176316 18.998 > 32 *33 Zr 0.74188846890957 0.25000000000000 0.35888721597342 91.224 > 33 34 Zr 0.25811153109043 0.75000000000000 0.64111278402658 91.224 > 34 35 Zr 0.24188846890957 0.25000000000000 0.14111278402658 91.224 > 35 36 Zr 0.75811153109043 0.75000000000000 0.85888721597342 91.224 > 36 *37 Ba 0.94718438713629 0.25000000000000 0.65987117993248 137.327 > 37 38 Ba 0.05281561286371 0.75000000000000 0.34012882006752 137.327 > 38 39 Ba 0.44718438713629 0.25000000000000 0.84012882006752 137.327 > 39 40 Ba 0.55281561286371 0.75000000000000 0.15987117993248 137.327 > 40 *41 Ba 0.36166389037953 0.25000000000000 0.44119975125722 137.327 > 41 42 Ba 0.63833610962047 0.75000000000000 0.55880024874278 137.327 > 42 43 Ba 0.86166389037953 0.25000000000000 0.05880024874278 137.327 > 43 44 Ba 0.13833610962047 0.75000000000000 0.94119975125722 137.327 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.708474590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.182498040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.864424220000000 Atomic positions (fractional): *1 F 0.63668552292900 0.12500000000000 0.19200255291506 18.998 > 1 2 F 0.63668552292900 0.62500000000000 0.19200255291506 18.998 > 1 3 F 0.36331447707100 0.37500000000000 0.80799744708494 18.998 > 2 4 F 0.36331447707100 0.87500000000000 0.80799744708494 18.998 > 2 5 F 0.13668552292900 0.12500000000000 0.30799744708493 18.998 > 3 6 F 0.13668552292900 0.62500000000000 0.30799744708493 18.998 > 3 7 F 0.86331447707100 0.37500000000000 0.69200255291506 18.998 > 4 8 F 0.86331447707100 0.87500000000000 0.69200255291506 18.998 > 4 *9 F 0.64625978401385 0.12500000000000 0.52511029937502 18.998 > 5 10 F 0.64625978401385 0.62500000000000 0.52511029937502 18.998 > 5 11 F 0.35374021598615 0.37500000000000 0.47488970062498 18.998 > 6 12 F 0.35374021598615 0.87500000000000 0.47488970062498 18.998 > 6 13 F 0.14625978401385 0.12500000000000 0.97488970062498 18.998 > 7 14 F 0.14625978401385 0.62500000000000 0.97488970062498 18.998 > 7 15 F 0.85374021598615 0.37500000000000 0.02511029937502 18.998 > 8 16 F 0.85374021598615 0.87500000000000 0.02511029937502 18.998 > 8 *17 F 0.15697052714264 0.25503990142621 0.74536873823684 18.998 > 9 18 F 0.15697052714264 0.75503990142621 0.74536873823684 18.998 > 9 19 F 0.84302947285736 0.00503990142621 0.25463126176316 18.998 > 10 20 F 0.84302947285736 0.50503990142621 0.25463126176316 18.998 > 10 21 F 0.65697052714264 0.49496009857379 0.75463126176316 18.998 > 11 22 F 0.65697052714264 0.99496009857379 0.75463126176316 18.998 > 11 23 F 0.34302947285736 0.24496009857379 0.24536873823684 18.998 > 12 24 F 0.34302947285736 0.74496009857379 0.24536873823684 18.998 > 12 *25 F 0.90820816539583 0.24389595902628 0.86252445629579 18.998 > 13 26 F 0.90820816539583 0.74389595902629 0.86252445629579 18.998 > 13 27 F 0.09179183460417 0.49389595902629 0.13747554370421 18.998 > 14 28 F 0.09179183460417 0.99389595902629 0.13747554370421 18.998 > 14 29 F 0.40820816539583 0.00610404097371 0.63747554370421 18.998 > 15 30 F 0.40820816539583 0.50610404097371 0.63747554370421 18.998 > 15 31 F 0.59179183460417 0.25610404097371 0.36252445629579 18.998 > 16 32 F 0.59179183460417 0.75610404097371 0.36252445629579 18.998 > 16 33 F 0.09179183460417 0.25610404097371 0.13747554370421 18.998 > 17 34 F 0.09179183460417 0.75610404097371 0.13747554370421 18.998 > 17 35 F 0.90820816539583 0.00610404097371 0.86252445629579 18.998 > 18 36 F 0.90820816539583 0.50610404097371 0.86252445629579 18.998 > 18 37 F 0.59179183460417 0.49389595902629 0.36252445629579 18.998 > 19 38 F 0.59179183460417 0.99389595902629 0.36252445629579 18.998 > 19 39 F 0.40820816539583 0.24389595902628 0.63747554370421 18.998 > 20 40 F 0.40820816539583 0.74389595902629 0.63747554370421 18.998 > 20 *41 F 0.85627457658725 0.00761555470136 0.46325788763985 18.998 > 21 42 F 0.85627457658725 0.50761555470136 0.46325788763985 18.998 > 21 43 F 0.14372542341275 0.25761555470136 0.53674211236015 18.998 > 22 44 F 0.14372542341275 0.75761555470136 0.53674211236015 18.998 > 22 45 F 0.35627457658725 0.24238444529864 0.03674211236015 18.998 > 23 46 F 0.35627457658725 0.74238444529864 0.03674211236015 18.998 > 23 47 F 0.64372542341275 0.49238444529864 0.96325788763985 18.998 > 24 48 F 0.64372542341275 0.99238444529864 0.96325788763985 18.998 > 24 49 F 0.14372542341275 0.49238444529864 0.53674211236015 18.998 > 25 50 F 0.14372542341275 0.99238444529864 0.53674211236015 18.998 > 25 51 F 0.85627457658725 0.24238444529864 0.46325788763985 18.998 > 26 52 F 0.85627457658725 0.74238444529864 0.46325788763985 18.998 > 26 53 F 0.64372542341275 0.25761555470136 0.96325788763985 18.998 > 27 54 F 0.64372542341275 0.75761555470136 0.96325788763985 18.998 > 27 55 F 0.35627457658725 0.00761555470136 0.03674211236015 18.998 > 28 56 F 0.35627457658725 0.50761555470136 0.03674211236015 18.998 > 28 57 F 0.65697052714264 0.25503990142621 0.75463126176316 18.998 > 29 58 F 0.65697052714264 0.75503990142621 0.75463126176316 18.998 > 29 59 F 0.34302947285736 0.00503990142621 0.24536873823684 18.998 > 30 60 F 0.34302947285736 0.50503990142621 0.24536873823684 18.998 > 30 61 F 0.15697052714264 0.49496009857379 0.74536873823684 18.998 > 31 62 F 0.15697052714264 0.99496009857379 0.74536873823684 18.998 > 31 63 F 0.84302947285736 0.24496009857379 0.25463126176316 18.998 > 32 64 F 0.84302947285736 0.74496009857379 0.25463126176316 18.998 > 32 *65 Zr 0.74188846890957 0.12500000000000 0.35888721597342 91.224 > 33 66 Zr 0.74188846890957 0.62500000000000 0.35888721597342 91.224 > 33 67 Zr 0.25811153109043 0.37500000000000 0.64111278402658 91.224 > 34 68 Zr 0.25811153109043 0.87500000000000 0.64111278402658 91.224 > 34 69 Zr 0.24188846890957 0.12500000000000 0.14111278402658 91.224 > 35 70 Zr 0.24188846890957 0.62500000000000 0.14111278402658 91.224 > 35 71 Zr 0.75811153109043 0.37500000000000 0.85888721597342 91.224 > 36 72 Zr 0.75811153109043 0.87500000000000 0.85888721597342 91.224 > 36 *73 Ba 0.94718438713629 0.12500000000000 0.65987117993248 137.327 > 37 74 Ba 0.94718438713629 0.62500000000000 0.65987117993248 137.327 > 37 75 Ba 0.05281561286371 0.37500000000000 0.34012882006752 137.327 > 38 76 Ba 0.05281561286371 0.87500000000000 0.34012882006752 137.327 > 38 77 Ba 0.44718438713629 0.12500000000000 0.84012882006752 137.327 > 39 78 Ba 0.44718438713629 0.62500000000000 0.84012882006752 137.327 > 39 79 Ba 0.55281561286371 0.37500000000000 0.15987117993248 137.327 > 40 80 Ba 0.55281561286371 0.87500000000000 0.15987117993248 137.327 > 40 *81 Ba 0.36166389037953 0.12500000000000 0.44119975125722 137.327 > 41 82 Ba 0.36166389037953 0.62500000000000 0.44119975125722 137.327 > 41 83 Ba 0.63833610962047 0.37500000000000 0.55880024874278 137.327 > 42 84 Ba 0.63833610962047 0.87500000000000 0.55880024874278 137.327 > 42 85 Ba 0.86166389037953 0.12500000000000 0.05880024874278 137.327 > 43 86 Ba 0.86166389037953 0.62500000000000 0.05880024874278 137.327 > 43 87 Ba 0.13833610962047 0.37500000000000 0.94119975125722 137.327 > 44 88 Ba 0.13833610962047 0.87500000000000 0.94119975125722 137.327 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6072742 0.0000000 0.0000000 0.0000000 2.6571113 0.0000000 0.0000000 0.0000000 2.7025055 -------------------------- Born effective charges -------------------------- 1 F -1.1148548 0.0000000 -0.1158814 0.0000000 -1.0738876 0.0000000 -0.1446452 0.0000000 -1.4929566 2 F -1.1148548 0.0000000 -0.1158814 0.0000000 -1.0738876 0.0000000 -0.1446452 0.0000000 -1.4929566 3 F -1.1148548 0.0000000 0.1158814 0.0000000 -1.0738876 0.0000000 0.1446452 0.0000000 -1.4929566 4 F -1.1148548 0.0000000 0.1158814 0.0000000 -1.0738876 0.0000000 0.1446452 0.0000000 -1.4929566 5 F -1.1107669 0.0000000 0.2110661 0.0000000 -1.2086416 0.0000000 0.1968036 0.0000000 -1.3614334 6 F -1.1107669 0.0000000 0.2110661 0.0000000 -1.2086416 0.0000000 0.1968036 0.0000000 -1.3614334 7 F -1.1107669 0.0000000 -0.2110661 0.0000000 -1.2086416 0.0000000 -0.1968036 0.0000000 -1.3614334 8 F -1.1107669 0.0000000 -0.2110661 0.0000000 -1.2086416 0.0000000 -0.1968036 0.0000000 -1.3614334 9 F -1.1522532 -0.4121001 0.2361043 -0.3899318 -1.2097538 0.1577714 0.2180631 0.1785361 -1.3157371 10 F -1.1522532 0.4121001 0.2361043 0.3899318 -1.2097538 -0.1577714 0.2180631 -0.1785361 -1.3157371 11 F -1.1522532 0.4121001 -0.2361043 0.3899318 -1.2097538 0.1577714 -0.2180631 0.1785361 -1.3157371 12 F -1.1522532 -0.4121001 -0.2361043 -0.3899318 -1.2097538 -0.1577714 -0.2180631 -0.1785361 -1.3157371 13 F -1.2787350 0.3676623 -0.0221705 0.3730483 -1.3605873 0.0063844 -0.0364704 0.0306661 -1.0842859 14 F -1.2787350 -0.3676623 -0.0221705 -0.3730483 -1.3605873 -0.0063844 -0.0364704 -0.0306661 -1.0842859 15 F -1.2787350 -0.3676623 0.0221705 -0.3730483 -1.3605873 0.0063844 0.0364704 0.0306661 -1.0842859 16 F -1.2787350 0.3676623 0.0221705 0.3730483 -1.3605873 -0.0063844 0.0364704 -0.0306661 -1.0842859 17 F -1.2787350 0.3676623 -0.0221705 0.3730483 -1.3605873 0.0063844 -0.0364704 0.0306661 -1.0842859 18 F -1.2787350 -0.3676623 -0.0221705 -0.3730483 -1.3605873 -0.0063844 -0.0364704 -0.0306661 -1.0842859 19 F -1.2787350 -0.3676623 0.0221705 -0.3730483 -1.3605873 0.0063844 0.0364704 0.0306661 -1.0842859 20 F -1.2787350 0.3676623 0.0221705 0.3730483 -1.3605873 -0.0063844 0.0364704 -0.0306661 -1.0842859 21 F -1.1998373 0.2399442 -0.1878042 0.2733676 -1.2216916 0.2417028 -0.1848368 0.2333436 -1.2712079 22 F -1.1998373 -0.2399442 -0.1878042 -0.2733676 -1.2216916 -0.2417028 -0.1848368 -0.2333436 -1.2712079 23 F -1.1998373 -0.2399442 0.1878042 -0.2733676 -1.2216916 0.2417028 0.1848368 0.2333436 -1.2712079 24 F -1.1998373 0.2399442 0.1878042 0.2733676 -1.2216916 -0.2417028 0.1848368 -0.2333436 -1.2712079 25 F -1.1998373 0.2399442 -0.1878042 0.2733676 -1.2216916 0.2417028 -0.1848368 0.2333436 -1.2712079 26 F -1.1998373 -0.2399442 -0.1878042 -0.2733676 -1.2216916 -0.2417028 -0.1848368 -0.2333436 -1.2712079 27 F -1.1998373 -0.2399442 0.1878042 -0.2733676 -1.2216916 0.2417028 0.1848368 0.2333436 -1.2712079 28 F -1.1998373 0.2399442 0.1878042 0.2733676 -1.2216916 -0.2417028 0.1848368 -0.2333436 -1.2712079 29 F -1.1522532 -0.4121001 -0.2361043 -0.3899318 -1.2097538 -0.1577714 -0.2180631 -0.1785361 -1.3157371 30 F -1.1522532 0.4121001 -0.2361043 0.3899318 -1.2097538 0.1577714 -0.2180631 0.1785361 -1.3157371 31 F -1.1522532 0.4121001 0.2361043 0.3899318 -1.2097538 -0.1577714 0.2180631 -0.1785361 -1.3157371 32 F -1.1522532 -0.4121001 0.2361043 -0.3899318 -1.2097538 0.1577714 0.2180631 0.1785361 -1.3157371 33 Zr 4.2379137 0.0000000 -0.2169011 0.0000000 4.3855473 0.0000000 -0.1248001 0.0000000 4.5374425 34 Zr 4.2379137 0.0000000 -0.2169011 0.0000000 4.3855473 0.0000000 -0.1248001 0.0000000 4.5374425 35 Zr 4.2379137 0.0000000 0.2169011 0.0000000 4.3855473 0.0000000 0.1248001 0.0000000 4.5374425 36 Zr 4.2379137 0.0000000 0.2169011 0.0000000 4.3855473 0.0000000 0.1248001 0.0000000 4.5374425 37 Ba 2.6931591 0.0000000 0.0301233 0.0000000 2.8403609 0.0000000 0.0274524 0.0000000 2.7470100 38 Ba 2.6931591 0.0000000 0.0301233 0.0000000 2.8403609 0.0000000 0.0274524 0.0000000 2.7470100 39 Ba 2.6931591 0.0000000 -0.0301233 0.0000000 2.8403609 0.0000000 -0.0274524 0.0000000 2.7470100 40 Ba 2.6931591 0.0000000 -0.0301233 0.0000000 2.8403609 0.0000000 -0.0274524 0.0000000 2.7470100 41 Ba 2.5561998 0.0000000 0.0324238 0.0000000 2.6406864 0.0000000 0.0461969 0.0000000 2.9123991 42 Ba 2.5561998 0.0000000 0.0324238 0.0000000 2.6406864 0.0000000 0.0461969 0.0000000 2.9123991 43 Ba 2.5561998 0.0000000 -0.0324238 0.0000000 2.6406864 0.0000000 -0.0461969 0.0000000 2.9123991 44 Ba 2.5561998 0.0000000 -0.0324238 0.0000000 2.6406864 0.0000000 -0.0461969 0.0000000 2.9123991 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2302 Number of blocks in projector: 2302 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: 534 Use submatrix version of eigh solver. (1) Block: 534 / 534 (2) Block: 250 / 534 (2) 234 eigenvectors found. (2) Block: 534 / 534 (2) 268 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 300 Use standard eigh solver. Tree of FC basis block matrices: - (2302, 2250), data: False |-- (300, 292), data: True |-- (300, 292), data: True |-- (300, 292), data: True |-- (434, 428), data: True |-- (434, 428), data: True |-- (534, 518), data: False |-- (534, 518), data: False |-- (534, 16), data: (534, 32) @ (32, 16) |-- (284, 268), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 720 - Time: 0.453 Solver_block: 200 / 720 - Time: 0.410 Solver_block: 300 / 720 - Time: 0.411 Solver_block: 400 / 720 - Time: 0.413 Solver_block: 500 / 720 - Time: 0.411 Solver_block: 600 / 720 - Time: 0.411 Solver_block: 700 / 720 - Time: 0.412 Solver_block: 720 / 720 - Time: 0.122 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.105 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2302 Number of blocks in projector: 2302 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: 534 Use submatrix version of eigh solver. (1) Block: 534 / 534 (2) Block: 250 / 534 (2) 234 eigenvectors found. (2) Block: 534 / 534 (2) 268 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 300 Use standard eigh solver. Tree of FC basis block matrices: - (2302, 2250), data: False |-- (300, 292), data: True |-- (300, 292), data: True |-- (300, 292), data: True |-- (434, 428), data: True |-- (434, 428), data: True |-- (534, 518), data: False |-- (534, 518), data: False |-- (534, 16), data: (534, 32) @ (32, 16) |-- (284, 268), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:04:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:04:49]------------------------- Compiled with OpenMP support (max 32 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): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.708474590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.591249020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.864424220000000 Atomic positions (fractional): 1 F 0.63668552292900 0.25000000000000 0.19200255291506 18.998 2 F 0.36331447707100 0.75000000000000 0.80799744708494 18.998 3 F 0.13668552292900 0.25000000000000 0.30799744708493 18.998 4 F 0.86331447707100 0.75000000000000 0.69200255291506 18.998 5 F 0.64625978401385 0.25000000000000 0.52511029937502 18.998 6 F 0.35374021598615 0.75000000000000 0.47488970062498 18.998 7 F 0.14625978401385 0.25000000000000 0.97488970062498 18.998 8 F 0.85374021598615 0.75000000000000 0.02511029937502 18.998 9 F 0.15697052714264 0.51007980285243 0.74536873823684 18.998 10 F 0.84302947285736 0.01007980285243 0.25463126176316 18.998 11 F 0.65697052714264 0.98992019714757 0.75463126176316 18.998 12 F 0.34302947285736 0.48992019714757 0.24536873823684 18.998 13 F 0.90820816539583 0.48779191805257 0.86252445629579 18.998 14 F 0.09179183460417 0.98779191805257 0.13747554370421 18.998 15 F 0.40820816539583 0.01220808194743 0.63747554370421 18.998 16 F 0.59179183460417 0.51220808194743 0.36252445629579 18.998 17 F 0.09179183460417 0.51220808194743 0.13747554370421 18.998 18 F 0.90820816539583 0.01220808194743 0.86252445629579 18.998 19 F 0.59179183460417 0.98779191805257 0.36252445629579 18.998 20 F 0.40820816539583 0.48779191805257 0.63747554370421 18.998 21 F 0.85627457658725 0.01523110940272 0.46325788763985 18.998 22 F 0.14372542341275 0.51523110940272 0.53674211236015 18.998 23 F 0.35627457658725 0.48476889059728 0.03674211236015 18.998 24 F 0.64372542341275 0.98476889059728 0.96325788763985 18.998 25 F 0.14372542341275 0.98476889059728 0.53674211236015 18.998 26 F 0.85627457658725 0.48476889059728 0.46325788763985 18.998 27 F 0.64372542341275 0.51523110940272 0.96325788763985 18.998 28 F 0.35627457658725 0.01523110940272 0.03674211236015 18.998 29 F 0.65697052714264 0.51007980285243 0.75463126176316 18.998 30 F 0.34302947285736 0.01007980285243 0.24536873823684 18.998 31 F 0.15697052714264 0.98992019714757 0.74536873823684 18.998 32 F 0.84302947285736 0.48992019714757 0.25463126176316 18.998 33 Zr 0.74188846890957 0.25000000000000 0.35888721597342 91.224 34 Zr 0.25811153109043 0.75000000000000 0.64111278402658 91.224 35 Zr 0.24188846890957 0.25000000000000 0.14111278402658 91.224 36 Zr 0.75811153109043 0.75000000000000 0.85888721597342 91.224 37 Ba 0.94718438713629 0.25000000000000 0.65987117993248 137.327 38 Ba 0.05281561286371 0.75000000000000 0.34012882006752 137.327 39 Ba 0.44718438713629 0.25000000000000 0.84012882006752 137.327 40 Ba 0.55281561286371 0.75000000000000 0.15987117993248 137.327 41 Ba 0.36166389037953 0.25000000000000 0.44119975125722 137.327 42 Ba 0.63833610962047 0.75000000000000 0.55880024874278 137.327 43 Ba 0.86166389037953 0.25000000000000 0.05880024874278 137.327 44 Ba 0.13833610962047 0.75000000000000 0.94119975125722 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.708474590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.182498040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.864424220000000 Atomic positions (fractional): 1 F 0.63668552292900 0.12500000000000 0.19200255291506 18.998 > 1 2 F 0.63668552292900 0.62500000000000 0.19200255291506 18.998 > 1 3 F 0.36331447707100 0.37500000000000 0.80799744708494 18.998 > 3 4 F 0.36331447707100 0.87500000000000 0.80799744708494 18.998 > 3 5 F 0.13668552292900 0.12500000000000 0.30799744708493 18.998 > 5 6 F 0.13668552292900 0.62500000000000 0.30799744708493 18.998 > 5 7 F 0.86331447707100 0.37500000000000 0.69200255291506 18.998 > 7 8 F 0.86331447707100 0.87500000000000 0.69200255291506 18.998 > 7 9 F 0.64625978401385 0.12500000000000 0.52511029937502 18.998 > 9 10 F 0.64625978401385 0.62500000000000 0.52511029937502 18.998 > 9 11 F 0.35374021598615 0.37500000000000 0.47488970062498 18.998 > 11 12 F 0.35374021598615 0.87500000000000 0.47488970062498 18.998 > 11 13 F 0.14625978401385 0.12500000000000 0.97488970062498 18.998 > 13 14 F 0.14625978401385 0.62500000000000 0.97488970062498 18.998 > 13 15 F 0.85374021598615 0.37500000000000 0.02511029937502 18.998 > 15 16 F 0.85374021598615 0.87500000000000 0.02511029937502 18.998 > 15 17 F 0.15697052714264 0.25503990142621 0.74536873823684 18.998 > 17 18 F 0.15697052714264 0.75503990142621 0.74536873823684 18.998 > 17 19 F 0.84302947285736 0.00503990142621 0.25463126176316 18.998 > 19 20 F 0.84302947285736 0.50503990142621 0.25463126176316 18.998 > 19 21 F 0.65697052714264 0.49496009857379 0.75463126176316 18.998 > 21 22 F 0.65697052714264 0.99496009857379 0.75463126176316 18.998 > 21 23 F 0.34302947285736 0.24496009857379 0.24536873823684 18.998 > 23 24 F 0.34302947285736 0.74496009857379 0.24536873823684 18.998 > 23 25 F 0.90820816539583 0.24389595902628 0.86252445629579 18.998 > 25 26 F 0.90820816539583 0.74389595902629 0.86252445629579 18.998 > 25 27 F 0.09179183460417 0.49389595902629 0.13747554370421 18.998 > 27 28 F 0.09179183460417 0.99389595902629 0.13747554370421 18.998 > 27 29 F 0.40820816539583 0.00610404097371 0.63747554370421 18.998 > 29 30 F 0.40820816539583 0.50610404097371 0.63747554370421 18.998 > 29 31 F 0.59179183460417 0.25610404097371 0.36252445629579 18.998 > 31 32 F 0.59179183460417 0.75610404097371 0.36252445629579 18.998 > 31 33 F 0.09179183460417 0.25610404097371 0.13747554370421 18.998 > 33 34 F 0.09179183460417 0.75610404097371 0.13747554370421 18.998 > 33 35 F 0.90820816539583 0.00610404097371 0.86252445629579 18.998 > 35 36 F 0.90820816539583 0.50610404097371 0.86252445629579 18.998 > 35 37 F 0.59179183460417 0.49389595902629 0.36252445629579 18.998 > 37 38 F 0.59179183460417 0.99389595902629 0.36252445629579 18.998 > 37 39 F 0.40820816539583 0.24389595902628 0.63747554370421 18.998 > 39 40 F 0.40820816539583 0.74389595902629 0.63747554370421 18.998 > 39 41 F 0.85627457658725 0.00761555470136 0.46325788763985 18.998 > 41 42 F 0.85627457658725 0.50761555470136 0.46325788763985 18.998 > 41 43 F 0.14372542341275 0.25761555470136 0.53674211236015 18.998 > 43 44 F 0.14372542341275 0.75761555470136 0.53674211236015 18.998 > 43 45 F 0.35627457658725 0.24238444529864 0.03674211236015 18.998 > 45 46 F 0.35627457658725 0.74238444529864 0.03674211236015 18.998 > 45 47 F 0.64372542341275 0.49238444529864 0.96325788763985 18.998 > 47 48 F 0.64372542341275 0.99238444529864 0.96325788763985 18.998 > 47 49 F 0.14372542341275 0.49238444529864 0.53674211236015 18.998 > 49 50 F 0.14372542341275 0.99238444529864 0.53674211236015 18.998 > 49 51 F 0.85627457658725 0.24238444529864 0.46325788763985 18.998 > 51 52 F 0.85627457658725 0.74238444529864 0.46325788763985 18.998 > 51 53 F 0.64372542341275 0.25761555470136 0.96325788763985 18.998 > 53 54 F 0.64372542341275 0.75761555470136 0.96325788763985 18.998 > 53 55 F 0.35627457658725 0.00761555470136 0.03674211236015 18.998 > 55 56 F 0.35627457658725 0.50761555470136 0.03674211236015 18.998 > 55 57 F 0.65697052714264 0.25503990142621 0.75463126176316 18.998 > 57 58 F 0.65697052714264 0.75503990142621 0.75463126176316 18.998 > 57 59 F 0.34302947285736 0.00503990142621 0.24536873823684 18.998 > 59 60 F 0.34302947285736 0.50503990142621 0.24536873823684 18.998 > 59 61 F 0.15697052714264 0.49496009857379 0.74536873823684 18.998 > 61 62 F 0.15697052714264 0.99496009857379 0.74536873823684 18.998 > 61 63 F 0.84302947285736 0.24496009857379 0.25463126176316 18.998 > 63 64 F 0.84302947285736 0.74496009857379 0.25463126176316 18.998 > 63 65 Zr 0.74188846890957 0.12500000000000 0.35888721597342 91.224 > 65 66 Zr 0.74188846890957 0.62500000000000 0.35888721597342 91.224 > 65 67 Zr 0.25811153109043 0.37500000000000 0.64111278402658 91.224 > 67 68 Zr 0.25811153109043 0.87500000000000 0.64111278402658 91.224 > 67 69 Zr 0.24188846890957 0.12500000000000 0.14111278402658 91.224 > 69 70 Zr 0.24188846890957 0.62500000000000 0.14111278402658 91.224 > 69 71 Zr 0.75811153109043 0.37500000000000 0.85888721597342 91.224 > 71 72 Zr 0.75811153109043 0.87500000000000 0.85888721597342 91.224 > 71 73 Ba 0.94718438713629 0.12500000000000 0.65987117993248 137.327 > 73 74 Ba 0.94718438713629 0.62500000000000 0.65987117993248 137.327 > 73 75 Ba 0.05281561286371 0.37500000000000 0.34012882006752 137.327 > 75 76 Ba 0.05281561286371 0.87500000000000 0.34012882006752 137.327 > 75 77 Ba 0.44718438713629 0.12500000000000 0.84012882006752 137.327 > 77 78 Ba 0.44718438713629 0.62500000000000 0.84012882006752 137.327 > 77 79 Ba 0.55281561286371 0.37500000000000 0.15987117993248 137.327 > 79 80 Ba 0.55281561286371 0.87500000000000 0.15987117993248 137.327 > 79 81 Ba 0.36166389037953 0.12500000000000 0.44119975125722 137.327 > 81 82 Ba 0.36166389037953 0.62500000000000 0.44119975125722 137.327 > 81 83 Ba 0.63833610962047 0.37500000000000 0.55880024874278 137.327 > 83 84 Ba 0.63833610962047 0.87500000000000 0.55880024874278 137.327 > 83 85 Ba 0.86166389037953 0.12500000000000 0.05880024874278 137.327 > 85 86 Ba 0.86166389037953 0.62500000000000 0.05880024874278 137.327 > 85 87 Ba 0.13833610962047 0.37500000000000 0.94119975125722 137.327 > 87 88 Ba 0.13833610962047 0.87500000000000 0.94119975125722 137.327 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6072742 0.0000000 0.0000000 0.0000000 2.6571113 0.0000000 0.0000000 0.0000000 2.7025055 -------------------------- Born effective charges -------------------------- 1 F -1.1148548 0.0000000 -0.1158814 0.0000000 -1.0738876 0.0000000 -0.1446452 0.0000000 -1.4929566 2 F -1.1148548 0.0000000 -0.1158814 0.0000000 -1.0738876 0.0000000 -0.1446452 0.0000000 -1.4929566 3 F -1.1148548 0.0000000 0.1158814 0.0000000 -1.0738876 0.0000000 0.1446452 0.0000000 -1.4929566 4 F -1.1148548 0.0000000 0.1158814 0.0000000 -1.0738876 0.0000000 0.1446452 0.0000000 -1.4929566 5 F -1.1107669 0.0000000 0.2110661 0.0000000 -1.2086416 0.0000000 0.1968036 0.0000000 -1.3614334 6 F -1.1107669 0.0000000 0.2110661 0.0000000 -1.2086416 0.0000000 0.1968036 0.0000000 -1.3614334 7 F -1.1107669 0.0000000 -0.2110661 0.0000000 -1.2086416 0.0000000 -0.1968036 0.0000000 -1.3614334 8 F -1.1107669 0.0000000 -0.2110661 0.0000000 -1.2086416 0.0000000 -0.1968036 0.0000000 -1.3614334 9 F -1.1522532 -0.4121001 0.2361043 -0.3899318 -1.2097538 0.1577714 0.2180631 0.1785361 -1.3157371 10 F -1.1522532 0.4121001 0.2361043 0.3899318 -1.2097538 -0.1577714 0.2180631 -0.1785361 -1.3157371 11 F -1.1522532 0.4121001 -0.2361043 0.3899318 -1.2097538 0.1577714 -0.2180631 0.1785361 -1.3157371 12 F -1.1522532 -0.4121001 -0.2361043 -0.3899318 -1.2097538 -0.1577714 -0.2180631 -0.1785361 -1.3157371 13 F -1.2787350 0.3676623 -0.0221705 0.3730483 -1.3605873 0.0063844 -0.0364704 0.0306661 -1.0842859 14 F -1.2787350 -0.3676623 -0.0221705 -0.3730483 -1.3605873 -0.0063844 -0.0364704 -0.0306661 -1.0842859 15 F -1.2787350 -0.3676623 0.0221705 -0.3730483 -1.3605873 0.0063844 0.0364704 0.0306661 -1.0842859 16 F -1.2787350 0.3676623 0.0221705 0.3730483 -1.3605873 -0.0063844 0.0364704 -0.0306661 -1.0842859 17 F -1.2787350 0.3676623 -0.0221705 0.3730483 -1.3605873 0.0063844 -0.0364704 0.0306661 -1.0842859 18 F -1.2787350 -0.3676623 -0.0221705 -0.3730483 -1.3605873 -0.0063844 -0.0364704 -0.0306661 -1.0842859 19 F -1.2787350 -0.3676623 0.0221705 -0.3730483 -1.3605873 0.0063844 0.0364704 0.0306661 -1.0842859 20 F -1.2787350 0.3676623 0.0221705 0.3730483 -1.3605873 -0.0063844 0.0364704 -0.0306661 -1.0842859 21 F -1.1998373 0.2399442 -0.1878042 0.2733676 -1.2216916 0.2417028 -0.1848368 0.2333436 -1.2712079 22 F -1.1998373 -0.2399442 -0.1878042 -0.2733676 -1.2216916 -0.2417028 -0.1848368 -0.2333436 -1.2712079 23 F -1.1998373 -0.2399442 0.1878042 -0.2733676 -1.2216916 0.2417028 0.1848368 0.2333436 -1.2712079 24 F -1.1998373 0.2399442 0.1878042 0.2733676 -1.2216916 -0.2417028 0.1848368 -0.2333436 -1.2712079 25 F -1.1998373 0.2399442 -0.1878042 0.2733676 -1.2216916 0.2417028 -0.1848368 0.2333436 -1.2712079 26 F -1.1998373 -0.2399442 -0.1878042 -0.2733676 -1.2216916 -0.2417028 -0.1848368 -0.2333436 -1.2712079 27 F -1.1998373 -0.2399442 0.1878042 -0.2733676 -1.2216916 0.2417028 0.1848368 0.2333436 -1.2712079 28 F -1.1998373 0.2399442 0.1878042 0.2733676 -1.2216916 -0.2417028 0.1848368 -0.2333436 -1.2712079 29 F -1.1522532 -0.4121001 -0.2361043 -0.3899318 -1.2097538 -0.1577714 -0.2180631 -0.1785361 -1.3157371 30 F -1.1522532 0.4121001 -0.2361043 0.3899318 -1.2097538 0.1577714 -0.2180631 0.1785361 -1.3157371 31 F -1.1522532 0.4121001 0.2361043 0.3899318 -1.2097538 -0.1577714 0.2180631 -0.1785361 -1.3157371 32 F -1.1522532 -0.4121001 0.2361043 -0.3899318 -1.2097538 0.1577714 0.2180631 0.1785361 -1.3157371 33 Zr 4.2379137 0.0000000 -0.2169011 0.0000000 4.3855473 0.0000000 -0.1248001 0.0000000 4.5374425 34 Zr 4.2379137 0.0000000 -0.2169011 0.0000000 4.3855473 0.0000000 -0.1248001 0.0000000 4.5374425 35 Zr 4.2379137 0.0000000 0.2169011 0.0000000 4.3855473 0.0000000 0.1248001 0.0000000 4.5374425 36 Zr 4.2379137 0.0000000 0.2169011 0.0000000 4.3855473 0.0000000 0.1248001 0.0000000 4.5374425 37 Ba 2.6931591 0.0000000 0.0301233 0.0000000 2.8403609 0.0000000 0.0274524 0.0000000 2.7470100 38 Ba 2.6931591 0.0000000 0.0301233 0.0000000 2.8403609 0.0000000 0.0274524 0.0000000 2.7470100 39 Ba 2.6931591 0.0000000 -0.0301233 0.0000000 2.8403609 0.0000000 -0.0274524 0.0000000 2.7470100 40 Ba 2.6931591 0.0000000 -0.0301233 0.0000000 2.8403609 0.0000000 -0.0274524 0.0000000 2.7470100 41 Ba 2.5561998 0.0000000 0.0324238 0.0000000 2.6406864 0.0000000 0.0461969 0.0000000 2.9123991 42 Ba 2.5561998 0.0000000 0.0324238 0.0000000 2.6406864 0.0000000 0.0461969 0.0000000 2.9123991 43 Ba 2.5561998 0.0000000 -0.0324238 0.0000000 2.6406864 0.0000000 -0.0461969 0.0000000 2.9123991 44 Ba 2.5561998 0.0000000 -0.0324238 0.0000000 2.6406864 0.0000000 -0.0461969 0.0000000 2.9123991 ---------------------------------------------------------------------------- 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[ 9, 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[ 17, 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) 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 2026-01-07 21:05:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:05:15]------------------------- Compiled with OpenMP support (max 32 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): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.708474590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.591249020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.864424220000000 Atomic positions (fractional): 1 F 0.63668552292900 0.25000000000000 0.19200255291506 18.998 2 F 0.36331447707100 0.75000000000000 0.80799744708494 18.998 3 F 0.13668552292900 0.25000000000000 0.30799744708493 18.998 4 F 0.86331447707100 0.75000000000000 0.69200255291506 18.998 5 F 0.64625978401385 0.25000000000000 0.52511029937502 18.998 6 F 0.35374021598615 0.75000000000000 0.47488970062498 18.998 7 F 0.14625978401385 0.25000000000000 0.97488970062498 18.998 8 F 0.85374021598615 0.75000000000000 0.02511029937502 18.998 9 F 0.15697052714264 0.51007980285243 0.74536873823684 18.998 10 F 0.84302947285736 0.01007980285243 0.25463126176316 18.998 11 F 0.65697052714264 0.98992019714757 0.75463126176316 18.998 12 F 0.34302947285736 0.48992019714757 0.24536873823684 18.998 13 F 0.90820816539583 0.48779191805257 0.86252445629579 18.998 14 F 0.09179183460417 0.98779191805257 0.13747554370421 18.998 15 F 0.40820816539583 0.01220808194743 0.63747554370421 18.998 16 F 0.59179183460417 0.51220808194743 0.36252445629579 18.998 17 F 0.09179183460417 0.51220808194743 0.13747554370421 18.998 18 F 0.90820816539583 0.01220808194743 0.86252445629579 18.998 19 F 0.59179183460417 0.98779191805257 0.36252445629579 18.998 20 F 0.40820816539583 0.48779191805257 0.63747554370421 18.998 21 F 0.85627457658725 0.01523110940272 0.46325788763985 18.998 22 F 0.14372542341275 0.51523110940272 0.53674211236015 18.998 23 F 0.35627457658725 0.48476889059728 0.03674211236015 18.998 24 F 0.64372542341275 0.98476889059728 0.96325788763985 18.998 25 F 0.14372542341275 0.98476889059728 0.53674211236015 18.998 26 F 0.85627457658725 0.48476889059728 0.46325788763985 18.998 27 F 0.64372542341275 0.51523110940272 0.96325788763985 18.998 28 F 0.35627457658725 0.01523110940272 0.03674211236015 18.998 29 F 0.65697052714264 0.51007980285243 0.75463126176316 18.998 30 F 0.34302947285736 0.01007980285243 0.24536873823684 18.998 31 F 0.15697052714264 0.98992019714757 0.74536873823684 18.998 32 F 0.84302947285736 0.48992019714757 0.25463126176316 18.998 33 Zr 0.74188846890957 0.25000000000000 0.35888721597342 91.224 34 Zr 0.25811153109043 0.75000000000000 0.64111278402658 91.224 35 Zr 0.24188846890957 0.25000000000000 0.14111278402658 91.224 36 Zr 0.75811153109043 0.75000000000000 0.85888721597342 91.224 37 Ba 0.94718438713629 0.25000000000000 0.65987117993248 137.327 38 Ba 0.05281561286371 0.75000000000000 0.34012882006752 137.327 39 Ba 0.44718438713629 0.25000000000000 0.84012882006752 137.327 40 Ba 0.55281561286371 0.75000000000000 0.15987117993248 137.327 41 Ba 0.36166389037953 0.25000000000000 0.44119975125722 137.327 42 Ba 0.63833610962047 0.75000000000000 0.55880024874278 137.327 43 Ba 0.86166389037953 0.25000000000000 0.05880024874278 137.327 44 Ba 0.13833610962047 0.75000000000000 0.94119975125722 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.708474590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.182498040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.864424220000000 Atomic positions (fractional): 1 F 0.63668552292900 0.12500000000000 0.19200255291506 18.998 > 1 2 F 0.63668552292900 0.62500000000000 0.19200255291506 18.998 > 1 3 F 0.36331447707100 0.37500000000000 0.80799744708494 18.998 > 3 4 F 0.36331447707100 0.87500000000000 0.80799744708494 18.998 > 3 5 F 0.13668552292900 0.12500000000000 0.30799744708493 18.998 > 5 6 F 0.13668552292900 0.62500000000000 0.30799744708493 18.998 > 5 7 F 0.86331447707100 0.37500000000000 0.69200255291506 18.998 > 7 8 F 0.86331447707100 0.87500000000000 0.69200255291506 18.998 > 7 9 F 0.64625978401385 0.12500000000000 0.52511029937502 18.998 > 9 10 F 0.64625978401385 0.62500000000000 0.52511029937502 18.998 > 9 11 F 0.35374021598615 0.37500000000000 0.47488970062498 18.998 > 11 12 F 0.35374021598615 0.87500000000000 0.47488970062498 18.998 > 11 13 F 0.14625978401385 0.12500000000000 0.97488970062498 18.998 > 13 14 F 0.14625978401385 0.62500000000000 0.97488970062498 18.998 > 13 15 F 0.85374021598615 0.37500000000000 0.02511029937502 18.998 > 15 16 F 0.85374021598615 0.87500000000000 0.02511029937502 18.998 > 15 17 F 0.15697052714264 0.25503990142621 0.74536873823684 18.998 > 17 18 F 0.15697052714264 0.75503990142621 0.74536873823684 18.998 > 17 19 F 0.84302947285736 0.00503990142621 0.25463126176316 18.998 > 19 20 F 0.84302947285736 0.50503990142621 0.25463126176316 18.998 > 19 21 F 0.65697052714264 0.49496009857379 0.75463126176316 18.998 > 21 22 F 0.65697052714264 0.99496009857379 0.75463126176316 18.998 > 21 23 F 0.34302947285736 0.24496009857379 0.24536873823684 18.998 > 23 24 F 0.34302947285736 0.74496009857379 0.24536873823684 18.998 > 23 25 F 0.90820816539583 0.24389595902628 0.86252445629579 18.998 > 25 26 F 0.90820816539583 0.74389595902629 0.86252445629579 18.998 > 25 27 F 0.09179183460417 0.49389595902629 0.13747554370421 18.998 > 27 28 F 0.09179183460417 0.99389595902629 0.13747554370421 18.998 > 27 29 F 0.40820816539583 0.00610404097371 0.63747554370421 18.998 > 29 30 F 0.40820816539583 0.50610404097371 0.63747554370421 18.998 > 29 31 F 0.59179183460417 0.25610404097371 0.36252445629579 18.998 > 31 32 F 0.59179183460417 0.75610404097371 0.36252445629579 18.998 > 31 33 F 0.09179183460417 0.25610404097371 0.13747554370421 18.998 > 33 34 F 0.09179183460417 0.75610404097371 0.13747554370421 18.998 > 33 35 F 0.90820816539583 0.00610404097371 0.86252445629579 18.998 > 35 36 F 0.90820816539583 0.50610404097371 0.86252445629579 18.998 > 35 37 F 0.59179183460417 0.49389595902629 0.36252445629579 18.998 > 37 38 F 0.59179183460417 0.99389595902629 0.36252445629579 18.998 > 37 39 F 0.40820816539583 0.24389595902628 0.63747554370421 18.998 > 39 40 F 0.40820816539583 0.74389595902629 0.63747554370421 18.998 > 39 41 F 0.85627457658725 0.00761555470136 0.46325788763985 18.998 > 41 42 F 0.85627457658725 0.50761555470136 0.46325788763985 18.998 > 41 43 F 0.14372542341275 0.25761555470136 0.53674211236015 18.998 > 43 44 F 0.14372542341275 0.75761555470136 0.53674211236015 18.998 > 43 45 F 0.35627457658725 0.24238444529864 0.03674211236015 18.998 > 45 46 F 0.35627457658725 0.74238444529864 0.03674211236015 18.998 > 45 47 F 0.64372542341275 0.49238444529864 0.96325788763985 18.998 > 47 48 F 0.64372542341275 0.99238444529864 0.96325788763985 18.998 > 47 49 F 0.14372542341275 0.49238444529864 0.53674211236015 18.998 > 49 50 F 0.14372542341275 0.99238444529864 0.53674211236015 18.998 > 49 51 F 0.85627457658725 0.24238444529864 0.46325788763985 18.998 > 51 52 F 0.85627457658725 0.74238444529864 0.46325788763985 18.998 > 51 53 F 0.64372542341275 0.25761555470136 0.96325788763985 18.998 > 53 54 F 0.64372542341275 0.75761555470136 0.96325788763985 18.998 > 53 55 F 0.35627457658725 0.00761555470136 0.03674211236015 18.998 > 55 56 F 0.35627457658725 0.50761555470136 0.03674211236015 18.998 > 55 57 F 0.65697052714264 0.25503990142621 0.75463126176316 18.998 > 57 58 F 0.65697052714264 0.75503990142621 0.75463126176316 18.998 > 57 59 F 0.34302947285736 0.00503990142621 0.24536873823684 18.998 > 59 60 F 0.34302947285736 0.50503990142621 0.24536873823684 18.998 > 59 61 F 0.15697052714264 0.49496009857379 0.74536873823684 18.998 > 61 62 F 0.15697052714264 0.99496009857379 0.74536873823684 18.998 > 61 63 F 0.84302947285736 0.24496009857379 0.25463126176316 18.998 > 63 64 F 0.84302947285736 0.74496009857379 0.25463126176316 18.998 > 63 65 Zr 0.74188846890957 0.12500000000000 0.35888721597342 91.224 > 65 66 Zr 0.74188846890957 0.62500000000000 0.35888721597342 91.224 > 65 67 Zr 0.25811153109043 0.37500000000000 0.64111278402658 91.224 > 67 68 Zr 0.25811153109043 0.87500000000000 0.64111278402658 91.224 > 67 69 Zr 0.24188846890957 0.12500000000000 0.14111278402658 91.224 > 69 70 Zr 0.24188846890957 0.62500000000000 0.14111278402658 91.224 > 69 71 Zr 0.75811153109043 0.37500000000000 0.85888721597342 91.224 > 71 72 Zr 0.75811153109043 0.87500000000000 0.85888721597342 91.224 > 71 73 Ba 0.94718438713629 0.12500000000000 0.65987117993248 137.327 > 73 74 Ba 0.94718438713629 0.62500000000000 0.65987117993248 137.327 > 73 75 Ba 0.05281561286371 0.37500000000000 0.34012882006752 137.327 > 75 76 Ba 0.05281561286371 0.87500000000000 0.34012882006752 137.327 > 75 77 Ba 0.44718438713629 0.12500000000000 0.84012882006752 137.327 > 77 78 Ba 0.44718438713629 0.62500000000000 0.84012882006752 137.327 > 77 79 Ba 0.55281561286371 0.37500000000000 0.15987117993248 137.327 > 79 80 Ba 0.55281561286371 0.87500000000000 0.15987117993248 137.327 > 79 81 Ba 0.36166389037953 0.12500000000000 0.44119975125722 137.327 > 81 82 Ba 0.36166389037953 0.62500000000000 0.44119975125722 137.327 > 81 83 Ba 0.63833610962047 0.37500000000000 0.55880024874278 137.327 > 83 84 Ba 0.63833610962047 0.87500000000000 0.55880024874278 137.327 > 83 85 Ba 0.86166389037953 0.12500000000000 0.05880024874278 137.327 > 85 86 Ba 0.86166389037953 0.62500000000000 0.05880024874278 137.327 > 85 87 Ba 0.13833610962047 0.37500000000000 0.94119975125722 137.327 > 87 88 Ba 0.13833610962047 0.87500000000000 0.94119975125722 137.327 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6072742 0.0000000 0.0000000 0.0000000 2.6571113 0.0000000 0.0000000 0.0000000 2.7025055 -------------------------- Born effective charges -------------------------- 1 F -1.1148548 0.0000000 -0.1158814 0.0000000 -1.0738876 0.0000000 -0.1446452 0.0000000 -1.4929566 2 F -1.1148548 0.0000000 -0.1158814 0.0000000 -1.0738876 0.0000000 -0.1446452 0.0000000 -1.4929566 3 F -1.1148548 0.0000000 0.1158814 0.0000000 -1.0738876 0.0000000 0.1446452 0.0000000 -1.4929566 4 F -1.1148548 0.0000000 0.1158814 0.0000000 -1.0738876 0.0000000 0.1446452 0.0000000 -1.4929566 5 F -1.1107669 0.0000000 0.2110661 0.0000000 -1.2086416 0.0000000 0.1968036 0.0000000 -1.3614334 6 F -1.1107669 0.0000000 0.2110661 0.0000000 -1.2086416 0.0000000 0.1968036 0.0000000 -1.3614334 7 F -1.1107669 0.0000000 -0.2110661 0.0000000 -1.2086416 0.0000000 -0.1968036 0.0000000 -1.3614334 8 F -1.1107669 0.0000000 -0.2110661 0.0000000 -1.2086416 0.0000000 -0.1968036 0.0000000 -1.3614334 9 F -1.1522532 -0.4121001 0.2361043 -0.3899318 -1.2097538 0.1577714 0.2180631 0.1785361 -1.3157371 10 F -1.1522532 0.4121001 0.2361043 0.3899318 -1.2097538 -0.1577714 0.2180631 -0.1785361 -1.3157371 11 F -1.1522532 0.4121001 -0.2361043 0.3899318 -1.2097538 0.1577714 -0.2180631 0.1785361 -1.3157371 12 F -1.1522532 -0.4121001 -0.2361043 -0.3899318 -1.2097538 -0.1577714 -0.2180631 -0.1785361 -1.3157371 13 F -1.2787350 0.3676623 -0.0221705 0.3730483 -1.3605873 0.0063844 -0.0364704 0.0306661 -1.0842859 14 F -1.2787350 -0.3676623 -0.0221705 -0.3730483 -1.3605873 -0.0063844 -0.0364704 -0.0306661 -1.0842859 15 F -1.2787350 -0.3676623 0.0221705 -0.3730483 -1.3605873 0.0063844 0.0364704 0.0306661 -1.0842859 16 F -1.2787350 0.3676623 0.0221705 0.3730483 -1.3605873 -0.0063844 0.0364704 -0.0306661 -1.0842859 17 F -1.2787350 0.3676623 -0.0221705 0.3730483 -1.3605873 0.0063844 -0.0364704 0.0306661 -1.0842859 18 F -1.2787350 -0.3676623 -0.0221705 -0.3730483 -1.3605873 -0.0063844 -0.0364704 -0.0306661 -1.0842859 19 F -1.2787350 -0.3676623 0.0221705 -0.3730483 -1.3605873 0.0063844 0.0364704 0.0306661 -1.0842859 20 F -1.2787350 0.3676623 0.0221705 0.3730483 -1.3605873 -0.0063844 0.0364704 -0.0306661 -1.0842859 21 F -1.1998373 0.2399442 -0.1878042 0.2733676 -1.2216916 0.2417028 -0.1848368 0.2333436 -1.2712079 22 F -1.1998373 -0.2399442 -0.1878042 -0.2733676 -1.2216916 -0.2417028 -0.1848368 -0.2333436 -1.2712079 23 F -1.1998373 -0.2399442 0.1878042 -0.2733676 -1.2216916 0.2417028 0.1848368 0.2333436 -1.2712079 24 F -1.1998373 0.2399442 0.1878042 0.2733676 -1.2216916 -0.2417028 0.1848368 -0.2333436 -1.2712079 25 F -1.1998373 0.2399442 -0.1878042 0.2733676 -1.2216916 0.2417028 -0.1848368 0.2333436 -1.2712079 26 F -1.1998373 -0.2399442 -0.1878042 -0.2733676 -1.2216916 -0.2417028 -0.1848368 -0.2333436 -1.2712079 27 F -1.1998373 -0.2399442 0.1878042 -0.2733676 -1.2216916 0.2417028 0.1848368 0.2333436 -1.2712079 28 F -1.1998373 0.2399442 0.1878042 0.2733676 -1.2216916 -0.2417028 0.1848368 -0.2333436 -1.2712079 29 F -1.1522532 -0.4121001 -0.2361043 -0.3899318 -1.2097538 -0.1577714 -0.2180631 -0.1785361 -1.3157371 30 F -1.1522532 0.4121001 -0.2361043 0.3899318 -1.2097538 0.1577714 -0.2180631 0.1785361 -1.3157371 31 F -1.1522532 0.4121001 0.2361043 0.3899318 -1.2097538 -0.1577714 0.2180631 -0.1785361 -1.3157371 32 F -1.1522532 -0.4121001 0.2361043 -0.3899318 -1.2097538 0.1577714 0.2180631 0.1785361 -1.3157371 33 Zr 4.2379137 0.0000000 -0.2169011 0.0000000 4.3855473 0.0000000 -0.1248001 0.0000000 4.5374425 34 Zr 4.2379137 0.0000000 -0.2169011 0.0000000 4.3855473 0.0000000 -0.1248001 0.0000000 4.5374425 35 Zr 4.2379137 0.0000000 0.2169011 0.0000000 4.3855473 0.0000000 0.1248001 0.0000000 4.5374425 36 Zr 4.2379137 0.0000000 0.2169011 0.0000000 4.3855473 0.0000000 0.1248001 0.0000000 4.5374425 37 Ba 2.6931591 0.0000000 0.0301233 0.0000000 2.8403609 0.0000000 0.0274524 0.0000000 2.7470100 38 Ba 2.6931591 0.0000000 0.0301233 0.0000000 2.8403609 0.0000000 0.0274524 0.0000000 2.7470100 39 Ba 2.6931591 0.0000000 -0.0301233 0.0000000 2.8403609 0.0000000 -0.0274524 0.0000000 2.7470100 40 Ba 2.6931591 0.0000000 -0.0301233 0.0000000 2.8403609 0.0000000 -0.0274524 0.0000000 2.7470100 41 Ba 2.5561998 0.0000000 0.0324238 0.0000000 2.6406864 0.0000000 0.0461969 0.0000000 2.9123991 42 Ba 2.5561998 0.0000000 0.0324238 0.0000000 2.6406864 0.0000000 0.0461969 0.0000000 2.9123991 43 Ba 2.5561998 0.0000000 -0.0324238 0.0000000 2.6406864 0.0000000 -0.0461969 0.0000000 2.9123991 44 Ba 2.5561998 0.0000000 -0.0324238 0.0000000 2.6406864 0.0000000 -0.0461969 0.0000000 2.9123991 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 307, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 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 1.474 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 5.873 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.016 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.234 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.159 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.449 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.503 ( 0.000 0.000 0.000) 0.000 8.513 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.570 ( 0.000 0.000 0.000) 0.000 8.945 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 9.151 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.235 ( 0.000 0.000 0.000) 0.000 9.332 ( 0.000 0.000 0.000) 0.000 9.414 ( 0.000 0.000 0.000) 0.000 9.611 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 9.621 ( 0.000 0.000 0.000) 0.000 9.725 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 9.951 ( 0.000 0.000 0.000) 0.000 10.012 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.707 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 10.744 ( 0.000 0.000 0.000) 0.000 10.755 ( 0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 0.000) 0.000 10.955 ( 0.000 0.000 0.000) 0.000 11.128 ( 0.000 0.000 0.000) 0.000 11.136 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.452 ( 0.000 0.000 0.000) 0.000 11.540 ( 0.000 0.000 0.000) 0.000 11.580 ( 0.000 0.000 0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 12.214 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.747 ( 0.000 0.000 0.000) 0.000 12.851 ( 0.000 0.000 0.000) 0.000 12.963 ( 0.000 0.000 0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.497 ( 0.000 0.000 0.000) 0.000 13.501 ( 0.000 0.000 0.000) 0.000 13.660 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 0.000) 0.000 14.109 ( 0.000 0.000 0.000) 0.000 14.379 ( 0.000 0.000 0.000) 0.000 15.488 ( 0.000 0.000 0.000) 0.000 15.492 ( 0.000 0.000 0.000) 0.000 15.616 ( 0.000 0.000 0.000) 0.000 15.677 ( 0.000 0.000 0.000) 0.000 15.696 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 19.655 0.000 0.000) 19.655 0.444 ( 21.398 0.000 0.000) 21.398 0.708 ( 32.919 0.000 0.000) 32.919 1.455 ( -5.276 0.000 0.000) 5.276 1.554 ( -9.793 0.000 0.000) 9.793 1.623 ( 1.529 0.000 0.000) 1.529 1.721 ( 1.912 0.000 0.000) 1.912 1.726 ( 3.222 0.000 0.000) 3.222 1.733 ( 1.938 0.000 0.000) 1.938 1.808 ( 5.779 0.000 0.000) 5.779 1.884 ( 3.897 0.000 0.000) 3.897 2.004 ( -5.203 0.000 0.000) 5.203 2.099 ( 2.451 0.000 0.000) 2.451 2.120 ( -4.285 0.000 0.000) 4.285 2.232 ( -1.073 0.000 0.000) 1.073 2.345 ( -2.753 0.000 0.000) 2.753 2.345 ( -7.433 0.000 0.000) 7.433 2.346 ( 3.124 0.000 0.000) 3.124 2.354 ( -8.397 0.000 0.000) 8.397 2.591 ( 3.608 0.000 0.000) 3.608 2.613 ( 3.975 0.000 0.000) 3.975 2.621 ( -5.127 0.000 0.000) 5.127 2.627 ( -3.194 0.000 0.000) 3.194 2.727 ( -2.177 0.000 0.000) 2.177 2.861 ( -2.915 0.000 0.000) 2.915 2.999 ( -2.519 0.000 0.000) 2.519 3.133 ( -1.729 0.000 0.000) 1.729 3.195 ( -4.621 0.000 0.000) 4.621 3.226 ( -5.682 0.000 0.000) 5.682 3.289 ( -0.398 0.000 0.000) 0.398 3.307 ( -2.686 0.000 0.000) 2.686 3.340 ( -4.660 0.000 0.000) 4.660 3.416 ( 0.989 0.000 0.000) 0.989 3.461 ( 1.673 0.000 0.000) 1.673 3.514 ( 6.840 0.000 0.000) 6.840 3.591 ( -0.012 0.000 0.000) 0.012 3.593 ( 6.158 0.000 0.000) 6.158 3.635 ( 2.928 0.000 0.000) 2.928 3.744 ( 1.786 0.000 0.000) 1.786 3.811 ( 0.055 0.000 0.000) 0.055 3.851 ( 0.705 0.000 0.000) 0.705 3.903 ( 1.488 0.000 0.000) 1.488 3.937 ( 5.965 0.000 0.000) 5.965 3.948 ( 2.515 0.000 0.000) 2.515 4.012 ( -0.028 0.000 0.000) 0.028 4.163 ( -1.198 0.000 0.000) 1.198 4.262 ( -6.304 0.000 0.000) 6.304 4.316 ( 0.176 0.000 0.000) 0.176 4.563 ( 1.315 0.000 0.000) 1.315 4.662 ( 1.019 0.000 0.000) 1.019 4.740 ( 0.042 0.000 0.000) 0.042 4.851 ( -2.687 0.000 0.000) 2.687 5.664 ( 4.969 0.000 0.000) 4.969 5.894 ( 1.598 0.000 0.000) 1.598 5.949 ( 0.446 0.000 0.000) 0.446 5.985 ( -2.788 0.000 0.000) 2.788 5.985 ( 1.321 0.000 0.000) 1.321 6.004 ( -0.692 0.000 0.000) 0.692 6.022 ( 0.905 0.000 0.000) 0.905 6.187 ( -4.342 0.000 0.000) 4.342 6.457 ( 1.643 0.000 0.000) 1.643 6.581 ( 1.771 0.000 0.000) 1.771 6.601 ( -2.532 0.000 0.000) 2.532 6.608 ( 0.708 0.000 0.000) 0.708 6.646 ( -0.491 0.000 0.000) 0.491 6.667 ( -0.310 0.000 0.000) 0.310 7.008 ( 0.722 0.000 0.000) 0.722 7.073 ( -0.706 0.000 0.000) 0.706 7.653 ( -0.492 0.000 0.000) 0.492 7.658 ( -1.590 0.000 0.000) 1.590 7.756 ( 2.591 0.000 0.000) 2.591 8.157 ( -1.518 0.000 0.000) 1.518 8.270 ( 0.871 0.000 0.000) 0.871 8.328 ( -7.741 0.000 0.000) 7.741 8.451 ( 0.195 0.000 0.000) 0.195 8.471 ( -0.197 0.000 0.000) 0.197 8.516 ( 0.284 0.000 0.000) 0.284 8.555 ( -3.073 0.000 0.000) 3.073 8.561 ( -0.781 0.000 0.000) 0.781 8.581 ( -0.410 0.000 0.000) 0.410 8.950 ( 2.256 0.000 0.000) 2.256 8.981 ( 3.332 0.000 0.000) 3.332 9.149 ( -0.294 0.000 0.000) 0.294 9.160 ( 7.960 0.000 0.000) 7.960 9.205 ( -1.725 0.000 0.000) 1.725 9.267 ( 2.322 0.000 0.000) 2.322 9.315 ( -1.031 0.000 0.000) 1.031 9.402 ( -0.779 0.000 0.000) 0.779 9.429 ( -5.982 0.000 0.000) 5.982 9.572 ( -3.998 0.000 0.000) 3.998 9.668 ( 4.983 0.000 0.000) 4.983 9.741 ( 1.186 0.000 0.000) 1.186 9.759 ( 2.123 0.000 0.000) 2.123 9.766 ( 2.168 0.000 0.000) 2.168 9.866 ( 0.514 0.000 0.000) 0.514 9.921 ( -1.227 0.000 0.000) 1.227 9.942 ( 0.612 0.000 0.000) 0.612 10.044 ( 3.970 0.000 0.000) 3.970 10.060 ( 3.270 0.000 0.000) 3.270 10.189 ( -0.422 0.000 0.000) 0.422 10.720 ( 0.499 0.000 0.000) 0.499 10.744 ( 0.070 0.000 0.000) 0.070 10.745 ( 3.300 0.000 0.000) 3.300 10.779 ( 1.846 0.000 0.000) 1.846 10.913 ( -0.580 0.000 0.000) 0.580 10.939 ( -1.474 0.000 0.000) 1.474 11.119 ( -0.733 0.000 0.000) 0.733 11.128 ( -0.671 0.000 0.000) 0.671 11.331 ( 1.677 0.000 0.000) 1.677 11.449 ( -0.564 0.000 0.000) 0.564 11.551 ( 1.275 0.000 0.000) 1.275 11.590 ( 0.576 0.000 0.000) 0.576 11.781 ( 3.376 0.000 0.000) 3.376 11.827 ( 3.834 0.000 0.000) 3.834 12.211 ( -7.890 0.000 0.000) 7.890 12.245 ( 2.918 0.000 0.000) 2.918 12.311 ( -8.514 0.000 0.000) 8.514 12.692 ( -5.791 0.000 0.000) 5.791 12.955 ( 8.557 0.000 0.000) 8.557 13.059 ( 7.695 0.000 0.000) 7.695 13.361 ( -14.919 0.000 0.000) 14.919 13.452 ( -4.176 0.000 0.000) 4.176 13.470 ( -3.114 0.000 0.000) 3.114 13.717 ( -17.396 0.000 0.000) 17.396 14.193 ( 15.787 0.000 0.000) 15.787 14.477 ( 5.489 0.000 0.000) 5.489 15.416 ( -0.812 0.000 0.000) 0.812 15.439 ( -2.196 0.000 0.000) 2.196 15.547 ( 2.949 0.000 0.000) 2.949 15.643 ( 2.065 0.000 0.000) 2.065 15.692 ( -0.905 0.000 0.000) 0.905 15.699 ( 0.004 0.000 0.000) 0.004 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 18.271 0.000 0.000) 18.271 0.876 ( 20.343 0.000 0.000) 20.343 1.117 ( -7.443 0.000 0.000) 7.443 1.269 ( -17.199 0.000 0.000) 17.199 1.442 ( 18.296 0.000 0.000) 18.296 1.676 ( 3.462 0.000 0.000) 3.462 1.727 ( -4.999 0.000 0.000) 4.999 1.743 ( -1.948 0.000 0.000) 1.948 1.818 ( 5.295 0.000 0.000) 5.295 1.931 ( 4.219 0.000 0.000) 4.219 1.946 ( 0.248 0.000 0.000) 0.248 1.992 ( -10.244 0.000 0.000) 10.244 2.048 ( 13.590 0.000 0.000) 13.590 2.156 ( 2.428 0.000 0.000) 2.428 2.200 ( -2.105 0.000 0.000) 2.105 2.225 ( -2.412 0.000 0.000) 2.412 2.252 ( 1.939 0.000 0.000) 1.939 2.268 ( -4.332 0.000 0.000) 4.332 2.357 ( -4.005 0.000 0.000) 4.005 2.412 ( -18.634 0.000 0.000) 18.634 2.549 ( 0.341 0.000 0.000) 0.341 2.604 ( -3.995 0.000 0.000) 3.995 2.645 ( 1.688 0.000 0.000) 1.688 2.660 ( 0.444 0.000 0.000) 0.444 2.879 ( 2.815 0.000 0.000) 2.815 2.939 ( -2.998 0.000 0.000) 2.998 3.124 ( 0.711 0.000 0.000) 0.711 3.145 ( -1.977 0.000 0.000) 1.977 3.180 ( 2.149 0.000 0.000) 2.149 3.234 ( -3.039 0.000 0.000) 3.039 3.244 ( -2.893 0.000 0.000) 2.893 3.245 ( -3.417 0.000 0.000) 3.417 3.471 ( 2.289 0.000 0.000) 2.289 3.488 ( 0.585 0.000 0.000) 0.585 3.609 ( 1.298 0.000 0.000) 1.298 3.613 ( 1.808 0.000 0.000) 1.808 3.668 ( 1.134 0.000 0.000) 1.134 3.669 ( 0.655 0.000 0.000) 0.655 3.800 ( 2.793 0.000 0.000) 2.793 3.832 ( 0.443 0.000 0.000) 0.443 3.888 ( 4.828 0.000 0.000) 4.828 3.968 ( 3.506 0.000 0.000) 3.506 4.007 ( -0.697 0.000 0.000) 0.697 4.011 ( 4.108 0.000 0.000) 4.108 4.020 ( -3.001 0.000 0.000) 3.001 4.108 ( -4.169 0.000 0.000) 4.169 4.152 ( 1.147 0.000 0.000) 1.147 4.260 ( -5.398 0.000 0.000) 5.398 4.628 ( 4.237 0.000 0.000) 4.237 4.678 ( -0.029 0.000 0.000) 0.029 4.742 ( 0.308 0.000 0.000) 0.308 4.780 ( -3.601 0.000 0.000) 3.601 5.792 ( 6.691 0.000 0.000) 6.691 5.909 ( -4.537 0.000 0.000) 4.537 5.934 ( 2.032 0.000 0.000) 2.032 5.974 ( -1.832 0.000 0.000) 1.832 5.978 ( 2.812 0.000 0.000) 2.812 6.020 ( 1.776 0.000 0.000) 1.776 6.041 ( 0.123 0.000 0.000) 0.123 6.073 ( -5.965 0.000 0.000) 5.965 6.499 ( 2.242 0.000 0.000) 2.242 6.547 ( -2.479 0.000 0.000) 2.479 6.619 ( 0.327 0.000 0.000) 0.327 6.622 ( 1.922 0.000 0.000) 1.922 6.629 ( -0.820 0.000 0.000) 0.820 6.653 ( -1.063 0.000 0.000) 1.063 7.028 ( 1.155 0.000 0.000) 1.155 7.053 ( -1.160 0.000 0.000) 1.160 7.630 ( -0.716 0.000 0.000) 0.716 7.634 ( -0.942 0.000 0.000) 0.942 7.859 ( 7.186 0.000 0.000) 7.186 8.032 ( -8.871 0.000 0.000) 8.871 8.274 ( 0.666 0.000 0.000) 0.666 8.285 ( 0.168 0.000 0.000) 0.168 8.457 ( 0.386 0.000 0.000) 0.386 8.465 ( -0.387 0.000 0.000) 0.387 8.510 ( -0.591 0.000 0.000) 0.591 8.525 ( 0.627 0.000 0.000) 0.627 8.537 ( -2.659 0.000 0.000) 2.659 8.542 ( -0.943 0.000 0.000) 0.943 9.034 ( 5.156 0.000 0.000) 5.156 9.069 ( 4.661 0.000 0.000) 4.661 9.124 ( -2.711 0.000 0.000) 2.711 9.153 ( -3.325 0.000 0.000) 3.325 9.253 ( 1.251 0.000 0.000) 1.251 9.284 ( -1.776 0.000 0.000) 1.776 9.322 ( 1.554 0.000 0.000) 1.554 9.341 ( -1.095 0.000 0.000) 1.095 9.405 ( 1.539 0.000 0.000) 1.539 9.473 ( -4.794 0.000 0.000) 4.794 9.766 ( 3.107 0.000 0.000) 3.107 9.774 ( 1.767 0.000 0.000) 1.767 9.791 ( 0.208 0.000 0.000) 0.208 9.793 ( 0.488 0.000 0.000) 0.488 9.879 ( 0.550 0.000 0.000) 0.550 9.893 ( -1.122 0.000 0.000) 1.122 10.003 ( 4.836 0.000 0.000) 4.836 10.078 ( -1.363 0.000 0.000) 1.363 10.126 ( 3.050 0.000 0.000) 3.050 10.176 ( -1.350 0.000 0.000) 1.350 10.733 ( 0.689 0.000 0.000) 0.689 10.743 ( -0.265 0.000 0.000) 0.265 10.823 ( 3.783 0.000 0.000) 3.783 10.836 ( 3.304 0.000 0.000) 3.304 10.886 ( -2.184 0.000 0.000) 2.184 10.897 ( -2.514 0.000 0.000) 2.514 11.107 ( -0.220 0.000 0.000) 0.220 11.113 ( -0.688 0.000 0.000) 0.688 11.375 ( 2.412 0.000 0.000) 2.412 11.422 ( -1.933 0.000 0.000) 1.933 11.586 ( 1.616 0.000 0.000) 1.616 11.601 ( 0.198 0.000 0.000) 0.198 11.883 ( 6.355 0.000 0.000) 6.355 11.942 ( 7.280 0.000 0.000) 7.280 12.037 ( -8.357 0.000 0.000) 8.357 12.118 ( -9.452 0.000 0.000) 9.452 12.337 ( 6.325 0.000 0.000) 6.325 12.512 ( -10.148 0.000 0.000) 10.148 13.150 ( 9.576 0.000 0.000) 9.576 13.208 ( 0.765 0.000 0.000) 0.765 13.228 ( 8.052 0.000 0.000) 8.052 13.329 ( -7.571 0.000 0.000) 7.571 13.371 ( -13.992 0.000 0.000) 13.992 13.375 ( -6.020 0.000 0.000) 6.020 14.445 ( 8.241 0.000 0.000) 8.241 14.533 ( -0.531 0.000 0.000) 0.531 15.401 ( -0.433 0.000 0.000) 0.433 15.405 ( -0.925 0.000 0.000) 0.925 15.609 ( 2.866 0.000 0.000) 2.866 15.660 ( -2.052 0.000 0.000) 2.052 15.682 ( 1.415 0.000 0.000) 1.415 15.698 ( -0.298 0.000 0.000) 0.298 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 0.000 21.439 0.000) 21.439 0.507 ( 0.000 25.415 0.000) 25.415 0.824 ( 0.000 39.870 0.000) 39.870 1.514 ( 0.000 4.220 0.000) 4.220 1.666 ( 0.000 -0.260 0.000) 0.260 1.683 ( 0.000 4.996 0.000) 4.996 1.739 ( 0.000 2.836 0.000) 2.836 1.788 ( 0.000 7.227 0.000) 7.227 1.817 ( 0.000 12.436 0.000) 12.436 1.917 ( 0.000 9.144 0.000) 9.144 1.944 ( 0.000 12.565 0.000) 12.565 2.044 ( 0.000 -3.107 0.000) 3.107 2.119 ( 0.000 -4.233 0.000) 4.233 2.120 ( 0.000 5.323 0.000) 5.323 2.283 ( 0.000 3.025 0.000) 3.025 2.305 ( 0.000 0.448 0.000) 0.448 2.422 ( 0.000 -3.237 0.000) 3.237 2.447 ( 0.000 -1.900 0.000) 1.900 2.519 ( 0.000 10.835 0.000) 10.835 2.522 ( 0.000 -2.680 0.000) 2.680 2.550 ( 0.000 -1.137 0.000) 1.137 2.648 ( 0.000 -6.012 0.000) 6.012 2.662 ( 0.000 6.232 0.000) 6.232 2.680 ( 0.000 2.879 0.000) 2.879 2.858 ( 0.000 0.702 0.000) 0.702 3.054 ( 0.000 2.602 0.000) 2.602 3.089 ( 0.000 -1.961 0.000) 1.961 3.218 ( 0.000 -5.466 0.000) 5.466 3.307 ( 0.000 4.910 0.000) 4.910 3.342 ( 0.000 10.195 0.000) 10.195 3.388 ( 0.000 0.363 0.000) 0.363 3.389 ( 0.000 3.026 0.000) 3.026 3.435 ( 0.000 8.356 0.000) 8.356 3.458 ( 0.000 5.808 0.000) 5.808 3.478 ( 0.000 -1.304 0.000) 1.304 3.597 ( 0.000 7.603 0.000) 7.603 3.676 ( 0.000 9.822 0.000) 9.822 3.710 ( 0.000 -2.277 0.000) 2.277 3.721 ( 0.000 4.811 0.000) 4.811 3.754 ( 0.000 -3.678 0.000) 3.678 3.819 ( 0.000 -2.298 0.000) 2.298 3.957 ( 0.000 4.599 0.000) 4.599 3.982 ( 0.000 10.127 0.000) 10.127 4.051 ( 0.000 3.541 0.000) 3.541 4.130 ( 0.000 11.570 0.000) 11.570 4.237 ( 0.000 5.530 0.000) 5.530 4.291 ( 0.000 -0.733 0.000) 0.733 4.371 ( 0.000 -2.073 0.000) 2.073 4.529 ( 0.000 -2.239 0.000) 2.239 4.604 ( 0.000 -4.249 0.000) 4.249 4.719 ( 0.000 -1.807 0.000) 1.807 4.986 ( 0.000 0.450 0.000) 0.450 5.545 ( 0.000 -5.564 0.000) 5.564 5.716 ( 0.000 -12.123 0.000) 12.123 5.723 ( 0.000 -11.001 0.000) 11.001 5.837 ( 0.000 -8.335 0.000) 8.335 6.096 ( 0.000 6.380 0.000) 6.380 6.242 ( 0.000 13.328 0.000) 13.328 6.262 ( 0.000 11.457 0.000) 11.457 6.368 ( 0.000 2.762 0.000) 2.762 6.416 ( 0.000 6.667 0.000) 6.667 6.568 ( 0.000 -2.937 0.000) 2.937 6.582 ( 0.000 -4.476 0.000) 4.476 6.589 ( 0.000 -5.277 0.000) 5.277 6.601 ( 0.000 3.959 0.000) 3.959 6.719 ( 0.000 3.970 0.000) 3.970 7.020 ( 0.000 1.703 0.000) 1.703 7.086 ( 0.000 0.027 0.000) 0.027 7.411 ( 0.000 -0.908 0.000) 0.908 7.618 ( 0.000 -5.412 0.000) 5.412 7.632 ( 0.000 -2.144 0.000) 2.144 8.039 ( 0.000 -2.018 0.000) 2.018 8.064 ( 0.000 -8.283 0.000) 8.283 8.238 ( 0.000 -2.180 0.000) 2.180 8.359 ( 0.000 -6.400 0.000) 6.400 8.412 ( 0.000 -6.969 0.000) 6.969 8.566 ( 0.000 -0.799 0.000) 0.799 8.578 ( 0.000 3.004 0.000) 3.004 8.584 ( 0.000 4.249 0.000) 4.249 8.886 ( 0.000 -2.616 0.000) 2.616 8.927 ( 0.000 -1.528 0.000) 1.528 8.959 ( 0.000 -1.437 0.000) 1.437 9.130 ( 0.000 -1.380 0.000) 1.380 9.153 ( 0.000 8.581 0.000) 8.581 9.180 ( 0.000 -2.845 0.000) 2.845 9.205 ( 0.000 -2.745 0.000) 2.745 9.314 ( 0.000 -1.476 0.000) 1.476 9.429 ( 0.000 -9.555 0.000) 9.555 9.494 ( 0.000 6.725 0.000) 6.725 9.531 ( 0.000 -5.300 0.000) 5.300 9.588 ( 0.000 -6.883 0.000) 6.883 9.757 ( 0.000 4.434 0.000) 4.434 9.830 ( 0.000 -2.813 0.000) 2.813 9.848 ( 0.000 8.517 0.000) 8.517 9.862 ( 0.000 7.655 0.000) 7.655 9.908 ( 0.000 -3.084 0.000) 3.084 9.979 ( 0.000 4.424 0.000) 4.424 9.992 ( 0.000 5.133 0.000) 5.133 10.011 ( 0.000 0.513 0.000) 0.513 10.244 ( 0.000 6.900 0.000) 6.900 10.700 ( 0.000 -1.147 0.000) 1.147 10.715 ( 0.000 1.141 0.000) 1.141 10.741 ( 0.000 -1.231 0.000) 1.231 10.784 ( 0.000 3.582 0.000) 3.582 10.940 ( 0.000 -1.331 0.000) 1.331 10.947 ( 0.000 2.682 0.000) 2.682 11.169 ( 0.000 3.827 0.000) 3.827 11.175 ( 0.000 3.677 0.000) 3.677 11.311 ( 0.000 -0.020 0.000) 0.020 11.437 ( 0.000 -1.270 0.000) 1.270 11.532 ( 0.000 -0.761 0.000) 0.761 11.553 ( 0.000 -2.644 0.000) 2.644 11.804 ( 0.000 5.387 0.000) 5.387 11.824 ( 0.000 3.747 0.000) 3.747 12.140 ( 0.000 -6.057 0.000) 6.057 12.392 ( 0.000 7.283 0.000) 7.283 12.461 ( 0.000 4.586 0.000) 4.586 12.703 ( 0.000 -4.273 0.000) 4.273 12.969 ( 0.000 10.502 0.000) 10.502 12.979 ( 0.000 -12.513 0.000) 12.513 13.100 ( 0.000 12.796 0.000) 12.796 13.594 ( 0.000 -6.572 0.000) 6.572 13.658 ( 0.000 4.670 0.000) 4.670 13.838 ( 0.000 -10.454 0.000) 10.454 14.153 ( 0.000 8.740 0.000) 8.740 14.314 ( 0.000 -6.439 0.000) 6.439 15.427 ( 0.000 -8.804 0.000) 8.804 15.462 ( 0.000 -2.521 0.000) 2.521 15.523 ( 0.000 -6.642 0.000) 6.642 15.650 ( 0.000 -3.728 0.000) 3.728 15.655 ( 0.000 -2.041 0.000) 2.041 15.836 ( 0.000 1.142 0.000) 1.142 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 15.312 12.824 0.000) 19.973 0.641 ( 11.477 19.154 0.000) 22.330 1.058 ( 19.190 29.227 0.000) 34.964 1.506 ( -5.461 5.241 0.000) 7.569 1.661 ( 4.013 2.467 0.000) 4.711 1.684 ( -10.343 9.537 0.000) 14.069 1.709 ( 1.948 -1.299 0.000) 2.341 1.757 ( 0.629 5.113 0.000) 5.151 1.814 ( 1.350 6.633 0.000) 6.769 1.901 ( -0.083 5.056 0.000) 5.057 1.987 ( -4.762 0.308 0.000) 4.772 2.022 ( 6.931 15.496 0.000) 16.976 2.108 ( 0.553 -0.876 0.000) 1.036 2.146 ( 2.133 3.778 0.000) 4.339 2.286 ( -4.478 0.703 0.000) 4.533 2.311 ( -3.442 -0.387 0.000) 3.463 2.321 ( -0.940 -0.782 0.000) 1.223 2.379 ( -3.647 2.295 0.000) 4.309 2.442 ( -5.482 5.818 0.000) 7.994 2.536 ( 1.811 -1.221 0.000) 2.184 2.586 ( 0.892 2.117 0.000) 2.297 2.670 ( -0.200 2.257 0.000) 2.266 2.708 ( 4.306 -3.317 0.000) 5.436 2.715 ( -0.432 5.568 0.000) 5.585 2.815 ( -4.905 0.453 0.000) 4.926 3.018 ( -3.061 2.295 0.000) 3.826 3.167 ( 0.796 -6.762 0.000) 6.809 3.195 ( -6.622 1.002 0.000) 6.698 3.260 ( 2.849 -3.447 0.000) 4.471 3.287 ( -2.638 11.880 0.000) 12.169 3.326 ( -1.210 4.134 0.000) 4.307 3.443 ( -2.622 8.392 0.000) 8.792 3.473 ( 1.519 0.622 0.000) 1.642 3.501 ( 5.965 5.813 0.000) 8.329 3.538 ( -0.177 4.843 0.000) 4.846 3.540 ( 3.533 0.746 0.000) 3.610 3.705 ( 1.509 3.996 0.000) 4.272 3.734 ( 0.986 6.340 0.000) 6.417 3.764 ( 2.205 2.114 0.000) 3.054 3.769 ( 0.826 -2.618 0.000) 2.745 3.831 ( 0.687 0.200 0.000) 0.715 3.938 ( 0.326 3.686 0.000) 3.700 3.994 ( 2.214 6.383 0.000) 6.756 4.063 ( 1.225 4.930 0.000) 5.080 4.113 ( -0.647 12.847 0.000) 12.864 4.222 ( -1.215 4.214 0.000) 4.386 4.282 ( -6.811 1.317 0.000) 6.938 4.300 ( -0.478 -0.743 0.000) 0.883 4.527 ( 0.347 -3.021 0.000) 3.041 4.613 ( 0.623 -4.878 0.000) 4.918 4.723 ( 0.381 -1.421 0.000) 1.471 4.841 ( -6.798 0.644 0.000) 6.829 5.586 ( 3.591 -6.684 0.000) 7.588 5.732 ( 0.421 -11.403 0.000) 11.411 5.740 ( 2.114 -10.979 0.000) 11.181 5.830 ( -0.259 -7.520 0.000) 7.524 6.095 ( 0.116 7.026 0.000) 7.027 6.204 ( -3.120 12.241 0.000) 12.632 6.243 ( 0.179 12.944 0.000) 12.945 6.355 ( -2.383 9.992 0.000) 10.273 6.428 ( 1.392 -0.634 0.000) 1.529 6.554 ( -2.156 -4.295 0.000) 4.806 6.572 ( 0.248 -3.370 0.000) 3.379 6.589 ( -0.343 -5.030 0.000) 5.042 6.626 ( 1.968 4.108 0.000) 4.555 6.714 ( -0.424 4.016 0.000) 4.039 7.027 ( 0.602 1.576 0.000) 1.687 7.078 ( -0.582 0.364 0.000) 0.686 7.557 ( 3.642 -8.371 0.000) 9.129 7.600 ( -1.447 -5.197 0.000) 5.394 7.673 ( 4.658 -3.580 0.000) 5.875 8.058 ( -1.529 -8.509 0.000) 8.646 8.127 ( 5.531 -8.005 0.000) 9.730 8.260 ( 1.319 -3.128 0.000) 3.395 8.294 ( -5.884 -3.167 0.000) 6.682 8.355 ( -1.797 -7.114 0.000) 7.337 8.562 ( -0.351 0.196 0.000) 0.402 8.566 ( -0.290 3.344 0.000) 3.356 8.656 ( 3.171 4.333 0.000) 5.369 8.897 ( -7.123 10.112 0.000) 12.369 8.917 ( 2.982 -3.257 0.000) 4.416 8.936 ( 1.618 -2.248 0.000) 2.770 9.019 ( -0.785 -7.429 0.000) 7.470 9.219 ( 1.420 -3.668 0.000) 3.933 9.234 ( 5.385 5.653 0.000) 7.807 9.272 ( -0.743 -2.736 0.000) 2.835 9.299 ( -0.731 -1.060 0.000) 1.288 9.364 ( -2.326 -3.815 0.000) 4.469 9.469 ( -1.447 4.755 0.000) 4.970 9.569 ( -2.529 -3.608 0.000) 4.406 9.587 ( 4.312 -3.840 0.000) 5.774 9.733 ( -2.065 5.552 0.000) 5.924 9.825 ( 1.873 -1.111 0.000) 2.178 9.864 ( 1.311 4.402 0.000) 4.593 9.888 ( 1.845 2.832 0.000) 3.380 9.925 ( 1.403 0.621 0.000) 1.534 9.980 ( -0.011 5.627 0.000) 5.628 10.037 ( 3.771 2.086 0.000) 4.310 10.050 ( 2.770 0.513 0.000) 2.817 10.216 ( -2.300 4.992 0.000) 5.497 10.707 ( 0.658 -1.075 0.000) 1.261 10.723 ( 0.604 -0.411 0.000) 0.730 10.761 ( 1.515 -1.088 0.000) 1.865 10.814 ( 3.002 4.737 0.000) 5.608 10.902 ( -2.093 -1.260 0.000) 2.443 10.967 ( 0.125 2.906 0.000) 2.909 11.154 ( -1.087 3.264 0.000) 3.441 11.171 ( -0.731 3.779 0.000) 3.849 11.331 ( 1.813 0.105 0.000) 1.816 11.440 ( -0.034 -0.725 0.000) 0.726 11.535 ( 0.487 -1.469 0.000) 1.547 11.559 ( 0.413 -2.929 0.000) 2.958 11.838 ( 3.298 5.364 0.000) 6.297 11.872 ( 4.228 4.221 0.000) 5.974 12.159 ( 1.161 -5.368 0.000) 5.492 12.297 ( -7.103 6.043 0.000) 9.326 12.369 ( -7.476 5.249 0.000) 9.135 12.636 ( -6.706 -5.353 0.000) 8.580 13.045 ( 0.634 -15.454 0.000) 15.467 13.080 ( 8.871 10.630 0.000) 13.845 13.180 ( 6.260 10.943 0.000) 12.607 13.554 ( -1.030 -3.134 0.000) 3.299 13.653 ( -2.735 13.533 0.000) 13.806 13.655 ( -13.620 -5.010 0.000) 14.512 14.245 ( 7.312 2.847 0.000) 7.847 14.389 ( 4.514 -8.606 0.000) 9.718 15.359 ( -3.624 -9.067 0.000) 9.764 15.472 ( -12.877 2.191 0.000) 13.062 15.515 ( 2.739 -3.104 0.000) 4.139 15.566 ( 3.357 -6.145 0.000) 7.002 15.656 ( -0.924 -2.991 0.000) 3.131 15.705 ( -2.560 0.465 0.000) 2.602 ======================= Grid point 7 (6/45) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 13.679 10.905 0.000) 17.494 0.956 ( 15.602 5.839 0.000) 16.658 1.255 ( -8.243 12.123 0.000) 14.660 1.385 ( -16.308 8.175 0.000) 18.243 1.523 ( 15.227 8.884 0.000) 17.629 1.716 ( -2.901 -0.881 0.000) 3.032 1.762 ( 1.561 3.195 0.000) 3.556 1.824 ( -3.531 7.935 0.000) 8.685 1.857 ( 10.319 10.027 0.000) 14.388 1.928 ( 1.503 1.991 0.000) 2.495 1.943 ( 6.328 -0.378 0.000) 6.339 2.074 ( -5.290 0.491 0.000) 5.313 2.097 ( -3.119 3.516 0.000) 4.700 2.195 ( -3.188 -0.348 0.000) 3.207 2.210 ( 2.458 2.953 0.000) 3.842 2.252 ( -8.958 3.954 0.000) 9.792 2.306 ( 6.834 9.679 0.000) 11.849 2.322 ( 0.900 6.607 0.000) 6.668 2.383 ( -0.139 3.483 0.000) 3.486 2.532 ( -7.515 7.341 0.000) 10.506 2.542 ( 0.119 -0.043 0.000) 0.127 2.596 ( -6.706 1.865 0.000) 6.960 2.704 ( 0.002 5.580 0.000) 5.580 2.705 ( -0.196 4.231 0.000) 4.235 2.830 ( 5.220 -3.161 0.000) 6.103 2.935 ( -4.761 0.264 0.000) 4.769 3.126 ( -0.251 -3.465 0.000) 3.475 3.144 ( -1.476 -5.437 0.000) 5.634 3.229 ( -1.687 5.361 0.000) 5.620 3.240 ( -2.173 8.730 0.000) 8.997 3.372 ( 1.049 6.663 0.000) 6.745 3.376 ( -1.163 11.739 0.000) 11.797 3.534 ( 3.767 1.278 0.000) 3.978 3.555 ( 0.770 4.913 0.000) 4.973 3.566 ( -0.168 -0.023 0.000) 0.170 3.587 ( 0.387 0.937 0.000) 1.013 3.728 ( 0.815 3.062 0.000) 3.168 3.748 ( -0.482 6.282 0.000) 6.300 3.789 ( 1.730 2.287 0.000) 2.868 3.812 ( 1.202 -0.873 0.000) 1.486 3.848 ( 3.793 -0.797 0.000) 3.876 3.952 ( -2.224 -0.792 0.000) 2.361 4.090 ( 3.481 2.711 0.000) 4.412 4.093 ( 1.262 7.897 0.000) 7.997 4.110 ( 3.306 6.930 0.000) 7.678 4.165 ( -2.612 5.984 0.000) 6.529 4.181 ( -2.620 4.500 0.000) 5.207 4.237 ( -5.431 -0.791 0.000) 5.488 4.561 ( 2.725 -5.586 0.000) 6.215 4.611 ( -1.365 -6.512 0.000) 6.654 4.732 ( 0.438 -0.883 0.000) 0.986 4.753 ( -2.200 -1.085 0.000) 2.453 5.670 ( 3.930 -9.578 0.000) 10.353 5.726 ( -1.332 -11.585 0.000) 11.661 5.789 ( 2.227 -8.498 0.000) 8.785 5.821 ( -0.881 -7.244 0.000) 7.298 6.108 ( 1.304 8.577 0.000) 8.676 6.147 ( -2.357 10.319 0.000) 10.585 6.253 ( 1.006 12.646 0.000) 12.686 6.293 ( -2.896 12.609 0.000) 12.938 6.465 ( 1.962 -2.801 0.000) 3.420 6.506 ( -2.189 -3.633 0.000) 4.241 6.574 ( -0.038 -4.249 0.000) 4.249 6.578 ( -0.508 -4.746 0.000) 4.773 6.668 ( 1.923 4.300 0.000) 4.711 6.700 ( -1.076 4.174 0.000) 4.311 7.043 ( 0.925 1.226 0.000) 1.536 7.063 ( -0.905 0.764 0.000) 1.184 7.572 ( -0.319 -5.488 0.000) 5.498 7.574 ( -0.755 -4.961 0.000) 5.018 7.800 ( 7.307 -4.876 0.000) 8.784 7.960 ( -7.448 -6.490 0.000) 9.878 8.221 ( 3.646 -7.419 0.000) 8.266 8.238 ( 0.133 -3.001 0.000) 3.004 8.265 ( -0.448 -5.067 0.000) 5.087 8.305 ( -3.068 -8.185 0.000) 8.741 8.556 ( -0.095 1.746 0.000) 1.749 8.559 ( -0.337 2.734 0.000) 2.755 8.706 ( 2.331 8.357 0.000) 8.676 8.772 ( -4.429 10.730 0.000) 11.608 8.987 ( 2.723 -5.671 0.000) 6.291 9.008 ( 5.558 -3.313 0.000) 6.471 9.019 ( -0.334 -6.955 0.000) 6.963 9.138 ( -6.683 -4.593 0.000) 8.109 9.273 ( 0.207 -0.483 0.000) 0.525 9.277 ( 0.504 -2.142 0.000) 2.201 9.334 ( 2.035 2.936 0.000) 3.572 9.351 ( -0.248 2.470 0.000) 2.482 9.456 ( 0.648 3.286 0.000) 3.350 9.500 ( -3.353 0.554 0.000) 3.398 9.671 ( 2.991 -3.356 0.000) 4.496 9.706 ( -0.917 -0.373 0.000) 0.990 9.871 ( 2.224 3.472 0.000) 4.124 9.893 ( 1.043 3.422 0.000) 3.578 9.914 ( 0.407 0.059 0.000) 0.411 9.921 ( -1.272 0.963 0.000) 1.595 10.033 ( 4.096 4.830 0.000) 6.334 10.086 ( -0.087 2.376 0.000) 2.378 10.111 ( 2.881 0.980 0.000) 3.043 10.165 ( -2.479 2.204 0.000) 3.317 10.725 ( 0.858 -0.830 0.000) 1.194 10.734 ( 0.140 -0.784 0.000) 0.797 10.804 ( 2.705 -2.252 0.000) 3.520 10.858 ( -2.257 -2.450 0.000) 3.332 10.882 ( 3.126 5.089 0.000) 5.973 10.941 ( -2.463 4.320 0.000) 4.972 11.141 ( -0.004 3.005 0.000) 3.005 11.151 ( -0.885 3.482 0.000) 3.593 11.377 ( 2.475 0.291 0.000) 2.492 11.423 ( -1.696 0.111 0.000) 1.700 11.554 ( 1.048 -2.856 0.000) 3.042 11.565 ( 0.043 -3.266 0.000) 3.266 11.937 ( 6.271 5.264 0.000) 8.188 11.993 ( 7.310 4.732 0.000) 8.708 12.087 ( -7.615 4.367 0.000) 8.778 12.161 ( -8.344 3.758 0.000) 9.151 12.299 ( 4.141 -2.579 0.000) 4.879 12.451 ( -9.555 -5.561 0.000) 11.055 13.065 ( 3.662 -9.575 0.000) 10.252 13.188 ( -4.374 -4.505 0.000) 6.280 13.317 ( 8.818 12.129 0.000) 14.995 13.474 ( 0.411 12.414 0.000) 12.421 13.490 ( -6.388 8.719 0.000) 10.809 13.562 ( -5.241 16.006 0.000) 16.842 14.386 ( 5.263 -5.261 0.000) 7.442 14.440 ( 0.060 -8.906 0.000) 8.907 15.302 ( -1.606 -10.413 0.000) 10.536 15.312 ( -3.204 -7.582 0.000) 8.232 15.572 ( 2.774 -3.347 0.000) 4.347 15.624 ( -2.124 -3.237 0.000) 3.872 15.630 ( 2.637 -4.315 0.000) 5.057 15.672 ( -1.512 -2.417 0.000) 2.851 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.000 21.128 0.000) 21.128 1.006 ( 0.000 24.624 0.000) 24.624 1.525 ( 0.000 27.420 0.000) 27.420 1.637 ( 0.000 7.656 0.000) 7.656 1.680 ( 0.000 1.643 0.000) 1.643 1.819 ( 0.000 10.082 0.000) 10.082 1.840 ( 0.000 6.905 0.000) 6.905 1.892 ( 0.000 -0.034 0.000) 0.034 1.967 ( 0.000 -3.800 0.000) 3.800 1.995 ( 0.000 2.873 0.000) 2.873 2.061 ( 0.000 -0.194 0.000) 0.194 2.084 ( 0.000 2.404 0.000) 2.404 2.139 ( 0.000 12.448 0.000) 12.448 2.275 ( 0.000 -5.237 0.000) 5.237 2.332 ( 0.000 8.824 0.000) 8.824 2.343 ( 0.000 3.953 0.000) 3.953 2.372 ( 0.000 -1.103 0.000) 1.103 2.457 ( 0.000 6.554 0.000) 6.554 2.502 ( 0.000 -5.788 0.000) 5.788 2.507 ( 0.000 -2.988 0.000) 2.988 2.603 ( 0.000 12.068 0.000) 12.068 2.639 ( 0.000 1.057 0.000) 1.057 2.777 ( 0.000 4.234 0.000) 4.234 2.853 ( 0.000 12.147 0.000) 12.147 2.933 ( 0.000 5.381 0.000) 5.381 3.057 ( 0.000 -0.542 0.000) 0.542 3.062 ( 0.000 -6.784 0.000) 6.784 3.153 ( 0.000 3.818 0.000) 3.818 3.373 ( 0.000 3.640 0.000) 3.640 3.377 ( 0.000 -3.804 0.000) 3.804 3.412 ( 0.000 1.158 0.000) 1.158 3.511 ( 0.000 4.717 0.000) 4.717 3.577 ( 0.000 -0.925 0.000) 0.925 3.603 ( 0.000 7.966 0.000) 7.966 3.613 ( 0.000 2.135 0.000) 2.135 3.629 ( 0.000 15.429 0.000) 15.429 3.665 ( 0.000 -1.591 0.000) 1.591 3.795 ( 0.000 3.183 0.000) 3.183 3.866 ( 0.000 8.040 0.000) 8.040 3.870 ( 0.000 10.977 0.000) 10.977 3.888 ( 0.000 8.962 0.000) 8.962 4.067 ( 0.000 5.703 0.000) 5.703 4.151 ( 0.000 7.227 0.000) 7.227 4.234 ( 0.000 14.467 0.000) 14.467 4.277 ( 0.000 -0.533 0.000) 0.533 4.319 ( 0.000 -0.423 0.000) 0.423 4.340 ( 0.000 3.545 0.000) 3.545 4.439 ( 0.000 16.645 0.000) 16.645 4.499 ( 0.000 -5.952 0.000) 5.952 4.518 ( 0.000 2.944 0.000) 2.944 4.691 ( 0.000 -0.136 0.000) 0.136 4.985 ( 0.000 -0.722 0.000) 0.722 5.419 ( 0.000 -6.686 0.000) 6.686 5.489 ( 0.000 -10.677 0.000) 10.677 5.511 ( 0.000 -9.610 0.000) 9.610 5.675 ( 0.000 -7.896 0.000) 7.896 6.247 ( 0.000 8.381 0.000) 8.381 6.310 ( 0.000 -4.528 0.000) 4.528 6.435 ( 0.000 -5.238 0.000) 5.238 6.465 ( 0.000 -7.047 0.000) 7.047 6.484 ( 0.000 -4.160 0.000) 4.160 6.506 ( 0.000 11.358 0.000) 11.358 6.508 ( 0.000 8.494 0.000) 8.494 6.624 ( 0.000 8.719 0.000) 8.719 6.727 ( 0.000 9.251 0.000) 9.251 6.820 ( 0.000 6.009 0.000) 6.009 7.055 ( 0.000 1.560 0.000) 1.560 7.083 ( 0.000 -0.372 0.000) 0.372 7.392 ( 0.000 -0.772 0.000) 0.772 7.494 ( 0.000 -6.273 0.000) 6.273 7.574 ( 0.000 -3.588 0.000) 3.588 7.866 ( 0.000 -11.109 0.000) 11.109 7.993 ( 0.000 -2.326 0.000) 2.326 8.175 ( 0.000 -4.052 0.000) 4.052 8.222 ( 0.000 -7.013 0.000) 7.013 8.264 ( 0.000 -7.213 0.000) 7.213 8.511 ( 0.000 -5.249 0.000) 5.249 8.590 ( 0.000 -2.087 0.000) 2.087 8.620 ( 0.000 -1.247 0.000) 1.247 8.855 ( 0.000 -8.849 0.000) 8.849 8.882 ( 0.000 2.326 0.000) 2.326 8.922 ( 0.000 1.368 0.000) 1.368 9.112 ( 0.000 -2.181 0.000) 2.181 9.114 ( 0.000 -2.715 0.000) 2.715 9.161 ( 0.000 0.196 0.000) 0.196 9.268 ( 0.000 -6.468 0.000) 6.468 9.283 ( 0.000 -1.490 0.000) 1.490 9.308 ( 0.000 5.541 0.000) 5.541 9.435 ( 0.000 -3.695 0.000) 3.695 9.467 ( 0.000 -4.906 0.000) 4.906 9.588 ( 0.000 0.091 0.000) 0.091 9.676 ( 0.000 -7.477 0.000) 7.477 9.900 ( 0.000 5.925 0.000) 5.925 9.913 ( 0.000 5.991 0.000) 5.991 9.995 ( 0.000 5.527 0.000) 5.527 10.016 ( 0.000 6.130 0.000) 6.130 10.093 ( 0.000 8.576 0.000) 8.576 10.098 ( 0.000 8.526 0.000) 8.526 10.120 ( 0.000 7.163 0.000) 7.163 10.436 ( 0.000 11.117 0.000) 11.117 10.678 ( 0.000 -0.950 0.000) 0.950 10.714 ( 0.000 -1.083 0.000) 1.083 10.752 ( 0.000 2.371 0.000) 2.371 10.885 ( 0.000 6.836 0.000) 6.836 10.911 ( 0.000 -1.444 0.000) 1.444 11.013 ( 0.000 3.757 0.000) 3.757 11.265 ( 0.000 5.507 0.000) 5.507 11.267 ( 0.000 5.181 0.000) 5.181 11.319 ( 0.000 0.854 0.000) 0.854 11.410 ( 0.000 -1.242 0.000) 1.242 11.482 ( 0.000 -4.295 0.000) 4.295 11.506 ( 0.000 -2.026 0.000) 2.026 11.935 ( 0.000 7.315 0.000) 7.315 11.946 ( 0.000 8.574 0.000) 8.574 12.000 ( 0.000 -7.426 0.000) 7.426 12.586 ( 0.000 -7.235 0.000) 7.235 12.587 ( 0.000 7.495 0.000) 7.495 12.592 ( 0.000 12.856 0.000) 12.856 12.732 ( 0.000 -12.253 0.000) 12.253 13.152 ( 0.000 2.530 0.000) 2.530 13.406 ( 0.000 -12.103 0.000) 12.103 13.415 ( 0.000 17.478 0.000) 17.478 13.537 ( 0.000 -13.722 0.000) 13.722 13.617 ( 0.000 -6.787 0.000) 6.787 14.131 ( 0.000 -11.581 0.000) 11.581 14.503 ( 0.000 22.549 0.000) 22.549 15.109 ( 0.000 -20.939 0.000) 20.939 15.396 ( 0.000 -3.794 0.000) 3.794 15.422 ( 0.000 -4.558 0.000) 4.558 15.571 ( 0.000 -3.853 0.000) 3.853 15.603 ( 0.000 -3.019 0.000) 3.019 15.837 ( 0.000 -1.354 0.000) 1.354 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 6.814 17.460 0.000) 18.742 1.065 ( 5.424 22.369 0.000) 23.017 1.599 ( 4.410 16.322 0.000) 16.907 1.682 ( -0.799 -1.222 0.000) 1.460 1.682 ( -3.538 15.269 0.000) 15.673 1.763 ( 6.117 7.328 0.000) 9.545 1.791 ( -10.770 0.963 0.000) 10.812 1.846 ( -0.072 7.003 0.000) 7.003 1.904 ( 0.308 0.850 0.000) 0.904 2.027 ( 0.777 1.784 0.000) 1.946 2.056 ( -1.022 7.087 0.000) 7.161 2.112 ( 2.929 0.136 0.000) 2.932 2.213 ( 4.566 6.967 0.000) 8.330 2.238 ( -4.830 -0.659 0.000) 4.875 2.280 ( -5.196 2.414 0.000) 5.730 2.348 ( 0.988 -0.671 0.000) 1.195 2.387 ( 3.358 5.277 0.000) 6.255 2.462 ( 0.737 9.211 0.000) 9.241 2.475 ( -2.542 -0.848 0.000) 2.680 2.534 ( 3.546 3.138 0.000) 4.735 2.656 ( 4.246 1.906 0.000) 4.654 2.688 ( 3.093 4.574 0.000) 5.521 2.803 ( -3.703 9.577 0.000) 10.268 2.827 ( 2.369 4.504 0.000) 5.089 2.895 ( -3.754 7.407 0.000) 8.304 3.010 ( -1.590 -8.204 0.000) 8.357 3.098 ( -3.683 4.842 0.000) 6.083 3.166 ( 5.711 -4.116 0.000) 7.040 3.261 ( -8.086 5.406 0.000) 9.727 3.357 ( -0.913 -3.124 0.000) 3.255 3.450 ( -0.314 -0.301 0.000) 0.435 3.518 ( 1.222 4.604 0.000) 4.763 3.527 ( -3.403 0.765 0.000) 3.488 3.615 ( 1.153 7.256 0.000) 7.348 3.628 ( 1.704 3.097 0.000) 3.535 3.674 ( 1.683 9.296 0.000) 9.447 3.759 ( 7.440 -1.536 0.000) 7.597 3.765 ( 1.459 9.066 0.000) 9.183 3.860 ( -1.124 11.180 0.000) 11.236 3.897 ( 2.393 8.272 0.000) 8.611 3.915 ( 0.821 5.884 0.000) 5.941 4.030 ( -3.219 4.673 0.000) 5.674 4.178 ( -4.749 10.379 0.000) 11.413 4.195 ( 2.980 6.612 0.000) 7.252 4.228 ( -2.674 -0.727 0.000) 2.771 4.309 ( -0.880 5.680 0.000) 5.748 4.362 ( 0.700 4.341 0.000) 4.397 4.430 ( -1.057 16.033 0.000) 16.068 4.493 ( -1.872 1.793 0.000) 2.593 4.500 ( -0.348 -5.861 0.000) 5.871 4.702 ( 0.811 -0.050 0.000) 0.812 4.866 ( -8.101 1.226 0.000) 8.194 5.433 ( 1.478 -8.142 0.000) 8.275 5.515 ( 0.128 -9.823 0.000) 9.824 5.539 ( 4.184 -9.309 0.000) 10.207 5.679 ( 0.256 -7.656 0.000) 7.661 6.258 ( 1.109 8.863 0.000) 8.932 6.325 ( 1.145 -4.802 0.000) 4.936 6.413 ( -1.655 -4.691 0.000) 4.975 6.450 ( -3.663 10.696 0.000) 11.306 6.458 ( -0.752 -6.722 0.000) 6.764 6.479 ( -1.057 -4.559 0.000) 4.680 6.517 ( 0.664 8.129 0.000) 8.156 6.617 ( -1.474 10.714 0.000) 10.815 6.742 ( 1.604 7.706 0.000) 7.871 6.817 ( -0.279 6.073 0.000) 6.080 7.057 ( 0.224 1.269 0.000) 1.288 7.080 ( -0.270 -0.291 0.000) 0.397 7.436 ( 2.460 -3.746 0.000) 4.481 7.484 ( -0.854 -5.773 0.000) 5.836 7.602 ( 2.933 -3.925 0.000) 4.899 7.859 ( -1.014 -10.880 0.000) 10.927 8.026 ( 2.848 -3.377 0.000) 4.417 8.186 ( 0.437 -4.342 0.000) 4.364 8.207 ( -1.523 -7.028 0.000) 7.191 8.216 ( -3.394 -4.667 0.000) 5.771 8.525 ( 1.318 -4.612 0.000) 4.797 8.584 ( -0.277 -2.299 0.000) 2.316 8.680 ( 4.447 -2.366 0.000) 5.037 8.855 ( -0.193 -8.836 0.000) 8.838 8.883 ( 0.155 0.886 0.000) 0.899 8.931 ( 1.121 1.801 0.000) 2.121 9.024 ( -4.789 3.242 0.000) 5.783 9.100 ( -2.531 -6.255 0.000) 6.747 9.188 ( 1.659 -3.207 0.000) 3.610 9.267 ( -1.039 -1.106 0.000) 1.517 9.316 ( 3.440 -2.036 0.000) 3.997 9.343 ( 2.522 3.072 0.000) 3.975 9.459 ( 1.365 -2.966 0.000) 3.265 9.481 ( 0.527 -4.348 0.000) 4.380 9.604 ( 1.965 0.513 0.000) 2.031 9.698 ( 1.873 -8.264 0.000) 8.474 9.874 ( -2.058 7.129 0.000) 7.420 9.877 ( -1.831 3.669 0.000) 4.101 9.996 ( -1.145 5.855 0.000) 5.966 10.011 ( 0.688 4.957 0.000) 5.004 10.125 ( 0.792 7.419 0.000) 7.461 10.144 ( 3.623 8.204 0.000) 8.969 10.157 ( 4.791 10.241 0.000) 11.306 10.389 ( -3.864 10.840 0.000) 11.508 10.684 ( 0.577 -1.117 0.000) 1.258 10.706 ( -0.353 -1.264 0.000) 1.312 10.764 ( 0.686 1.335 0.000) 1.501 10.876 ( -2.603 -1.045 0.000) 2.805 10.932 ( 3.722 7.194 0.000) 8.100 11.038 ( 1.526 3.900 0.000) 4.188 11.235 ( -2.200 4.517 0.000) 5.024 11.262 ( -0.811 4.886 0.000) 4.953 11.342 ( 2.028 1.188 0.000) 2.350 11.427 ( 1.049 -0.468 0.000) 1.149 11.482 ( 0.047 -4.624 0.000) 4.624 11.497 ( -0.762 -2.432 0.000) 2.549 11.980 ( 3.401 8.594 0.000) 9.242 11.989 ( 4.783 7.548 0.000) 8.936 12.026 ( 2.439 -7.291 0.000) 7.688 12.470 ( -9.351 11.019 0.000) 14.452 12.495 ( -7.906 -8.287 0.000) 11.454 12.509 ( -6.951 8.404 0.000) 10.906 12.774 ( 2.957 -12.508 0.000) 12.852 13.177 ( -2.918 -6.346 0.000) 6.985 13.397 ( 3.684 -11.459 0.000) 12.037 13.428 ( 3.776 13.179 0.000) 13.710 13.670 ( 5.522 9.970 0.000) 11.397 13.709 ( 10.418 -9.519 0.000) 14.112 14.159 ( 2.384 -13.455 0.000) 13.664 14.450 ( -4.887 18.838 0.000) 19.461 15.063 ( -3.300 -19.439 0.000) 19.717 15.435 ( 2.503 -4.544 0.000) 5.187 15.455 ( 3.433 -4.941 0.000) 6.017 15.475 ( -11.350 -1.151 0.000) 11.408 15.588 ( -1.451 -3.637 0.000) 3.916 15.703 ( -7.443 -1.118 0.000) 7.526 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 10.701 10.227 0.000) 14.802 1.197 ( 5.251 15.943 0.000) 16.785 1.505 ( -8.102 13.015 0.000) 15.331 1.507 ( -10.763 5.250 0.000) 11.975 1.679 ( 1.665 4.416 0.000) 4.719 1.698 ( -0.708 -0.569 0.000) 0.908 1.871 ( 3.206 3.193 0.000) 4.525 1.947 ( -0.095 -1.335 0.000) 1.338 1.998 ( 0.413 3.315 0.000) 3.341 2.002 ( 8.712 9.670 0.000) 13.016 2.089 ( 6.515 10.091 0.000) 12.012 2.101 ( -2.595 7.117 0.000) 7.576 2.135 ( -7.442 1.000 0.000) 7.508 2.202 ( -0.563 2.460 0.000) 2.524 2.276 ( 2.102 5.924 0.000) 6.286 2.357 ( -3.786 2.931 0.000) 4.788 2.434 ( 1.063 2.143 0.000) 2.392 2.442 ( 1.623 2.712 0.000) 3.161 2.535 ( 3.601 2.878 0.000) 4.610 2.620 ( 6.327 14.725 0.000) 16.027 2.639 ( -6.759 5.477 0.000) 8.700 2.727 ( -1.282 8.530 0.000) 8.626 2.806 ( 5.512 0.426 0.000) 5.528 2.822 ( -1.573 7.762 0.000) 7.919 2.837 ( -1.242 6.462 0.000) 6.580 2.935 ( -6.001 -4.043 0.000) 7.235 3.042 ( -0.111 -0.676 0.000) 0.685 3.101 ( -5.950 2.625 0.000) 6.503 3.288 ( 4.180 -0.266 0.000) 4.189 3.375 ( -5.080 2.896 0.000) 5.848 3.386 ( 4.465 -6.507 0.000) 7.892 3.472 ( -2.763 -7.722 0.000) 8.201 3.554 ( 1.877 6.112 0.000) 6.394 3.597 ( -2.430 8.950 0.000) 9.274 3.661 ( 3.670 6.805 0.000) 7.732 3.750 ( -1.797 4.598 0.000) 4.937 3.804 ( 3.628 9.482 0.000) 10.153 3.865 ( 4.517 9.057 0.000) 10.121 3.896 ( -0.012 5.728 0.000) 5.728 3.921 ( 2.215 7.448 0.000) 7.771 3.940 ( 1.444 8.616 0.000) 8.736 3.961 ( -3.070 1.822 0.000) 3.570 4.081 ( -2.372 4.544 0.000) 5.126 4.136 ( -4.847 -4.739 0.000) 6.779 4.290 ( 4.290 9.226 0.000) 10.175 4.306 ( 1.009 9.080 0.000) 9.136 4.347 ( -1.906 7.778 0.000) 8.008 4.379 ( -3.765 12.827 0.000) 13.368 4.471 ( 0.090 -0.987 0.000) 0.991 4.484 ( -0.850 -3.988 0.000) 4.078 4.718 ( 0.801 -0.145 0.000) 0.814 4.751 ( -2.976 0.672 0.000) 3.051 5.473 ( 2.117 -9.527 0.000) 9.760 5.507 ( -1.009 -10.000 0.000) 10.050 5.628 ( 3.726 -8.021 0.000) 8.844 5.676 ( -0.909 -7.511 0.000) 7.566 6.296 ( 2.608 9.760 0.000) 10.103 6.345 ( 0.024 -1.291 0.000) 1.291 6.374 ( -2.644 7.403 0.000) 7.861 6.380 ( -1.318 -4.708 0.000) 4.889 6.445 ( -0.162 -6.351 0.000) 6.353 6.455 ( -1.033 -6.575 0.000) 6.655 6.534 ( 1.130 9.221 0.000) 9.290 6.571 ( -2.410 10.945 0.000) 11.207 6.780 ( 1.713 6.706 0.000) 6.922 6.806 ( -0.823 6.278 0.000) 6.331 7.064 ( 0.383 0.622 0.000) 0.731 7.072 ( -0.430 0.037 0.000) 0.431 7.461 ( 0.360 -4.748 0.000) 4.761 7.468 ( -0.517 -4.990 0.000) 5.016 7.693 ( 5.532 -5.700 0.000) 7.943 7.804 ( -4.485 -8.702 0.000) 9.790 8.093 ( 3.381 -4.921 0.000) 5.970 8.156 ( -2.551 -5.963 0.000) 6.486 8.174 ( -0.921 -3.922 0.000) 4.028 8.180 ( -0.820 -4.353 0.000) 4.429 8.554 ( 1.270 -3.097 0.000) 3.347 8.574 ( -0.697 -2.346 0.000) 2.447 8.772 ( 4.055 -3.292 0.000) 5.223 8.836 ( -1.994 -6.451 0.000) 6.752 8.900 ( 1.655 -0.795 0.000) 1.836 8.947 ( -2.838 2.461 0.000) 3.757 8.967 ( 2.251 0.087 0.000) 2.253 9.026 ( -3.596 -4.819 0.000) 6.013 9.230 ( 1.642 -1.929 0.000) 2.533 9.250 ( -0.638 -1.127 0.000) 1.295 9.372 ( 1.885 -0.614 0.000) 1.982 9.383 ( 0.991 0.757 0.000) 1.247 9.466 ( -0.216 -1.593 0.000) 1.607 9.474 ( -0.867 -2.069 0.000) 2.243 9.666 ( 3.310 -0.975 0.000) 3.451 9.717 ( -1.021 -5.398 0.000) 5.494 9.849 ( 0.115 3.595 0.000) 3.597 9.857 ( -0.375 0.689 0.000) 0.785 9.988 ( 0.413 5.510 0.000) 5.525 10.007 ( -1.000 5.270 0.000) 5.364 10.169 ( 3.240 8.457 0.000) 9.056 10.204 ( 1.115 8.684 0.000) 8.755 10.244 ( 3.129 10.442 0.000) 10.901 10.305 ( -3.753 10.090 0.000) 10.766 10.699 ( 0.741 -1.586 0.000) 1.750 10.706 ( 0.133 -1.893 0.000) 1.897 10.782 ( 1.287 0.193 0.000) 1.301 10.821 ( -2.480 -0.851 0.000) 2.622 11.004 ( 2.898 6.962 0.000) 7.541 11.046 ( -1.014 5.819 0.000) 5.907 11.209 ( 0.104 3.397 0.000) 3.399 11.232 ( -1.740 4.148 0.000) 4.498 11.391 ( 2.450 1.222 0.000) 2.738 11.430 ( -1.022 0.781 0.000) 1.286 11.484 ( 0.144 -4.593 0.000) 4.595 11.486 ( -0.107 -3.836 0.000) 3.837 12.074 ( 5.142 7.505 0.000) 9.097 12.092 ( 3.368 -5.400 0.000) 6.364 12.117 ( 7.002 7.486 0.000) 10.250 12.273 ( -8.888 9.008 0.000) 12.654 12.323 ( -6.473 -5.949 0.000) 8.792 12.347 ( -7.447 7.342 0.000) 10.458 12.856 ( 5.600 -11.341 0.000) 12.648 13.016 ( -9.503 -11.182 0.000) 14.675 13.514 ( 5.127 -5.975 0.000) 7.873 13.537 ( 3.433 6.688 0.000) 7.517 13.806 ( 6.159 16.930 0.000) 18.016 13.857 ( 2.534 4.810 0.000) 5.436 14.225 ( 4.045 -9.982 0.000) 10.770 14.328 ( -6.001 5.389 0.000) 8.065 15.031 ( 1.740 -14.760 0.000) 14.863 15.181 ( -12.800 -4.011 0.000) 13.414 15.490 ( 2.809 -4.662 0.000) 5.443 15.535 ( 3.845 -5.021 0.000) 6.324 15.546 ( -2.511 -4.339 0.000) 5.013 15.608 ( -3.374 -3.980 0.000) 5.217 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 18.424 0.000) 18.424 1.477 ( 0.000 22.141 0.000) 22.141 1.714 ( 0.000 1.488 0.000) 1.488 1.758 ( 0.000 3.006 0.000) 3.006 1.807 ( 0.000 -5.534 0.000) 5.534 1.847 ( 0.000 10.408 0.000) 10.408 1.903 ( 0.000 -2.884 0.000) 2.884 1.970 ( 0.000 -3.524 0.000) 3.524 1.998 ( 0.000 8.652 0.000) 8.652 2.081 ( 0.000 10.769 0.000) 10.769 2.090 ( 0.000 1.621 0.000) 1.621 2.122 ( 0.000 1.970 0.000) 1.970 2.176 ( 0.000 -3.067 0.000) 3.067 2.337 ( 0.000 -3.222 0.000) 3.222 2.358 ( 0.000 6.615 0.000) 6.615 2.359 ( 0.000 -1.587 0.000) 1.587 2.389 ( 0.000 -4.203 0.000) 4.203 2.432 ( 0.000 -2.302 0.000) 2.302 2.566 ( 0.000 19.056 0.000) 19.056 2.608 ( 0.000 -4.508 0.000) 4.508 2.657 ( 0.000 5.880 0.000) 5.880 2.795 ( 0.000 -2.378 0.000) 2.378 2.889 ( 0.000 -9.336 0.000) 9.336 2.923 ( 0.000 16.234 0.000) 16.234 3.004 ( 0.000 2.165 0.000) 2.165 3.025 ( 0.000 3.185 0.000) 3.185 3.099 ( 0.000 4.443 0.000) 4.443 3.257 ( 0.000 5.393 0.000) 5.393 3.307 ( 0.000 -1.875 0.000) 1.875 3.431 ( 0.000 0.552 0.000) 0.552 3.448 ( 0.000 3.858 0.000) 3.858 3.519 ( 0.000 -1.292 0.000) 1.292 3.616 ( 0.000 4.747 0.000) 4.747 3.622 ( 0.000 -1.538 0.000) 1.538 3.705 ( 0.000 5.675 0.000) 5.675 3.782 ( 0.000 8.220 0.000) 8.220 3.896 ( 0.000 5.579 0.000) 5.579 3.902 ( 0.000 10.234 0.000) 10.234 3.966 ( 0.000 0.642 0.000) 0.642 3.971 ( 0.000 0.996 0.000) 0.996 4.087 ( 0.000 8.984 0.000) 8.984 4.147 ( 0.000 2.864 0.000) 2.864 4.246 ( 0.000 -1.022 0.000) 1.022 4.354 ( 0.000 9.383 0.000) 9.383 4.374 ( 0.000 -5.830 0.000) 5.830 4.382 ( 0.000 7.470 0.000) 7.470 4.401 ( 0.000 4.353 0.000) 4.353 4.522 ( 0.000 12.567 0.000) 12.567 4.643 ( 0.000 7.931 0.000) 7.931 4.744 ( 0.000 5.576 0.000) 5.576 4.772 ( 0.000 14.789 0.000) 14.789 4.957 ( 0.000 -1.700 0.000) 1.700 5.292 ( 0.000 -5.749 0.000) 5.749 5.296 ( 0.000 -8.492 0.000) 8.492 5.365 ( 0.000 -4.505 0.000) 4.505 5.527 ( 0.000 -6.769 0.000) 6.769 6.214 ( 0.000 -4.623 0.000) 4.623 6.273 ( 0.000 -8.223 0.000) 8.223 6.302 ( 0.000 -7.619 0.000) 7.619 6.362 ( 0.000 -6.869 0.000) 6.869 6.429 ( 0.000 8.321 0.000) 8.321 6.679 ( 0.000 5.624 0.000) 5.624 6.737 ( 0.000 10.140 0.000) 10.140 6.756 ( 0.000 5.413 0.000) 5.413 6.927 ( 0.000 9.212 0.000) 9.212 6.948 ( 0.000 6.644 0.000) 6.644 7.072 ( 0.000 -0.489 0.000) 0.489 7.085 ( 0.000 1.894 0.000) 1.894 7.387 ( 0.000 -4.240 0.000) 4.240 7.389 ( 0.000 0.570 0.000) 0.570 7.499 ( 0.000 -3.661 0.000) 3.661 7.643 ( 0.000 -10.810 0.000) 10.810 7.953 ( 0.000 -1.650 0.000) 1.650 8.080 ( 0.000 -5.344 0.000) 5.344 8.097 ( 0.000 -5.087 0.000) 5.087 8.137 ( 0.000 -5.475 0.000) 5.475 8.384 ( 0.000 -5.862 0.000) 5.862 8.523 ( 0.000 -3.557 0.000) 3.557 8.562 ( 0.000 -3.652 0.000) 3.652 8.647 ( 0.000 -11.115 0.000) 11.115 8.942 ( 0.000 2.884 0.000) 2.884 8.964 ( 0.000 2.160 0.000) 2.160 9.053 ( 0.000 -2.688 0.000) 2.688 9.093 ( 0.000 -0.022 0.000) 0.022 9.162 ( 0.000 -4.104 0.000) 4.104 9.184 ( 0.000 0.730 0.000) 0.730 9.259 ( 0.000 -0.827 0.000) 0.827 9.317 ( 0.000 -2.707 0.000) 2.707 9.402 ( 0.000 -1.510 0.000) 1.510 9.426 ( 0.000 1.208 0.000) 1.208 9.529 ( 0.000 -4.039 0.000) 4.039 9.540 ( 0.000 -5.824 0.000) 5.824 10.010 ( 0.000 4.802 0.000) 4.802 10.091 ( 0.000 2.094 0.000) 2.094 10.101 ( 0.000 10.421 0.000) 10.421 10.133 ( 0.000 8.448 0.000) 8.448 10.256 ( 0.000 6.057 0.000) 6.057 10.267 ( 0.000 7.418 0.000) 7.418 10.303 ( 0.000 10.589 0.000) 10.589 10.596 ( 0.000 2.096 0.000) 2.096 10.670 ( 0.000 0.427 0.000) 0.427 10.751 ( 0.000 6.600 0.000) 6.600 10.804 ( 0.000 2.860 0.000) 2.860 10.880 ( 0.000 -1.922 0.000) 1.922 11.055 ( 0.000 9.958 0.000) 9.958 11.097 ( 0.000 4.808 0.000) 4.808 11.338 ( 0.000 0.731 0.000) 0.731 11.350 ( 0.000 1.129 0.000) 1.129 11.362 ( 0.000 2.995 0.000) 2.995 11.392 ( 0.000 -0.541 0.000) 0.541 11.402 ( 0.000 -1.991 0.000) 1.991 11.451 ( 0.000 -3.218 0.000) 3.218 11.889 ( 0.000 -1.846 0.000) 1.846 12.113 ( 0.000 10.445 0.000) 10.445 12.134 ( 0.000 9.922 0.000) 9.922 12.438 ( 0.000 -6.665 0.000) 6.665 12.499 ( 0.000 -10.705 0.000) 10.705 12.668 ( 0.000 -5.780 0.000) 5.780 12.899 ( 0.000 17.741 0.000) 17.741 13.032 ( 0.000 -3.122 0.000) 3.122 13.128 ( 0.000 -15.315 0.000) 15.315 13.207 ( 0.000 -18.089 0.000) 18.089 13.661 ( 0.000 5.209 0.000) 5.209 13.712 ( 0.000 5.902 0.000) 5.902 13.906 ( 0.000 -5.081 0.000) 5.081 14.660 ( 0.000 -22.662 0.000) 22.662 14.946 ( 0.000 20.863 0.000) 20.863 15.321 ( 0.000 -3.477 0.000) 3.477 15.334 ( 0.000 -4.056 0.000) 4.056 15.504 ( 0.000 -2.892 0.000) 2.892 15.546 ( 0.000 -2.378 0.000) 2.378 15.774 ( 0.000 -5.162 0.000) 5.162 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 2.626 17.489 0.000) 17.685 1.495 ( 1.261 19.143 0.000) 19.185 1.674 ( -1.653 1.844 0.000) 2.477 1.772 ( -4.924 -2.102 0.000) 5.353 1.795 ( -1.381 7.345 0.000) 7.474 1.832 ( 1.913 0.954 0.000) 2.137 1.873 ( -1.110 -2.410 0.000) 2.653 1.938 ( -5.081 11.438 0.000) 12.516 2.044 ( 5.737 -4.007 0.000) 6.998 2.069 ( 0.069 6.150 0.000) 6.151 2.079 ( -1.247 1.974 0.000) 2.335 2.153 ( 2.773 4.068 0.000) 4.923 2.232 ( 5.386 -0.990 0.000) 5.476 2.290 ( -3.563 0.961 0.000) 3.690 2.337 ( -1.219 -0.645 0.000) 1.380 2.385 ( 2.056 6.121 0.000) 6.457 2.414 ( 1.273 -3.328 0.000) 3.564 2.479 ( 2.936 -1.955 0.000) 3.527 2.528 ( -0.339 11.546 0.000) 11.551 2.615 ( 0.861 -4.910 0.000) 4.985 2.766 ( 6.424 10.570 0.000) 12.369 2.810 ( 0.503 -6.364 0.000) 6.384 2.869 ( 0.406 -5.506 0.000) 5.521 2.893 ( -3.543 5.017 0.000) 6.141 2.937 ( -1.728 10.159 0.000) 10.305 3.061 ( -0.179 5.578 0.000) 5.581 3.152 ( 3.108 3.956 0.000) 5.031 3.171 ( -4.871 0.683 0.000) 4.919 3.309 ( -0.462 0.851 0.000) 0.968 3.353 ( -7.283 2.093 0.000) 7.578 3.425 ( -2.049 3.552 0.000) 4.101 3.483 ( -4.044 -3.839 0.000) 5.576 3.609 ( 1.157 3.828 0.000) 3.999 3.714 ( 1.275 5.206 0.000) 5.359 3.723 ( 7.092 -1.019 0.000) 7.164 3.792 ( 1.173 8.486 0.000) 8.566 3.851 ( -2.059 7.365 0.000) 7.648 3.975 ( 2.590 7.866 0.000) 8.281 3.980 ( 0.709 -0.315 0.000) 0.776 3.984 ( 2.931 1.549 0.000) 3.316 4.108 ( 1.615 9.975 0.000) 10.105 4.134 ( -0.893 5.658 0.000) 5.728 4.218 ( -4.687 2.987 0.000) 5.558 4.301 ( -0.360 3.096 0.000) 3.117 4.350 ( -2.744 8.121 0.000) 8.573 4.380 ( 0.326 -4.504 0.000) 4.516 4.464 ( 3.310 6.032 0.000) 6.880 4.518 ( -0.670 11.286 0.000) 11.306 4.618 ( -1.725 8.892 0.000) 9.058 4.746 ( -2.731 13.699 0.000) 13.969 4.747 ( -0.009 4.770 0.000) 4.770 4.881 ( -5.721 0.666 0.000) 5.760 5.281 ( 0.575 -6.674 0.000) 6.698 5.362 ( -0.418 -5.010 0.000) 5.028 5.366 ( 4.677 -8.094 0.000) 9.348 5.532 ( 0.243 -6.938 0.000) 6.943 6.221 ( 0.629 -5.011 0.000) 5.050 6.264 ( -0.791 -7.750 0.000) 7.790 6.300 ( -0.161 -7.667 0.000) 7.669 6.344 ( -1.543 -7.095 0.000) 7.261 6.444 ( 1.550 8.878 0.000) 9.012 6.671 ( -4.118 9.347 0.000) 10.214 6.687 ( 0.782 5.887 0.000) 5.939 6.784 ( 0.117 6.278 0.000) 6.279 6.919 ( -0.316 8.827 0.000) 8.833 6.946 ( -0.214 6.642 0.000) 6.646 7.070 ( -0.161 -0.368 0.000) 0.402 7.081 ( -0.401 1.524 0.000) 1.576 7.387 ( -0.017 -3.802 0.000) 3.802 7.393 ( 0.239 -0.801 0.000) 0.836 7.520 ( 1.984 -4.141 0.000) 4.591 7.643 ( -0.220 -10.576 0.000) 10.578 7.977 ( 2.035 -1.745 0.000) 2.680 8.085 ( -1.046 -4.669 0.000) 4.784 8.092 ( 0.643 -4.934 0.000) 4.976 8.126 ( -0.973 -4.267 0.000) 4.377 8.402 ( 1.765 -5.973 0.000) 6.228 8.510 ( -0.916 -3.753 0.000) 3.863 8.597 ( 2.709 -4.979 0.000) 5.668 8.661 ( 1.082 -10.459 0.000) 10.515 8.929 ( -0.921 2.763 0.000) 2.912 8.974 ( 0.684 1.723 0.000) 1.854 9.010 ( -2.348 -1.893 0.000) 3.015 9.058 ( -4.416 -0.762 0.000) 4.481 9.156 ( 2.935 -0.070 0.000) 2.936 9.250 ( -0.576 -0.421 0.000) 0.713 9.274 ( 4.435 -2.269 0.000) 4.982 9.335 ( 1.500 -2.536 0.000) 2.946 9.417 ( 1.209 -1.679 0.000) 2.069 9.439 ( 0.697 0.131 0.000) 0.709 9.543 ( 1.263 -4.502 0.000) 4.676 9.549 ( 0.747 -6.176 0.000) 6.221 10.002 ( -0.838 5.473 0.000) 5.537 10.034 ( -4.069 9.412 0.000) 10.254 10.087 ( -0.292 3.063 0.000) 3.077 10.132 ( -0.403 6.602 0.000) 6.614 10.280 ( 2.731 7.975 0.000) 8.429 10.333 ( 2.824 9.844 0.000) 10.241 10.353 ( 5.542 8.152 0.000) 9.857 10.575 ( -2.084 4.906 0.000) 5.331 10.672 ( 0.175 0.227 0.000) 0.287 10.714 ( -2.471 4.253 0.000) 4.918 10.801 ( -0.258 2.290 0.000) 2.305 10.860 ( -1.748 -0.918 0.000) 1.974 11.099 ( 3.201 9.424 0.000) 9.953 11.116 ( 1.673 3.974 0.000) 4.312 11.313 ( -3.032 2.847 0.000) 4.159 11.326 ( -0.876 0.977 0.000) 1.312 11.382 ( 1.503 -2.533 0.000) 2.945 11.393 ( 0.177 1.151 0.000) 1.164 11.416 ( 0.574 -2.089 0.000) 2.166 11.448 ( 0.050 -1.284 0.000) 1.285 11.913 ( 2.201 -2.320 0.000) 3.198 12.153 ( 2.450 7.565 0.000) 7.952 12.171 ( 4.072 10.061 0.000) 10.854 12.335 ( -6.817 -6.479 0.000) 9.404 12.551 ( 3.818 -8.598 0.000) 9.407 12.604 ( -5.815 -4.958 0.000) 7.642 12.724 ( -11.306 14.028 0.000) 18.017 13.022 ( -5.524 0.333 0.000) 5.534 13.131 ( 4.671 -14.562 0.000) 15.293 13.404 ( 13.093 -18.580 0.000) 22.729 13.614 ( -2.711 1.218 0.000) 2.972 13.792 ( 4.738 -6.624 0.000) 8.144 14.033 ( 11.235 8.938 0.000) 14.357 14.661 ( 1.532 -18.855 0.000) 18.917 14.865 ( -7.878 20.675 0.000) 22.125 15.347 ( 2.001 -4.033 0.000) 4.502 15.363 ( 2.813 -4.264 0.000) 5.108 15.449 ( -6.975 -1.086 0.000) 7.059 15.519 ( -2.412 -3.194 0.000) 4.003 15.645 ( -9.576 -4.976 0.000) 10.791 ======================= Grid point 17 (12/45) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 5.081 13.357 0.000) 14.291 1.470 ( -4.881 9.932 0.000) 11.067 1.683 ( 1.517 12.623 0.000) 12.714 1.699 ( 1.414 1.632 0.000) 2.159 1.728 ( -3.304 4.644 0.000) 5.699 1.798 ( -5.921 11.809 0.000) 13.210 1.878 ( 0.857 -3.881 0.000) 3.974 1.884 ( 0.181 -0.010 0.000) 0.181 2.028 ( -1.163 -0.930 0.000) 1.489 2.054 ( -2.461 -2.728 0.000) 3.674 2.174 ( 4.892 2.082 0.000) 5.317 2.231 ( 2.055 4.247 0.000) 4.718 2.242 ( 0.740 6.723 0.000) 6.763 2.303 ( -1.992 3.441 0.000) 3.976 2.369 ( 6.102 -0.495 0.000) 6.122 2.416 ( 0.630 4.985 0.000) 5.025 2.433 ( 0.824 -0.454 0.000) 0.940 2.478 ( -2.163 0.825 0.000) 2.314 2.604 ( 5.343 4.276 0.000) 6.843 2.641 ( 1.209 -4.982 0.000) 5.127 2.763 ( -1.414 -6.285 0.000) 6.442 2.810 ( -4.281 1.746 0.000) 4.623 2.904 ( 2.177 0.017 0.000) 2.177 2.918 ( -0.782 5.563 0.000) 5.618 2.934 ( 6.464 9.267 0.000) 11.298 3.023 ( -2.460 10.918 0.000) 11.192 3.068 ( -1.444 1.577 0.000) 2.138 3.171 ( -9.244 2.075 0.000) 9.474 3.260 ( 4.894 -1.794 0.000) 5.213 3.308 ( 1.585 1.645 0.000) 2.284 3.350 ( -4.822 -1.101 0.000) 4.946 3.386 ( -4.471 -0.786 0.000) 4.539 3.656 ( 3.037 4.146 0.000) 5.140 3.715 ( -2.037 3.697 0.000) 4.221 3.831 ( 2.111 7.768 0.000) 8.050 3.841 ( 0.956 6.010 0.000) 6.086 3.886 ( 8.110 -1.813 0.000) 8.311 3.975 ( -0.771 0.610 0.000) 0.983 3.975 ( -1.076 4.097 0.000) 4.236 4.038 ( -3.622 -3.272 0.000) 4.881 4.108 ( -1.223 13.604 0.000) 13.659 4.121 ( -0.590 9.794 0.000) 9.811 4.167 ( 4.619 11.576 0.000) 12.463 4.273 ( -4.697 10.489 0.000) 11.493 4.333 ( 2.416 -1.068 0.000) 2.641 4.376 ( -1.133 -3.261 0.000) 3.452 4.491 ( -1.300 8.498 0.000) 8.597 4.492 ( -0.685 5.363 0.000) 5.407 4.623 ( 2.484 11.862 0.000) 12.120 4.678 ( -2.898 12.274 0.000) 12.612 4.745 ( 0.282 3.434 0.000) 3.446 4.784 ( -3.484 3.191 0.000) 4.725 5.308 ( 1.778 -6.721 0.000) 6.952 5.343 ( -1.414 -6.054 0.000) 6.217 5.465 ( 4.284 -8.359 0.000) 9.393 5.524 ( -1.377 -7.635 0.000) 7.759 6.236 ( 0.714 -5.731 0.000) 5.775 6.248 ( -0.598 -6.701 0.000) 6.728 6.297 ( -0.013 -7.496 0.000) 7.496 6.310 ( -1.408 -7.408 0.000) 7.541 6.496 ( 3.492 9.496 0.000) 10.118 6.581 ( -4.458 9.680 0.000) 10.657 6.712 ( 1.682 6.460 0.000) 6.675 6.755 ( -2.279 6.594 0.000) 6.976 6.925 ( 0.714 7.497 0.000) 7.531 6.939 ( -0.495 6.786 0.000) 6.804 7.068 ( -0.006 -0.049 0.000) 0.049 7.072 ( -0.378 0.670 0.000) 0.769 7.388 ( 0.191 -2.978 0.000) 2.984 7.393 ( -0.213 -2.190 0.000) 2.201 7.574 ( 2.941 -6.304 0.000) 6.956 7.625 ( -1.721 -9.134 0.000) 9.294 8.023 ( 2.170 -2.213 0.000) 3.099 8.060 ( -1.409 -3.352 0.000) 3.636 8.096 ( -0.021 -3.809 0.000) 3.809 8.104 ( -0.903 -3.208 0.000) 3.333 8.448 ( 2.310 -5.626 0.000) 6.082 8.487 ( -1.431 -4.631 0.000) 4.847 8.653 ( 2.256 -7.165 0.000) 7.512 8.677 ( 0.037 -8.989 0.000) 8.989 8.920 ( 0.416 1.919 0.000) 1.963 8.955 ( -2.849 -0.289 0.000) 2.863 8.987 ( 0.539 0.684 0.000) 0.871 9.000 ( -1.075 0.130 0.000) 1.083 9.211 ( 2.090 0.092 0.000) 2.092 9.238 ( -0.730 0.110 0.000) 0.738 9.345 ( 2.252 -2.007 0.000) 3.016 9.362 ( 0.599 -2.224 0.000) 2.303 9.438 ( 0.536 -1.291 0.000) 1.398 9.443 ( -0.155 -0.683 0.000) 0.701 9.564 ( 0.610 -7.132 0.000) 7.158 9.566 ( 0.611 -6.219 0.000) 6.249 9.977 ( -1.224 8.027 0.000) 8.119 9.978 ( -1.043 6.791 0.000) 6.870 10.089 ( 0.695 4.074 0.000) 4.133 10.112 ( -1.309 4.675 0.000) 4.854 10.361 ( 4.327 10.209 0.000) 11.088 10.393 ( 1.821 9.327 0.000) 9.503 10.443 ( 2.949 8.506 0.000) 9.003 10.510 ( -3.920 9.193 0.000) 9.994 10.676 ( 0.200 -0.281 0.000) 0.345 10.681 ( -0.586 0.223 0.000) 0.627 10.800 ( 0.326 1.337 0.000) 1.376 10.821 ( -1.718 0.402 0.000) 1.765 11.153 ( 1.622 7.648 0.000) 7.818 11.154 ( 1.517 4.444 0.000) 4.696 11.265 ( -1.037 2.437 0.000) 2.649 11.287 ( -2.519 0.780 0.000) 2.637 11.391 ( 0.683 -3.750 0.000) 3.812 11.408 ( -0.878 -3.873 0.000) 3.971 11.434 ( 1.915 2.061 0.000) 2.813 11.454 ( -0.020 1.103 0.000) 1.103 11.979 ( 4.364 -3.782 0.000) 5.775 12.097 ( -6.708 -4.422 0.000) 8.034 12.304 ( 8.241 10.562 0.000) 13.397 12.318 ( 5.202 3.054 0.000) 6.032 12.458 ( -7.593 -0.902 0.000) 7.646 12.498 ( -10.360 12.494 0.000) 16.230 12.662 ( 7.146 -4.730 0.000) 8.570 12.843 ( -9.916 -0.863 0.000) 9.953 13.298 ( 10.138 -13.972 0.000) 17.262 13.498 ( -8.335 -10.336 0.000) 13.278 13.670 ( 11.628 -17.696 0.000) 21.175 13.835 ( -3.093 -12.376 0.000) 12.756 14.314 ( 15.488 15.754 0.000) 22.092 14.632 ( -14.210 19.075 0.000) 23.786 14.805 ( 13.259 -6.673 0.000) 14.844 15.157 ( -18.632 0.586 0.000) 18.641 15.397 ( 2.814 -4.355 0.000) 5.185 15.434 ( 3.748 -5.048 0.000) 6.288 15.459 ( -3.102 -4.199 0.000) 5.221 15.513 ( -4.100 -5.616 0.000) 6.954 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 12.675 0.000) 12.675 1.689 ( 0.000 0.620 0.000) 0.620 1.718 ( 0.000 -2.965 0.000) 2.965 1.737 ( 0.000 -5.061 0.000) 5.061 1.868 ( 0.000 -0.291 0.000) 0.291 1.888 ( 0.000 1.119 0.000) 1.119 1.936 ( 0.000 14.570 0.000) 14.570 2.039 ( 0.000 8.563 0.000) 8.563 2.115 ( 0.000 0.724 0.000) 0.724 2.138 ( 0.000 1.259 0.000) 1.259 2.149 ( 0.000 -0.658 0.000) 0.658 2.175 ( 0.000 4.236 0.000) 4.236 2.197 ( 0.000 1.577 0.000) 1.577 2.252 ( 0.000 -10.309 0.000) 10.309 2.270 ( 0.000 -0.713 0.000) 0.713 2.358 ( 0.000 -4.684 0.000) 4.684 2.368 ( 0.000 2.490 0.000) 2.490 2.472 ( 0.000 -7.408 0.000) 7.408 2.491 ( 0.000 7.305 0.000) 7.305 2.644 ( 0.000 -6.246 0.000) 6.246 2.726 ( 0.000 -2.429 0.000) 2.429 2.738 ( 0.000 -4.439 0.000) 4.439 2.947 ( 0.000 15.145 0.000) 15.145 3.022 ( 0.000 1.158 0.000) 1.158 3.047 ( 0.000 -0.656 0.000) 0.656 3.124 ( 0.000 -3.470 0.000) 3.470 3.194 ( 0.000 10.788 0.000) 10.788 3.351 ( 0.000 4.271 0.000) 4.271 3.353 ( 0.000 3.892 0.000) 3.892 3.362 ( 0.000 -6.387 0.000) 6.387 3.520 ( 0.000 2.928 0.000) 2.928 3.543 ( 0.000 0.966 0.000) 0.966 3.598 ( 0.000 -0.407 0.000) 0.407 3.640 ( 0.000 -2.918 0.000) 2.918 3.828 ( 0.000 5.897 0.000) 5.897 3.910 ( 0.000 3.965 0.000) 3.965 3.920 ( 0.000 -3.279 0.000) 3.279 3.943 ( 0.000 -0.759 0.000) 0.759 3.992 ( 0.000 4.037 0.000) 4.037 4.039 ( 0.000 0.636 0.000) 0.636 4.204 ( 0.000 2.624 0.000) 2.624 4.204 ( 0.000 3.167 0.000) 3.167 4.229 ( 0.000 -0.179 0.000) 0.179 4.268 ( 0.000 -4.357 0.000) 4.357 4.494 ( 0.000 4.210 0.000) 4.210 4.501 ( 0.000 3.664 0.000) 3.664 4.556 ( 0.000 8.496 0.000) 8.496 4.662 ( 0.000 -0.239 0.000) 0.239 4.785 ( 0.000 5.728 0.000) 5.728 4.842 ( 0.000 1.444 0.000) 1.444 4.952 ( 0.000 1.743 0.000) 1.743 4.958 ( 0.000 3.352 0.000) 3.352 5.181 ( 0.000 -2.024 0.000) 2.024 5.203 ( 0.000 -3.117 0.000) 3.117 5.349 ( 0.000 2.324 0.000) 2.324 5.416 ( 0.000 -4.325 0.000) 4.325 6.149 ( 0.000 -3.312 0.000) 3.312 6.159 ( 0.000 0.076 0.000) 0.076 6.166 ( 0.000 -4.776 0.000) 4.776 6.227 ( 0.000 -6.036 0.000) 6.036 6.592 ( 0.000 7.407 0.000) 7.407 6.702 ( 0.000 -2.979 0.000) 2.979 6.845 ( 0.000 3.318 0.000) 3.318 6.866 ( 0.000 2.152 0.000) 2.152 7.057 ( 0.000 3.488 0.000) 3.488 7.071 ( 0.000 5.288 0.000) 5.288 7.075 ( 0.000 0.661 0.000) 0.661 7.126 ( 0.000 0.637 0.000) 0.637 7.345 ( 0.000 1.121 0.000) 1.121 7.412 ( 0.000 1.382 0.000) 1.382 7.441 ( 0.000 -1.961 0.000) 1.961 7.450 ( 0.000 -8.333 0.000) 8.333 7.932 ( 0.000 0.100 0.000) 0.100 7.978 ( 0.000 -4.337 0.000) 4.337 8.033 ( 0.000 -1.115 0.000) 1.115 8.052 ( 0.000 -2.848 0.000) 2.848 8.337 ( 0.000 1.759 0.000) 1.759 8.445 ( 0.000 -8.521 0.000) 8.521 8.478 ( 0.000 -0.673 0.000) 0.673 8.498 ( 0.000 -2.456 0.000) 2.456 8.984 ( 0.000 1.213 0.000) 1.213 8.991 ( 0.000 0.486 0.000) 0.486 9.025 ( 0.000 0.125 0.000) 0.125 9.057 ( 0.000 -2.826 0.000) 2.826 9.145 ( 0.000 1.502 0.000) 1.502 9.176 ( 0.000 -1.284 0.000) 1.284 9.253 ( 0.000 0.248 0.000) 0.248 9.271 ( 0.000 -1.619 0.000) 1.619 9.403 ( 0.000 1.362 0.000) 1.362 9.440 ( 0.000 0.551 0.000) 0.551 9.450 ( 0.000 -3.313 0.000) 3.313 9.464 ( 0.000 -2.166 0.000) 2.166 10.083 ( 0.000 2.508 0.000) 2.508 10.109 ( 0.000 -0.164 0.000) 0.164 10.265 ( 0.000 5.197 0.000) 5.197 10.278 ( 0.000 4.303 0.000) 4.303 10.346 ( 0.000 2.729 0.000) 2.729 10.359 ( 0.000 1.686 0.000) 1.686 10.480 ( 0.000 6.715 0.000) 6.715 10.573 ( 0.000 -2.990 0.000) 2.990 10.712 ( 0.000 4.208 0.000) 4.208 10.815 ( 0.000 -4.870 0.000) 4.870 10.865 ( 0.000 2.901 0.000) 2.901 10.875 ( 0.000 3.196 0.000) 3.196 11.207 ( 0.000 6.152 0.000) 6.152 11.253 ( 0.000 8.592 0.000) 8.592 11.315 ( 0.000 -1.231 0.000) 1.231 11.327 ( 0.000 -5.327 0.000) 5.327 11.339 ( 0.000 -0.292 0.000) 0.292 11.390 ( 0.000 0.412 0.000) 0.412 11.393 ( 0.000 -2.491 0.000) 2.491 11.410 ( 0.000 -1.396 0.000) 1.396 11.997 ( 0.000 12.775 0.000) 12.775 12.256 ( 0.000 0.048 0.000) 0.048 12.270 ( 0.000 -0.338 0.000) 0.338 12.343 ( 0.000 -20.195 0.000) 20.195 12.401 ( 0.000 6.032 0.000) 6.032 12.421 ( 0.000 6.390 0.000) 6.390 12.836 ( 0.000 -11.746 0.000) 11.746 12.868 ( 0.000 -14.066 0.000) 14.066 13.182 ( 0.000 12.779 0.000) 12.779 13.263 ( 0.000 15.924 0.000) 15.924 13.527 ( 0.000 -11.561 0.000) 11.561 13.638 ( 0.000 -9.357 0.000) 9.357 14.064 ( 0.000 10.642 0.000) 10.642 14.284 ( 0.000 -13.819 0.000) 13.819 15.270 ( 0.000 -1.445 0.000) 1.445 15.273 ( 0.000 -1.804 0.000) 1.804 15.301 ( 0.000 13.953 0.000) 13.953 15.452 ( 0.000 -2.856 0.000) 2.856 15.524 ( 0.000 0.976 0.000) 0.976 15.633 ( 0.000 -8.440 0.000) 8.440 ======================= Grid point 21 (14/45) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 1.818 13.128 0.000) 13.253 1.648 ( -2.142 2.227 0.000) 3.090 1.706 ( -1.239 -3.420 0.000) 3.637 1.777 ( 2.481 -5.930 0.000) 6.428 1.849 ( -1.474 2.864 0.000) 3.221 1.911 ( 0.920 1.163 0.000) 1.483 1.940 ( -6.408 6.458 0.000) 9.098 1.971 ( 2.717 9.905 0.000) 10.271 2.055 ( -6.225 -4.583 0.000) 7.730 2.148 ( 2.957 2.386 0.000) 3.799 2.157 ( -1.489 9.260 0.000) 9.379 2.197 ( 4.543 -2.253 0.000) 5.071 2.239 ( 2.134 2.550 0.000) 3.325 2.265 ( 1.673 -8.057 0.000) 8.229 2.332 ( 3.105 2.170 0.000) 3.788 2.387 ( 1.869 2.020 0.000) 2.751 2.405 ( 3.382 -4.075 0.000) 5.296 2.483 ( 1.289 -6.953 0.000) 7.071 2.493 ( 0.810 5.077 0.000) 5.141 2.615 ( -1.785 -4.235 0.000) 4.596 2.699 ( -1.976 -1.768 0.000) 2.652 2.743 ( 0.637 -5.400 0.000) 5.437 2.948 ( -5.180 2.569 0.000) 5.782 2.990 ( 3.715 10.297 0.000) 10.946 3.002 ( -4.181 -2.396 0.000) 4.819 3.122 ( -0.446 -3.651 0.000) 3.678 3.211 ( 0.348 9.006 0.000) 9.012 3.298 ( -2.196 6.755 0.000) 7.103 3.355 ( -0.937 1.348 0.000) 1.642 3.359 ( -0.959 -5.577 0.000) 5.659 3.450 ( -6.410 4.095 0.000) 7.606 3.496 ( -4.203 0.649 0.000) 4.253 3.649 ( 3.721 1.072 0.000) 3.872 3.693 ( 5.201 -2.676 0.000) 5.849 3.824 ( -0.471 5.700 0.000) 5.720 3.924 ( 1.263 4.006 0.000) 4.200 3.925 ( 0.022 -3.559 0.000) 3.559 3.960 ( 1.372 -0.595 0.000) 1.495 3.980 ( -0.627 4.070 0.000) 4.118 4.045 ( -0.042 -1.346 0.000) 1.347 4.222 ( 1.691 3.258 0.000) 3.671 4.238 ( 3.280 4.024 0.000) 5.192 4.267 ( 3.257 0.786 0.000) 3.351 4.286 ( 1.631 -3.790 0.000) 4.126 4.437 ( -3.591 7.954 0.000) 8.727 4.527 ( 0.445 -0.444 0.000) 0.629 4.533 ( -2.235 8.411 0.000) 8.702 4.640 ( -2.335 -0.753 0.000) 2.453 4.784 ( 0.342 6.625 0.000) 6.634 4.840 ( -0.264 1.969 0.000) 1.987 4.907 ( -3.461 3.921 0.000) 5.230 4.933 ( -2.418 2.478 0.000) 3.462 5.193 ( 1.123 -1.439 0.000) 1.825 5.231 ( 2.832 -4.883 0.000) 5.645 5.336 ( -1.306 2.186 0.000) 2.547 5.412 ( -0.589 -4.986 0.000) 5.020 6.148 ( -0.066 -2.963 0.000) 2.964 6.157 ( -0.188 -0.548 0.000) 0.579 6.167 ( 0.134 -4.693 0.000) 4.695 6.212 ( -1.303 -5.547 0.000) 5.698 6.610 ( 1.772 7.358 0.000) 7.569 6.716 ( 1.373 -2.673 0.000) 3.005 6.810 ( -2.880 4.716 0.000) 5.526 6.857 ( -1.356 0.470 0.000) 1.435 7.050 ( -0.354 3.909 0.000) 3.925 7.068 ( -0.288 5.148 0.000) 5.156 7.077 ( 0.191 0.644 0.000) 0.671 7.118 ( -0.743 0.798 0.000) 1.091 7.349 ( 0.383 1.067 0.000) 1.134 7.398 ( -1.010 1.336 0.000) 1.675 7.445 ( 0.259 -3.205 0.000) 3.215 7.451 ( 0.128 -8.286 0.000) 8.287 7.958 ( 2.167 0.293 0.000) 2.186 8.001 ( 1.813 -3.837 0.000) 4.244 8.032 ( -0.117 -0.629 0.000) 0.640 8.055 ( 0.071 -2.660 0.000) 2.661 8.354 ( 1.670 1.872 0.000) 2.509 8.465 ( 1.693 -8.533 0.000) 8.699 8.468 ( -0.822 -0.071 0.000) 0.825 8.507 ( 0.662 -3.654 0.000) 3.714 8.973 ( -0.859 1.554 0.000) 1.776 8.990 ( -0.231 -0.104 0.000) 0.253 8.996 ( -1.905 0.495 0.000) 1.968 9.025 ( -2.413 -2.072 0.000) 3.181 9.177 ( 2.804 1.968 0.000) 3.426 9.224 ( 3.456 -2.592 0.000) 4.320 9.255 ( 0.263 0.912 0.000) 0.949 9.286 ( 1.244 -2.140 0.000) 2.475 9.415 ( 0.877 1.157 0.000) 1.451 9.443 ( 0.112 0.530 0.000) 0.542 9.457 ( 0.503 -3.212 0.000) 3.251 9.471 ( 0.433 -2.476 0.000) 2.513 10.086 ( 0.164 2.947 0.000) 2.951 10.116 ( 0.552 -0.054 0.000) 0.554 10.185 ( -4.570 5.108 0.000) 6.854 10.223 ( -3.323 1.531 0.000) 3.658 10.423 ( 5.440 5.192 0.000) 7.521 10.454 ( 5.718 1.886 0.000) 6.021 10.498 ( 1.802 6.177 0.000) 6.435 10.579 ( 0.722 -2.308 0.000) 2.419 10.711 ( -0.137 4.109 0.000) 4.111 10.812 ( -0.346 -4.468 0.000) 4.482 10.834 ( -3.471 4.319 0.000) 5.541 10.849 ( -1.405 1.978 0.000) 2.426 11.207 ( 0.138 5.400 0.000) 5.402 11.271 ( 0.626 5.264 0.000) 5.301 11.316 ( -0.972 -4.488 0.000) 4.592 11.316 ( -1.000 -1.675 0.000) 1.951 11.333 ( 0.963 2.036 0.000) 2.252 11.375 ( -0.899 1.295 0.000) 1.576 11.415 ( 1.719 -1.904 0.000) 2.565 11.420 ( 0.687 -2.412 0.000) 2.507 12.002 ( 0.420 11.440 0.000) 11.448 12.182 ( -6.148 -1.038 0.000) 6.235 12.224 ( -2.678 -4.274 0.000) 5.043 12.315 ( -2.503 -18.211 0.000) 18.382 12.416 ( 4.367 11.494 0.000) 12.296 12.535 ( 7.675 3.587 0.000) 8.472 12.879 ( 6.458 -6.637 0.000) 9.261 13.020 ( -11.128 15.396 0.000) 18.996 13.034 ( 11.572 -17.075 0.000) 20.627 13.207 ( -8.386 7.643 0.000) 11.346 13.443 ( -6.333 -6.748 0.000) 9.254 13.631 ( -2.162 -12.470 0.000) 12.656 14.242 ( 14.575 8.858 0.000) 17.056 14.391 ( 11.246 -8.253 0.000) 13.949 15.231 ( -7.653 15.746 0.000) 17.507 15.289 ( 1.680 -1.509 0.000) 2.258 15.295 ( 2.074 -2.150 0.000) 2.988 15.435 ( -2.167 -1.117 0.000) 2.438 15.468 ( -4.448 -1.807 0.000) 4.801 15.502 ( -11.561 -8.730 0.000) 14.487 ======================= Grid point 22 (15/45) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.534 11.453 0.000) 11.466 1.621 ( -0.774 5.900 0.000) 5.951 1.699 ( 1.320 -1.486 0.000) 1.987 1.762 ( -3.881 -2.653 0.000) 4.701 1.833 ( 0.479 1.430 0.000) 1.508 1.857 ( -1.398 1.770 0.000) 2.255 1.914 ( -0.096 -2.060 0.000) 2.062 1.945 ( -3.758 -4.618 0.000) 5.954 2.030 ( 3.068 11.018 0.000) 11.437 2.100 ( -3.520 11.399 0.000) 11.930 2.222 ( 3.229 -1.457 0.000) 3.543 2.260 ( -0.408 -2.704 0.000) 2.735 2.280 ( 3.627 -0.936 0.000) 3.746 2.348 ( -1.921 4.484 0.000) 4.878 2.349 ( 5.430 -3.654 0.000) 6.545 2.427 ( -1.545 -3.247 0.000) 3.596 2.446 ( 3.784 2.600 0.000) 4.591 2.512 ( -1.019 3.077 0.000) 3.242 2.527 ( 2.681 -5.300 0.000) 5.940 2.578 ( -2.327 -3.838 0.000) 4.488 2.719 ( 4.994 0.503 0.000) 5.019 2.788 ( 4.304 -6.799 0.000) 8.046 2.837 ( -5.586 1.735 0.000) 5.850 2.900 ( -5.568 -4.335 0.000) 7.057 3.093 ( 6.125 4.466 0.000) 7.580 3.120 ( 1.651 1.650 0.000) 2.334 3.176 ( -3.570 6.079 0.000) 7.049 3.267 ( -8.943 0.045 0.000) 8.943 3.289 ( 1.051 4.225 0.000) 4.354 3.328 ( -2.902 3.558 0.000) 4.591 3.348 ( 1.060 0.016 0.000) 1.060 3.403 ( -3.967 -0.651 0.000) 4.020 3.732 ( 3.993 3.972 0.000) 5.632 3.798 ( -2.240 5.162 0.000) 5.627 3.816 ( 5.794 -4.054 0.000) 7.072 3.904 ( -2.406 -4.085 0.000) 4.741 3.953 ( 1.200 3.688 0.000) 3.878 3.970 ( -0.546 3.334 0.000) 3.378 3.993 ( 1.787 0.014 0.000) 1.787 4.028 ( -1.453 -1.225 0.000) 1.901 4.268 ( 2.665 4.702 0.000) 5.405 4.308 ( 1.493 3.910 0.000) 4.185 4.324 ( 1.625 -1.759 0.000) 2.395 4.331 ( 0.811 0.600 0.000) 1.009 4.382 ( 1.414 10.749 0.000) 10.842 4.465 ( -4.203 8.028 0.000) 9.062 4.523 ( 0.076 -2.736 0.000) 2.737 4.568 ( -3.938 -1.381 0.000) 4.174 4.813 ( 2.290 5.995 0.000) 6.418 4.835 ( 0.080 3.484 0.000) 3.485 4.847 ( -1.826 5.281 0.000) 5.587 4.874 ( -2.979 3.048 0.000) 4.262 5.232 ( 2.701 -0.105 0.000) 2.703 5.293 ( -2.798 1.450 0.000) 3.151 5.308 ( 4.126 -6.832 0.000) 7.982 5.381 ( -2.604 -6.441 0.000) 6.947 6.149 ( 0.202 -2.422 0.000) 2.431 6.153 ( -0.179 -1.745 0.000) 1.754 6.171 ( 0.254 -4.411 0.000) 4.418 6.184 ( -1.126 -4.600 0.000) 4.735 6.663 ( 3.280 6.933 0.000) 7.670 6.739 ( -3.824 6.000 0.000) 7.115 6.756 ( 2.427 -1.883 0.000) 3.072 6.812 ( -2.722 -0.914 0.000) 2.871 7.050 ( 0.365 4.395 0.000) 4.410 7.060 ( -0.475 4.783 0.000) 4.807 7.084 ( 0.481 0.873 0.000) 0.996 7.099 ( -0.939 1.012 0.000) 1.380 7.360 ( 0.702 0.993 0.000) 1.216 7.377 ( -0.967 1.087 0.000) 1.454 7.450 ( 0.194 -5.696 0.000) 5.699 7.453 ( -0.031 -7.625 0.000) 7.625 8.003 ( 1.850 0.294 0.000) 1.873 8.027 ( -0.505 -0.024 0.000) 0.505 8.034 ( 1.149 -2.502 0.000) 2.753 8.050 ( -0.524 -2.125 0.000) 2.188 8.399 ( 2.461 1.563 0.000) 2.916 8.443 ( -1.671 0.831 0.000) 1.866 8.501 ( 1.474 -7.851 0.000) 7.988 8.516 ( 0.031 -5.951 0.000) 5.951 8.957 ( -0.417 1.663 0.000) 1.715 8.964 ( -1.090 0.994 0.000) 1.475 8.983 ( -0.245 -0.896 0.000) 0.929 8.988 ( -0.908 -1.192 0.000) 1.499 9.234 ( 2.211 2.157 0.000) 3.088 9.258 ( -0.223 1.884 0.000) 1.897 9.290 ( 2.401 -3.207 0.000) 4.006 9.309 ( 0.527 -2.936 0.000) 2.983 9.431 ( 0.596 0.595 0.000) 0.842 9.440 ( -0.354 0.571 0.000) 0.672 9.464 ( 0.273 -3.012 0.000) 3.024 9.473 ( -0.339 -2.974 0.000) 2.993 10.088 ( 0.282 4.027 0.000) 4.036 10.112 ( -2.285 5.013 0.000) 5.510 10.131 ( 0.986 -0.077 0.000) 0.989 10.164 ( -2.266 0.033 0.000) 2.266 10.529 ( 3.659 5.150 0.000) 6.317 10.542 ( 1.702 5.152 0.000) 5.426 10.555 ( 3.893 2.363 0.000) 4.554 10.596 ( 0.226 -0.278 0.000) 0.358 10.710 ( 0.412 4.347 0.000) 4.366 10.753 ( -3.763 5.602 0.000) 6.748 10.805 ( -0.081 -3.080 0.000) 3.081 10.818 ( -1.315 -0.409 0.000) 1.377 11.220 ( 1.290 3.293 0.000) 3.537 11.257 ( -1.828 1.477 0.000) 2.350 11.291 ( -0.606 -0.813 0.000) 1.013 11.295 ( -0.810 -2.447 0.000) 2.577 11.358 ( 0.665 3.342 0.000) 3.408 11.364 ( -0.197 2.263 0.000) 2.272 11.437 ( 0.822 -3.136 0.000) 3.242 11.443 ( 0.556 -2.370 0.000) 2.435 12.015 ( 1.092 8.000 0.000) 8.074 12.065 ( -4.172 2.978 0.000) 5.126 12.207 ( 1.036 -9.598 0.000) 9.654 12.254 ( -3.045 -14.151 0.000) 14.475 12.561 ( 9.242 13.421 0.000) 16.296 12.729 ( 11.050 2.739 0.000) 11.384 12.781 ( -11.636 14.957 0.000) 18.950 12.976 ( -12.472 3.516 0.000) 12.958 13.064 ( 10.432 -3.462 0.000) 10.991 13.277 ( -9.668 -3.452 0.000) 10.266 13.287 ( 12.232 -18.881 0.000) 22.497 13.513 ( -9.026 -18.092 0.000) 20.219 14.594 ( 18.763 10.829 0.000) 21.664 14.729 ( 19.911 -3.413 0.000) 20.201 14.972 ( -16.663 14.077 0.000) 21.813 15.150 ( -19.716 -3.227 0.000) 19.978 15.333 ( 2.505 -1.622 0.000) 2.984 15.348 ( 2.781 -3.054 0.000) 4.131 15.389 ( -3.014 -2.333 0.000) 3.812 15.403 ( -2.542 -4.094 0.000) 4.819 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 0.000 0.000 20.941) 20.941 0.513 ( 0.000 0.000 24.062) 24.062 1.029 ( 0.000 0.000 44.540) 44.540 1.307 ( 0.000 0.000 -13.910) 13.910 1.447 ( 0.000 0.000 -18.628) 18.628 1.586 ( 0.000 0.000 -0.005) 0.005 1.702 ( 0.000 0.000 -3.617) 3.617 1.750 ( 0.000 0.000 5.937) 5.937 1.773 ( 0.000 0.000 14.957) 14.957 1.842 ( 0.000 0.000 6.710) 6.710 1.996 ( 0.000 0.000 -4.521) 4.521 2.043 ( 0.000 0.000 10.262) 10.262 2.187 ( 0.000 0.000 0.307) 0.307 2.265 ( 0.000 0.000 9.895) 9.895 2.273 ( 0.000 0.000 -2.011) 2.011 2.274 ( 0.000 0.000 2.201) 2.201 2.335 ( 0.000 0.000 -1.757) 1.757 2.386 ( 0.000 0.000 -4.786) 4.786 2.462 ( 0.000 0.000 -1.084) 1.084 2.577 ( 0.000 0.000 4.644) 4.644 2.600 ( 0.000 0.000 2.641) 2.641 2.614 ( 0.000 0.000 -2.713) 2.713 2.708 ( 0.000 0.000 2.477) 2.477 2.780 ( 0.000 0.000 0.291) 0.291 2.881 ( 0.000 0.000 -2.245) 2.245 2.931 ( 0.000 0.000 -14.884) 14.884 3.048 ( 0.000 0.000 -0.300) 0.300 3.170 ( 0.000 0.000 0.954) 0.954 3.205 ( 0.000 0.000 -12.579) 12.579 3.269 ( 0.000 0.000 -3.709) 3.709 3.284 ( 0.000 0.000 -3.758) 3.758 3.324 ( 0.000 0.000 -1.695) 1.695 3.330 ( 0.000 0.000 -0.097) 0.097 3.370 ( 0.000 0.000 4.116) 4.116 3.395 ( 0.000 0.000 -1.498) 1.498 3.468 ( 0.000 0.000 -2.113) 2.113 3.527 ( 0.000 0.000 2.576) 2.576 3.580 ( 0.000 0.000 0.503) 0.503 3.592 ( 0.000 0.000 -13.824) 13.824 3.639 ( 0.000 0.000 -0.135) 0.135 3.757 ( 0.000 0.000 0.459) 0.459 3.778 ( 0.000 0.000 -8.341) 8.341 3.904 ( 0.000 0.000 0.147) 0.147 3.910 ( 0.000 0.000 -0.039) 0.039 4.029 ( 0.000 0.000 1.619) 1.619 4.125 ( 0.000 0.000 -0.787) 0.787 4.143 ( 0.000 0.000 -2.510) 2.510 4.344 ( 0.000 0.000 -5.850) 5.850 4.364 ( 0.000 0.000 13.202) 13.202 4.655 ( 0.000 0.000 -0.551) 0.551 4.917 ( 0.000 0.000 19.091) 19.091 5.496 ( 0.000 0.000 -7.204) 7.204 5.642 ( 0.000 0.000 2.995) 2.995 5.850 ( 0.000 0.000 -5.882) 5.882 5.894 ( 0.000 0.000 1.924) 1.924 5.972 ( 0.000 0.000 -0.373) 0.373 6.022 ( 0.000 0.000 -0.041) 0.041 6.039 ( 0.000 0.000 -1.150) 1.150 6.092 ( 0.000 0.000 4.106) 4.106 6.213 ( 0.000 0.000 -1.734) 1.734 6.465 ( 0.000 0.000 3.881) 3.881 6.589 ( 0.000 0.000 -1.045) 1.045 6.628 ( 0.000 0.000 6.009) 6.009 6.648 ( 0.000 0.000 0.859) 0.859 6.651 ( 0.000 0.000 0.495) 0.495 6.729 ( 0.000 0.000 5.306) 5.306 6.940 ( 0.000 0.000 -5.528) 5.528 7.016 ( 0.000 0.000 -5.658) 5.658 7.452 ( 0.000 0.000 2.813) 2.813 7.616 ( 0.000 0.000 -3.314) 3.314 7.980 ( 0.000 0.000 0.241) 0.241 7.990 ( 0.000 0.000 -2.778) 2.778 8.263 ( 0.000 0.000 5.140) 5.140 8.286 ( 0.000 0.000 2.026) 2.026 8.453 ( 0.000 0.000 0.517) 0.517 8.486 ( 0.000 0.000 1.056) 1.056 8.500 ( 0.000 0.000 -1.155) 1.155 8.503 ( 0.000 0.000 0.471) 0.471 8.550 ( 0.000 0.000 -1.597) 1.597 8.648 ( 0.000 0.000 -6.491) 6.491 8.984 ( 0.000 0.000 3.367) 3.367 9.030 ( 0.000 0.000 0.989) 0.989 9.068 ( 0.000 0.000 3.124) 3.124 9.168 ( 0.000 0.000 -4.237) 4.237 9.182 ( 0.000 0.000 -0.660) 0.660 9.222 ( 0.000 0.000 0.571) 0.571 9.248 ( 0.000 0.000 0.675) 0.675 9.464 ( 0.000 0.000 3.674) 3.674 9.470 ( 0.000 0.000 -9.763) 9.763 9.596 ( 0.000 0.000 -1.803) 1.803 9.649 ( 0.000 0.000 1.196) 1.196 9.714 ( 0.000 0.000 -0.550) 0.550 9.728 ( 0.000 0.000 -0.049) 0.049 9.730 ( 0.000 0.000 -0.166) 0.166 9.877 ( 0.000 0.000 1.251) 1.251 9.913 ( 0.000 0.000 -2.345) 2.345 9.928 ( 0.000 0.000 -0.683) 0.683 9.980 ( 0.000 0.000 -3.005) 3.005 10.248 ( 0.000 0.000 5.019) 5.019 10.392 ( 0.000 0.000 -1.124) 1.124 10.724 ( 0.000 0.000 1.418) 1.418 10.737 ( 0.000 0.000 2.671) 2.671 10.756 ( 0.000 0.000 0.787) 0.787 10.800 ( 0.000 0.000 3.158) 3.158 10.884 ( 0.000 0.000 -2.930) 2.930 10.935 ( 0.000 0.000 -2.680) 2.680 11.134 ( 0.000 0.000 0.455) 0.455 11.140 ( 0.000 0.000 0.283) 0.283 11.347 ( 0.000 0.000 2.460) 2.460 11.420 ( 0.000 0.000 -1.991) 1.991 11.560 ( 0.000 0.000 0.778) 0.778 11.598 ( 0.000 0.000 0.714) 0.714 11.750 ( 0.000 0.000 0.373) 0.373 11.779 ( 0.000 0.000 -0.687) 0.687 12.326 ( 0.000 0.000 1.472) 1.472 12.400 ( 0.000 0.000 -1.308) 1.308 12.867 ( 0.000 0.000 1.494) 1.494 12.874 ( 0.000 0.000 10.965) 10.965 12.946 ( 0.000 0.000 -1.452) 1.452 13.163 ( 0.000 0.000 -0.261) 0.261 13.498 ( 0.000 0.000 0.052) 0.052 13.500 ( 0.000 0.000 -0.043) 0.043 13.510 ( 0.000 0.000 -7.152) 7.152 13.726 ( 0.000 0.000 -14.556) 14.556 14.051 ( 0.000 0.000 11.773) 11.773 14.218 ( 0.000 0.000 4.368) 4.368 15.074 ( 0.000 0.000 4.686) 4.686 15.454 ( 0.000 0.000 -7.042) 7.042 15.528 ( 0.000 0.000 -2.520) 2.520 15.543 ( 0.000 0.000 -0.811) 0.811 15.703 ( 0.000 0.000 0.580) 0.580 15.706 ( 0.000 0.000 0.998) 0.998 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 13.111 0.000 17.357) 21.752 0.721 ( 19.763 0.000 14.118) 24.288 1.175 ( 13.178 0.000 39.386) 41.532 1.393 ( 9.416 0.000 -15.723) 18.327 1.439 ( -0.907 0.000 -13.369) 13.399 1.610 ( -1.451 0.000 -2.072) 2.530 1.676 ( -7.590 0.000 15.495) 17.254 1.697 ( -0.633 0.000 2.186) 2.276 1.771 ( 4.800 0.000 -1.651) 5.076 1.863 ( 1.066 0.000 7.085) 7.164 1.936 ( -4.301 0.000 -3.998) 5.872 2.051 ( 0.634 0.000 7.630) 7.656 2.134 ( -4.130 0.000 0.825) 4.211 2.235 ( -3.813 0.000 0.796) 3.896 2.238 ( -2.935 0.000 -4.617) 5.471 2.265 ( 0.119 0.000 9.021) 9.021 2.304 ( -2.317 0.000 -1.304) 2.659 2.400 ( -1.633 0.000 -4.358) 4.654 2.404 ( -3.933 0.000 2.419) 4.618 2.591 ( -1.066 0.000 3.141) 3.317 2.622 ( 3.078 0.000 2.336) 3.864 2.642 ( 2.624 0.000 1.519) 3.032 2.697 ( -1.475 0.000 3.069) 3.405 2.722 ( -5.605 0.000 0.183) 5.608 2.843 ( -1.223 0.000 -5.712) 5.841 2.954 ( -2.968 0.000 -5.573) 6.314 3.058 ( 0.486 0.000 -9.286) 9.299 3.144 ( -1.508 0.000 1.396) 2.055 3.224 ( -4.409 0.000 -0.175) 4.413 3.235 ( -1.925 0.000 -7.034) 7.293 3.293 ( -3.127 0.000 -1.721) 3.569 3.307 ( -3.830 0.000 -2.214) 4.424 3.339 ( 4.715 0.000 -6.917) 8.371 3.397 ( 2.547 0.000 -0.713) 2.645 3.456 ( 0.157 0.000 -1.517) 1.525 3.460 ( 8.323 0.000 -5.977) 10.246 3.565 ( -3.568 0.000 -16.836) 17.210 3.594 ( 4.933 0.000 0.915) 5.017 3.642 ( 3.731 0.000 0.001) 3.731 3.678 ( 2.522 0.000 -2.112) 3.289 3.779 ( 2.593 0.000 -4.777) 5.435 3.902 ( 0.540 0.000 0.265) 0.601 3.922 ( 11.373 0.000 -7.219) 13.471 3.940 ( 1.818 0.000 -0.767) 1.973 4.033 ( 0.567 0.000 1.834) 1.919 4.105 ( -1.721 0.000 0.627) 1.832 4.138 ( -0.725 0.000 -2.194) 2.311 4.338 ( -1.001 0.000 -6.986) 7.057 4.426 ( 5.456 0.000 10.532) 11.862 4.669 ( 0.932 0.000 1.151) 1.481 4.886 ( -2.120 0.000 16.213) 16.351 5.277 ( -14.277 0.000 4.025) 14.833 5.690 ( 4.483 0.000 2.484) 5.125 5.863 ( 1.329 0.000 -4.894) 5.072 5.915 ( 1.698 0.000 1.853) 2.514 5.982 ( 0.850 0.000 -0.238) 0.883 6.017 ( 0.294 0.000 0.920) 0.966 6.051 ( 0.585 0.000 0.683) 0.899 6.056 ( -3.194 0.000 3.625) 4.831 6.168 ( -4.210 0.000 -1.641) 4.519 6.488 ( 1.369 0.000 2.700) 3.028 6.579 ( -1.265 0.000 -1.303) 1.816 6.644 ( 0.103 0.000 1.815) 1.818 6.646 ( 1.532 0.000 5.757) 5.957 6.678 ( 1.276 0.000 1.593) 2.041 6.725 ( -0.464 0.000 5.118) 5.139 6.950 ( 0.885 0.000 -5.284) 5.357 7.010 ( -0.561 0.000 -5.524) 5.552 7.483 ( 2.500 0.000 -2.292) 3.391 7.666 ( 3.216 0.000 -6.132) 6.924 7.826 ( -6.449 0.000 4.772) 8.023 8.047 ( -2.556 0.000 -8.614) 8.985 8.270 ( 0.953 0.000 3.952) 4.065 8.327 ( 2.497 0.000 2.088) 3.255 8.448 ( -1.675 0.000 2.411) 2.936 8.454 ( 0.121 0.000 0.429) 0.446 8.480 ( -0.499 0.000 0.550) 0.743 8.505 ( 0.372 0.000 -0.835) 0.914 8.543 ( -0.636 0.000 -1.472) 1.603 8.678 ( -0.935 0.000 -5.470) 5.550 8.983 ( -0.079 0.000 2.854) 2.855 9.016 ( 2.921 0.000 2.983) 4.175 9.128 ( 1.050 0.000 0.134) 1.058 9.159 ( 1.653 0.000 0.119) 1.657 9.167 ( -0.190 0.000 -3.097) 3.103 9.264 ( 0.188 0.000 -2.682) 2.689 9.276 ( 1.897 0.000 -0.435) 1.946 9.386 ( -3.718 0.000 -3.854) 5.355 9.439 ( -1.922 0.000 2.959) 3.528 9.555 ( -3.785 0.000 -1.646) 4.128 9.716 ( 6.843 0.000 3.772) 7.814 9.741 ( 1.318 0.000 0.067) 1.320 9.753 ( 2.052 0.000 -0.448) 2.100 9.828 ( 5.547 0.000 -3.354) 6.482 9.879 ( 0.146 0.000 1.071) 1.081 9.895 ( -0.681 0.000 -1.845) 1.967 9.918 ( -1.003 0.000 -0.387) 1.075 10.029 ( 2.781 0.000 -2.117) 3.495 10.238 ( -2.650 0.000 6.867) 7.361 10.264 ( -5.074 0.000 6.297) 8.087 10.735 ( 0.874 0.000 1.280) 1.549 10.759 ( 0.210 0.000 0.952) 0.975 10.769 ( 2.803 0.000 2.154) 3.535 10.806 ( 0.648 0.000 2.279) 2.369 10.887 ( 0.130 0.000 -2.299) 2.303 10.916 ( -1.604 0.000 -2.218) 2.737 11.123 ( -0.881 0.000 0.375) 0.957 11.132 ( -0.786 0.000 0.179) 0.806 11.343 ( 0.462 0.000 1.132) 1.223 11.418 ( -0.712 0.000 -2.382) 2.486 11.579 ( 2.157 0.000 2.311) 3.161 11.623 ( 1.065 0.000 1.754) 2.052 11.786 ( 3.475 0.000 0.458) 3.505 11.818 ( 3.790 0.000 -0.726) 3.859 12.227 ( -7.992 0.000 1.393) 8.112 12.297 ( -8.432 0.000 -1.256) 8.525 12.626 ( -19.021 0.000 20.915) 28.270 12.801 ( -8.178 0.000 8.933) 12.111 12.970 ( 8.406 0.000 1.374) 8.517 13.043 ( 7.794 0.000 -1.361) 7.912 13.300 ( -11.430 0.000 -3.847) 12.060 13.455 ( -4.005 0.000 0.248) 4.013 13.467 ( -3.258 0.000 -0.222) 3.265 13.591 ( -11.814 0.000 -10.781) 15.994 14.279 ( 13.049 0.000 7.045) 14.829 14.490 ( 9.701 0.000 -0.182) 9.703 15.172 ( 5.349 0.000 -8.316) 9.888 15.385 ( -4.438 0.000 -7.722) 8.907 15.553 ( 3.304 0.000 0.568) 3.352 15.610 ( 2.747 0.000 -2.400) 3.648 15.701 ( -0.306 0.000 0.522) 0.605 15.704 ( -0.234 0.000 0.586) 0.631 ======================= Grid point 47 (18/45) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 16.522 0.000 9.424) 19.020 1.093 ( 15.765 0.000 16.938) 23.139 1.305 ( -13.224 0.000 2.422) 13.444 1.356 ( -6.526 0.000 16.485) 17.730 1.585 ( 3.144 0.000 -8.206) 8.787 1.605 ( 9.550 0.000 15.786) 18.450 1.649 ( 9.611 0.000 -3.263) 10.150 1.682 ( -4.218 0.000 -5.410) 6.860 1.874 ( 4.911 0.000 -1.469) 5.126 1.883 ( 2.120 0.000 4.437) 4.917 1.922 ( 1.936 0.000 -1.088) 2.221 2.011 ( -7.762 0.000 2.470) 8.145 2.061 ( 1.989 0.000 0.929) 2.195 2.151 ( -2.151 0.000 -1.004) 2.374 2.199 ( -4.167 0.000 -7.365) 8.462 2.206 ( -5.178 0.000 -1.204) 5.316 2.300 ( 1.542 0.000 6.243) 6.431 2.335 ( 0.088 0.000 3.841) 3.842 2.339 ( -2.321 0.000 5.294) 5.780 2.503 ( -13.248 0.000 3.781) 13.777 2.602 ( 1.921 0.000 6.201) 6.492 2.653 ( -2.572 0.000 4.780) 5.428 2.668 ( 1.426 0.000 1.456) 2.037 2.679 ( 0.606 0.000 1.071) 1.230 2.827 ( 0.747 0.000 -6.646) 6.688 2.873 ( -3.340 0.000 -5.978) 6.848 3.121 ( 4.186 0.000 -8.150) 9.162 3.131 ( 0.259 0.000 0.881) 0.918 3.153 ( -2.074 0.000 0.851) 2.242 3.192 ( -2.583 0.000 -6.998) 7.460 3.220 ( -2.124 0.000 -1.212) 2.445 3.235 ( -2.709 0.000 -0.869) 2.845 3.406 ( 2.606 0.000 -9.955) 10.291 3.452 ( 2.085 0.000 -1.256) 2.434 3.471 ( 0.297 0.000 -1.607) 1.634 3.472 ( -4.242 0.000 -17.975) 18.469 3.611 ( 5.832 0.000 -6.248) 8.547 3.669 ( 2.573 0.000 1.094) 2.796 3.690 ( -1.663 0.000 -4.913) 5.187 3.696 ( 0.561 0.000 1.187) 1.313 3.882 ( 6.267 0.000 0.026) 6.267 3.931 ( 2.150 0.000 -2.189) 3.068 3.962 ( -0.184 0.000 -2.388) 2.395 3.998 ( -4.146 0.000 -0.058) 4.146 4.059 ( 1.945 0.000 2.017) 2.802 4.106 ( -2.287 0.000 -0.322) 2.310 4.158 ( 6.823 0.000 -5.448) 8.731 4.281 ( -4.654 0.000 -6.864) 8.293 4.554 ( 6.098 0.000 7.246) 9.470 4.654 ( -3.100 0.000 6.303) 7.024 4.892 ( 3.753 0.000 8.285) 9.095 5.031 ( -9.374 0.000 6.366) 11.331 5.807 ( 6.162 0.000 1.440) 6.328 5.892 ( -0.160 0.000 -1.652) 1.660 5.955 ( 1.930 0.000 1.802) 2.641 5.986 ( -0.840 0.000 1.029) 1.329 5.991 ( -1.200 0.000 1.258) 1.739 6.036 ( 1.471 0.000 0.894) 1.721 6.058 ( -0.301 0.000 0.777) 0.833 6.058 ( -5.699 0.000 -1.284) 5.841 6.514 ( 1.197 0.000 0.951) 1.529 6.543 ( -1.770 0.000 -0.472) 1.832 6.661 ( 1.235 0.000 3.426) 3.642 6.681 ( 1.672 0.000 5.237) 5.497 6.683 ( -0.663 0.000 3.762) 3.820 6.709 ( -1.057 0.000 4.957) 5.068 6.972 ( 1.148 0.000 -5.040) 5.169 6.994 ( -0.973 0.000 -5.206) 5.296 7.553 ( 4.286 0.000 -3.120) 5.301 7.652 ( -4.735 0.000 -3.086) 5.652 7.803 ( 4.551 0.000 -1.952) 4.952 7.932 ( -7.034 0.000 -6.846) 9.816 8.301 ( 1.872 0.000 4.082) 4.491 8.338 ( -1.306 0.000 3.893) 4.106 8.459 ( 0.361 0.000 0.252) 0.440 8.468 ( -0.555 0.000 0.227) 0.600 8.485 ( 4.594 0.000 1.165) 4.740 8.514 ( 0.559 0.000 -0.854) 1.021 8.528 ( -0.748 0.000 -1.145) 1.368 8.597 ( -5.593 0.000 -0.465) 5.612 9.032 ( 3.818 0.000 0.378) 3.837 9.090 ( 3.830 0.000 1.817) 4.239 9.107 ( -2.696 0.000 -1.244) 2.969 9.151 ( -1.737 0.000 -0.398) 1.782 9.209 ( 1.796 0.000 -2.804) 3.330 9.234 ( -1.201 0.000 -3.406) 3.611 9.317 ( 1.652 0.000 0.018) 1.652 9.346 ( -1.269 0.000 -0.551) 1.384 9.414 ( 0.290 0.000 0.908) 0.953 9.464 ( -4.182 0.000 -0.836) 4.265 9.778 ( 1.895 0.000 0.352) 1.928 9.793 ( 1.012 0.000 -0.064) 1.014 9.846 ( 3.531 0.000 3.141) 4.726 9.878 ( -0.090 0.000 0.044) 0.100 9.884 ( -0.882 0.000 0.111) 0.889 9.892 ( -1.252 0.000 -0.230) 1.273 9.924 ( 5.482 0.000 -1.419) 5.662 10.021 ( -3.226 0.000 1.812) 3.700 10.204 ( 1.422 0.000 3.944) 4.192 10.238 ( -1.170 0.000 3.413) 3.608 10.754 ( 0.754 0.000 1.401) 1.591 10.762 ( -0.022 0.000 1.198) 1.198 10.832 ( 1.905 0.000 -0.027) 1.906 10.834 ( 3.043 0.000 0.981) 3.197 10.876 ( -2.147 0.000 -1.692) 2.734 10.879 ( -1.177 0.000 -0.682) 1.360 11.108 ( -0.352 0.000 0.102) 0.367 11.113 ( -0.807 0.000 -0.007) 0.807 11.367 ( 1.498 0.000 -0.418) 1.556 11.396 ( -1.255 0.000 -1.765) 2.165 11.620 ( 1.328 0.000 2.408) 2.750 11.634 ( 0.046 0.000 2.188) 2.188 11.890 ( 6.506 0.000 0.693) 6.542 11.932 ( 7.069 0.000 -0.888) 7.124 12.050 ( -8.434 0.000 1.138) 8.511 12.107 ( -9.288 0.000 -1.018) 9.344 12.481 ( 1.194 0.000 10.896) 10.961 12.597 ( -9.292 0.000 6.375) 11.269 13.160 ( 9.264 0.000 0.961) 9.313 13.193 ( 1.170 0.000 -0.866) 1.456 13.215 ( 8.051 0.000 -1.116) 8.128 13.330 ( -11.299 0.000 -4.096) 12.019 13.338 ( -7.128 0.000 0.684) 7.161 13.369 ( -6.166 0.000 -0.529) 6.189 14.497 ( 7.387 0.000 4.824) 8.822 14.575 ( -0.181 0.000 3.389) 3.394 15.250 ( 2.795 0.000 -10.271) 10.644 15.307 ( -3.123 0.000 -8.894) 9.427 15.618 ( 2.540 0.000 0.541) 2.597 15.645 ( 0.365 0.000 -0.876) 0.949 15.689 ( -0.339 0.000 0.364) 0.497 15.697 ( -0.564 0.000 -0.077) 0.569 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 14.156 14.352) 20.159 0.705 ( 0.000 15.844 17.019) 23.253 1.281 ( 0.000 14.407 7.119) 16.070 1.341 ( 0.000 12.464 13.268) 18.204 1.538 ( 0.000 7.669 -17.836) 19.415 1.741 ( 0.000 8.860 2.032) 9.090 1.772 ( 0.000 4.599 11.420) 12.311 1.797 ( 0.000 6.229 2.872) 6.860 1.887 ( 0.000 10.396 5.691) 11.851 1.921 ( 0.000 9.839 -0.313) 9.844 2.032 ( 0.000 1.015 -1.125) 1.515 2.032 ( 0.000 0.754 6.282) 6.328 2.090 ( 0.000 -6.524 -0.643) 6.555 2.274 ( 0.000 0.314 -1.965) 1.990 2.281 ( 0.000 -0.384 3.232) 3.254 2.299 ( 0.000 1.203 0.435) 1.280 2.353 ( 0.000 -0.977 1.321) 1.643 2.389 ( 0.000 5.273 -4.690) 7.057 2.484 ( 0.000 1.167 -1.226) 1.692 2.574 ( 0.000 -1.812 4.154) 4.532 2.582 ( 0.000 2.289 1.378) 2.672 2.705 ( 0.000 2.580 2.298) 3.455 2.720 ( 0.000 -7.406 4.432) 8.631 2.755 ( 0.000 7.718 4.032) 8.707 2.859 ( 0.000 2.712 -0.607) 2.779 2.941 ( 0.000 1.735 -14.026) 14.133 3.022 ( 0.000 1.856 -2.107) 2.808 3.188 ( 0.000 -0.853 -14.223) 14.249 3.208 ( 0.000 -2.395 -0.802) 2.526 3.295 ( 0.000 1.989 -1.486) 2.483 3.316 ( 0.000 0.990 -4.786) 4.888 3.376 ( 0.000 9.678 4.448) 10.651 3.410 ( 0.000 6.349 -1.302) 6.481 3.467 ( 0.000 6.752 0.384) 6.763 3.482 ( 0.000 1.618 0.263) 1.639 3.586 ( 0.000 4.491 -8.340) 9.472 3.635 ( 0.000 6.347 -1.984) 6.650 3.674 ( 0.000 8.340 -2.223) 8.632 3.684 ( 0.000 4.628 1.411) 4.838 3.705 ( 0.000 7.367 -2.478) 7.772 3.777 ( 0.000 9.756 -9.821) 13.843 3.794 ( 0.000 2.419 -5.016) 5.569 4.016 ( 0.000 9.900 -0.350) 9.906 4.038 ( 0.000 7.264 -0.343) 7.273 4.080 ( 0.000 -2.354 -4.517) 5.094 4.106 ( 0.000 9.333 -4.321) 10.284 4.189 ( 0.000 2.853 0.862) 2.980 4.393 ( 0.000 6.363 -7.075) 9.515 4.393 ( 0.000 3.410 10.166) 10.723 4.621 ( 0.000 -3.259 -0.667) 3.326 4.857 ( 0.000 -5.692 17.112) 18.034 5.282 ( 0.000 -15.921 1.493) 15.991 5.568 ( 0.000 -6.327 2.090) 6.663 5.691 ( 0.000 -10.877 -2.415) 11.141 5.740 ( 0.000 -10.970 1.566) 11.081 5.826 ( 0.000 -8.950 -1.274) 9.040 6.103 ( 0.000 6.981 0.803) 7.027 6.193 ( 0.000 11.161 -3.535) 11.708 6.296 ( 0.000 13.037 3.038) 13.386 6.381 ( 0.000 11.453 -0.409) 11.460 6.437 ( 0.000 -1.938 2.931) 3.513 6.549 ( 0.000 -4.114 -1.448) 4.362 6.595 ( 0.000 -4.252 1.340) 4.458 6.605 ( 0.000 -4.107 0.928) 4.210 6.668 ( 0.000 3.167 5.534) 6.376 6.767 ( 0.000 3.393 4.419) 5.571 6.965 ( 0.000 1.921 -5.314) 5.650 7.024 ( 0.000 0.666 -5.312) 5.354 7.437 ( 0.000 -1.352 2.333) 2.697 7.562 ( 0.000 -4.596 -2.368) 5.171 7.826 ( 0.000 -10.095 7.582) 12.625 7.955 ( 0.000 -3.559 -3.099) 4.719 8.157 ( 0.000 -8.342 3.459) 9.031 8.178 ( 0.000 -5.377 -1.561) 5.599 8.390 ( 0.000 -6.112 0.581) 6.140 8.395 ( 0.000 -6.825 -1.250) 6.939 8.548 ( 0.000 3.945 -1.957) 4.404 8.552 ( 0.000 0.167 -1.177) 1.188 8.605 ( 0.000 4.982 1.936) 5.345 8.752 ( 0.000 5.654 -6.832) 8.869 8.910 ( 0.000 -3.772 2.418) 4.481 9.015 ( 0.000 -4.391 3.310) 5.499 9.100 ( 0.000 -5.481 -3.132) 6.313 9.121 ( 0.000 1.175 -0.783) 1.412 9.207 ( 0.000 -2.216 0.003) 2.216 9.229 ( 0.000 4.245 2.198) 4.780 9.310 ( 0.000 6.428 -2.145) 6.776 9.358 ( 0.000 -6.962 -5.870) 9.106 9.544 ( 0.000 -5.517 1.079) 5.621 9.544 ( 0.000 6.823 4.394) 8.116 9.611 ( 0.000 -3.838 0.707) 3.902 9.712 ( 0.000 5.627 -2.919) 6.339 9.821 ( 0.000 0.320 -0.214) 0.385 9.842 ( 0.000 0.196 -1.929) 1.939 9.874 ( 0.000 6.023 1.127) 6.127 9.890 ( 0.000 3.189 -0.945) 3.326 9.983 ( 0.000 5.280 0.639) 5.319 10.012 ( 0.000 1.960 -0.721) 2.088 10.247 ( 0.000 -6.887 8.579) 11.001 10.263 ( 0.000 3.375 2.110) 3.980 10.715 ( 0.000 -0.773 1.426) 1.622 10.727 ( 0.000 -0.165 1.130) 1.142 10.768 ( 0.000 -2.397 1.475) 2.815 10.779 ( 0.000 1.360 -0.369) 1.410 10.924 ( 0.000 3.058 -1.644) 3.472 10.928 ( 0.000 -0.003 -1.086) 1.086 11.176 ( 0.000 3.671 0.441) 3.697 11.180 ( 0.000 3.598 0.262) 3.608 11.330 ( 0.000 -1.021 1.645) 1.936 11.401 ( 0.000 -1.749 -2.278) 2.872 11.546 ( 0.000 -1.006 1.078) 1.475 11.578 ( 0.000 -1.919 1.126) 2.225 11.804 ( 0.000 5.072 0.141) 5.074 11.818 ( 0.000 3.882 -0.507) 3.915 12.370 ( 0.000 2.075 3.010) 3.656 12.449 ( 0.000 4.768 -1.108) 4.895 12.636 ( 0.000 -23.566 21.635) 31.991 12.843 ( 0.000 -7.065 13.823) 15.524 12.963 ( 0.000 -12.092 -1.427) 12.176 12.989 ( 0.000 9.098 1.533) 9.226 13.084 ( 0.000 12.709 -1.234) 12.769 13.567 ( 0.000 -5.977 -1.236) 6.104 13.602 ( 0.000 -2.125 -12.429) 12.609 13.649 ( 0.000 -4.364 -5.974) 7.398 14.289 ( 0.000 9.522 8.394) 12.694 14.391 ( 0.000 1.856 5.333) 5.647 15.291 ( 0.000 10.692 -15.342) 18.700 15.347 ( 0.000 -10.815 -7.970) 13.434 15.493 ( 0.000 -3.038 -0.704) 3.118 15.532 ( 0.000 -0.871 -3.752) 3.852 15.680 ( 0.000 -2.307 1.351) 2.673 15.707 ( 0.000 0.792 -1.016) 1.288 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.20 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 12.416 8.163 13.252) 19.909 0.865 ( 13.797 12.937 13.804) 23.415 1.393 ( 4.974 8.914 5.984) 11.833 1.413 ( 11.984 13.901 8.853) 20.377 1.545 ( 0.453 8.472 -14.653) 16.932 1.672 ( -7.859 2.691 9.812) 12.856 1.763 ( -3.412 9.020 4.661) 10.712 1.798 ( -0.055 5.989 2.018) 6.320 1.845 ( -0.361 5.571 6.050) 8.233 1.948 ( 0.526 8.992 -1.104) 9.075 1.972 ( -1.946 1.918 0.571) 2.791 2.055 ( -1.442 -1.439 2.063) 2.899 2.077 ( 2.339 3.473 -0.113) 4.188 2.224 ( -4.115 -0.354 -3.339) 5.311 2.250 ( -2.065 -0.315 1.265) 2.442 2.329 ( 1.038 2.985 0.860) 3.275 2.351 ( -2.642 2.591 -0.851) 3.798 2.364 ( 0.172 0.031 3.400) 3.405 2.456 ( -2.364 5.135 0.115) 5.654 2.540 ( -0.384 -2.202 2.913) 3.672 2.657 ( 2.582 2.159 3.960) 5.198 2.668 ( -1.997 -2.261 2.580) 3.969 2.708 ( 0.057 2.998 2.639) 3.995 2.792 ( 0.457 5.511 -0.381) 5.543 2.832 ( -3.184 2.183 0.411) 3.882 2.958 ( -1.312 0.432 -8.713) 8.822 3.020 ( 0.911 0.697 -8.086) 8.167 3.158 ( -3.102 -3.025 -0.769) 4.401 3.233 ( -2.979 2.104 -2.623) 4.492 3.291 ( 5.079 -1.849 -9.953) 11.326 3.307 ( -0.912 5.001 -3.462) 6.151 3.348 ( -0.521 4.603 1.538) 4.881 3.413 ( -2.013 7.665 -1.090) 8.000 3.466 ( 1.987 4.420 -3.429) 5.937 3.514 ( 0.999 6.109 -3.765) 7.245 3.552 ( -2.305 5.165 -7.012) 9.009 3.600 ( -2.156 6.932 -0.706) 7.294 3.687 ( 2.640 7.749 -1.836) 8.390 3.699 ( 0.774 3.042 0.105) 3.141 3.739 ( 2.360 5.661 -1.926) 6.429 3.803 ( 3.907 4.743 -3.295) 6.973 3.911 ( 6.990 1.076 -6.209) 9.411 3.987 ( -1.393 6.843 -1.759) 7.201 4.038 ( -1.436 3.933 -0.537) 4.221 4.092 ( 1.379 3.162 -1.769) 3.877 4.129 ( 1.428 7.433 -2.001) 7.829 4.178 ( -0.830 3.092 -0.764) 3.291 4.366 ( -2.876 4.092 -6.593) 8.275 4.445 ( 4.455 2.366 7.926) 9.395 4.633 ( 0.866 -3.349 0.787) 3.547 4.830 ( -1.811 -5.090 14.070) 15.071 5.130 ( -10.753 -11.983 5.161) 16.908 5.611 ( 3.494 -6.997 2.157) 8.113 5.719 ( 2.436 -9.802 -1.929) 10.283 5.749 ( 0.504 -11.446 1.471) 11.551 5.823 ( -0.124 -8.682 -0.921) 8.732 6.107 ( 0.310 7.509 1.104) 7.596 6.181 ( -0.947 10.734 -1.717) 10.911 6.280 ( -1.080 12.894 2.513) 13.181 6.354 ( -2.472 12.522 -0.593) 12.777 6.454 ( 1.123 -3.016 2.328) 3.972 6.535 ( -1.358 -4.274 -1.294) 4.668 6.602 ( 0.051 -3.930 1.747) 4.301 6.613 ( 0.880 -4.957 2.065) 5.442 6.688 ( 1.664 3.141 5.076) 6.197 6.763 ( -0.420 3.406 4.309) 5.508 6.970 ( 0.629 1.686 -5.106) 5.414 7.019 ( -0.416 0.788 -5.171) 5.247 7.465 ( 2.136 -1.697 -1.295) 3.020 7.603 ( 2.565 -5.757 -3.873) 7.398 7.766 ( -3.359 -5.030 6.032) 8.542 7.973 ( -0.963 -6.059 -5.290) 8.101 8.178 ( 0.258 -6.705 -0.388) 6.721 8.190 ( 2.753 -8.472 1.955) 9.120 8.328 ( -3.856 -5.167 1.237) 6.565 8.380 ( -1.230 -6.724 0.437) 6.850 8.550 ( -0.099 1.208 -0.980) 1.559 8.559 ( 0.144 3.886 -1.181) 4.064 8.638 ( 2.530 5.958 0.467) 6.490 8.775 ( 1.075 5.094 -6.158) 8.064 8.937 ( 2.385 -3.328 1.986) 4.550 8.996 ( -1.033 -2.226 2.639) 3.603 9.043 ( -2.351 -6.235 0.589) 6.689 9.155 ( 1.169 -3.266 -3.280) 4.774 9.231 ( 1.614 0.041 0.480) 1.684 9.261 ( 0.141 1.805 -2.186) 2.838 9.289 ( -0.399 2.332 -1.427) 2.763 9.339 ( -0.182 -0.542 -2.289) 2.360 9.515 ( -1.401 5.051 4.257) 6.752 9.584 ( -0.503 -0.533 0.894) 1.156 9.633 ( 3.226 -2.460 2.775) 4.915 9.740 ( 2.678 1.912 -2.968) 4.432 9.798 ( -1.296 -3.197 -0.453) 3.479 9.852 ( 0.556 -0.069 -2.721) 2.778 9.882 ( 1.878 5.808 1.433) 6.270 9.945 ( 2.935 5.254 0.820) 6.074 9.988 ( 0.566 5.202 -0.054) 5.233 10.057 ( 3.812 2.336 -1.294) 4.654 10.172 ( -4.877 -2.822 9.306) 10.879 10.245 ( -1.703 1.604 2.540) 3.454 10.717 ( 0.489 -1.228 1.398) 1.924 10.745 ( 0.701 -0.591 0.913) 1.294 10.775 ( 0.755 -2.379 1.037) 2.703 10.801 ( 2.115 1.313 -0.908) 2.650 10.902 ( -0.951 1.291 0.005) 1.603 10.942 ( 0.349 2.999 -1.972) 3.606 11.159 ( -1.379 3.125 0.404) 3.439 11.172 ( -0.811 3.693 -0.037) 3.781 11.335 ( 0.722 -0.661 0.589) 1.143 11.401 ( -0.281 -1.346 -2.549) 2.896 11.561 ( 1.615 -1.488 2.228) 3.128 11.595 ( 0.957 -2.399 1.893) 3.203 11.839 ( 3.385 5.030 0.216) 6.067 11.862 ( 4.128 4.187 -0.737) 5.926 12.270 ( -7.726 2.637 2.886) 8.659 12.347 ( -8.545 4.545 -0.526) 9.693 12.468 ( -7.794 -8.662 15.328) 19.254 12.724 ( -9.099 -7.234 6.393) 13.266 13.021 ( 1.250 -11.298 -0.422) 11.375 13.107 ( 7.994 7.539 1.954) 11.160 13.166 ( 6.320 10.866 -1.095) 12.618 13.511 ( -7.970 -3.543 -11.689) 14.584 13.560 ( -0.113 -1.380 0.967) 1.689 13.644 ( -2.169 8.791 -1.571) 9.190 14.335 ( 4.673 4.113 7.202) 9.519 14.450 ( 3.675 -4.648 4.304) 7.323 15.223 ( -4.038 3.112 -12.004) 13.042 15.290 ( -4.911 -8.580 -9.027) 13.387 15.520 ( 2.983 -3.156 0.505) 4.372 15.563 ( 2.186 -3.991 -1.341) 4.744 15.673 ( -0.789 -2.685 1.148) 3.024 15.695 ( -0.932 -0.744 -0.276) 1.224 ======================= Grid point 52 (21/45) ======================= q-point: ( 0.40 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 15.442 4.608 9.580) 18.747 1.160 ( 12.204 6.844 14.974) 20.494 1.403 ( -11.275 6.584 2.054) 13.218 1.436 ( -8.184 7.209 10.426) 15.088 1.611 ( 5.459 2.646 -4.253) 7.409 1.672 ( 6.211 6.854 4.022) 10.086 1.712 ( 2.922 6.426 0.491) 7.076 1.784 ( -1.906 5.680 -1.748) 6.241 1.869 ( 2.462 -0.119 0.913) 2.629 1.907 ( -2.098 5.020 1.369) 5.610 1.975 ( 2.412 5.138 2.149) 6.069 2.045 ( 1.014 1.079 0.274) 1.506 2.097 ( -1.623 3.779 -1.393) 4.342 2.169 ( -5.835 5.591 -5.117) 9.565 2.218 ( -0.365 2.510 -0.580) 2.602 2.271 ( -3.591 4.391 0.858) 5.737 2.358 ( 3.183 2.624 3.469) 5.390 2.364 ( 0.787 3.841 6.714) 7.775 2.423 ( 1.364 7.530 3.218) 8.301 2.550 ( 0.312 -1.156 4.415) 4.574 2.598 ( -5.681 3.660 2.829) 7.326 2.633 ( -6.286 2.353 3.112) 7.399 2.709 ( 2.219 3.114 1.600) 4.145 2.747 ( -1.743 4.620 2.386) 5.484 2.821 ( 2.122 2.023 -2.546) 3.882 2.888 ( -4.109 1.979 -3.988) 6.059 3.062 ( 2.835 -3.268 -8.176) 9.250 3.111 ( -1.867 -4.915 -3.708) 6.434 3.203 ( 0.181 4.327 -1.388) 4.547 3.242 ( -3.059 7.288 -0.124) 7.905 3.341 ( -0.516 7.332 -4.262) 8.496 3.346 ( -0.313 4.278 -2.783) 5.114 3.431 ( 2.304 0.204 -8.428) 8.739 3.466 ( -2.005 8.955 -8.014) 12.184 3.512 ( 0.800 4.260 -8.468) 9.513 3.533 ( -0.061 2.583 -5.054) 5.676 3.625 ( 3.635 5.054 0.384) 6.237 3.693 ( -1.828 2.022 -1.257) 3.001 3.752 ( 2.656 6.645 1.332) 7.279 3.779 ( 0.704 5.858 0.577) 5.929 3.876 ( 3.264 2.130 0.398) 3.918 3.950 ( -3.269 -0.617 -1.268) 3.560 4.006 ( 2.786 5.767 -2.394) 6.837 4.056 ( 1.312 4.984 -4.384) 6.766 4.113 ( 2.065 1.536 -0.729) 2.675 4.143 ( 0.017 3.350 0.148) 3.354 4.178 ( 1.614 4.901 -2.232) 5.622 4.272 ( -5.878 0.805 -4.805) 7.635 4.548 ( 4.919 -0.349 5.982) 7.753 4.626 ( -2.215 -2.481 4.914) 5.933 4.829 ( 2.582 -5.507 7.081) 9.335 4.936 ( -7.500 -8.228 5.660) 12.489 5.690 ( 3.680 -9.279 1.797) 10.143 5.743 ( -1.183 -10.962 1.435) 11.118 5.777 ( 2.543 -8.981 -1.114) 9.401 5.815 ( -0.985 -8.539 -0.803) 8.633 6.119 ( 1.054 9.115 0.937) 9.223 6.151 ( -1.854 9.960 0.057) 10.131 6.272 ( 0.432 12.820 1.295) 12.892 6.299 ( -2.265 13.159 0.236) 13.355 6.475 ( 1.039 -3.559 0.787) 3.790 6.501 ( -1.576 -3.955 -0.483) 4.285 6.609 ( 0.559 -4.702 2.888) 5.547 6.619 ( -0.257 -5.290 3.290) 6.235 6.723 ( 1.559 3.430 4.631) 5.970 6.749 ( -0.931 3.477 4.308) 5.614 6.988 ( 0.977 1.351 -4.889) 5.165 7.007 ( -0.791 1.057 -4.933) 5.106 7.521 ( 3.363 -2.888 -1.717) 4.754 7.595 ( -3.224 -5.064 -1.566) 6.204 7.773 ( 4.267 -2.803 -0.862) 5.178 7.890 ( -6.030 -4.015 -5.197) 8.915 8.200 ( 1.888 -7.698 0.742) 7.961 8.236 ( -0.297 -9.832 0.454) 9.847 8.286 ( 1.173 -5.230 2.037) 5.734 8.339 ( -2.650 -7.325 0.576) 7.811 8.550 ( 0.129 2.675 -0.621) 2.749 8.555 ( -0.343 3.554 -0.560) 3.614 8.695 ( 2.972 8.018 -0.010) 8.551 8.756 ( -2.617 7.840 -2.101) 8.528 8.992 ( 2.027 -3.767 0.403) 4.297 9.002 ( 1.470 -5.823 0.758) 6.054 9.033 ( 1.222 -5.824 0.373) 5.963 9.105 ( -4.361 -4.784 -2.904) 7.094 9.263 ( 1.463 1.498 -0.275) 2.112 9.281 ( -0.284 -0.699 0.490) 0.900 9.302 ( 2.097 2.043 -1.632) 3.351 9.332 ( -0.662 1.810 -1.879) 2.692 9.495 ( -0.063 5.925 2.743) 6.529 9.527 ( -3.049 4.177 1.553) 5.400 9.718 ( 3.147 -3.666 2.510) 5.444 9.759 ( -1.146 -1.498 2.531) 3.156 9.811 ( 2.339 -2.751 -4.951) 6.128 9.849 ( -1.066 -1.162 -4.207) 4.493 9.935 ( 2.720 3.704 3.862) 6.002 9.974 ( -0.627 4.444 3.163) 5.491 10.025 ( 2.899 7.957 -1.126) 8.543 10.076 ( -2.203 6.205 3.380) 7.402 10.152 ( 2.702 -2.610 0.970) 3.880 10.203 ( -2.245 -0.916 2.182) 3.262 10.734 ( 0.981 -1.474 1.088) 2.079 10.748 ( -0.292 -1.075 0.875) 1.417 10.799 ( 1.594 -2.612 -0.318) 3.076 10.827 ( -0.447 -2.221 -1.849) 2.924 10.905 ( 1.496 4.487 1.070) 4.849 10.937 ( -1.015 4.500 -0.583) 4.650 11.137 ( -0.330 2.621 -0.115) 2.644 11.149 ( -1.189 3.284 -0.326) 3.508 11.359 ( 1.425 -0.691 -0.836) 1.791 11.386 ( -1.093 -0.821 -2.096) 2.502 11.594 ( 1.151 -2.237 2.617) 3.630 11.606 ( 0.033 -2.458 2.341) 3.395 11.942 ( 6.496 4.974 0.522) 8.198 11.982 ( 7.329 4.720 -0.900) 8.764 12.100 ( -8.366 4.640 1.198) 9.641 12.157 ( -9.227 4.719 -0.746) 10.390 12.412 ( 1.934 -5.627 8.975) 10.768 12.524 ( -8.540 -6.507 5.341) 11.992 13.052 ( 3.368 -9.061 -0.672) 9.690 13.166 ( -5.511 -6.155 -2.593) 8.659 13.325 ( 9.386 12.638 1.028) 15.776 13.434 ( 3.152 11.902 -3.154) 12.710 13.503 ( -5.617 10.000 1.066) 11.519 13.555 ( -5.574 14.732 -0.694) 15.767 14.441 ( 4.471 -4.785 4.996) 8.237 14.491 ( -0.153 -7.779 4.151) 8.819 15.174 ( -0.397 -6.472 -9.725) 11.688 15.204 ( -3.051 -9.915 -8.562) 13.451 15.580 ( 2.549 -3.429 0.544) 4.307 15.606 ( 1.036 -3.568 -0.736) 3.788 15.652 ( -0.551 -3.325 0.932) 3.497 15.671 ( -1.403 -2.445 -0.118) 2.821 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 18.486 8.008) 20.146 1.063 ( 0.000 19.418 7.688) 20.884 1.429 ( 0.000 8.314 -12.340) 14.879 1.692 ( 0.000 6.956 -15.725) 17.195 1.708 ( 0.000 6.515 8.926) 11.051 1.853 ( 0.000 9.115 13.742) 16.490 1.909 ( 0.000 5.546 5.233) 7.625 1.937 ( 0.000 -7.146 -2.050) 7.434 1.985 ( 0.000 11.069 12.448) 16.657 2.003 ( 0.000 -2.948 0.583) 3.005 2.044 ( 0.000 5.424 3.821) 6.635 2.142 ( 0.000 10.688 -0.658) 10.708 2.171 ( 0.000 8.920 -1.589) 9.060 2.254 ( 0.000 -1.008 -3.951) 4.078 2.267 ( 0.000 -1.742 0.258) 1.761 2.338 ( 0.000 4.697 -1.010) 4.804 2.364 ( 0.000 2.932 2.346) 3.755 2.465 ( 0.000 -2.910 0.671) 2.986 2.532 ( 0.000 5.306 0.742) 5.358 2.569 ( 0.000 -5.264 5.112) 7.338 2.663 ( 0.000 11.089 5.591) 12.419 2.691 ( 0.000 9.499 -1.019) 9.554 2.724 ( 0.000 -0.033 2.300) 2.300 2.882 ( 0.000 1.729 1.751) 2.460 2.930 ( 0.000 1.768 -0.980) 2.021 3.028 ( 0.000 6.634 -7.201) 9.790 3.085 ( 0.000 3.540 -5.334) 6.402 3.120 ( 0.000 -3.843 4.496) 5.914 3.197 ( 0.000 1.968 -15.019) 15.147 3.300 ( 0.000 -0.658 -5.848) 5.885 3.373 ( 0.000 5.616 0.608) 5.649 3.492 ( 0.000 2.885 1.851) 3.428 3.543 ( 0.000 3.417 -4.349) 5.530 3.606 ( 0.000 9.672 0.291) 9.676 3.645 ( 0.000 9.076 -0.175) 9.077 3.677 ( 0.000 3.578 0.329) 3.594 3.697 ( 0.000 2.813 3.358) 4.381 3.799 ( 0.000 7.204 0.686) 7.236 3.841 ( 0.000 10.337 0.828) 10.370 3.869 ( 0.000 6.966 -1.598) 7.148 3.886 ( 0.000 7.244 0.319) 7.251 4.030 ( 0.000 11.846 -8.417) 14.532 4.066 ( 0.000 2.226 -4.826) 5.315 4.148 ( 0.000 5.720 -3.972) 6.963 4.214 ( 0.000 7.465 3.645) 8.307 4.290 ( 0.000 8.080 -2.705) 8.521 4.297 ( 0.000 10.019 -0.731) 10.046 4.520 ( 0.000 9.922 4.367) 10.840 4.536 ( 0.000 -4.458 1.098) 4.591 4.585 ( 0.000 9.957 -7.302) 12.348 4.724 ( 0.000 -6.317 11.480) 13.104 4.995 ( 0.000 -12.006 -0.765) 12.030 5.422 ( 0.000 -7.906 0.422) 7.918 5.474 ( 0.000 -10.535 -1.355) 10.622 5.536 ( 0.000 -8.910 2.307) 9.203 5.656 ( 0.000 -8.072 -1.839) 8.279 6.259 ( 0.000 7.244 1.610) 7.421 6.355 ( 0.000 -3.558 3.018) 4.665 6.397 ( 0.000 0.732 -3.330) 3.409 6.449 ( 0.000 3.281 -2.427) 4.081 6.480 ( 0.000 -6.950 1.411) 7.091 6.505 ( 0.000 -5.790 0.988) 5.873 6.556 ( 0.000 11.839 2.531) 12.107 6.627 ( 0.000 10.339 -0.278) 10.343 6.758 ( 0.000 6.112 3.418) 7.003 6.857 ( 0.000 5.612 3.300) 6.510 6.998 ( 0.000 1.190 -5.047) 5.185 7.041 ( 0.000 1.153 -3.712) 3.886 7.407 ( 0.000 -1.408 1.262) 1.891 7.465 ( 0.000 -4.665 -1.370) 4.862 7.660 ( 0.000 -6.984 5.640) 8.977 7.832 ( 0.000 -8.993 -2.564) 9.351 8.012 ( 0.000 -4.987 1.092) 5.105 8.079 ( 0.000 -4.747 -4.196) 6.335 8.259 ( 0.000 -6.496 -0.282) 6.502 8.265 ( 0.000 -6.325 0.708) 6.364 8.505 ( 0.000 -4.951 -0.052) 4.952 8.567 ( 0.000 -2.133 -2.133) 3.016 8.660 ( 0.000 -0.954 3.239) 3.377 8.840 ( 0.000 0.713 -5.076) 5.126 8.873 ( 0.000 0.892 -0.616) 1.084 8.879 ( 0.000 -6.480 0.948) 6.549 9.033 ( 0.000 -0.642 -3.954) 4.005 9.067 ( 0.000 -3.044 -3.003) 4.276 9.143 ( 0.000 -3.640 0.985) 3.771 9.234 ( 0.000 -4.999 -2.425) 5.556 9.358 ( 0.000 -1.297 1.159) 1.740 9.365 ( 0.000 2.957 2.047) 3.597 9.456 ( 0.000 -0.691 3.312) 3.383 9.556 ( 0.000 -2.106 5.031) 5.454 9.654 ( 0.000 -0.117 4.243) 4.244 9.687 ( 0.000 -5.791 0.773) 5.843 9.856 ( 0.000 8.476 -2.668) 8.885 9.893 ( 0.000 7.325 -0.749) 7.364 10.027 ( 0.000 7.550 1.018) 7.618 10.032 ( 0.000 4.633 2.949) 5.492 10.088 ( 0.000 9.459 -0.596) 9.478 10.109 ( 0.000 6.491 0.610) 6.520 10.237 ( 0.000 4.958 7.503) 8.993 10.404 ( 0.000 9.401 -2.225) 9.660 10.702 ( 0.000 -0.321 1.092) 1.138 10.722 ( 0.000 -1.998 0.862) 2.176 10.739 ( 0.000 1.254 -0.943) 1.569 10.803 ( 0.000 1.131 -4.507) 4.647 10.950 ( 0.000 2.370 1.326) 2.716 10.989 ( 0.000 3.366 -1.573) 3.715 11.256 ( 0.000 3.401 -1.038) 3.556 11.263 ( 0.000 4.036 -0.916) 4.139 11.326 ( 0.000 1.264 0.802) 1.497 11.363 ( 0.000 -1.563 -1.918) 2.474 11.526 ( 0.000 -1.053 1.676) 1.979 11.533 ( 0.000 -2.270 2.494) 3.372 11.931 ( 0.000 7.427 -0.249) 7.431 11.936 ( 0.000 7.891 -0.324) 7.898 12.187 ( 0.000 -12.799 13.880) 18.881 12.562 ( 0.000 3.383 -2.761) 4.366 12.619 ( 0.000 11.156 2.381) 11.408 12.688 ( 0.000 -9.073 9.551) 13.173 12.714 ( 0.000 -8.864 -1.566) 9.001 13.138 ( 0.000 -2.877 -2.586) 3.868 13.370 ( 0.000 -1.294 -2.152) 2.511 13.417 ( 0.000 7.020 0.035) 7.020 13.448 ( 0.000 -7.379 -8.203) 11.034 13.534 ( 0.000 -4.080 -4.896) 6.373 14.259 ( 0.000 -11.913 10.720) 16.026 14.568 ( 0.000 13.524 3.248) 13.908 15.068 ( 0.000 -14.095 -1.828) 14.213 15.359 ( 0.000 -1.294 -4.986) 5.151 15.419 ( 0.000 -4.146 0.034) 4.146 15.508 ( 0.000 -1.608 -5.871) 6.087 15.625 ( 0.000 -3.064 1.688) 3.498 15.729 ( 0.000 0.639 -5.694) 5.729 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.20 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 5.429 14.625 7.451) 17.288 1.176 ( 9.060 17.408 8.750) 21.486 1.491 ( 4.910 6.427 -11.680) 14.207 1.672 ( -5.367 1.535 3.236) 6.452 1.706 ( 1.025 6.172 -10.487) 12.212 1.826 ( -2.164 8.600 9.678) 13.126 1.865 ( -3.229 -0.376 3.430) 4.726 1.883 ( -4.649 2.070 2.020) 5.476 1.955 ( 1.015 13.769 10.624) 17.420 2.016 ( 0.994 0.980 3.224) 3.513 2.079 ( 1.405 4.547 -0.531) 4.789 2.142 ( -1.135 5.165 1.869) 5.609 2.177 ( 0.081 4.040 -1.278) 4.238 2.246 ( -1.016 0.866 -2.880) 3.174 2.305 ( 3.112 7.902 2.029) 8.732 2.333 ( -0.355 0.709 -0.929) 1.221 2.368 ( 1.814 1.124 0.697) 2.245 2.438 ( -0.102 2.974 2.177) 3.687 2.547 ( -1.086 -0.150 5.003) 5.121 2.567 ( 0.727 2.734 2.044) 3.490 2.652 ( -0.089 10.001 -5.119) 11.235 2.732 ( 1.887 5.113 1.604) 5.681 2.761 ( 2.742 2.262 5.652) 6.677 2.901 ( 0.921 1.264 2.037) 2.568 2.910 ( -1.801 4.195 0.517) 4.595 2.981 ( -2.565 2.208 -6.650) 7.462 3.046 ( -2.127 0.860 -2.972) 3.754 3.144 ( 0.228 2.211 0.192) 2.231 3.227 ( 1.001 0.225 -11.509) 11.555 3.291 ( -2.261 2.745 0.277) 3.567 3.335 ( 0.076 -0.402 -4.570) 4.588 3.479 ( -4.510 3.975 -1.658) 6.236 3.538 ( 3.418 4.808 -1.989) 6.226 3.592 ( -1.335 9.673 -1.197) 9.838 3.665 ( 0.692 7.604 -0.830) 7.680 3.712 ( 3.294 7.039 1.052) 7.843 3.741 ( 0.030 2.809 2.048) 3.477 3.771 ( 0.687 7.408 -1.222) 7.539 3.818 ( 0.058 6.978 -0.997) 7.049 3.860 ( 2.122 9.496 1.537) 9.851 3.970 ( 3.244 6.176 0.831) 7.026 4.010 ( -2.142 8.364 -7.042) 11.142 4.051 ( -1.412 3.395 -2.410) 4.396 4.149 ( 0.293 8.550 -4.620) 9.723 4.215 ( -0.976 6.269 2.113) 6.687 4.248 ( -0.386 4.321 -1.009) 4.454 4.318 ( -0.151 11.626 -2.816) 11.963 4.504 ( -2.986 7.363 0.251) 7.949 4.542 ( -1.105 4.664 1.804) 5.121 4.562 ( 1.053 0.289 0.427) 1.172 4.722 ( -0.251 -4.228 6.941) 8.132 4.896 ( -7.272 -10.187 0.698) 12.535 5.447 ( 2.127 -8.846 1.255) 9.184 5.519 ( 2.981 -10.037 -1.056) 10.524 5.543 ( 1.125 -8.759 1.787) 9.010 5.660 ( 0.187 -7.926 -1.882) 8.148 6.272 ( 1.239 7.666 1.640) 7.937 6.358 ( 0.088 -2.883 1.896) 3.451 6.390 ( -0.542 -0.530 -1.899) 2.044 6.431 ( -1.565 4.033 -1.395) 4.545 6.482 ( -0.077 -6.899 1.968) 7.174 6.498 ( -0.704 -6.225 1.282) 6.394 6.538 ( -1.065 10.487 1.916) 10.714 6.609 ( -1.886 11.107 -0.838) 11.297 6.776 ( 1.620 5.599 3.285) 6.690 6.853 ( -0.410 5.576 3.184) 6.434 7.001 ( 0.375 1.129 -4.817) 4.962 7.038 ( -0.335 1.082 -3.788) 3.953 7.426 ( 1.356 -1.975 0.055) 2.396 7.480 ( 1.069 -5.720 -0.863) 5.882 7.660 ( 0.404 -5.437 4.492) 7.064 7.827 ( -0.909 -8.945 -2.738) 9.398 8.031 ( 1.485 -5.384 0.153) 5.587 8.080 ( 0.045 -4.624 -4.310) 6.321 8.220 ( -2.662 -5.433 0.602) 6.080 8.251 ( -1.454 -6.115 0.270) 6.291 8.522 ( 1.476 -4.432 0.065) 4.671 8.578 ( 0.531 -2.710 -1.334) 3.067 8.694 ( 3.040 -1.087 1.836) 3.714 8.837 ( -0.172 -1.220 -3.511) 3.721 8.881 ( 0.590 -3.888 0.874) 4.028 8.902 ( 2.140 -0.326 -0.889) 2.340 8.997 ( -2.799 0.647 -1.967) 3.481 9.051 ( -1.562 -4.631 -2.888) 5.676 9.179 ( 2.569 -3.056 0.417) 4.015 9.235 ( 0.211 -3.715 -1.621) 4.059 9.336 ( -0.253 1.088 0.691) 1.314 9.379 ( 0.112 -0.583 -0.650) 0.880 9.502 ( 2.959 -0.723 4.868) 5.742 9.575 ( 1.245 -2.603 5.487) 6.200 9.649 ( 0.052 -0.222 2.667) 2.676 9.692 ( 0.480 -4.223 0.046) 4.250 9.846 ( -0.487 6.119 -0.818) 6.193 9.891 ( -0.479 7.955 -0.106) 7.970 9.999 ( -0.650 5.755 2.030) 6.137 10.054 ( 0.500 3.851 2.191) 4.459 10.128 ( 3.197 8.163 -0.922) 8.815 10.147 ( 3.288 9.289 -1.510) 9.969 10.223 ( -0.831 6.663 6.988) 9.691 10.373 ( -2.608 9.566 -1.010) 9.966 10.696 ( -0.108 -0.802 0.963) 1.258 10.722 ( 0.019 -1.947 1.077) 2.225 10.747 ( 0.371 0.204 -1.163) 1.237 10.806 ( -0.277 -0.191 -4.328) 4.341 10.960 ( 1.692 4.366 1.239) 4.843 11.012 ( 1.736 3.700 -1.950) 4.529 11.227 ( -2.199 3.096 -0.604) 3.846 11.260 ( -0.758 4.441 -1.488) 4.745 11.326 ( 0.428 0.036 0.194) 0.471 11.377 ( 0.482 -0.736 -2.130) 2.305 11.530 ( 0.673 -1.586 2.797) 3.285 11.544 ( 0.677 -2.385 2.587) 3.583 11.971 ( 3.401 7.594 -0.236) 8.324 11.978 ( 4.381 7.517 -0.533) 8.717 12.168 ( -0.845 -9.264 10.394) 13.949 12.466 ( -8.694 4.235 -1.576) 9.798 12.508 ( -7.954 8.480 1.402) 11.711 12.553 ( -8.664 -6.039 3.309) 11.067 12.783 ( 2.882 -10.953 2.418) 11.581 13.129 ( -4.382 -10.020 -5.453) 12.220 13.406 ( 5.287 -3.907 0.886) 6.633 13.433 ( 5.620 6.371 0.847) 8.537 13.576 ( 8.198 7.755 -5.360) 12.493 13.663 ( 8.832 -3.998 -4.910) 10.867 14.268 ( 1.001 -11.746 9.444) 15.105 14.522 ( -4.175 12.158 4.158) 13.511 15.012 ( -4.255 -14.342 -3.001) 15.258 15.311 ( -8.581 2.555 -11.239) 14.369 15.441 ( 2.317 -4.446 0.499) 5.039 15.478 ( 0.258 -4.128 -0.866) 4.226 15.608 ( -1.511 -3.601 1.546) 4.200 15.672 ( -3.682 -1.749 -1.818) 4.463 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.40 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 11.082 7.507 6.323) 14.803 1.342 ( 1.470 9.674 10.219) 14.148 1.504 ( -4.033 5.489 1.296) 6.934 1.574 ( -0.269 5.606 -3.692) 6.718 1.676 ( -1.935 4.803 2.693) 5.837 1.735 ( -4.244 0.324 1.748) 4.601 1.852 ( 0.604 3.745 1.368) 4.032 1.864 ( -0.073 3.722 -5.301) 6.478 2.003 ( 3.222 9.885 2.537) 10.701 2.028 ( 0.490 4.482 0.435) 4.529 2.074 ( -2.014 3.008 -1.782) 4.035 2.090 ( -1.387 5.341 -0.322) 5.528 2.210 ( 2.920 5.527 5.741) 8.487 2.261 ( 1.732 2.307 1.529) 3.265 2.303 ( -0.502 0.663 3.715) 3.807 2.334 ( -2.051 7.624 0.379) 7.904 2.420 ( 0.620 4.107 -0.723) 4.216 2.450 ( 1.527 3.082 -0.463) 3.471 2.556 ( -0.479 1.894 1.492) 2.459 2.573 ( 0.112 3.765 0.242) 3.775 2.657 ( 3.986 9.929 -1.615) 10.821 2.760 ( -1.010 4.112 0.731) 4.297 2.807 ( 1.408 6.852 5.146) 8.684 2.838 ( -2.429 5.223 1.174) 5.879 2.913 ( 0.032 3.739 2.830) 4.690 2.942 ( -1.776 1.173 -0.414) 2.168 3.024 ( -0.220 -1.238 -1.265) 1.784 3.065 ( -5.207 5.798 -2.994) 8.349 3.249 ( 3.196 0.369 -3.066) 4.444 3.316 ( 1.695 -3.853 -8.006) 9.046 3.339 ( -1.249 -1.173 -3.431) 3.835 3.371 ( -3.689 1.960 -2.737) 4.994 3.583 ( 1.173 10.744 -1.379) 10.895 3.612 ( 0.869 7.948 -2.173) 8.285 3.687 ( 1.527 8.156 -4.140) 9.273 3.708 ( 0.898 11.214 -0.958) 11.291 3.746 ( -0.436 4.770 -0.330) 4.801 3.771 ( -2.570 6.623 1.617) 7.286 3.866 ( 3.642 5.078 -1.451) 6.415 3.927 ( -0.475 9.045 -1.428) 9.169 3.971 ( 1.050 4.792 0.574) 4.939 3.996 ( -0.682 7.740 2.175) 8.068 4.048 ( 3.285 -0.446 -0.482) 3.350 4.156 ( -4.424 -0.837 0.387) 4.519 4.178 ( 2.521 10.093 -5.169) 11.616 4.243 ( -2.604 7.940 -5.378) 9.937 4.325 ( 2.539 9.777 0.117) 10.102 4.405 ( -4.839 10.606 -0.825) 11.687 4.553 ( 1.139 0.676 4.674) 4.858 4.572 ( -0.375 -2.127 3.947) 4.499 4.724 ( 0.892 -3.631 2.183) 4.330 4.773 ( -4.081 -6.458 1.103) 7.719 5.496 ( 2.239 -9.615 1.972) 10.067 5.529 ( -0.857 -9.864 1.920) 10.086 5.610 ( 3.377 -8.319 -1.669) 9.132 5.655 ( -0.964 -7.888 -1.996) 8.194 6.307 ( 2.056 8.002 1.074) 8.331 6.347 ( -1.412 3.309 -0.206) 3.603 6.383 ( 0.083 -3.118 0.740) 3.206 6.397 ( -1.319 0.998 0.804) 1.839 6.477 ( -0.173 -5.816 2.486) 6.327 6.482 ( -0.642 -6.542 2.055) 6.887 6.532 ( 0.542 8.749 0.160) 8.767 6.561 ( -2.217 10.544 -0.735) 10.800 6.812 ( 1.656 5.361 2.922) 6.327 6.840 ( -0.960 5.450 2.947) 6.269 7.013 ( 0.731 0.965 -4.342) 4.508 7.028 ( -0.639 0.955 -3.980) 4.143 7.456 ( 1.553 -3.351 0.208) 3.699 7.484 ( -0.879 -5.390 0.340) 5.471 7.698 ( 3.427 -4.645 0.696) 5.814 7.779 ( -3.664 -6.943 -2.148) 8.139 8.060 ( 1.316 -5.608 -1.803) 6.036 8.080 ( -0.324 -5.691 -3.439) 6.657 8.186 ( -0.135 -4.692 1.110) 4.823 8.211 ( -2.033 -5.639 0.283) 6.001 8.555 ( 1.462 -3.195 0.064) 3.514 8.577 ( -0.635 -2.558 -0.266) 2.649 8.767 ( 3.570 -1.929 -0.059) 4.058 8.823 ( -1.597 -3.117 -1.586) 3.845 8.902 ( 1.499 -1.653 0.675) 2.332 8.941 ( -2.097 0.337 -0.154) 2.130 8.952 ( 2.265 -1.501 -1.150) 2.950 9.004 ( -2.657 -3.944 -1.977) 5.150 9.223 ( 1.464 -2.629 0.097) 3.011 9.239 ( -0.146 -2.537 -0.442) 2.579 9.351 ( 1.359 0.423 -0.672) 1.574 9.374 ( -0.658 -0.445 -1.474) 1.675 9.543 ( 1.325 -0.440 5.564) 5.737 9.571 ( -1.334 -0.418 5.923) 6.086 9.679 ( 2.012 -2.431 0.223) 3.164 9.700 ( -0.033 -4.075 -1.240) 4.259 9.846 ( 0.401 4.985 0.169) 5.004 9.866 ( -1.535 7.035 0.990) 7.268 10.014 ( 1.797 4.648 2.667) 5.652 10.048 ( -1.082 3.611 2.480) 4.512 10.192 ( 1.882 8.048 -0.988) 8.324 10.210 ( -0.026 8.705 2.054) 8.945 10.226 ( 3.992 9.034 -0.151) 9.877 10.309 ( -3.563 10.110 -0.019) 10.719 10.704 ( 0.803 -1.525 0.723) 1.869 10.719 ( -0.462 -1.892 0.785) 2.100 10.757 ( 0.886 -1.109 -1.606) 2.143 10.784 ( -1.515 -1.584 -2.644) 3.434 11.009 ( 2.371 5.410 -0.027) 5.907 11.038 ( 0.054 5.315 -1.192) 5.447 11.196 ( 0.037 2.898 -0.636) 2.967 11.227 ( -2.173 4.107 -1.099) 4.775 11.345 ( 1.282 -0.590 -1.404) 1.991 11.370 ( -0.991 -0.609 -2.250) 2.533 11.548 ( 0.749 -2.057 3.262) 3.928 11.554 ( 0.178 -2.331 3.042) 3.837 12.070 ( 5.823 6.740 0.229) 8.910 12.100 ( 6.709 5.239 -0.293) 8.517 12.165 ( -0.475 -0.246 3.695) 3.733 12.271 ( -8.943 5.331 -0.214) 10.414 12.359 ( -4.860 3.547 2.233) 6.417 12.385 ( -6.362 -4.203 3.886) 8.558 12.850 ( 4.380 -10.966 -0.119) 11.808 12.980 ( -7.992 -11.518 -3.506) 14.451 13.536 ( 5.288 -2.708 2.057) 6.287 13.560 ( 3.644 5.594 2.118) 7.004 13.735 ( 6.234 10.302 -4.913) 13.005 13.789 ( 1.937 4.011 -5.424) 7.019 14.315 ( 3.874 -6.174 7.600) 10.530 14.417 ( -5.494 5.619 6.226) 10.026 14.955 ( 0.411 -12.685 -5.899) 13.996 15.073 ( -10.701 -2.392 -8.840) 14.084 15.496 ( 2.671 -4.723 0.497) 5.449 15.520 ( 1.913 -4.714 -0.634) 5.127 15.572 ( -1.179 -4.529 1.374) 4.877 15.606 ( -2.904 -4.031 -0.268) 4.975 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 17.151 4.870) 17.829 1.453 ( 0.000 19.176 0.785) 19.192 1.598 ( 0.000 7.177 -7.139) 10.123 1.740 ( 0.000 0.150 -1.829) 1.835 1.763 ( 0.000 -2.816 -4.827) 5.589 1.855 ( 0.000 2.084 -8.170) 8.432 1.917 ( 0.000 -2.380 -2.630) 3.547 1.958 ( 0.000 1.787 3.914) 4.302 1.976 ( 0.000 -1.946 2.981) 3.560 2.056 ( 0.000 6.802 4.046) 7.914 2.201 ( 0.000 0.884 3.204) 3.324 2.201 ( 0.000 -2.110 -2.222) 3.064 2.257 ( 0.000 5.453 6.866) 8.768 2.273 ( 0.000 1.486 2.048) 2.530 2.331 ( 0.000 -4.392 -0.874) 4.479 2.385 ( 0.000 3.502 4.110) 5.400 2.411 ( 0.000 -1.702 0.008) 1.702 2.479 ( 0.000 0.048 3.735) 3.735 2.564 ( 0.000 -2.249 -2.901) 3.670 2.657 ( 0.000 21.406 8.816) 23.150 2.688 ( 0.000 -2.507 1.348) 2.846 2.845 ( 0.000 -4.597 -0.252) 4.604 2.847 ( 0.000 -7.887 -2.966) 8.426 2.906 ( 0.000 9.242 -1.590) 9.378 2.959 ( 0.000 15.219 3.566) 15.631 3.106 ( 0.000 0.484 5.049) 5.072 3.124 ( 0.000 4.108 -1.503) 4.374 3.173 ( 0.000 5.174 -5.377) 7.462 3.249 ( 0.000 2.490 -5.275) 5.833 3.357 ( 0.000 4.327 -6.625) 7.912 3.487 ( 0.000 5.270 3.058) 6.093 3.531 ( 0.000 1.881 0.947) 2.106 3.638 ( 0.000 -1.098 -0.273) 1.131 3.641 ( 0.000 5.925 -2.944) 6.616 3.705 ( 0.000 0.076 5.339) 5.339 3.806 ( 0.000 8.600 3.017) 9.114 3.897 ( 0.000 7.943 -1.179) 8.030 3.903 ( 0.000 4.255 -0.993) 4.369 3.929 ( 0.000 0.897 -3.198) 3.322 3.982 ( 0.000 3.855 0.624) 3.905 4.076 ( 0.000 9.176 0.993) 9.229 4.177 ( 0.000 6.595 3.356) 7.400 4.191 ( 0.000 4.683 -2.747) 5.429 4.323 ( 0.000 9.716 -2.315) 9.988 4.354 ( 0.000 7.225 -0.698) 7.259 4.402 ( 0.000 -3.053 0.484) 3.091 4.404 ( 0.000 3.635 0.080) 3.636 4.557 ( 0.000 9.546 0.885) 9.587 4.660 ( 0.000 2.000 1.054) 2.260 4.737 ( 0.000 1.771 0.158) 1.779 4.781 ( 0.000 12.869 0.556) 12.881 4.841 ( 0.000 0.266 -9.125) 9.129 5.273 ( 0.000 -6.572 -1.066) 6.658 5.283 ( 0.000 -8.331 -1.024) 8.394 5.398 ( 0.000 -4.750 2.488) 5.362 5.507 ( 0.000 -6.761 -1.840) 7.007 6.226 ( 0.000 -5.055 0.828) 5.123 6.257 ( 0.000 -7.647 -1.049) 7.719 6.325 ( 0.000 -7.951 2.008) 8.201 6.374 ( 0.000 -7.224 0.550) 7.245 6.459 ( 0.000 8.523 2.767) 8.961 6.630 ( 0.000 7.682 -3.898) 8.614 6.758 ( 0.000 7.646 1.337) 7.762 6.768 ( 0.000 4.608 0.939) 4.703 6.908 ( 0.000 7.599 -0.398) 7.609 6.985 ( 0.000 6.843 2.206) 7.190 7.017 ( 0.000 1.171 -4.024) 4.191 7.074 ( 0.000 2.325 -1.569) 2.805 7.386 ( 0.000 -3.195 -0.027) 3.196 7.389 ( 0.000 -0.169 0.011) 0.169 7.537 ( 0.000 -5.469 2.987) 6.232 7.633 ( 0.000 -10.049 -1.016) 10.101 7.949 ( 0.000 -2.098 -0.357) 2.129 7.994 ( 0.000 -3.707 -3.791) 5.303 8.143 ( 0.000 -4.972 0.510) 4.998 8.146 ( 0.000 -5.419 1.205) 5.551 8.387 ( 0.000 -5.497 0.718) 5.544 8.494 ( 0.000 -4.117 -2.685) 4.915 8.590 ( 0.000 -4.726 2.136) 5.187 8.655 ( 0.000 -10.465 0.146) 10.466 8.920 ( 0.000 2.712 -1.742) 3.224 8.923 ( 0.000 2.634 -2.535) 3.656 9.039 ( 0.000 0.599 -5.105) 5.140 9.039 ( 0.000 -0.136 -3.428) 3.431 9.081 ( 0.000 -2.266 1.419) 2.674 9.144 ( 0.000 -4.065 -1.176) 4.231 9.311 ( 0.000 -2.647 -0.683) 2.734 9.315 ( 0.000 -3.651 -0.971) 3.778 9.506 ( 0.000 1.019 6.820) 6.895 9.507 ( 0.000 -2.587 7.731) 8.152 9.586 ( 0.000 -3.157 2.811) 4.227 9.611 ( 0.000 -2.136 4.629) 5.098 10.042 ( 0.000 6.476 2.741) 7.032 10.091 ( 0.000 10.117 1.305) 10.201 10.142 ( 0.000 5.777 1.749) 6.036 10.147 ( 0.000 8.047 0.982) 8.107 10.256 ( 0.000 7.700 0.828) 7.745 10.284 ( 0.000 8.483 1.487) 8.613 10.375 ( 0.000 7.477 5.477) 9.268 10.565 ( 0.000 4.933 -2.444) 5.505 10.690 ( 0.000 -0.832 0.089) 0.837 10.729 ( 0.000 3.599 -0.588) 3.647 10.768 ( 0.000 1.345 -2.540) 2.874 10.823 ( 0.000 0.679 -5.366) 5.409 11.032 ( 0.000 5.961 -1.011) 6.047 11.060 ( 0.000 3.937 -2.389) 4.605 11.285 ( 0.000 0.280 -3.425) 3.437 11.288 ( 0.000 -1.076 -4.471) 4.599 11.375 ( 0.000 2.043 1.631) 2.614 11.383 ( 0.000 2.851 1.121) 3.064 11.497 ( 0.000 -1.243 3.715) 3.918 11.498 ( 0.000 -1.963 3.069) 3.643 11.974 ( 0.000 -5.364 7.478) 9.203 12.110 ( 0.000 10.391 -0.203) 10.393 12.131 ( 0.000 9.185 -0.229) 9.188 12.400 ( 0.000 -12.158 -8.126) 14.623 12.501 ( 0.000 -8.703 5.812) 10.466 12.697 ( 0.000 -7.376 1.152) 7.465 12.899 ( 0.000 15.765 -0.162) 15.766 12.977 ( 0.000 -0.492 -4.796) 4.821 13.122 ( 0.000 -13.682 -0.108) 13.682 13.179 ( 0.000 -15.325 -2.100) 15.468 13.659 ( 0.000 7.372 0.084) 7.372 13.705 ( 0.000 9.530 -1.076) 9.591 13.997 ( 0.000 -10.908 8.617) 13.901 14.501 ( 0.000 -17.210 -11.646) 20.781 15.080 ( 0.000 12.758 9.143) 15.696 15.309 ( 0.000 -2.908 -1.251) 3.166 15.340 ( 0.000 -3.453 0.719) 3.527 15.475 ( 0.000 -1.491 -2.990) 3.342 15.567 ( 0.000 -2.540 1.788) 3.106 15.709 ( 0.000 -2.881 -4.996) 5.767 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 1.057 16.579 3.417) 16.960 1.519 ( 3.997 15.137 2.878) 15.918 1.623 ( 2.114 5.978 -4.730) 7.911 1.692 ( -4.264 3.342 -4.148) 6.823 1.737 ( -1.951 -2.384 -3.884) 4.957 1.865 ( 1.494 1.533 -4.583) 5.058 1.900 ( -0.088 -0.826 2.388) 2.529 1.958 ( -2.318 2.646 0.125) 3.520 2.018 ( 1.823 -2.413 -0.127) 3.027 2.045 ( 0.891 5.375 3.166) 6.302 2.144 ( -2.331 1.423 0.239) 2.742 2.225 ( -2.504 1.021 8.627) 9.041 2.243 ( -0.301 -0.396 -3.929) 3.960 2.298 ( -0.807 0.897 0.486) 1.301 2.321 ( 4.618 1.333 3.417) 5.898 2.380 ( 1.534 0.998 0.703) 1.961 2.435 ( 0.048 0.043 1.756) 1.757 2.500 ( -0.594 5.897 -0.808) 5.982 2.557 ( 2.157 -2.268 2.532) 4.026 2.641 ( 0.773 3.126 3.726) 4.925 2.783 ( 2.667 2.821 -1.303) 4.095 2.834 ( 0.894 -1.144 -3.258) 3.567 2.854 ( 1.078 -1.246 4.051) 4.373 2.907 ( -0.083 5.978 1.660) 6.205 2.934 ( -1.836 10.701 1.356) 10.941 3.059 ( -2.230 2.390 -1.438) 3.571 3.116 ( -3.629 4.874 -0.732) 6.121 3.182 ( 3.099 3.177 0.761) 4.503 3.268 ( 0.817 2.282 -4.161) 4.815 3.338 ( -1.501 3.056 -5.689) 6.630 3.421 ( -6.276 6.407 4.638) 10.098 3.510 ( -3.311 0.463 2.278) 4.045 3.657 ( 2.620 6.795 -4.320) 8.467 3.684 ( 3.589 -0.974 0.202) 3.724 3.721 ( 1.805 1.290 2.295) 3.192 3.823 ( 1.675 7.845 3.586) 8.787 3.869 ( -1.263 5.898 -1.240) 6.158 3.928 ( 0.101 2.743 -2.977) 4.049 3.953 ( 2.628 7.505 -0.643) 7.978 3.997 ( 1.078 1.462 0.818) 1.992 4.078 ( -0.076 6.604 -1.384) 6.748 4.155 ( -1.197 8.691 1.054) 8.836 4.190 ( -0.446 6.653 0.343) 6.677 4.314 ( -2.876 7.167 1.776) 7.924 4.348 ( -0.475 6.294 -1.198) 6.425 4.360 ( 0.494 4.524 -2.251) 5.077 4.453 ( 1.887 0.249 -0.821) 2.073 4.553 ( -0.632 8.056 1.867) 8.294 4.657 ( -0.060 3.811 2.123) 4.363 4.673 ( -5.207 0.926 -3.927) 6.587 4.767 ( -2.288 9.393 -0.858) 9.706 4.798 ( -2.437 4.343 -5.044) 7.088 5.282 ( 1.599 -7.201 0.376) 7.386 5.339 ( 3.716 -7.907 -1.578) 8.878 5.399 ( 0.197 -5.428 2.334) 5.912 5.510 ( 0.126 -6.913 -1.958) 7.186 6.230 ( 0.351 -5.377 0.621) 5.424 6.251 ( -0.461 -7.322 -0.759) 7.376 6.323 ( -0.195 -8.089 1.874) 8.306 6.358 ( -1.361 -7.430 0.776) 7.593 6.472 ( 1.325 8.753 2.560) 9.216 6.624 ( -0.807 8.509 -3.367) 9.186 6.716 ( -2.057 6.240 1.784) 6.809 6.779 ( -0.813 5.760 -0.574) 5.845 6.909 ( 0.489 7.146 0.152) 7.165 6.978 ( -0.674 6.597 2.008) 6.929 7.020 ( 0.308 1.208 -3.639) 3.847 7.067 ( -0.629 2.108 -1.705) 2.783 7.389 ( 0.270 -3.197 0.200) 3.215 7.395 ( 0.375 -1.208 0.085) 1.268 7.551 ( 1.377 -5.397 2.533) 6.119 7.635 ( -0.020 -9.759 -0.853) 9.797 7.964 ( 1.262 -1.888 -0.918) 2.450 8.001 ( 0.466 -3.078 -3.804) 4.915 8.122 ( -1.231 -4.339 0.805) 4.581 8.141 ( -0.924 -4.807 0.391) 4.910 8.405 ( 1.722 -5.698 0.679) 5.991 8.491 ( -0.228 -4.539 -1.931) 4.938 8.616 ( 2.147 -5.445 1.603) 6.068 8.669 ( 1.030 -9.999 0.201) 10.054 8.914 ( -0.137 2.547 -1.110) 2.782 8.935 ( 0.864 1.658 -2.316) 2.977 9.001 ( -2.440 -0.353 -1.602) 2.940 9.019 ( -1.608 0.700 -2.972) 3.451 9.131 ( 3.186 -1.631 -0.451) 3.607 9.164 ( 1.700 -3.177 -1.768) 4.013 9.308 ( -0.032 -3.078 -1.682) 3.508 9.317 ( 0.024 -3.355 -1.092) 3.529 9.505 ( 0.724 -1.031 7.094) 7.205 9.533 ( 1.518 -1.394 6.151) 6.487 9.601 ( 1.065 -2.882 3.024) 4.311 9.616 ( 0.329 -2.129 4.350) 4.854 10.034 ( -1.615 7.629 3.129) 8.403 10.060 ( -1.607 9.439 2.389) 9.868 10.114 ( -1.256 4.833 2.524) 5.595 10.152 ( 0.017 6.765 0.913) 6.826 10.291 ( 4.197 8.279 -0.261) 9.285 10.348 ( 3.214 8.849 -0.575) 9.433 10.384 ( 1.192 8.610 5.059) 10.057 10.548 ( -1.431 6.135 -1.915) 6.584 10.686 ( -0.382 -0.589 -0.363) 0.790 10.706 ( -1.323 1.885 0.771) 2.429 10.761 ( -0.653 0.891 -2.712) 2.928 10.810 ( -1.461 0.605 -4.684) 4.943 11.057 ( 1.941 4.653 -2.062) 5.447 11.092 ( 2.791 4.746 -2.421) 6.015 11.262 ( -1.787 0.518 -2.946) 3.485 11.297 ( 0.599 -0.299 -4.135) 4.189 11.364 ( -1.441 2.656 1.611) 3.425 11.381 ( -0.184 0.876 0.696) 1.134 11.503 ( 0.682 -1.039 3.611) 3.819 11.506 ( 0.753 -1.675 3.327) 3.800 11.982 ( 0.962 -4.678 6.023) 7.687 12.147 ( 2.064 7.607 -0.631) 7.907 12.170 ( 4.248 9.018 -0.039) 9.968 12.315 ( -5.595 -8.741 -3.583) 10.980 12.515 ( 0.124 -7.734 1.138) 7.818 12.649 ( -4.031 -5.749 0.976) 7.090 12.745 ( -9.565 12.985 2.167) 16.272 12.953 ( -5.244 0.899 -5.913) 7.954 13.157 ( 5.602 -13.395 2.387) 14.714 13.339 ( 11.527 -16.652 -5.096) 20.884 13.642 ( -1.571 1.973 2.557) 3.592 13.780 ( 3.361 -1.177 -1.991) 4.080 14.099 ( 10.371 1.323 6.656) 12.394 14.519 ( 3.098 -12.266 -10.022) 16.140 14.995 ( -8.099 12.889 8.882) 17.624 15.323 ( -1.145 -1.472 -3.963) 4.380 15.356 ( 1.604 -3.811 0.646) 4.185 15.421 ( -4.628 -1.046 -2.268) 5.259 15.537 ( -2.587 -3.480 1.481) 4.582 15.615 ( -6.688 -4.183 -2.185) 8.185 ======================= Grid point 62 (27/45) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 4.599 11.941 2.197) 12.983 1.485 ( -6.550 5.894 1.915) 9.018 1.645 ( 0.698 4.393 -6.284) 7.699 1.670 ( -0.385 3.658 -3.154) 4.845 1.744 ( 4.787 8.250 2.067) 9.759 1.865 ( -5.735 9.263 4.069) 11.629 1.880 ( 0.803 -0.392 3.294) 3.413 1.910 ( -1.188 -0.697 0.945) 1.670 2.041 ( 1.682 -1.753 1.319) 2.764 2.093 ( -2.750 -0.267 1.173) 3.001 2.101 ( 3.848 2.062 -4.548) 6.304 2.174 ( -2.264 0.052 -3.196) 3.917 2.248 ( 1.197 1.368 0.160) 1.825 2.282 ( -1.195 3.203 0.457) 3.449 2.392 ( 0.410 0.109 0.561) 0.704 2.417 ( -1.765 0.649 -0.219) 1.894 2.453 ( 6.302 1.705 3.403) 7.362 2.521 ( 1.149 3.868 -0.167) 4.038 2.609 ( 2.831 1.927 1.664) 3.808 2.661 ( -0.112 0.774 0.134) 0.793 2.772 ( -0.253 1.151 -0.635) 1.339 2.812 ( -3.109 -1.174 1.705) 3.735 2.878 ( 0.239 3.171 -0.939) 3.316 2.903 ( -1.365 3.339 0.658) 3.667 2.963 ( 3.856 3.115 0.139) 4.959 3.021 ( -2.103 3.407 -0.727) 4.069 3.093 ( 3.577 6.835 4.613) 8.988 3.221 ( -3.136 5.779 -0.027) 6.575 3.251 ( -1.699 4.205 -1.324) 4.725 3.288 ( -2.980 2.303 -2.120) 4.322 3.332 ( 1.898 0.866 2.219) 3.046 3.410 ( -5.082 0.794 3.144) 6.028 3.729 ( 2.761 4.887 -0.256) 5.619 3.741 ( 1.813 1.486 3.569) 4.270 3.773 ( 2.649 4.044 -4.830) 6.834 3.829 ( -1.942 4.925 -1.786) 5.587 3.896 ( 3.078 6.162 -1.135) 6.981 3.919 ( -0.738 5.482 -1.384) 5.702 3.959 ( 0.569 3.663 2.706) 4.590 4.027 ( -2.634 -0.782 -1.757) 3.261 4.086 ( 3.298 8.037 -1.719) 8.856 4.137 ( -1.004 8.568 0.114) 8.627 4.188 ( 0.997 10.601 2.490) 10.935 4.240 ( -3.516 8.923 1.306) 9.680 4.351 ( 0.929 5.704 -2.068) 6.138 4.376 ( -0.285 3.904 -2.022) 4.406 4.461 ( 0.083 2.241 -2.304) 3.215 4.515 ( -4.310 -0.642 2.527) 5.038 4.606 ( 2.155 8.082 -2.692) 8.787 4.664 ( -1.284 9.853 0.689) 9.960 4.721 ( -0.444 3.537 -2.059) 4.116 4.752 ( -2.240 4.560 -2.058) 5.481 5.326 ( 2.291 -7.029 1.649) 7.575 5.365 ( -1.170 -6.267 1.712) 6.601 5.446 ( 3.668 -8.038 -1.539) 8.968 5.500 ( -1.415 -7.493 -2.133) 7.918 6.237 ( 0.314 -5.929 0.133) 5.938 6.244 ( -0.284 -6.528 -0.226) 6.538 6.318 ( -0.071 -8.062 1.628) 8.225 6.329 ( -1.147 -7.842 1.258) 8.024 6.516 ( 2.935 9.090 1.771) 9.715 6.583 ( -3.065 9.360 -0.152) 9.850 6.701 ( 0.788 5.859 -0.561) 5.939 6.739 ( -2.450 6.089 -1.384) 6.708 6.931 ( 1.406 6.333 0.852) 6.543 6.958 ( -1.164 6.258 1.458) 6.530 7.031 ( 0.802 1.304 -2.785) 3.178 7.050 ( -0.961 1.647 -2.087) 2.827 7.395 ( 0.308 -2.984 0.526) 3.046 7.399 ( -0.016 -2.595 0.430) 2.631 7.589 ( 2.050 -6.321 1.219) 6.756 7.624 ( -1.143 -8.412 -0.158) 8.491 7.989 ( 0.996 -1.684 -2.197) 2.942 8.003 ( -0.333 -2.079 -3.276) 3.895 8.106 ( -0.127 -3.351 0.600) 3.407 8.117 ( -1.048 -3.781 0.241) 3.931 8.448 ( 2.137 -5.618 0.234) 6.015 8.481 ( -0.949 -5.099 -0.643) 5.226 8.660 ( 1.764 -7.315 0.516) 7.542 8.681 ( -0.169 -9.042 0.053) 9.044 8.920 ( 0.810 1.671 -0.079) 1.858 8.947 ( -1.187 0.126 -0.985) 1.548 8.962 ( 0.332 1.255 -1.285) 1.827 8.986 ( -1.451 0.792 -1.646) 2.332 9.185 ( 1.740 -1.162 -0.725) 2.214 9.195 ( 0.778 -1.672 -1.623) 2.457 9.311 ( 0.214 -4.087 -2.705) 4.906 9.315 ( -0.161 -3.756 -2.148) 4.330 9.533 ( 1.581 -0.543 6.500) 6.711 9.552 ( 0.024 -0.767 6.174) 6.222 9.616 ( 0.390 -3.601 3.475) 5.020 9.621 ( 0.052 -2.526 3.185) 4.065 10.004 ( -0.325 8.478 3.155) 9.052 10.023 ( -1.843 7.820 3.392) 8.721 10.118 ( 1.187 4.590 2.336) 5.285 10.143 ( -0.919 5.370 1.362) 5.616 10.378 ( 2.298 9.535 -1.014) 9.860 10.390 ( 0.953 9.562 2.663) 9.971 10.428 ( 3.739 9.558 -1.483) 10.370 10.507 ( -2.852 8.438 -0.378) 8.915 10.679 ( 0.052 -0.664 0.110) 0.675 10.689 ( -0.612 -0.613 0.896) 1.246 10.751 ( 0.014 0.098 -3.383) 3.385 10.771 ( -1.829 0.167 -4.036) 4.434 11.102 ( 2.283 3.633 -2.691) 5.065 11.134 ( 0.096 3.841 -3.213) 5.009 11.242 ( 0.886 1.825 -1.210) 2.363 11.288 ( -2.278 1.155 -2.790) 3.783 11.344 ( 0.566 0.970 0.867) 1.419 11.367 ( -1.123 0.391 -0.093) 1.193 11.519 ( 0.671 -1.141 3.162) 3.428 11.522 ( 0.495 -0.917 3.499) 3.651 12.021 ( 2.984 -4.994 3.585) 6.833 12.107 ( -4.989 -4.843 0.576) 6.977 12.293 ( 6.279 5.586 -1.239) 8.495 12.306 ( 4.425 5.202 -1.149) 6.926 12.459 ( -4.458 0.568 1.168) 4.643 12.515 ( -8.552 11.973 1.176) 14.760 12.670 ( 3.295 -4.145 0.652) 5.335 12.798 ( -8.105 -1.255 -3.959) 9.107 13.334 ( 10.318 -13.957 3.414) 17.690 13.536 ( -8.281 -10.195 3.513) 13.596 13.587 ( 11.456 -15.733 -6.608) 20.554 13.771 ( -5.263 -10.656 -5.502) 13.097 14.386 ( 15.954 11.787 6.061) 20.741 14.644 ( 0.768 10.476 -1.668) 10.636 14.808 ( -1.160 1.659 2.708) 3.381 15.087 ( -17.315 2.691 -6.032) 18.532 15.403 ( 2.672 -4.357 0.501) 5.136 15.426 ( 2.252 -4.571 -0.467) 5.117 15.479 ( -2.273 -4.717 1.265) 5.387 15.511 ( -3.718 -5.432 -0.199) 6.585 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.000 10.636 2.247) 10.871 1.657 ( 0.000 0.113 -1.878) 1.881 1.694 ( 0.000 -2.044 -1.658) 2.632 1.719 ( 0.000 0.785 -1.555) 1.742 1.836 ( 0.000 13.185 -4.977) 14.093 1.861 ( 0.000 -0.422 -0.208) 0.471 1.888 ( 0.000 -3.116 -0.959) 3.260 1.960 ( 0.000 3.038 -9.673) 10.139 2.056 ( 0.000 4.148 1.866) 4.549 2.124 ( 0.000 -4.515 -1.589) 4.786 2.192 ( 0.000 4.220 0.522) 4.252 2.205 ( 0.000 -1.655 3.940) 4.274 2.238 ( 0.000 0.466 -2.944) 2.981 2.288 ( 0.000 -0.348 2.187) 2.214 2.310 ( 0.000 -5.842 1.304) 5.986 2.338 ( 0.000 -0.483 2.127) 2.181 2.393 ( 0.000 0.194 3.434) 3.440 2.456 ( 0.000 -5.586 -0.065) 5.586 2.550 ( 0.000 5.800 4.500) 7.341 2.648 ( 0.000 -2.799 -0.706) 2.887 2.714 ( 0.000 -3.770 -1.862) 4.204 2.732 ( 0.000 -5.234 0.660) 5.276 3.026 ( 0.000 3.763 0.272) 3.772 3.049 ( 0.000 14.490 7.843) 16.476 3.083 ( 0.000 -1.929 1.139) 2.240 3.189 ( 0.000 -0.280 3.451) 3.462 3.216 ( 0.000 9.500 2.589) 9.846 3.268 ( 0.000 3.787 -3.609) 5.231 3.288 ( 0.000 1.376 -2.003) 2.430 3.356 ( 0.000 -4.152 -1.253) 4.337 3.563 ( 0.000 2.433 0.896) 2.593 3.588 ( 0.000 1.634 -1.512) 2.226 3.635 ( 0.000 0.885 3.251) 3.370 3.657 ( 0.000 -1.868 4.717) 5.073 3.799 ( 0.000 7.044 -3.213) 7.742 3.901 ( 0.000 -2.399 -2.149) 3.221 3.922 ( 0.000 2.109 0.307) 2.131 3.955 ( 0.000 -1.029 0.172) 1.043 3.995 ( 0.000 2.001 -1.783) 2.681 4.001 ( 0.000 0.801 2.508) 2.633 4.222 ( 0.000 5.141 2.927) 5.915 4.254 ( 0.000 2.162 3.826) 4.395 4.259 ( 0.000 1.642 3.276) 3.665 4.309 ( 0.000 -3.887 2.649) 4.704 4.477 ( 0.000 4.158 -2.158) 4.685 4.479 ( 0.000 3.978 -1.074) 4.121 4.520 ( 0.000 7.081 -3.697) 7.988 4.644 ( 0.000 -4.724 -4.499) 6.524 4.726 ( 0.000 2.911 -3.988) 4.937 4.728 ( 0.000 3.300 -7.397) 8.100 4.951 ( 0.000 4.536 0.042) 4.536 4.961 ( 0.000 3.961 0.128) 3.963 5.170 ( 0.000 -2.317 -0.845) 2.466 5.179 ( 0.000 -2.606 -1.568) 3.042 5.357 ( 0.000 0.497 0.582) 0.765 5.400 ( 0.000 -3.760 -1.317) 3.983 6.147 ( 0.000 -2.531 0.031) 2.531 6.159 ( 0.000 -1.491 -0.086) 1.493 6.189 ( 0.000 -3.955 1.844) 4.364 6.235 ( 0.000 -6.018 0.316) 6.027 6.614 ( 0.000 6.541 2.047) 6.853 6.697 ( 0.000 -1.042 -0.626) 1.216 6.836 ( 0.000 2.263 -0.725) 2.376 6.848 ( 0.000 1.544 -1.464) 2.128 7.030 ( 0.000 4.358 -1.095) 4.494 7.052 ( 0.000 1.739 -1.679) 2.418 7.093 ( 0.000 3.335 0.852) 3.442 7.119 ( 0.000 0.941 -0.618) 1.125 7.355 ( 0.000 0.983 0.860) 1.306 7.399 ( 0.000 0.466 -0.996) 1.100 7.450 ( 0.000 -2.968 0.746) 3.060 7.458 ( 0.000 -6.650 0.522) 6.670 7.920 ( 0.000 -0.497 -0.891) 1.020 7.936 ( 0.000 -1.974 -2.278) 3.015 8.064 ( 0.000 -2.278 1.569) 2.766 8.067 ( 0.000 -2.415 1.097) 2.653 8.338 ( 0.000 1.184 0.438) 1.262 8.414 ( 0.000 -4.800 -2.311) 5.327 8.497 ( 0.000 -3.486 1.147) 3.670 8.507 ( 0.000 -3.053 0.587) 3.109 8.956 ( 0.000 0.909 -1.792) 2.009 8.959 ( 0.000 0.905 -1.714) 1.938 9.042 ( 0.000 0.148 -3.650) 3.653 9.044 ( 0.000 -0.101 -3.681) 3.682 9.061 ( 0.000 0.142 -0.333) 0.362 9.080 ( 0.000 -2.048 -0.551) 2.120 9.265 ( 0.000 -1.234 -1.998) 2.348 9.268 ( 0.000 -1.428 -2.226) 2.645 9.471 ( 0.000 -0.714 6.590) 6.628 9.481 ( 0.000 -1.626 5.570) 5.803 9.571 ( 0.000 0.346 6.178) 6.188 9.583 ( 0.000 -0.869 6.420) 6.479 10.129 ( 0.000 2.530 3.800) 4.565 10.150 ( 0.000 0.250 3.361) 3.371 10.306 ( 0.000 5.629 2.183) 6.037 10.311 ( 0.000 5.604 3.664) 6.695 10.370 ( 0.000 3.444 1.819) 3.894 10.390 ( 0.000 1.876 2.729) 3.312 10.509 ( 0.000 5.846 2.542) 6.375 10.590 ( 0.000 -1.773 1.152) 2.114 10.702 ( 0.000 2.638 -1.075) 2.849 10.766 ( 0.000 -2.211 -3.744) 4.348 10.811 ( 0.000 2.823 -4.724) 5.503 10.830 ( 0.000 0.162 -3.296) 3.300 11.141 ( 0.000 3.557 -3.949) 5.315 11.151 ( 0.000 3.902 -5.069) 6.397 11.283 ( 0.000 0.956 -3.275) 3.412 11.288 ( 0.000 0.479 -3.469) 3.502 11.392 ( 0.000 -0.189 2.215) 2.223 11.397 ( 0.000 -0.985 2.449) 2.640 11.453 ( 0.000 -1.609 3.187) 3.570 11.468 ( 0.000 -2.144 3.119) 3.785 11.994 ( 0.000 7.606 0.385) 7.616 12.186 ( 0.000 -9.333 -7.582) 12.025 12.255 ( 0.000 0.444 0.032) 0.445 12.281 ( 0.000 1.023 -1.250) 1.616 12.444 ( 0.000 5.363 1.970) 5.713 12.476 ( 0.000 -2.971 2.652) 3.982 12.823 ( 0.000 -11.654 -0.988) 11.696 12.839 ( 0.000 -12.689 -2.133) 12.867 13.207 ( 0.000 13.683 2.080) 13.840 13.267 ( 0.000 16.250 0.025) 16.250 13.576 ( 0.000 -13.194 4.004) 13.789 13.649 ( 0.000 -9.869 0.760) 9.899 14.043 ( 0.000 8.094 -1.207) 8.183 14.201 ( 0.000 -10.086 -6.770) 12.148 15.256 ( 0.000 0.472 -0.518) 0.701 15.263 ( 0.000 -1.386 -0.512) 1.477 15.358 ( 0.000 7.820 3.619) 8.617 15.449 ( 0.000 -1.597 -0.493) 1.672 15.539 ( 0.000 0.531 1.358) 1.458 15.617 ( 0.000 -5.880 -1.464) 6.059 ======================= Grid point 66 (29/45) ======================= q-point: ( 0.20 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 1.129 12.483 1.872) 12.673 1.635 ( -1.879 2.327 -0.657) 3.062 1.680 ( -0.831 -2.389 -2.015) 3.234 1.768 ( 3.925 -0.261 -1.226) 4.120 1.845 ( -2.077 6.188 -4.376) 7.859 1.853 ( 0.469 2.349 -0.560) 2.460 1.889 ( -2.476 1.954 -4.244) 5.288 1.903 ( -0.010 -3.567 -2.371) 4.283 2.068 ( -0.103 0.662 0.111) 0.679 2.122 ( -0.952 0.965 -1.512) 2.030 2.174 ( -0.922 -2.555 -2.268) 3.539 2.178 ( -1.543 1.522 0.462) 2.216 2.232 ( 1.857 2.286 1.969) 3.543 2.306 ( 1.034 -3.959 0.193) 4.096 2.345 ( 3.926 2.036 0.250) 4.430 2.402 ( 4.036 2.821 2.894) 5.712 2.434 ( 0.199 -1.232 0.953) 1.570 2.501 ( 4.321 -2.844 3.078) 6.019 2.524 ( -0.118 1.219 2.006) 2.351 2.594 ( -3.248 -5.154 -1.306) 6.231 2.727 ( 0.097 -2.480 2.067) 3.230 2.741 ( 1.454 -4.028 -0.032) 4.283 2.979 ( -3.857 3.492 2.446) 5.749 3.031 ( -4.763 -0.892 1.943) 5.221 3.081 ( 2.030 10.029 5.629) 11.678 3.178 ( 0.113 5.969 -0.675) 6.008 3.193 ( -3.668 3.773 0.867) 5.333 3.254 ( 0.906 2.744 2.222) 3.645 3.287 ( -0.248 -0.107 -2.962) 2.974 3.338 ( -1.471 -3.503 -1.787) 4.199 3.530 ( -4.701 3.639 3.868) 7.092 3.543 ( -4.119 1.798 1.051) 4.615 3.679 ( 4.071 0.635 1.609) 4.423 3.698 ( 3.932 -0.920 1.449) 4.290 3.819 ( 1.808 6.731 -1.751) 7.186 3.901 ( -0.501 -0.664 -1.710) 1.902 3.940 ( 1.149 -1.113 0.725) 1.756 3.955 ( 0.502 0.381 -1.432) 1.565 3.993 ( -0.369 2.029 2.873) 3.537 4.015 ( 1.388 0.326 -0.899) 1.686 4.213 ( -0.027 5.330 0.920) 5.409 4.258 ( 0.926 1.264 1.260) 2.011 4.296 ( 2.248 3.051 3.633) 5.250 4.332 ( 1.817 -2.397 2.406) 3.852 4.446 ( -2.074 5.750 0.705) 6.153 4.480 ( -1.229 4.515 -3.510) 5.850 4.517 ( -0.088 3.465 -2.068) 4.036 4.599 ( -4.005 -3.282 -5.769) 7.752 4.721 ( 0.184 4.407 -4.980) 6.652 4.739 ( 1.179 2.735 -5.028) 5.844 4.919 ( -2.913 4.852 0.106) 5.661 4.932 ( -2.846 3.882 -0.226) 4.819 5.185 ( 1.783 -1.831 -0.315) 2.575 5.214 ( 3.122 -4.269 -1.270) 5.439 5.348 ( -1.024 0.386 0.829) 1.373 5.397 ( -0.503 -4.238 -1.279) 4.456 6.146 ( 0.010 -2.332 0.072) 2.333 6.158 ( -0.095 -1.459 -0.054) 1.463 6.186 ( -0.230 -4.377 1.560) 4.653 6.221 ( -1.221 -5.648 0.446) 5.795 6.627 ( 1.290 6.403 1.594) 6.724 6.706 ( 0.886 -0.736 -1.033) 1.547 6.804 ( -2.563 3.289 -0.401) 4.189 6.837 ( -1.477 0.275 -1.587) 2.185 7.030 ( 0.240 4.498 -0.768) 4.569 7.056 ( 0.431 1.710 -1.493) 2.310 7.086 ( -0.683 3.546 0.742) 3.687 7.111 ( -0.747 1.128 -0.618) 1.487 7.358 ( 0.297 0.976 0.759) 1.272 7.391 ( -0.581 0.817 -0.594) 1.166 7.453 ( 0.224 -4.372 0.644) 4.425 7.459 ( 0.071 -6.960 0.494) 6.977 7.946 ( 2.112 0.107 -0.925) 2.308 7.961 ( 1.974 -1.164 -2.171) 3.157 8.054 ( -0.581 -1.963 1.074) 2.312 8.064 ( -0.430 -2.689 0.621) 2.794 8.354 ( 1.583 1.268 0.382) 2.064 8.422 ( 0.710 -3.294 -2.224) 4.037 8.503 ( 0.317 -4.685 1.352) 4.886 8.515 ( 0.531 -3.982 0.536) 4.053 8.948 ( -0.395 1.018 -1.346) 1.733 8.957 ( 0.022 0.476 -1.566) 1.637 9.007 ( -1.967 0.604 -1.001) 2.288 9.021 ( -1.499 -0.540 -1.886) 2.469 9.113 ( 3.342 -0.300 -2.140) 3.979 9.120 ( 2.754 -1.152 -2.177) 3.695 9.257 ( -0.636 -1.152 -2.699) 3.002 9.267 ( -0.372 -1.842 -2.507) 3.133 9.485 ( 1.457 -0.346 6.652) 6.819 9.498 ( 1.547 -1.575 5.713) 6.124 9.579 ( 0.401 0.083 6.259) 6.272 9.589 ( 0.368 -0.848 6.010) 6.081 10.128 ( -0.127 2.790 3.637) 4.585 10.151 ( 0.245 0.572 3.054) 3.117 10.235 ( -4.226 5.424 4.066) 7.988 10.267 ( -2.857 2.580 3.524) 5.219 10.436 ( 5.070 5.410 0.448) 7.428 10.465 ( 4.440 2.494 0.528) 5.120 10.529 ( 1.766 5.306 3.027) 6.359 10.591 ( 0.193 -0.912 0.748) 1.195 10.697 ( -0.458 2.340 -1.327) 2.729 10.751 ( -1.247 -1.098 -4.257) 4.570 10.786 ( -2.059 2.726 -3.383) 4.808 10.819 ( -1.447 -0.302 -3.029) 3.370 11.142 ( 0.589 4.049 -3.824) 5.601 11.173 ( 1.173 1.883 -5.028) 5.495 11.276 ( -1.134 0.364 -3.033) 3.259 11.280 ( -0.396 -0.789 -3.264) 3.381 11.391 ( 0.127 1.531 2.963) 3.337 11.403 ( 0.170 1.341 2.078) 2.479 11.460 ( 0.523 -2.560 2.731) 3.780 11.474 ( 0.787 -2.731 2.872) 4.040 12.004 ( 0.860 7.251 0.626) 7.329 12.141 ( -3.989 -3.832 -4.272) 6.989 12.216 ( -2.130 -3.398 0.150) 4.013 12.274 ( -1.440 -8.062 -2.317) 8.511 12.462 ( 3.332 7.475 3.175) 8.779 12.550 ( 6.232 2.878 0.570) 6.888 12.867 ( 5.717 -8.260 -0.628) 10.065 12.952 ( 4.037 -6.930 -3.911) 8.923 13.086 ( -4.405 6.601 2.824) 8.424 13.193 ( -8.156 10.413 -1.397) 13.300 13.481 ( -7.193 -9.763 3.334) 12.577 13.621 ( -4.200 -13.373 -1.335) 14.081 14.237 ( 15.758 7.086 -0.044) 17.278 14.340 ( 13.442 -4.886 -4.021) 14.857 15.241 ( -3.970 6.898 0.707) 7.990 15.282 ( 1.254 -1.778 -1.065) 2.422 15.323 ( -1.925 3.897 2.898) 5.224 15.426 ( -3.079 0.627 -0.988) 3.294 15.476 ( -4.758 -2.510 0.656) 5.419 15.499 ( -9.676 -7.164 -0.271) 12.042 ======================= Grid point 67 (30/45) ======================= q-point: ( 0.40 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -0.446 9.786 -0.105) 9.797 1.611 ( -0.872 8.076 -0.301) 8.129 1.681 ( 1.359 -0.315 -2.214) 2.616 1.744 ( -4.688 2.483 -3.688) 6.461 1.827 ( 1.748 -1.989 0.973) 2.821 1.856 ( -0.528 -2.126 0.689) 2.296 1.898 ( 0.649 -2.126 -2.623) 3.438 1.904 ( -0.066 -4.298 -0.800) 4.372 2.058 ( 0.769 4.049 1.708) 4.461 2.098 ( -1.967 6.571 -0.420) 6.872 2.161 ( 0.110 1.368 -1.927) 2.366 2.170 ( -0.253 -2.738 -3.100) 4.144 2.291 ( 3.404 3.038 -1.566) 4.824 2.330 ( 0.965 -0.027 -3.505) 3.636 2.379 ( -1.828 1.226 0.469) 2.251 2.400 ( -1.672 -0.679 -2.021) 2.710 2.493 ( 4.542 1.752 3.576) 6.040 2.546 ( 0.460 0.249 1.670) 1.750 2.585 ( 2.122 -5.634 3.534) 6.980 2.588 ( 2.024 -3.779 0.837) 4.368 2.753 ( 3.440 -0.103 4.078) 5.336 2.784 ( 2.974 -2.180 0.784) 3.769 2.882 ( -4.957 -0.072 3.870) 6.289 2.914 ( -5.930 -1.989 1.521) 6.437 3.101 ( 0.171 7.949 -1.704) 8.132 3.131 ( -2.337 7.134 -1.207) 7.603 3.196 ( 2.364 0.733 2.384) 3.436 3.255 ( -2.078 -3.733 -0.697) 4.328 3.305 ( 2.282 2.990 0.406) 3.783 3.338 ( 2.766 0.429 2.685) 3.879 3.401 ( -6.148 4.600 4.831) 9.072 3.437 ( -5.445 1.010 3.019) 6.307 3.764 ( 3.618 2.002 1.983) 4.586 3.786 ( 3.008 1.401 -1.732) 3.743 3.847 ( 0.504 0.657 1.894) 2.067 3.879 ( -1.612 -0.778 -3.504) 3.935 3.943 ( 0.605 1.412 -0.285) 1.563 3.968 ( -1.054 4.186 1.264) 4.498 4.006 ( 2.089 -0.075 1.725) 2.710 4.035 ( -0.172 -1.195 0.825) 1.462 4.241 ( 2.696 6.412 -2.173) 7.288 4.280 ( 0.411 3.724 -2.006) 4.249 4.330 ( 0.603 1.885 1.460) 2.460 4.351 ( -0.888 -0.186 0.887) 1.269 4.416 ( 0.633 5.317 1.647) 5.602 4.447 ( -1.405 4.711 -1.174) 5.055 4.500 ( -1.324 0.099 -1.697) 2.155 4.512 ( -3.222 -0.300 -5.076) 6.019 4.758 ( 3.433 5.169 -3.516) 7.132 4.782 ( 2.894 2.603 -3.347) 5.134 4.843 ( -4.254 4.763 -1.149) 6.489 4.855 ( -4.047 3.406 -1.531) 5.506 5.241 ( 3.309 -0.790 0.857) 3.509 5.289 ( 2.322 -3.240 -0.826) 4.070 5.315 ( -0.841 -2.284 1.006) 2.633 5.369 ( -2.406 -5.361 -1.072) 5.974 6.149 ( 0.295 -1.996 0.154) 2.023 6.155 ( -0.196 -1.635 0.105) 1.650 6.182 ( 0.045 -4.838 0.933) 4.928 6.194 ( -1.098 -4.995 0.629) 5.153 6.669 ( 2.703 5.904 0.622) 6.524 6.724 ( -0.883 3.597 -1.336) 3.938 6.751 ( -0.541 0.416 -0.176) 0.705 6.791 ( -2.651 -0.513 -1.655) 3.167 7.044 ( 1.029 4.318 -0.176) 4.442 7.067 ( -0.946 3.780 0.110) 3.898 7.070 ( 0.753 1.810 -0.766) 2.105 7.091 ( -1.110 1.467 -0.670) 1.958 7.366 ( 0.532 1.027 0.512) 1.265 7.379 ( -0.630 1.029 0.051) 1.207 7.458 ( 0.177 -6.330 0.576) 6.358 7.460 ( -0.002 -7.339 0.509) 7.357 7.988 ( 1.512 1.341 -1.062) 2.282 7.995 ( 0.871 0.960 -1.632) 2.084 8.047 ( -0.081 -2.601 0.384) 2.630 8.053 ( -0.564 -2.887 0.066) 2.943 8.398 ( 2.299 1.338 0.036) 2.661 8.430 ( -0.461 0.392 -1.067) 1.227 8.507 ( 0.282 -7.308 0.355) 7.322 8.517 ( -0.414 -6.225 -0.020) 6.239 8.949 ( 0.474 1.225 -0.444) 1.387 8.962 ( -0.016 0.811 -0.873) 1.192 8.974 ( -0.613 0.152 -0.149) 0.648 8.990 ( -1.383 -0.590 -0.709) 1.663 9.176 ( 2.361 0.104 -2.393) 3.363 9.179 ( 2.508 -0.026 -2.904) 3.838 9.238 ( -1.054 -2.199 -3.359) 4.151 9.247 ( -1.459 -2.684 -3.315) 4.508 9.528 ( 2.337 0.198 6.689) 7.089 9.540 ( 2.101 -0.746 6.129) 6.521 9.574 ( -0.946 -0.503 6.464) 6.552 9.584 ( -1.048 -1.254 5.860) 6.084 10.129 ( 0.597 4.149 3.636) 5.549 10.162 ( -2.396 5.116 4.087) 6.973 10.169 ( 1.261 0.447 3.034) 3.316 10.211 ( -2.522 0.613 3.436) 4.306 10.532 ( 3.340 5.208 -0.295) 6.194 10.556 ( 2.952 4.940 1.026) 5.845 10.563 ( 1.958 3.732 0.713) 4.275 10.600 ( 0.213 0.771 0.226) 0.832 10.688 ( -0.050 2.109 -1.756) 2.744 10.718 ( -2.350 2.901 -2.429) 4.454 10.746 ( -0.620 -1.020 -4.037) 4.210 10.773 ( -2.546 -0.898 -4.002) 4.827 11.165 ( 1.478 3.463 -3.373) 5.055 11.186 ( -0.103 2.058 -4.165) 4.647 11.251 ( -0.736 -1.718 -2.614) 3.214 11.261 ( -1.277 -3.203 -2.955) 4.542 11.396 ( 0.360 4.108 2.653) 4.904 11.403 ( -0.169 3.510 2.388) 4.249 11.475 ( 0.938 -3.505 2.353) 4.325 11.487 ( 0.056 -3.412 2.319) 4.126 12.024 ( 1.092 6.051 0.833) 6.205 12.061 ( -2.917 2.411 -0.356) 3.801 12.199 ( 0.597 -9.130 -0.534) 9.165 12.232 ( -2.191 -11.955 -1.730) 12.277 12.591 ( 8.720 12.412 2.709) 15.409 12.718 ( 9.363 5.709 -1.384) 11.053 12.802 ( -10.363 13.122 2.000) 16.840 12.928 ( -7.881 4.464 -3.430) 9.685 13.095 ( 6.733 -4.515 2.170) 8.392 13.235 ( 10.271 -15.801 -3.784) 19.222 13.301 ( -8.945 -8.395 1.980) 12.426 13.469 ( -9.949 -16.971 -3.867) 20.048 14.613 ( 19.637 8.848 1.645) 21.601 14.706 ( 20.281 -0.806 -1.966) 20.392 15.004 ( -16.797 10.889 2.672) 20.195 15.124 ( -18.499 -0.648 -2.208) 18.642 15.339 ( 2.168 -1.548 0.514) 2.713 15.352 ( 1.739 -2.452 0.179) 3.012 15.396 ( -2.807 -3.073 0.496) 4.191 15.405 ( -2.557 -4.129 0.104) 4.857 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.000 0.000 -20.248) 20.248 0.878 ( 0.000 0.000 20.248) 20.248 1.007 ( 0.000 0.000 -22.532) 22.532 1.007 ( 0.000 0.000 22.532) 22.532 1.623 ( 0.000 0.000 -3.241) 3.241 1.623 ( 0.000 0.000 3.241) 3.241 1.880 ( 0.000 0.000 -6.085) 6.085 1.880 ( 0.000 0.000 6.085) 6.085 1.924 ( 0.000 0.000 -13.989) 13.989 1.924 ( 0.000 0.000 13.989) 13.989 2.068 ( 0.000 0.000 -24.830) 24.830 2.068 ( 0.000 0.000 24.830) 24.830 2.149 ( 0.000 0.000 -5.052) 5.052 2.149 ( 0.000 0.000 5.052) 5.052 2.306 ( 0.000 0.000 -4.459) 4.459 2.306 ( 0.000 0.000 4.459) 4.459 2.310 ( 0.000 0.000 -1.107) 1.107 2.310 ( 0.000 0.000 1.107) 1.107 2.421 ( 0.000 0.000 -4.231) 4.231 2.421 ( 0.000 0.000 4.231) 4.231 2.628 ( 0.000 0.000 -0.157) 0.157 2.628 ( 0.000 0.000 0.157) 0.157 2.749 ( 0.000 0.000 -3.481) 3.481 2.749 ( 0.000 0.000 3.481) 3.481 2.922 ( 0.000 0.000 -0.323) 0.323 2.922 ( 0.000 0.000 0.323) 0.323 3.008 ( 0.000 0.000 -2.778) 2.778 3.008 ( 0.000 0.000 2.778) 2.778 3.213 ( 0.000 0.000 -2.946) 2.946 3.213 ( 0.000 0.000 2.946) 2.946 3.285 ( 0.000 0.000 -8.886) 8.886 3.285 ( 0.000 0.000 8.886) 8.886 3.305 ( 0.000 0.000 -0.713) 0.713 3.305 ( 0.000 0.000 0.713) 0.713 3.415 ( 0.000 0.000 -2.473) 2.473 3.415 ( 0.000 0.000 2.473) 2.473 3.529 ( 0.000 0.000 -9.394) 9.394 3.529 ( 0.000 0.000 9.394) 9.394 3.571 ( 0.000 0.000 -1.396) 1.396 3.571 ( 0.000 0.000 1.396) 1.396 3.734 ( 0.000 0.000 -2.351) 2.351 3.734 ( 0.000 0.000 2.351) 2.351 3.908 ( 0.000 0.000 -0.155) 0.155 3.908 ( 0.000 0.000 0.155) 0.155 4.080 ( 0.000 0.000 -3.049) 3.049 4.080 ( 0.000 0.000 3.049) 3.049 4.205 ( 0.000 0.000 -6.428) 6.428 4.205 ( 0.000 0.000 6.428) 6.428 4.585 ( 0.000 0.000 -6.708) 6.708 4.585 ( 0.000 0.000 6.708) 6.708 5.271 ( 0.000 0.000 -13.998) 13.998 5.271 ( 0.000 0.000 13.998) 13.998 5.730 ( 0.000 0.000 -5.181) 5.181 5.730 ( 0.000 0.000 5.181) 5.181 5.942 ( 0.000 0.000 -2.242) 2.242 5.942 ( 0.000 0.000 2.242) 2.242 6.024 ( 0.000 0.000 -0.295) 0.295 6.024 ( 0.000 0.000 0.295) 0.295 6.165 ( 0.000 0.000 -2.832) 2.832 6.165 ( 0.000 0.000 2.832) 2.832 6.546 ( 0.000 0.000 -3.175) 3.175 6.546 ( 0.000 0.000 3.175) 3.175 6.659 ( 0.000 0.000 -0.019) 0.019 6.659 ( 0.000 0.000 0.019) 0.019 6.787 ( 0.000 0.000 -8.257) 8.257 6.787 ( 0.000 0.000 8.257) 8.257 6.870 ( 0.000 0.000 -7.460) 7.460 6.870 ( 0.000 0.000 7.460) 7.460 7.531 ( 0.000 0.000 -4.334) 4.334 7.531 ( 0.000 0.000 4.334) 4.334 7.972 ( 0.000 0.000 -0.579) 0.579 7.972 ( 0.000 0.000 0.579) 0.579 8.315 ( 0.000 0.000 -0.016) 0.016 8.315 ( 0.000 0.000 0.016) 0.016 8.472 ( 0.000 0.000 -1.273) 1.273 8.472 ( 0.000 0.000 1.273) 1.273 8.514 ( 0.000 0.000 -1.609) 1.609 8.514 ( 0.000 0.000 1.609) 1.609 8.539 ( 0.000 0.000 -3.134) 3.134 8.539 ( 0.000 0.000 3.134) 3.134 9.072 ( 0.000 0.000 -4.642) 4.642 9.072 ( 0.000 0.000 4.642) 4.642 9.101 ( 0.000 0.000 -5.295) 5.295 9.101 ( 0.000 0.000 5.295) 5.295 9.188 ( 0.000 0.000 -5.387) 5.387 9.188 ( 0.000 0.000 5.387) 5.387 9.287 ( 0.000 0.000 -4.817) 4.817 9.287 ( 0.000 0.000 4.817) 4.817 9.541 ( 0.000 0.000 -3.315) 3.315 9.541 ( 0.000 0.000 3.315) 3.315 9.689 ( 0.000 0.000 -2.171) 2.171 9.689 ( 0.000 0.000 2.171) 2.171 9.728 ( 0.000 0.000 -0.026) 0.026 9.728 ( 0.000 0.000 0.026) 0.026 9.906 ( 0.000 0.000 -1.324) 1.324 9.906 ( 0.000 0.000 1.324) 1.324 9.910 ( 0.000 0.000 -2.535) 2.535 9.910 ( 0.000 0.000 2.535) 2.535 10.345 ( 0.000 0.000 -3.561) 3.561 10.345 ( 0.000 0.000 3.561) 3.561 10.757 ( 0.000 0.000 -1.013) 1.013 10.757 ( 0.000 0.000 1.013) 1.013 10.809 ( 0.000 0.000 -3.846) 3.846 10.809 ( 0.000 0.000 3.846) 3.846 10.868 ( 0.000 0.000 -3.298) 3.298 10.868 ( 0.000 0.000 3.298) 3.298 11.142 ( 0.000 0.000 -0.206) 0.206 11.142 ( 0.000 0.000 0.206) 0.206 11.387 ( 0.000 0.000 -1.346) 1.346 11.387 ( 0.000 0.000 1.346) 1.346 11.589 ( 0.000 0.000 -1.485) 1.485 11.589 ( 0.000 0.000 1.485) 1.485 11.762 ( 0.000 0.000 -0.775) 0.775 11.762 ( 0.000 0.000 0.775) 0.775 12.364 ( 0.000 0.000 -1.955) 1.955 12.364 ( 0.000 0.000 1.955) 1.955 12.907 ( 0.000 0.000 -2.081) 2.081 12.907 ( 0.000 0.000 2.081) 2.081 13.107 ( 0.000 0.000 -7.482) 7.482 13.107 ( 0.000 0.000 7.482) 7.482 13.471 ( 0.000 0.000 -5.891) 5.891 13.471 ( 0.000 0.000 5.891) 5.891 13.499 ( 0.000 0.000 -0.065) 0.065 13.499 ( 0.000 0.000 0.065) 0.065 14.228 ( 0.000 0.000 -3.994) 3.994 14.228 ( 0.000 0.000 3.994) 3.994 15.238 ( 0.000 0.000 -10.491) 10.491 15.238 ( 0.000 0.000 10.491) 10.491 15.525 ( 0.000 0.000 -0.699) 0.699 15.525 ( 0.000 0.000 0.699) 0.699 15.713 ( 0.000 0.000 -0.187) 0.187 15.713 ( 0.000 0.000 0.187) 0.187 ======================= Grid point 92 (32/45) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 14.296 0.000 -16.336) 21.708 1.041 ( 14.296 0.000 16.336) 21.708 1.069 ( 5.813 0.000 -19.494) 20.342 1.069 ( 5.813 0.000 19.494) 20.342 1.644 ( -0.057 0.000 -3.814) 3.814 1.644 ( -0.057 0.000 3.814) 3.814 1.839 ( -1.770 0.000 -4.996) 5.300 1.839 ( -1.770 0.000 4.996) 5.300 1.916 ( -1.623 0.000 -5.831) 6.053 1.916 ( -1.623 0.000 5.831) 6.053 2.021 ( -2.757 0.000 -16.794) 17.019 2.021 ( -2.757 0.000 16.794) 17.019 2.128 ( -1.678 0.000 -2.287) 2.836 2.128 ( -1.678 0.000 2.287) 2.836 2.266 ( -4.086 0.000 -1.788) 4.460 2.266 ( -4.086 0.000 1.788) 4.460 2.345 ( 3.471 0.000 -5.341) 6.370 2.345 ( 3.471 0.000 5.341) 6.370 2.407 ( -0.862 0.000 -3.201) 3.315 2.407 ( -0.862 0.000 3.201) 3.315 2.653 ( 1.888 0.000 -0.420) 1.934 2.653 ( 1.888 0.000 0.420) 1.934 2.740 ( -1.247 0.000 -4.547) 4.715 2.740 ( -1.247 0.000 4.547) 4.715 2.891 ( -2.599 0.000 -8.260) 8.659 2.891 ( -2.599 0.000 8.260) 8.659 3.045 ( -1.684 0.000 -14.206) 14.306 3.045 ( -1.684 0.000 14.206) 14.306 3.196 ( -1.570 0.000 -2.966) 3.356 3.196 ( -1.570 0.000 2.966) 3.356 3.248 ( 0.158 0.000 -6.492) 6.494 3.248 ( 0.158 0.000 6.492) 6.494 3.271 ( -3.462 0.000 -1.144) 3.646 3.271 ( -3.462 0.000 1.144) 3.646 3.410 ( 1.113 0.000 -1.961) 2.255 3.410 ( 1.113 0.000 1.961) 2.255 3.547 ( 1.390 0.000 -8.362) 8.477 3.547 ( 1.390 0.000 8.362) 8.477 3.625 ( 3.935 0.000 -1.488) 4.206 3.625 ( 3.935 0.000 1.488) 4.206 3.812 ( 6.820 0.000 -4.710) 8.288 3.812 ( 6.820 0.000 4.710) 8.288 3.919 ( 0.575 0.000 -1.106) 1.247 3.919 ( 0.575 0.000 1.106) 1.247 4.083 ( 0.303 0.000 -2.741) 2.758 4.083 ( 0.303 0.000 2.741) 2.758 4.190 ( -1.729 0.000 -6.524) 6.750 4.190 ( -1.729 0.000 6.524) 6.750 4.622 ( 3.388 0.000 -6.000) 6.890 4.622 ( 3.388 0.000 6.000) 6.890 5.181 ( -7.354 0.000 -10.577) 12.882 5.181 ( -7.354 0.000 10.577) 12.882 5.764 ( 3.169 0.000 -4.319) 5.357 5.764 ( 3.169 0.000 4.319) 5.357 5.959 ( 1.463 0.000 -1.922) 2.415 5.959 ( 1.463 0.000 1.922) 2.415 6.041 ( 1.111 0.000 -1.189) 1.628 6.041 ( 1.111 0.000 1.189) 1.628 6.122 ( -3.914 0.000 -2.655) 4.729 6.122 ( -3.914 0.000 2.655) 4.729 6.544 ( -0.458 0.000 -2.187) 2.235 6.544 ( -0.458 0.000 2.187) 2.235 6.680 ( 1.944 0.000 -1.218) 2.295 6.680 ( 1.944 0.000 1.218) 2.295 6.794 ( 0.568 0.000 -6.805) 6.829 6.794 ( 0.568 0.000 6.805) 6.829 6.871 ( 0.094 0.000 -6.204) 6.205 6.871 ( 0.094 0.000 6.204) 6.205 7.534 ( 0.444 0.000 -5.512) 5.530 7.534 ( 0.444 0.000 5.512) 5.530 7.915 ( -4.651 0.000 -4.601) 6.542 7.915 ( -4.651 0.000 4.601) 6.542 8.340 ( 2.240 0.000 -1.560) 2.730 8.340 ( 2.240 0.000 1.560) 2.730 8.471 ( -0.144 0.000 -1.080) 1.090 8.471 ( -0.144 0.000 1.080) 1.090 8.511 ( -0.258 0.000 -1.313) 1.338 8.511 ( -0.258 0.000 1.313) 1.338 8.540 ( -0.143 0.000 -5.936) 5.937 8.540 ( -0.143 0.000 5.936) 5.937 9.082 ( -1.152 0.000 -5.821) 5.934 9.082 ( -1.152 0.000 5.821) 5.934 9.091 ( 1.758 0.000 -3.860) 4.241 9.091 ( 1.758 0.000 3.860) 4.241 9.178 ( -0.284 0.000 -3.106) 3.119 9.178 ( -0.284 0.000 3.106) 3.119 9.311 ( 1.353 0.000 -2.740) 3.056 9.311 ( 1.353 0.000 2.740) 3.056 9.505 ( -3.136 0.000 -2.978) 4.325 9.505 ( -3.136 0.000 2.978) 4.325 9.745 ( 1.692 0.000 -0.299) 1.718 9.745 ( 1.692 0.000 0.299) 1.718 9.764 ( 4.992 0.000 -1.962) 5.364 9.764 ( 4.992 0.000 1.962) 5.364 9.903 ( -0.480 0.000 -0.995) 1.104 9.903 ( -0.480 0.000 0.995) 1.104 9.943 ( 3.388 0.000 -5.139) 6.155 9.943 ( 3.388 0.000 5.139) 6.155 10.317 ( -2.389 0.000 -1.284) 2.712 10.317 ( -2.389 0.000 1.284) 2.712 10.763 ( 0.499 0.000 -0.793) 0.937 10.763 ( 0.499 0.000 0.793) 0.937 10.827 ( 1.552 0.000 -3.092) 3.460 10.827 ( 1.552 0.000 3.092) 3.460 10.859 ( -0.769 0.000 -2.745) 2.851 10.859 ( -0.769 0.000 2.745) 2.851 11.131 ( -0.945 0.000 -0.272) 0.983 11.131 ( -0.945 0.000 0.272) 0.983 11.373 ( -0.745 0.000 -1.724) 1.878 11.373 ( -0.745 0.000 1.724) 1.878 11.627 ( 2.536 0.000 -1.476) 2.934 11.627 ( 2.536 0.000 1.476) 2.934 11.800 ( 3.660 0.000 -0.855) 3.759 11.800 ( 3.660 0.000 0.855) 3.759 12.263 ( -8.223 0.000 -1.863) 8.431 12.263 ( -8.223 0.000 1.863) 8.431 12.893 ( -15.887 0.000 -4.514) 16.516 12.893 ( -15.887 0.000 4.514) 16.516 13.007 ( 8.074 0.000 -1.929) 8.301 13.007 ( 8.074 0.000 1.929) 8.301 13.342 ( -7.366 0.000 -9.863) 12.310 13.342 ( -7.366 0.000 9.863) 12.310 13.461 ( -3.618 0.000 -0.329) 3.633 13.461 ( -3.618 0.000 0.329) 3.633 14.427 ( 12.218 0.000 -5.722) 13.491 14.427 ( 12.218 0.000 5.722) 13.491 15.192 ( -3.175 0.000 -8.017) 8.623 15.192 ( -3.175 0.000 8.017) 8.623 15.572 ( 3.327 0.000 -1.258) 3.557 15.572 ( 3.327 0.000 1.258) 3.557 15.709 ( -0.434 0.000 -0.156) 0.462 15.709 ( -0.434 0.000 0.156) 0.462 ======================= Grid point 94 (33/45) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 7.412 0.000 -11.118) 13.362 1.221 ( 7.412 0.000 11.118) 13.362 1.354 ( 12.308 0.000 -9.508) 15.553 1.354 ( 12.308 0.000 9.508) 15.553 1.541 ( -7.291 0.000 -5.639) 9.218 1.541 ( -7.291 0.000 5.639) 9.218 1.815 ( -6.366 0.000 -6.896) 9.385 1.815 ( -6.366 0.000 6.896) 9.385 1.892 ( 4.657 0.000 -1.818) 5.000 1.892 ( 4.657 0.000 1.818) 5.000 2.022 ( 1.758 0.000 -6.982) 7.200 2.022 ( 1.758 0.000 6.982) 7.200 2.093 ( -1.557 0.000 -2.442) 2.896 2.093 ( -1.557 0.000 2.442) 2.896 2.163 ( -4.718 0.000 -1.819) 5.057 2.163 ( -4.718 0.000 1.819) 5.057 2.395 ( -0.301 0.000 -1.105) 1.146 2.395 ( -0.301 0.000 1.105) 1.146 2.451 ( 6.644 0.000 -12.074) 13.781 2.451 ( 6.644 0.000 12.074) 13.781 2.672 ( -5.961 0.000 -7.206) 9.352 2.672 ( -5.961 0.000 7.206) 9.352 2.686 ( 0.933 0.000 -0.319) 0.986 2.686 ( 0.933 0.000 0.319) 0.986 2.850 ( -0.524 0.000 -11.258) 11.270 2.850 ( -0.524 0.000 11.258) 11.270 2.904 ( -6.536 0.000 -15.976) 17.262 2.904 ( -6.536 0.000 15.976) 17.262 3.160 ( -1.330 0.000 -1.230) 1.811 3.160 ( -1.330 0.000 1.230) 1.811 3.209 ( -1.694 0.000 -1.110) 2.025 3.209 ( -1.694 0.000 1.110) 2.025 3.322 ( 3.432 0.000 -2.513) 4.254 3.322 ( 3.432 0.000 2.513) 4.254 3.441 ( 1.091 0.000 -0.582) 1.236 3.441 ( 1.091 0.000 0.582) 1.236 3.568 ( 0.413 0.000 -4.088) 4.109 3.568 ( 0.413 0.000 4.088) 4.109 3.698 ( 2.455 0.000 -1.075) 2.680 3.698 ( 2.455 0.000 1.075) 2.680 3.917 ( -0.489 0.000 -1.167) 1.265 3.917 ( -0.489 0.000 1.167) 1.265 3.961 ( 6.177 0.000 -5.490) 8.264 3.961 ( 6.177 0.000 5.490) 8.264 4.091 ( 0.369 0.000 -1.109) 1.169 4.091 ( 0.369 0.000 1.109) 1.169 4.130 ( -3.633 0.000 -5.585) 6.663 4.130 ( -3.633 0.000 5.585) 6.663 4.703 ( 3.369 0.000 -3.351) 4.751 4.703 ( 3.369 0.000 3.351) 4.751 5.034 ( -5.210 0.000 -4.626) 6.967 5.034 ( -5.210 0.000 4.626) 6.967 5.848 ( 4.199 0.000 -2.224) 4.752 5.848 ( 4.199 0.000 2.224) 4.752 5.991 ( 1.221 0.000 -1.055) 1.614 5.991 ( 1.221 0.000 1.055) 1.614 6.025 ( -4.605 0.000 -1.748) 4.926 6.025 ( -4.605 0.000 1.748) 4.926 6.054 ( 0.123 0.000 -0.909) 0.917 6.054 ( 0.123 0.000 0.909) 0.917 6.530 ( -0.527 0.000 -0.676) 0.857 6.530 ( -0.527 0.000 0.676) 0.857 6.719 ( 1.304 0.000 -1.003) 1.645 6.719 ( 1.304 0.000 1.003) 1.645 6.804 ( 0.261 0.000 -2.604) 2.617 6.804 ( 0.261 0.000 2.604) 2.617 6.874 ( 0.110 0.000 -2.395) 2.398 6.874 ( 0.110 0.000 2.395) 2.398 7.551 ( 0.947 0.000 -3.485) 3.611 7.551 ( 0.947 0.000 3.485) 3.611 7.824 ( -3.113 0.000 -3.157) 4.434 7.824 ( -3.113 0.000 3.157) 4.434 8.390 ( 1.943 0.000 -1.873) 2.699 8.390 ( 1.943 0.000 1.873) 2.699 8.468 ( -0.111 0.000 -0.432) 0.446 8.468 ( -0.111 0.000 0.432) 0.446 8.507 ( -0.118 0.000 -0.493) 0.507 8.507 ( -0.118 0.000 0.493) 0.507 8.527 ( -0.845 0.000 -4.098) 4.184 8.527 ( -0.845 0.000 4.098) 4.184 9.069 ( -0.190 0.000 -2.610) 2.617 9.069 ( -0.190 0.000 2.610) 2.617 9.130 ( 1.460 0.000 -1.616) 2.177 9.130 ( 1.460 0.000 1.616) 2.177 9.180 ( 0.243 0.000 -0.958) 0.988 9.180 ( 0.243 0.000 0.958) 0.988 9.327 ( 0.269 0.000 -0.857) 0.898 9.327 ( 0.269 0.000 0.857) 0.898 9.440 ( -2.297 0.000 -1.342) 2.660 9.440 ( -2.297 0.000 1.342) 2.660 9.787 ( 1.830 0.000 -0.437) 1.882 9.787 ( 1.830 0.000 0.437) 1.882 9.827 ( 1.243 0.000 -0.431) 1.316 9.827 ( 1.243 0.000 0.431) 1.316 9.884 ( -1.106 0.000 -0.427) 1.185 9.884 ( -1.106 0.000 0.427) 1.185 10.027 ( 3.188 0.000 -3.818) 4.974 10.027 ( 3.188 0.000 3.818) 4.974 10.268 ( -1.753 0.000 -1.111) 2.076 10.268 ( -1.753 0.000 1.111) 2.076 10.773 ( 0.356 0.000 -0.265) 0.444 10.773 ( 0.356 0.000 0.265) 0.444 10.843 ( -0.553 0.000 -1.133) 1.260 10.843 ( -0.553 0.000 1.133) 1.260 10.859 ( 1.074 0.000 -1.200) 1.610 10.859 ( 1.074 0.000 1.200) 1.610 11.111 ( -0.713 0.000 -0.189) 0.738 11.111 ( -0.713 0.000 0.189) 0.738 11.369 ( 0.169 0.000 -0.681) 0.702 11.369 ( 0.169 0.000 0.681) 0.702 11.656 ( 0.259 0.000 -0.460) 0.528 11.656 ( 0.259 0.000 0.460) 0.528 11.910 ( 6.794 0.000 -1.100) 6.883 11.910 ( 6.794 0.000 1.100) 6.883 12.079 ( -8.856 0.000 -1.497) 8.982 12.079 ( -8.856 0.000 1.497) 8.982 12.658 ( -5.423 0.000 -3.211) 6.302 12.658 ( -5.423 0.000 3.211) 6.302 13.187 ( 8.556 0.000 -1.424) 8.673 13.187 ( 8.556 0.000 1.424) 8.673 13.221 ( -3.623 0.000 -4.455) 5.742 13.221 ( -3.623 0.000 4.455) 5.742 13.354 ( -6.554 0.000 -0.814) 6.605 13.354 ( -6.554 0.000 0.814) 6.605 14.602 ( 4.312 0.000 -2.859) 5.174 14.602 ( 4.312 0.000 2.859) 5.174 15.142 ( -1.313 0.000 -2.995) 3.270 15.142 ( -1.313 0.000 2.995) 3.270 15.629 ( 1.866 0.000 -0.625) 1.968 15.629 ( 1.866 0.000 0.625) 1.968 15.695 ( -0.797 0.000 -0.162) 0.814 15.695 ( -0.797 0.000 0.162) 0.814 ======================= Grid point 100 (34/45) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 7.071 -15.234) 16.795 0.938 ( 0.000 7.071 15.234) 16.795 1.132 ( 0.000 10.032 -18.429) 20.983 1.132 ( 0.000 10.032 18.429) 20.983 1.774 ( 0.000 12.897 -2.987) 13.238 1.774 ( 0.000 12.897 2.987) 13.238 1.937 ( 0.000 1.023 -8.129) 8.193 1.937 ( 0.000 1.023 8.129) 8.193 1.980 ( 0.000 7.236 -4.142) 8.338 1.980 ( 0.000 7.236 4.142) 8.338 2.066 ( 0.000 -4.704 -1.154) 4.843 2.066 ( 0.000 -4.704 1.154) 4.843 2.177 ( 0.000 10.716 -30.656) 32.475 2.177 ( 0.000 10.716 30.656) 32.475 2.245 ( 0.000 -3.476 -1.278) 3.703 2.245 ( 0.000 -3.476 1.278) 3.703 2.320 ( 0.000 0.560 -1.958) 2.037 2.320 ( 0.000 0.560 1.958) 2.037 2.461 ( 0.000 2.279 -2.960) 3.735 2.461 ( 0.000 2.279 2.960) 3.735 2.690 ( 0.000 4.140 -3.590) 5.480 2.690 ( 0.000 4.140 3.590) 5.480 2.801 ( 0.000 4.711 -3.772) 6.035 2.801 ( 0.000 4.711 3.772) 6.035 2.855 ( 0.000 -3.635 -5.985) 7.003 2.855 ( 0.000 -3.635 5.985) 7.003 2.983 ( 0.000 -1.977 -0.938) 2.188 2.983 ( 0.000 -1.977 0.938) 2.188 3.235 ( 0.000 0.474 -3.506) 3.538 3.235 ( 0.000 0.474 3.506) 3.538 3.316 ( 0.000 3.589 -5.808) 6.827 3.316 ( 0.000 3.589 5.808) 6.827 3.433 ( 0.000 8.832 -1.629) 8.981 3.433 ( 0.000 8.832 1.629) 8.981 3.488 ( 0.000 5.713 -2.924) 6.418 3.488 ( 0.000 5.713 2.924) 6.418 3.624 ( 0.000 11.676 -3.930) 12.320 3.624 ( 0.000 11.676 3.930) 12.320 3.664 ( 0.000 7.270 -1.036) 7.343 3.664 ( 0.000 7.270 1.036) 7.343 3.739 ( 0.000 1.732 -1.092) 2.048 3.739 ( 0.000 1.732 1.092) 2.048 4.028 ( 0.000 10.562 -1.748) 10.706 4.028 ( 0.000 10.562 1.748) 10.706 4.058 ( 0.000 -1.208 -0.082) 1.211 4.058 ( 0.000 -1.208 0.082) 1.211 4.258 ( 0.000 4.948 -5.526) 7.418 4.258 ( 0.000 4.948 5.526) 7.418 4.565 ( 0.000 -1.554 -5.229) 5.455 4.565 ( 0.000 -1.554 5.229) 5.455 5.160 ( 0.000 -10.146 -11.063) 15.011 5.160 ( 0.000 -10.146 11.063) 15.011 5.627 ( 0.000 -8.378 -3.258) 8.989 5.627 ( 0.000 -8.378 3.258) 8.989 5.784 ( 0.000 -10.206 -2.368) 10.477 5.784 ( 0.000 -10.206 2.368) 10.477 6.133 ( 0.000 8.866 -2.114) 9.114 6.133 ( 0.000 8.866 2.114) 9.114 6.352 ( 0.000 12.891 -2.094) 13.060 6.352 ( 0.000 12.891 2.094) 13.060 6.506 ( 0.000 -3.961 -2.806) 4.854 6.506 ( 0.000 -3.961 2.806) 4.854 6.615 ( 0.000 -4.031 -0.200) 4.036 6.615 ( 0.000 -4.031 0.200) 4.036 6.817 ( 0.000 2.468 -7.913) 8.289 6.817 ( 0.000 2.468 7.913) 8.289 6.890 ( 0.000 1.942 -6.715) 6.990 6.890 ( 0.000 1.942 6.715) 6.990 7.500 ( 0.000 -2.793 -3.311) 4.331 7.500 ( 0.000 -2.793 3.311) 4.331 7.912 ( 0.000 -5.732 -1.764) 5.998 7.912 ( 0.000 -5.732 1.764) 5.998 8.182 ( 0.000 -9.257 -0.638) 9.279 8.182 ( 0.000 -9.257 0.638) 9.279 8.383 ( 0.000 -6.360 -0.396) 6.372 8.383 ( 0.000 -6.360 0.396) 6.372 8.530 ( 0.000 2.306 -0.489) 2.358 8.530 ( 0.000 2.306 0.489) 2.358 8.657 ( 0.000 5.835 -2.936) 6.532 8.657 ( 0.000 5.835 2.936) 6.532 8.995 ( 0.000 -5.931 -5.327) 7.972 8.995 ( 0.000 -5.931 5.327) 7.972 9.103 ( 0.000 -5.033 -2.653) 5.689 9.103 ( 0.000 -5.033 2.653) 5.689 9.229 ( 0.000 2.571 -2.870) 3.853 9.229 ( 0.000 2.571 2.870) 3.853 9.271 ( 0.000 3.764 -0.763) 3.840 9.271 ( 0.000 3.764 0.763) 3.840 9.578 ( 0.000 -3.572 -1.632) 3.927 9.578 ( 0.000 -3.572 1.632) 3.927 9.648 ( 0.000 6.094 -3.216) 6.891 9.648 ( 0.000 6.094 3.216) 6.891 9.821 ( 0.000 -0.818 -0.163) 0.834 9.821 ( 0.000 -0.818 0.163) 0.834 9.882 ( 0.000 5.907 -0.105) 5.908 9.882 ( 0.000 5.907 0.105) 5.908 9.992 ( 0.000 4.966 -0.529) 4.994 9.992 ( 0.000 4.966 0.529) 4.994 10.307 ( 0.000 -1.612 -0.905) 1.849 10.307 ( 0.000 -1.612 0.905) 1.849 10.746 ( 0.000 -0.977 -0.588) 1.140 10.746 ( 0.000 -0.977 0.588) 1.140 10.773 ( 0.000 -2.456 -0.440) 2.495 10.773 ( 0.000 -2.456 0.440) 2.495 10.908 ( 0.000 2.913 -0.386) 2.938 10.908 ( 0.000 2.913 0.386) 2.938 11.182 ( 0.000 3.429 -0.070) 3.430 11.182 ( 0.000 3.429 0.070) 3.430 11.363 ( 0.000 -1.951 -1.443) 2.427 11.363 ( 0.000 -1.951 1.443) 2.427 11.575 ( 0.000 -1.076 -1.248) 1.648 11.575 ( 0.000 -1.076 1.248) 1.648 11.809 ( 0.000 4.408 -0.317) 4.419 11.809 ( 0.000 4.408 0.317) 4.419 12.416 ( 0.000 4.824 -1.916) 5.190 12.416 ( 0.000 4.824 1.916) 5.190 12.894 ( 0.000 -17.033 -6.023) 18.066 12.894 ( 0.000 -17.033 6.023) 18.066 13.028 ( 0.000 9.699 -1.643) 9.837 13.028 ( 0.000 9.699 1.643) 9.837 13.240 ( 0.000 -8.430 -18.183) 20.042 13.240 ( 0.000 -8.430 18.183) 20.042 13.582 ( 0.000 -3.647 -2.477) 4.409 13.582 ( 0.000 -3.647 2.477) 4.409 14.426 ( 0.000 12.957 -3.340) 13.380 14.426 ( 0.000 12.957 3.340) 13.380 15.177 ( 0.000 -4.626 -4.714) 6.604 15.177 ( 0.000 -4.626 4.714) 6.604 15.497 ( 0.000 -2.636 -0.806) 2.756 15.497 ( 0.000 -2.636 0.806) 2.756 15.698 ( 0.000 -1.408 -0.416) 1.468 15.698 ( 0.000 -1.408 0.416) 1.468 ======================= Grid point 102 (35/45) ======================= q-point: ( 0.20 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 10.662 4.247 -12.987) 17.331 1.063 ( 10.662 4.247 12.987) 17.331 1.207 ( 7.336 10.450 -14.023) 18.965 1.207 ( 7.336 10.450 14.023) 18.965 1.767 ( -3.241 8.905 -3.787) 10.205 1.767 ( -3.241 8.905 3.787) 10.205 1.910 ( -2.976 3.351 -0.984) 4.589 1.910 ( -2.976 3.351 0.984) 4.589 1.944 ( -0.076 4.378 -3.235) 5.444 1.944 ( -0.076 4.378 3.235) 5.444 2.051 ( -2.709 0.836 -2.737) 3.941 2.051 ( -2.709 0.836 2.737) 3.941 2.088 ( -3.498 2.051 -8.766) 9.659 2.088 ( -3.498 2.051 8.766) 9.659 2.304 ( -0.878 2.666 -7.046) 7.585 2.304 ( -0.878 2.666 7.046) 7.585 2.357 ( 5.723 3.039 -8.142) 10.406 2.357 ( 5.723 3.039 8.142) 10.406 2.469 ( 1.016 3.717 -3.791) 5.406 2.469 ( 1.016 3.717 3.791) 5.406 2.676 ( -0.689 1.883 -2.689) 3.355 2.676 ( -0.689 1.883 2.689) 3.355 2.790 ( -1.650 2.205 -4.372) 5.167 2.790 ( -1.650 2.205 4.372) 5.167 2.845 ( -0.802 0.108 -7.312) 7.357 2.845 ( -0.802 0.108 7.312) 7.357 3.012 ( 0.030 -2.051 -7.797) 8.062 3.012 ( 0.030 -2.051 7.797) 8.062 3.228 ( -0.691 0.563 -6.840) 6.898 3.228 ( -0.691 0.563 6.840) 6.898 3.273 ( -2.404 3.733 -3.720) 5.792 3.273 ( -2.404 3.733 3.720) 5.792 3.391 ( -2.544 9.991 -1.076) 10.366 3.391 ( -2.544 9.991 1.076) 10.366 3.479 ( -0.892 5.104 -3.389) 6.191 3.479 ( -0.892 5.104 3.389) 6.191 3.637 ( 1.079 10.115 -4.843) 11.266 3.637 ( 1.079 10.115 4.843) 11.266 3.710 ( 3.575 6.837 -1.343) 7.831 3.710 ( 3.575 6.837 1.343) 7.831 3.805 ( 5.877 0.599 -3.312) 6.773 3.805 ( 5.877 0.599 3.312) 6.773 4.006 ( -1.728 5.823 -2.440) 6.546 4.006 ( -1.728 5.823 2.440) 6.546 4.094 ( 2.491 2.959 -1.154) 4.036 4.094 ( 2.491 2.959 1.154) 4.036 4.233 ( -2.482 4.444 -5.217) 7.289 4.233 ( -2.482 4.444 5.217) 7.289 4.598 ( 2.899 -2.016 -4.586) 5.788 4.598 ( 2.899 -2.016 4.586) 5.788 5.079 ( -6.593 -9.346 -8.243) 14.098 5.079 ( -6.593 -9.346 8.243) 14.098 5.666 ( 3.197 -8.084 -2.831) 9.143 5.666 ( 3.197 -8.084 2.831) 9.143 5.789 ( 0.291 -10.493 -2.101) 10.705 5.789 ( 0.291 -10.493 2.101) 10.705 6.140 ( 0.431 8.809 -1.951) 9.033 6.140 ( 0.431 8.809 1.951) 9.033 6.328 ( -1.952 13.009 -1.820) 13.280 6.328 ( -1.952 13.009 1.820) 13.280 6.502 ( -0.457 -3.971 -1.930) 4.439 6.502 ( -0.457 -3.971 1.930) 4.439 6.631 ( 1.389 -4.545 -0.632) 4.794 6.631 ( 1.389 -4.545 0.632) 4.794 6.823 ( 0.510 2.471 -6.531) 7.001 6.823 ( 0.510 2.471 6.531) 7.001 6.891 ( 0.099 1.862 -5.722) 6.019 6.891 ( 0.099 1.862 5.722) 6.019 7.507 ( 0.754 -2.473 -4.265) 4.988 7.507 ( 0.754 -2.473 4.265) 4.988 7.871 ( -3.497 -4.281 -4.488) 7.120 7.871 ( -3.497 -4.281 4.488) 7.120 8.200 ( 1.622 -9.947 -1.284) 10.160 8.200 ( 1.622 -9.947 1.284) 10.160 8.363 ( -1.698 -6.837 -1.784) 7.267 8.363 ( -1.698 -6.837 1.784) 7.267 8.536 ( 0.378 3.158 -0.240) 3.190 8.536 ( 0.378 3.158 0.240) 3.190 8.679 ( 1.778 6.009 -2.993) 6.945 8.679 ( 1.778 6.009 2.993) 6.945 9.005 ( 0.859 -5.585 -3.695) 6.751 9.005 ( 0.859 -5.585 3.695) 6.751 9.072 ( -2.337 -4.389 -4.335) 6.597 9.072 ( -2.337 -4.389 4.335) 6.597 9.233 ( 1.378 3.820 -0.428) 4.084 9.233 ( 1.378 3.820 0.428) 4.084 9.292 ( 0.934 0.585 -1.649) 1.983 9.292 ( 0.934 0.585 1.649) 1.983 9.587 ( -1.572 4.664 -1.720) 5.213 9.587 ( -1.572 4.664 1.720) 5.213 9.672 ( 3.359 -1.543 -2.215) 4.309 9.672 ( 3.359 -1.543 2.215) 4.309 9.809 ( -0.639 -0.402 -1.227) 1.441 9.809 ( -0.639 -0.402 1.227) 1.441 9.932 ( 3.852 4.908 -2.321) 6.657 9.932 ( 3.852 4.908 2.321) 6.657 10.007 ( 1.654 4.916 -2.143) 5.612 10.007 ( 1.654 4.916 2.143) 5.612 10.275 ( -2.859 -1.590 -0.919) 3.398 10.275 ( -2.859 -1.590 0.919) 3.398 10.750 ( 0.335 -1.165 -0.826) 1.467 10.750 ( 0.335 -1.165 0.826) 1.467 10.786 ( 0.965 -2.704 -0.289) 2.886 10.786 ( 0.965 -2.704 0.289) 2.886 10.908 ( 0.205 3.478 -0.865) 3.590 10.908 ( 0.205 3.478 0.865) 3.590 11.167 ( -1.260 3.093 -0.339) 3.357 11.167 ( -1.260 3.093 0.339) 3.357 11.357 ( -0.251 -1.228 -1.542) 1.987 11.357 ( -0.251 -1.228 1.542) 1.987 11.604 ( 2.024 -1.849 -1.178) 2.984 11.604 ( 2.024 -1.849 1.178) 2.984 11.847 ( 3.725 4.483 -0.553) 5.855 11.847 ( 3.725 4.483 0.553) 5.855 12.317 ( -8.223 4.985 -1.907) 9.803 12.317 ( -8.223 4.985 1.907) 9.803 12.730 ( -11.176 -12.468 -7.265) 18.252 12.730 ( -11.176 -12.468 7.265) 18.252 13.097 ( 3.351 2.492 -4.202) 5.925 13.097 ( 3.351 2.492 4.202) 5.925 13.239 ( 1.586 0.471 -11.006) 11.130 13.239 ( 1.586 0.471 11.006) 11.130 13.599 ( -0.369 3.448 -2.386) 4.210 13.599 ( -0.369 3.448 2.386) 4.210 14.472 ( 3.734 4.129 -3.825) 6.755 14.472 ( 3.734 4.129 3.825) 6.755 15.123 ( -4.003 -5.721 -4.135) 8.115 15.123 ( -4.003 -5.721 4.135) 8.115 15.536 ( 2.947 -3.300 -1.060) 4.549 15.536 ( 2.947 -3.300 1.060) 4.549 15.690 ( -0.843 -1.861 -0.415) 2.085 15.690 ( -0.843 -1.861 0.415) 2.085 ======================= Grid point 104 (36/45) ======================= q-point: ( 0.40 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 10.495 3.674 -11.906) 16.291 1.294 ( 10.495 3.674 11.906) 16.291 1.398 ( 7.255 6.549 -4.786) 10.883 1.398 ( 7.255 6.549 4.786) 10.883 1.618 ( -7.396 4.893 -5.287) 10.324 1.618 ( -7.396 4.893 5.287) 10.324 1.819 ( -6.136 1.250 -4.960) 7.988 1.819 ( -6.136 1.250 4.960) 7.988 1.968 ( 0.992 4.943 -3.073) 5.905 1.968 ( 0.992 4.943 3.073) 5.905 2.000 ( -0.425 -0.325 -6.498) 6.520 2.000 ( -0.425 -0.325 6.498) 6.520 2.099 ( 3.843 5.612 -2.802) 7.356 2.099 ( 3.843 5.612 2.802) 7.356 2.228 ( -5.589 4.491 -3.277) 7.883 2.228 ( -5.589 4.491 3.277) 7.883 2.440 ( 1.086 3.158 -1.505) 3.663 2.440 ( 1.086 3.158 1.505) 3.663 2.556 ( 7.623 5.916 -9.531) 13.563 2.556 ( 7.623 5.916 9.531) 13.563 2.671 ( -0.932 1.882 -2.566) 3.316 2.671 ( -0.932 1.882 2.566) 3.316 2.743 ( -1.669 2.637 -2.729) 4.146 2.743 ( -1.669 2.637 2.729) 4.146 2.829 ( -1.093 1.913 -9.361) 9.617 2.829 ( -1.093 1.913 9.361) 9.617 2.899 ( -7.272 1.653 -11.099) 13.372 2.899 ( -7.272 1.653 11.099) 13.372 3.236 ( -1.140 5.288 -1.549) 5.627 3.236 ( -1.140 5.288 1.549) 5.627 3.258 ( 1.873 -2.160 -2.254) 3.641 3.258 ( 1.873 -2.160 2.254) 3.641 3.369 ( 0.407 10.893 -1.471) 10.999 3.369 ( 0.407 10.893 1.471) 10.999 3.458 ( -0.934 1.698 -1.919) 2.727 3.458 ( -0.934 1.698 1.919) 2.727 3.654 ( 0.394 8.848 -2.216) 9.129 3.654 ( 0.394 8.848 2.216) 9.129 3.783 ( 2.764 6.701 -0.872) 7.301 3.783 ( 2.764 6.701 0.872) 7.301 3.929 ( 3.096 0.233 -3.916) 4.997 3.929 ( 3.096 0.233 3.916) 4.997 3.976 ( 0.786 2.389 -1.438) 2.897 3.976 ( 0.786 2.389 1.438) 2.897 4.125 ( -0.613 2.288 -2.072) 3.147 4.125 ( -0.613 2.288 2.072) 3.147 4.171 ( -2.054 5.665 -2.366) 6.474 4.171 ( -2.054 5.665 2.366) 6.474 4.665 ( 2.783 -3.262 -2.495) 4.961 4.665 ( 2.783 -3.262 2.495) 4.961 4.950 ( -4.481 -7.692 -3.510) 9.569 4.950 ( -4.481 -7.692 3.510) 9.569 5.736 ( 3.089 -8.402 -2.189) 9.216 5.736 ( 3.089 -8.402 2.189) 9.216 5.785 ( -0.952 -10.893 -1.843) 11.088 5.785 ( -0.952 -10.893 1.843) 11.088 6.141 ( -0.241 9.641 -0.978) 9.693 6.141 ( -0.241 9.641 0.978) 9.693 6.294 ( -0.887 13.071 -0.725) 13.121 6.294 ( -0.887 13.071 0.725) 13.121 6.490 ( -0.496 -3.880 -0.582) 3.955 6.490 ( -0.496 -3.880 0.582) 3.955 6.657 ( 0.833 -5.665 -0.602) 5.757 6.657 ( 0.833 -5.665 0.602) 5.757 6.832 ( 0.240 2.555 -2.491) 3.576 6.832 ( 0.240 2.555 2.491) 3.576 6.894 ( 0.145 1.695 -2.266) 2.834 6.894 ( 0.145 1.695 2.266) 2.834 7.529 ( 1.029 -2.147 -2.711) 3.608 7.529 ( 1.029 -2.147 2.711) 3.608 7.800 ( -2.521 -2.405 -2.978) 4.584 7.800 ( -2.521 -2.405 2.978) 4.584 8.240 ( 1.849 -11.743 -1.517) 11.984 8.240 ( 1.849 -11.743 1.517) 11.984 8.323 ( -1.757 -6.523 -1.799) 6.991 8.323 ( -1.757 -6.523 1.799) 6.991 8.541 ( 0.134 3.908 -0.243) 3.918 8.541 ( 0.134 3.908 0.243) 3.918 8.711 ( 0.978 7.102 -1.541) 7.332 8.711 ( 0.978 7.102 1.541) 7.332 9.022 ( 0.639 -4.899 -0.966) 5.034 9.022 ( 0.639 -4.899 0.966) 5.034 9.036 ( -0.939 -5.092 -2.614) 5.801 9.036 ( -0.939 -5.092 2.614) 5.801 9.272 ( 1.784 4.108 -1.084) 4.608 9.272 ( 1.784 4.108 1.084) 4.608 9.299 ( -0.274 -1.081 -1.145) 1.598 9.299 ( -0.274 -1.081 1.145) 1.598 9.540 ( -1.810 8.126 -0.881) 8.372 9.540 ( -1.810 8.126 0.881) 8.372 9.735 ( 1.997 -4.586 -1.071) 5.115 9.735 ( 1.997 -4.586 1.071) 5.115 9.795 ( -0.745 -0.424 -1.213) 1.485 9.795 ( -0.745 -0.424 1.213) 1.485 9.987 ( 1.127 7.167 -0.989) 7.322 9.987 ( 1.127 7.167 0.989) 7.322 10.077 ( 4.285 3.878 -4.190) 7.138 10.077 ( 4.285 3.878 4.190) 7.138 10.203 ( -3.669 -3.120 -2.673) 5.508 10.203 ( -3.669 -3.120 2.673) 5.508 10.757 ( 0.241 -1.481 -0.422) 1.558 10.757 ( 0.241 -1.481 0.422) 1.558 10.799 ( 0.218 -2.871 -0.555) 2.932 10.799 ( 0.218 -2.871 0.555) 2.932 10.920 ( 0.713 4.368 -0.665) 4.476 10.920 ( 0.713 4.368 0.665) 4.476 11.140 ( -0.999 2.609 -0.378) 2.819 11.140 ( -0.999 2.609 0.378) 2.819 11.358 ( 0.166 -0.926 -0.640) 1.138 11.358 ( 0.166 -0.926 0.640) 1.138 11.629 ( 0.323 -2.243 -0.345) 2.292 11.629 ( 0.323 -2.243 0.345) 2.292 11.960 ( 7.030 4.759 -1.074) 8.557 11.960 ( 7.030 4.759 1.074) 8.557 12.131 ( -9.017 4.915 -1.541) 10.384 12.131 ( -9.017 4.915 1.541) 10.384 12.567 ( -3.746 -7.698 -3.323) 9.184 12.567 ( -3.746 -7.698 3.323) 9.184 13.082 ( -2.099 -7.973 -3.999) 9.163 13.082 ( -2.099 -7.973 3.999) 9.163 13.366 ( 8.206 12.415 -2.791) 15.141 13.366 ( 8.206 12.415 2.791) 15.141 13.532 ( -5.766 12.214 -1.440) 13.583 13.532 ( -5.766 12.214 1.440) 13.583 14.541 ( 2.106 -5.216 -1.869) 5.928 14.541 ( 2.106 -5.216 1.869) 5.928 15.056 ( -1.900 -7.841 -1.789) 8.264 15.056 ( -1.900 -7.841 1.789) 8.264 15.592 ( 2.042 -3.444 -0.576) 4.045 15.592 ( 2.042 -3.444 0.576) 4.045 15.666 ( -1.210 -2.717 -0.388) 2.999 15.666 ( -1.210 -2.717 0.388) 2.999 ======================= Grid point 110 (37/45) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 13.629 -11.211) 17.648 1.153 ( 0.000 13.629 11.211) 17.648 1.344 ( 0.000 10.925 -15.290) 18.792 1.344 ( 0.000 10.925 15.290) 18.792 1.853 ( 0.000 -5.048 -5.509) 7.472 1.853 ( 0.000 -5.048 5.509) 7.472 2.011 ( 0.000 -1.326 -0.478) 1.409 2.011 ( 0.000 -1.326 0.478) 1.409 2.036 ( 0.000 1.760 -1.302) 2.189 2.036 ( 0.000 1.760 1.302) 2.189 2.108 ( 0.000 10.269 -0.610) 10.287 2.108 ( 0.000 10.269 0.610) 10.287 2.210 ( 0.000 0.086 -0.127) 0.154 2.210 ( 0.000 0.086 0.127) 0.154 2.378 ( 0.000 3.859 -3.091) 4.944 2.378 ( 0.000 3.859 3.091) 4.944 2.479 ( 0.000 13.681 -17.535) 22.240 2.479 ( 0.000 13.681 17.535) 22.240 2.497 ( 0.000 5.739 -5.399) 7.879 2.497 ( 0.000 5.739 5.399) 7.879 2.708 ( 0.000 -1.274 -6.030) 6.163 2.708 ( 0.000 -1.274 6.030) 6.163 2.881 ( 0.000 -0.417 -0.801) 0.903 2.881 ( 0.000 -0.417 0.801) 0.903 2.885 ( 0.000 6.846 -11.894) 13.724 2.885 ( 0.000 6.846 11.894) 13.724 2.962 ( 0.000 2.864 -5.280) 6.007 2.962 ( 0.000 2.864 5.280) 6.007 3.216 ( 0.000 -1.364 -3.712) 3.955 3.216 ( 0.000 -1.364 3.712) 3.955 3.429 ( 0.000 7.384 -4.940) 8.884 3.429 ( 0.000 7.384 4.940) 8.884 3.554 ( 0.000 3.414 -3.856) 5.150 3.554 ( 0.000 3.414 3.856) 5.150 3.674 ( 0.000 10.253 -0.799) 10.284 3.674 ( 0.000 10.253 0.799) 10.284 3.757 ( 0.000 5.629 -3.512) 6.634 3.757 ( 0.000 5.629 3.512) 6.634 3.857 ( 0.000 5.576 -0.513) 5.600 3.857 ( 0.000 5.576 0.513) 5.600 3.907 ( 0.000 13.855 -2.449) 14.069 3.907 ( 0.000 13.855 2.449) 14.069 4.060 ( 0.000 4.749 -3.864) 6.122 4.060 ( 0.000 4.749 3.864) 6.122 4.269 ( 0.000 10.450 -0.861) 10.485 4.269 ( 0.000 10.450 0.861) 10.485 4.376 ( 0.000 5.908 -9.536) 11.218 4.376 ( 0.000 5.908 9.536) 11.218 4.571 ( 0.000 4.462 -0.321) 4.474 4.571 ( 0.000 4.462 0.321) 4.474 4.919 ( 0.000 -12.922 -6.571) 14.497 4.919 ( 0.000 -12.922 6.571) 14.497 5.442 ( 0.000 -9.645 -1.425) 9.749 5.442 ( 0.000 -9.645 1.425) 9.749 5.599 ( 0.000 -8.278 -3.297) 8.910 5.599 ( 0.000 -8.278 3.297) 8.910 6.316 ( 0.000 6.738 -3.642) 7.659 6.316 ( 0.000 6.738 3.642) 7.659 6.407 ( 0.000 -3.267 -1.914) 3.786 6.407 ( 0.000 -3.267 1.914) 3.786 6.510 ( 0.000 -6.389 -0.789) 6.437 6.510 ( 0.000 -6.389 0.789) 6.437 6.604 ( 0.000 11.632 -1.808) 11.772 6.604 ( 0.000 11.632 1.808) 11.772 6.868 ( 0.000 2.594 -6.457) 6.959 6.868 ( 0.000 2.594 6.457) 6.959 6.946 ( 0.000 3.659 -4.796) 6.032 6.946 ( 0.000 3.659 4.796) 6.032 7.438 ( 0.000 -3.101 -1.444) 3.421 7.438 ( 0.000 -3.101 1.444) 3.421 7.765 ( 0.000 -8.439 -4.012) 9.344 7.765 ( 0.000 -8.439 4.012) 9.344 8.030 ( 0.000 -5.698 -0.967) 5.779 8.030 ( 0.000 -5.698 0.967) 5.779 8.261 ( 0.000 -5.904 -0.468) 5.922 8.261 ( 0.000 -5.904 0.468) 5.922 8.521 ( 0.000 -3.367 -1.653) 3.751 8.521 ( 0.000 -3.367 1.653) 3.751 8.740 ( 0.000 0.326 -4.247) 4.259 8.740 ( 0.000 0.326 4.247) 4.259 8.874 ( 0.000 -3.619 -0.866) 3.721 8.874 ( 0.000 -3.619 0.866) 3.721 9.016 ( 0.000 -2.740 -1.614) 3.180 9.016 ( 0.000 -2.740 1.614) 3.180 9.180 ( 0.000 -3.490 -2.395) 4.233 9.180 ( 0.000 -3.490 2.395) 4.233 9.370 ( 0.000 -0.875 -0.433) 0.977 9.370 ( 0.000 -0.875 0.433) 0.977 9.560 ( 0.000 3.999 -4.370) 5.924 9.560 ( 0.000 3.999 4.370) 5.924 9.693 ( 0.000 -4.233 -0.388) 4.251 9.693 ( 0.000 -4.233 0.388) 4.251 9.863 ( 0.000 9.308 -2.018) 9.525 9.863 ( 0.000 9.308 2.018) 9.525 10.058 ( 0.000 7.971 -1.597) 8.129 10.058 ( 0.000 7.971 1.597) 8.129 10.095 ( 0.000 7.288 -1.951) 7.544 10.095 ( 0.000 7.288 1.951) 7.544 10.352 ( 0.000 5.946 -3.276) 6.788 10.352 ( 0.000 5.946 3.276) 6.788 10.729 ( 0.000 -1.076 -0.115) 1.082 10.729 ( 0.000 -1.076 0.115) 1.082 10.730 ( 0.000 -1.031 -2.019) 2.267 10.730 ( 0.000 -1.031 2.019) 2.267 10.968 ( 0.000 3.014 -0.595) 3.072 10.968 ( 0.000 3.014 0.595) 3.072 11.241 ( 0.000 1.283 -0.282) 1.314 11.241 ( 0.000 1.283 0.282) 1.314 11.343 ( 0.000 1.151 -0.629) 1.311 11.343 ( 0.000 1.151 0.629) 1.311 11.555 ( 0.000 -0.874 -0.477) 0.995 11.555 ( 0.000 -0.874 0.477) 0.995 11.930 ( 0.000 7.680 -0.207) 7.683 11.930 ( 0.000 7.680 0.207) 7.683 12.445 ( 0.000 -9.153 -8.943) 12.797 12.445 ( 0.000 -9.153 8.943) 12.797 12.673 ( 0.000 2.352 -2.359) 3.331 12.673 ( 0.000 2.352 2.359) 3.331 12.957 ( 0.000 -12.463 -13.780) 18.580 12.957 ( 0.000 -12.463 13.780) 18.580 13.344 ( 0.000 5.292 -0.510) 5.316 13.344 ( 0.000 5.292 0.510) 5.316 13.446 ( 0.000 -1.223 -3.094) 3.328 13.446 ( 0.000 -1.223 3.094) 3.328 14.500 ( 0.000 -7.392 -9.755) 12.240 14.500 ( 0.000 -7.392 9.755) 12.240 15.156 ( 0.000 3.822 -10.292) 10.979 15.156 ( 0.000 3.822 10.292) 10.979 15.432 ( 0.000 -3.491 -1.412) 3.766 15.432 ( 0.000 -3.491 1.412) 3.766 15.662 ( 0.000 -2.120 -1.894) 2.843 15.662 ( 0.000 -2.120 1.894) 2.843 ======================= Grid point 112 (38/45) ======================= q-point: ( 0.20 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 5.141 9.912 -11.879) 16.303 1.208 ( 5.141 9.912 11.879) 16.303 1.429 ( 7.539 11.457 -12.160) 18.329 1.429 ( 7.539 11.457 12.160) 18.329 1.781 ( -6.513 -4.673 -5.494) 9.718 1.781 ( -6.513 -4.673 5.494) 9.718 1.972 ( -2.495 2.213 -2.825) 4.371 1.972 ( -2.495 2.213 2.825) 4.371 2.055 ( -0.163 1.515 -1.138) 1.901 2.055 ( -0.163 1.515 1.138) 1.901 2.114 ( -1.815 3.020 -2.424) 4.277 2.114 ( -1.815 3.020 2.424) 4.277 2.185 ( 0.800 9.684 -3.250) 10.246 2.185 ( 0.800 9.684 3.250) 10.246 2.365 ( -0.005 1.737 -2.030) 2.672 2.365 ( -0.005 1.737 2.030) 2.672 2.495 ( 0.491 8.070 -11.304) 13.898 2.495 ( 0.491 8.070 11.304) 13.898 2.535 ( 2.330 4.308 -7.268) 8.764 2.535 ( 2.330 4.308 7.268) 8.764 2.684 ( -1.020 0.337 -8.182) 8.252 2.684 ( -1.020 0.337 8.182) 8.252 2.847 ( -0.790 7.160 -7.033) 10.068 2.847 ( -0.790 7.160 7.033) 10.068 2.948 ( 1.750 4.241 -3.572) 5.814 2.948 ( 1.750 4.241 3.572) 5.814 2.968 ( 1.632 -0.331 -3.807) 4.155 2.968 ( 1.632 -0.331 3.807) 4.155 3.232 ( 0.944 -0.510 -4.834) 4.951 3.232 ( 0.944 -0.510 4.834) 4.951 3.368 ( -5.086 7.230 -5.266) 10.290 3.368 ( -5.086 7.230 5.266) 10.290 3.553 ( 0.206 5.796 -2.164) 6.190 3.553 ( 0.206 5.796 2.164) 6.190 3.671 ( -0.541 10.967 -2.851) 11.345 3.671 ( -0.541 10.967 2.851) 11.345 3.766 ( 1.440 3.796 -0.526) 4.094 3.766 ( 1.440 3.796 0.526) 4.094 3.886 ( 0.655 6.774 -5.057) 8.479 3.886 ( 0.655 6.774 5.057) 8.479 3.911 ( 2.244 10.618 -2.999) 11.259 3.911 ( 2.244 10.618 2.999) 11.259 4.074 ( 0.665 5.719 -3.554) 6.767 4.074 ( 0.665 5.719 3.554) 6.767 4.250 ( -1.784 8.315 -2.478) 8.858 4.250 ( -1.784 8.315 2.478) 8.858 4.358 ( -1.573 7.341 -8.360) 11.237 4.358 ( -1.573 7.341 8.360) 11.237 4.587 ( 1.307 2.826 -0.544) 3.160 4.587 ( 1.307 2.826 0.544) 3.160 4.859 ( -4.708 -11.601 -4.404) 13.271 4.859 ( -4.708 -11.601 4.404) 13.271 5.482 ( 3.228 -9.703 -1.964) 10.413 5.482 ( 3.228 -9.703 1.964) 10.413 5.602 ( 0.179 -8.325 -3.234) 8.933 5.602 ( 0.179 -8.325 3.234) 8.933 6.324 ( 0.607 6.480 -3.001) 7.167 6.324 ( 0.607 6.480 3.001) 7.167 6.402 ( -0.405 -2.816 -1.393) 3.167 6.402 ( -0.405 -2.816 1.393) 3.167 6.512 ( 0.085 -6.987 -0.343) 6.996 6.512 ( 0.085 -6.987 0.343) 6.996 6.581 ( -1.898 11.293 -1.791) 11.591 6.581 ( -1.898 11.293 1.791) 11.591 6.876 ( 0.759 2.746 -5.738) 6.407 6.876 ( 0.759 2.746 5.738) 6.407 6.943 ( -0.301 3.387 -4.537) 5.670 6.943 ( -0.301 3.387 4.537) 5.670 7.449 ( 1.015 -3.100 -1.760) 3.706 7.449 ( 1.015 -3.100 1.760) 3.706 7.754 ( -1.014 -7.123 -4.078) 8.270 7.754 ( -1.014 -7.123 4.078) 8.270 8.034 ( 0.427 -6.031 -0.575) 6.073 8.034 ( 0.427 -6.031 0.575) 6.073 8.238 ( -1.821 -5.780 -0.978) 6.138 8.238 ( -1.821 -5.780 0.978) 6.138 8.539 ( 1.365 -3.308 -1.630) 3.932 8.539 ( 1.365 -3.308 1.630) 3.932 8.755 ( 1.287 0.043 -3.640) 3.861 8.755 ( 1.287 0.043 3.640) 3.861 8.892 ( 1.530 -3.459 -0.539) 3.820 8.892 ( 1.530 -3.459 0.539) 3.820 8.997 ( -1.673 -2.327 -1.899) 3.438 8.997 ( -1.673 -2.327 1.899) 3.438 9.201 ( 1.754 -3.287 -1.473) 4.006 9.201 ( 1.754 -3.287 1.473) 4.006 9.355 ( -0.781 0.003 -1.122) 1.367 9.355 ( -0.781 0.003 1.122) 1.367 9.594 ( 2.377 0.997 -3.417) 4.280 9.594 ( 2.377 0.997 3.417) 4.280 9.690 ( -0.542 -2.893 -2.070) 3.598 9.690 ( -0.542 -2.893 2.070) 3.598 9.868 ( 0.319 9.697 -2.028) 9.912 9.868 ( 0.319 9.697 2.028) 9.912 10.060 ( 0.357 5.220 -2.695) 5.885 10.060 ( 0.357 5.220 2.695) 5.885 10.114 ( 2.047 8.059 -0.666) 8.341 10.114 ( 2.047 8.059 0.666) 8.341 10.339 ( -1.499 7.285 -3.182) 8.090 10.339 ( -1.499 7.285 3.182) 8.090 10.726 ( -0.081 -1.068 -1.248) 1.645 10.726 ( -0.081 -1.068 1.248) 1.645 10.737 ( 0.364 -1.873 -1.314) 2.317 10.737 ( 0.364 -1.873 1.314) 2.317 10.980 ( 1.209 3.589 -0.974) 3.910 10.980 ( 1.209 3.589 0.974) 3.910 11.224 ( -1.342 1.784 -0.881) 2.400 11.224 ( -1.342 1.784 0.881) 2.400 11.347 ( 0.098 0.883 -1.166) 1.466 11.347 ( 0.098 0.883 1.166) 1.466 11.569 ( 1.087 -1.482 -0.459) 1.895 11.569 ( 1.087 -1.482 0.459) 1.895 11.970 ( 3.850 7.662 -0.174) 8.577 11.970 ( 3.850 7.662 0.174) 8.577 12.371 ( -5.866 -6.033 -7.446) 11.236 12.371 ( -5.866 -6.033 7.446) 11.236 12.560 ( -8.337 2.033 -2.256) 8.873 12.560 ( -8.337 2.033 2.256) 8.873 12.940 ( -2.159 -12.056 -10.878) 16.381 12.940 ( -2.159 -12.056 10.878) 16.381 13.434 ( 7.574 4.471 -1.524) 8.927 13.434 ( 7.574 4.471 1.524) 8.927 13.554 ( 8.176 0.335 -3.907) 9.068 13.554 ( 8.176 0.335 3.907) 9.068 14.483 ( -1.305 -6.199 -8.493) 10.595 14.483 ( -1.305 -6.199 8.493) 10.595 15.067 ( -7.752 2.585 -9.232) 12.329 15.067 ( -7.752 2.585 9.232) 12.329 15.457 ( 2.171 -4.345 -0.970) 4.953 15.457 ( 2.171 -4.345 0.970) 4.953 15.640 ( -1.896 -3.006 -1.387) 3.815 15.640 ( -1.896 -3.006 1.387) 3.815 ======================= Grid point 114 (39/45) ======================= q-point: ( 0.40 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 8.943 3.921 -10.803) 14.562 1.356 ( 8.943 3.921 10.803) 14.562 1.535 ( -4.608 3.990 -4.153) 7.376 1.535 ( -4.608 3.990 4.153) 7.376 1.678 ( 2.744 4.227 -3.320) 6.035 1.678 ( 2.744 4.227 3.320) 6.035 1.894 ( -4.938 4.969 -2.887) 7.576 1.894 ( -4.938 4.969 2.887) 7.576 2.036 ( -1.377 2.950 -1.295) 3.504 2.036 ( -1.377 2.950 1.295) 3.504 2.053 ( -1.389 2.524 -0.261) 2.893 2.053 ( -1.389 2.524 0.261) 2.893 2.253 ( 3.388 7.467 -1.063) 8.269 2.253 ( 3.388 7.467 1.063) 8.269 2.372 ( 0.034 7.240 -0.831) 7.287 2.372 ( 0.034 7.240 0.831) 7.287 2.489 ( -0.836 4.094 -5.233) 6.697 2.489 ( -0.836 4.094 5.233) 6.697 2.537 ( -1.310 -4.387 -2.845) 5.390 2.537 ( -1.310 -4.387 2.845) 5.390 2.715 ( 2.694 1.340 -4.503) 5.416 2.715 ( 2.694 1.340 4.503) 5.416 2.866 ( 3.064 9.570 -2.772) 10.424 2.866 ( 3.064 9.570 2.772) 10.424 2.943 ( -1.287 4.932 -4.270) 6.649 2.943 ( -1.287 4.932 4.270) 6.649 2.985 ( -1.634 5.199 -6.122) 8.196 2.985 ( -1.634 5.199 6.122) 8.196 3.238 ( -0.111 2.471 -5.566) 6.091 3.238 ( -0.111 2.471 5.566) 6.091 3.280 ( -2.264 1.319 -2.915) 3.920 3.280 ( -2.264 1.319 2.915) 3.920 3.562 ( 0.432 8.750 -0.900) 8.806 3.562 ( 0.432 8.750 0.900) 8.806 3.656 ( -0.651 13.435 -1.113) 13.497 3.656 ( -0.651 13.435 1.113) 13.497 3.808 ( 1.765 3.612 -1.826) 4.415 3.808 ( 1.765 3.612 1.826) 4.415 3.878 ( -0.334 3.760 -3.362) 5.055 3.878 ( -0.334 3.760 3.362) 5.055 3.983 ( 2.440 6.434 -1.943) 7.150 3.983 ( 2.440 6.434 1.943) 7.150 4.080 ( 0.757 8.621 -3.871) 9.481 4.080 ( 0.757 8.621 3.871) 9.481 4.198 ( -2.895 4.596 -0.884) 5.503 4.198 ( -2.895 4.596 0.884) 5.503 4.332 ( -0.569 9.321 -3.182) 9.865 4.332 ( -0.569 9.321 3.182) 9.865 4.614 ( 0.997 -0.445 -0.429) 1.173 4.614 ( 0.997 -0.445 0.429) 1.173 4.774 ( -2.631 -8.783 -1.352) 9.268 4.774 ( -2.631 -8.783 1.352) 9.268 5.545 ( 2.267 -9.827 -2.084) 10.298 5.545 ( 2.267 -9.827 2.084) 10.298 5.601 ( -0.411 -8.304 -2.446) 8.666 5.601 ( -0.411 -8.304 2.446) 8.666 6.333 ( 0.117 5.382 -1.095) 5.493 6.333 ( 0.117 5.382 1.095) 5.493 6.398 ( 0.127 -1.038 -0.571) 1.191 6.398 ( 0.127 -1.038 0.571) 1.191 6.509 ( -0.336 -5.684 -0.157) 5.696 6.509 ( -0.336 -5.684 0.157) 5.696 6.546 ( -1.038 8.321 -0.757) 8.420 6.546 ( -1.038 8.321 0.757) 8.420 6.893 ( 0.606 3.345 -3.041) 4.561 6.893 ( 0.606 3.345 3.041) 4.561 6.936 ( -0.308 2.603 -2.645) 3.723 6.936 ( -0.308 2.603 2.645) 3.723 7.472 ( 0.882 -3.451 -1.118) 3.733 7.472 ( 0.882 -3.451 1.118) 3.733 7.730 ( -0.978 -4.645 -2.181) 5.224 7.730 ( -0.978 -4.645 2.181) 5.224 8.044 ( 0.421 -7.059 -0.347) 7.080 8.044 ( 0.421 -7.059 0.347) 7.080 8.205 ( -1.064 -5.428 -0.683) 5.574 8.205 ( -1.064 -5.428 0.683) 5.574 8.562 ( 0.675 -2.726 -0.747) 2.906 8.562 ( 0.675 -2.726 0.747) 2.906 8.783 ( 1.012 -0.949 -1.624) 2.136 8.783 ( 1.012 -0.949 1.624) 2.136 8.926 ( 1.540 -2.754 -1.237) 3.390 8.926 ( 1.540 -2.754 1.237) 3.390 8.959 ( -1.759 -2.146 -1.816) 3.316 8.959 ( -1.759 -2.146 1.816) 3.316 9.232 ( 0.844 -2.956 -0.426) 3.104 9.232 ( 0.844 -2.956 0.426) 3.104 9.349 ( 0.074 -0.043 -0.612) 0.618 9.349 ( 0.074 -0.043 0.612) 0.618 9.636 ( 1.718 -0.795 -3.332) 3.832 9.636 ( 1.718 -0.795 3.332) 3.832 9.668 ( -1.396 -0.714 -2.907) 3.303 9.668 ( -1.396 -0.714 2.907) 3.303 9.869 ( -0.191 9.137 -1.086) 9.203 9.869 ( -0.191 9.137 1.086) 9.203 10.069 ( 0.327 1.458 -1.356) 2.018 10.069 ( 0.327 1.458 1.356) 2.018 10.186 ( 4.332 9.364 -1.017) 10.368 10.186 ( 4.332 9.364 1.017) 10.368 10.286 ( -3.489 8.864 -2.414) 9.827 10.286 ( -3.489 8.864 2.414) 9.827 10.725 ( -0.047 -1.488 -0.612) 1.610 10.725 ( -0.047 -1.488 0.612) 1.610 10.742 ( 0.083 -2.631 -0.729) 2.732 10.742 ( 0.083 -2.631 0.729) 2.732 11.010 ( 1.190 4.200 -0.747) 4.429 11.010 ( 1.190 4.200 0.747) 4.429 11.198 ( -0.913 2.766 -0.973) 3.071 11.198 ( -0.913 2.766 0.973) 3.071 11.345 ( -0.146 0.063 -0.669) 0.688 11.345 ( -0.146 0.063 0.669) 0.688 11.585 ( 0.339 -1.867 -0.161) 1.905 11.585 ( 0.339 -1.867 0.161) 1.905 12.084 ( 6.942 6.955 -0.962) 9.874 12.084 ( 6.942 6.955 0.962) 9.874 12.237 ( -7.211 2.931 -2.793) 8.270 12.237 ( -7.211 2.931 2.793) 8.270 12.421 ( -3.696 -3.412 -1.593) 5.276 12.421 ( -3.696 -3.412 1.593) 5.276 12.887 ( -1.980 -11.198 -4.081) 12.082 12.887 ( -1.980 -11.198 4.081) 12.082 13.588 ( 5.496 4.520 -1.675) 7.310 13.588 ( 5.496 4.520 1.675) 7.310 13.685 ( 3.173 2.444 -2.642) 4.798 13.685 ( 3.173 2.444 2.642) 4.798 14.468 ( 0.013 -0.434 -3.946) 3.970 14.468 ( 0.013 -0.434 3.946) 3.970 14.904 ( -5.834 -4.646 -4.082) 8.502 14.904 ( -5.834 -4.646 4.082) 8.502 15.508 ( 2.296 -4.698 -0.575) 5.260 15.508 ( 2.296 -4.698 0.575) 5.260 15.595 ( -2.073 -4.251 -0.776) 4.792 15.595 ( -2.073 -4.251 0.776) 4.792 ======================= Grid point 120 (40/45) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.000 13.624 -7.661) 15.631 1.436 ( 0.000 13.624 7.661) 15.631 1.570 ( 0.000 11.838 -9.720) 15.317 1.570 ( 0.000 11.838 9.720) 15.317 1.744 ( 0.000 -4.805 -2.232) 5.298 1.744 ( 0.000 -4.805 2.232) 5.298 1.932 ( 0.000 -4.462 -1.883) 4.843 1.932 ( 0.000 -4.462 1.883) 4.843 2.093 ( 0.000 2.889 -3.262) 4.357 2.093 ( 0.000 2.889 3.262) 4.357 2.172 ( 0.000 -0.422 -2.490) 2.525 2.172 ( 0.000 -0.422 2.490) 2.525 2.303 ( 0.000 4.693 -0.084) 4.694 2.303 ( 0.000 4.693 0.084) 4.694 2.391 ( 0.000 -3.425 -2.628) 4.317 2.391 ( 0.000 -3.425 2.628) 4.317 2.480 ( 0.000 -1.508 -3.946) 4.225 2.480 ( 0.000 -1.508 3.946) 4.225 2.657 ( 0.000 0.243 -9.313) 9.316 2.657 ( 0.000 0.243 9.313) 9.316 2.769 ( 0.000 -4.571 -2.592) 5.255 2.769 ( 0.000 -4.571 2.592) 5.255 2.917 ( 0.000 15.739 -11.690) 19.606 2.917 ( 0.000 15.739 11.690) 19.606 3.024 ( 0.000 4.229 -1.789) 4.592 3.024 ( 0.000 4.229 1.789) 4.592 3.114 ( 0.000 10.869 -6.554) 12.692 3.114 ( 0.000 10.869 6.554) 12.692 3.223 ( 0.000 2.535 -4.613) 5.264 3.223 ( 0.000 2.535 4.613) 5.264 3.546 ( 0.000 2.037 -0.834) 2.201 3.546 ( 0.000 2.037 0.834) 2.201 3.608 ( 0.000 4.460 -0.343) 4.474 3.608 ( 0.000 4.460 0.343) 4.474 3.817 ( 0.000 3.000 -4.601) 5.492 3.817 ( 0.000 3.000 4.601) 5.492 3.878 ( 0.000 2.436 -0.522) 2.492 3.878 ( 0.000 2.436 0.522) 2.492 3.918 ( 0.000 6.281 -4.880) 7.954 3.918 ( 0.000 6.281 4.880) 7.954 4.155 ( 0.000 10.832 -2.326) 11.079 4.155 ( 0.000 10.832 2.326) 11.079 4.256 ( 0.000 11.056 -3.821) 11.698 4.256 ( 0.000 11.056 3.821) 11.698 4.377 ( 0.000 2.442 -1.894) 3.090 4.377 ( 0.000 2.442 1.894) 3.090 4.478 ( 0.000 2.328 -7.564) 7.914 4.478 ( 0.000 2.328 7.564) 7.914 4.683 ( 0.000 -5.282 -2.100) 5.684 4.683 ( 0.000 -5.282 2.100) 5.684 4.778 ( 0.000 10.317 -0.998) 10.365 4.778 ( 0.000 10.317 0.998) 10.365 5.265 ( 0.000 -7.643 -0.409) 7.654 5.265 ( 0.000 -7.643 0.409) 7.654 5.456 ( 0.000 -6.018 -2.808) 6.641 5.456 ( 0.000 -6.018 2.808) 6.641 6.240 ( 0.000 -6.419 -0.598) 6.447 6.240 ( 0.000 -6.419 0.598) 6.447 6.367 ( 0.000 -7.747 -1.395) 7.872 6.367 ( 0.000 -7.747 1.395) 7.872 6.538 ( 0.000 8.605 -4.395) 9.663 6.538 ( 0.000 8.605 4.395) 9.663 6.779 ( 0.000 5.146 -0.318) 5.156 6.779 ( 0.000 5.146 0.318) 5.156 6.934 ( 0.000 4.417 -3.065) 5.376 6.934 ( 0.000 4.417 3.065) 5.376 7.032 ( 0.000 4.765 -2.217) 5.255 7.032 ( 0.000 4.765 2.217) 5.255 7.388 ( 0.000 -1.714 -0.161) 1.721 7.388 ( 0.000 -1.714 0.161) 1.721 7.598 ( 0.000 -8.048 -2.409) 8.401 7.598 ( 0.000 -8.048 2.409) 8.401 7.948 ( 0.000 -2.868 -0.679) 2.948 7.948 ( 0.000 -2.868 0.679) 2.948 8.153 ( 0.000 -4.747 -0.240) 4.753 8.153 ( 0.000 -4.747 0.240) 4.753 8.427 ( 0.000 -4.825 -3.031) 5.698 8.427 ( 0.000 -4.825 3.031) 5.698 8.635 ( 0.000 -7.454 -1.882) 7.688 8.635 ( 0.000 -7.454 1.882) 7.688 8.895 ( 0.000 2.619 -0.148) 2.623 8.895 ( 0.000 2.619 0.148) 2.623 8.993 ( 0.000 -0.084 -0.494) 0.501 8.993 ( 0.000 -0.084 0.494) 0.501 9.114 ( 0.000 -2.860 -1.556) 3.256 9.114 ( 0.000 -2.860 1.556) 3.256 9.302 ( 0.000 -3.933 -0.089) 3.934 9.302 ( 0.000 -3.933 0.089) 3.934 9.601 ( 0.000 -3.816 -0.757) 3.891 9.601 ( 0.000 -3.816 0.757) 3.891 9.635 ( 0.000 1.968 -2.556) 3.226 9.635 ( 0.000 1.968 2.556) 3.226 10.100 ( 0.000 12.703 -1.808) 12.832 10.100 ( 0.000 12.703 1.808) 12.832 10.156 ( 0.000 4.264 -0.278) 4.273 10.156 ( 0.000 4.264 0.278) 4.273 10.296 ( 0.000 9.585 -1.446) 9.693 10.296 ( 0.000 9.585 1.446) 9.693 10.488 ( 0.000 6.377 -4.702) 7.923 10.488 ( 0.000 6.377 4.702) 7.923 10.709 ( 0.000 -0.374 -3.204) 3.226 10.709 ( 0.000 -0.374 3.204) 3.226 10.734 ( 0.000 0.761 -0.960) 1.225 10.734 ( 0.000 0.761 0.960) 1.225 11.029 ( 0.000 3.261 -0.595) 3.315 11.029 ( 0.000 3.261 0.595) 3.315 11.237 ( 0.000 -0.515 -0.204) 0.554 11.237 ( 0.000 -0.515 0.204) 0.554 11.396 ( 0.000 2.656 -0.136) 2.660 11.396 ( 0.000 2.656 0.136) 2.660 11.537 ( 0.000 -1.168 -0.134) 1.176 11.537 ( 0.000 -1.168 0.134) 1.176 12.105 ( 0.000 8.605 -0.865) 8.649 12.105 ( 0.000 8.605 0.865) 8.649 12.197 ( 0.000 -10.435 -9.715) 14.258 12.197 ( 0.000 -10.435 9.715) 14.258 12.649 ( 0.000 -12.576 -6.367) 14.096 12.649 ( 0.000 -12.576 6.367) 14.096 12.899 ( 0.000 10.515 -1.110) 10.573 12.899 ( 0.000 10.515 1.110) 10.573 13.138 ( 0.000 -12.207 -1.567) 12.307 13.138 ( 0.000 -12.207 1.567) 12.307 13.674 ( 0.000 10.037 -1.392) 10.133 13.674 ( 0.000 10.037 1.392) 10.133 14.235 ( 0.000 -15.452 -12.860) 20.103 14.235 ( 0.000 -15.452 12.860) 20.103 15.250 ( 0.000 2.922 -5.464) 6.197 15.250 ( 0.000 2.922 5.464) 6.197 15.384 ( 0.000 -0.205 -4.128) 4.133 15.384 ( 0.000 -0.205 4.128) 4.133 15.618 ( 0.000 -2.270 -3.200) 3.923 15.618 ( 0.000 -2.270 3.200) 3.923 ======================= Grid point 122 (41/45) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.418 12.401 -8.574) 15.082 1.436 ( 0.418 12.401 8.574) 15.082 1.651 ( 5.122 9.130 -5.409) 11.783 1.651 ( 5.122 9.130 5.409) 11.783 1.697 ( -2.447 -1.749 -5.021) 5.853 1.697 ( -2.447 -1.749 5.021) 5.853 1.951 ( 1.378 -4.355 -1.874) 4.937 1.951 ( 1.378 -4.355 1.874) 4.937 2.079 ( -1.518 2.550 -4.415) 5.320 2.079 ( -1.518 2.550 4.415) 5.320 2.144 ( -1.747 0.704 -4.168) 4.573 2.144 ( -1.747 0.704 4.168) 4.573 2.316 ( -2.299 0.138 -0.910) 2.477 2.316 ( -2.299 0.138 0.910) 2.477 2.384 ( 4.077 1.317 -1.891) 4.683 2.384 ( 4.077 1.317 1.891) 4.683 2.491 ( -1.689 -2.169 -1.643) 3.203 2.491 ( -1.689 -2.169 1.643) 3.203 2.622 ( -0.162 0.447 -6.710) 6.727 2.622 ( -0.162 0.447 6.710) 6.727 2.796 ( 0.300 1.804 -2.852) 3.388 2.796 ( 0.300 1.804 2.852) 3.388 2.913 ( 0.388 5.856 -1.859) 6.156 2.913 ( 0.388 5.856 1.859) 6.156 3.007 ( -1.427 5.368 -0.979) 5.640 3.007 ( -1.427 5.368 0.979) 5.640 3.124 ( 0.976 9.750 -4.994) 10.998 3.124 ( 0.976 9.750 4.994) 10.998 3.251 ( 2.130 3.017 -4.361) 5.714 3.251 ( 2.130 3.017 4.361) 5.714 3.514 ( -4.242 5.356 -2.968) 7.449 3.514 ( -4.242 5.356 2.968) 7.449 3.614 ( 2.157 2.293 -2.030) 3.746 3.614 ( 2.157 2.293 2.030) 3.746 3.807 ( -0.899 3.423 -2.791) 4.507 3.807 ( -0.899 3.423 2.791) 4.507 3.893 ( 1.525 5.547 -1.351) 5.909 3.893 ( 1.525 5.547 1.351) 5.909 3.949 ( 2.382 3.307 -4.296) 5.921 3.949 ( 2.382 3.307 4.296) 5.921 4.138 ( -1.385 10.591 -2.648) 11.004 4.138 ( -1.385 10.591 2.648) 11.004 4.264 ( 0.587 10.132 -4.187) 10.979 4.264 ( 0.587 10.132 4.187) 10.979 4.360 ( -1.938 4.003 -2.858) 5.286 4.360 ( -1.938 4.003 2.858) 5.286 4.467 ( -0.925 1.628 -7.043) 7.288 4.467 ( -0.925 1.628 7.043) 7.288 4.659 ( -1.465 -3.804 -2.509) 4.786 4.659 ( -1.465 -3.804 2.509) 4.786 4.756 ( -2.000 9.731 -1.603) 10.063 4.756 ( -2.000 9.731 1.603) 10.063 5.303 ( 3.172 -7.842 -1.546) 8.599 5.303 ( 3.172 -7.842 1.546) 8.599 5.456 ( -0.088 -6.232 -2.915) 6.881 5.456 ( -0.088 -6.232 2.915) 6.881 6.240 ( 0.002 -6.410 -0.374) 6.421 6.240 ( 0.002 -6.410 0.374) 6.421 6.358 ( -0.742 -8.006 -0.976) 8.100 6.358 ( -0.742 -8.006 0.976) 8.100 6.543 ( 0.572 8.621 -3.916) 9.486 6.543 ( 0.572 8.621 3.916) 9.486 6.755 ( -2.119 5.437 -1.681) 6.073 6.755 ( -2.119 5.437 1.681) 6.073 6.942 ( 0.829 4.173 -2.979) 5.194 6.942 ( 0.829 4.173 2.979) 5.194 7.023 ( -0.784 4.543 -2.200) 5.108 7.023 ( -0.784 4.543 2.200) 5.108 7.394 ( 0.504 -2.169 -0.200) 2.236 7.394 ( 0.504 -2.169 0.200) 2.236 7.604 ( 0.518 -7.694 -2.096) 7.991 7.604 ( 0.518 -7.694 2.096) 7.991 7.955 ( 0.562 -2.250 -0.548) 2.383 7.955 ( 0.562 -2.250 0.548) 2.383 8.137 ( -1.256 -4.304 -0.551) 4.517 8.137 ( -1.256 -4.304 0.551) 4.517 8.439 ( 1.066 -5.169 -2.463) 5.824 8.439 ( 1.066 -5.169 2.463) 5.824 8.653 ( 1.293 -7.554 -1.600) 7.829 8.653 ( 1.293 -7.554 1.600) 7.829 8.903 ( 0.795 2.023 -0.456) 2.221 8.903 ( 0.795 2.023 0.456) 2.221 8.980 ( -1.108 0.198 -0.427) 1.203 8.980 ( -1.108 0.198 0.427) 1.203 9.141 ( 2.200 -2.574 -0.911) 3.506 9.141 ( 2.200 -2.574 0.911) 3.506 9.296 ( -0.503 -4.053 -0.505) 4.115 9.296 ( -0.503 -4.053 0.505) 4.115 9.603 ( 0.455 -2.078 -1.522) 2.616 9.603 ( 0.455 -2.078 1.522) 2.616 9.646 ( 0.784 0.391 -1.756) 1.963 9.646 ( 0.784 0.391 1.756) 1.963 10.098 ( -0.755 11.167 -1.081) 11.244 10.098 ( -0.755 11.167 1.081) 11.244 10.151 ( -0.366 5.093 -1.040) 5.211 10.151 ( -0.366 5.093 1.040) 5.211 10.304 ( 1.877 9.317 -2.524) 9.834 10.304 ( 1.877 9.317 2.524) 9.834 10.496 ( 0.136 7.212 -3.887) 8.194 10.496 ( 0.136 7.212 3.887) 8.194 10.704 ( -0.381 -0.866 -2.535) 2.706 10.704 ( -0.381 -0.866 2.535) 2.706 10.725 ( -0.844 0.480 -0.705) 1.199 10.725 ( -0.844 0.480 0.705) 1.199 11.047 ( 1.522 3.135 -1.232) 3.696 11.047 ( 1.522 3.135 1.232) 3.696 11.235 ( -0.063 0.090 -1.055) 1.061 11.235 ( -0.063 0.090 1.055) 1.061 11.389 ( -0.762 2.370 -0.387) 2.520 11.389 ( -0.762 2.370 0.387) 2.520 11.544 ( 0.645 -1.293 -0.140) 1.451 11.544 ( 0.645 -1.293 0.140) 1.451 12.114 ( -0.236 0.809 -3.979) 4.067 12.114 ( -0.236 0.809 3.979) 4.067 12.197 ( 1.720 -1.549 -4.466) 5.030 12.197 ( 1.720 -1.549 4.466) 5.030 12.605 ( -3.910 -8.061 -4.896) 10.210 12.605 ( -3.910 -8.061 4.896) 10.210 12.822 ( -6.176 8.140 -5.254) 11.489 12.822 ( -6.176 8.140 5.254) 11.489 13.231 ( 8.376 -14.289 -4.592) 17.187 13.231 ( 8.376 -14.289 4.592) 17.187 13.713 ( 0.963 2.916 -3.763) 4.857 13.713 ( 0.963 2.916 3.763) 4.857 14.293 ( 6.970 -7.934 -10.780) 15.092 14.293 ( 6.970 -7.934 10.780) 15.092 15.185 ( -7.743 6.773 -8.534) 13.366 15.185 ( -7.743 6.773 8.534) 13.366 15.379 ( 0.596 -2.930 -1.541) 3.364 15.379 ( 0.596 -2.930 1.541) 3.364 15.572 ( -3.555 -3.791 -1.846) 5.515 15.572 ( -3.555 -3.791 1.846) 5.515 ======================= Grid point 124 (42/45) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 3.220 7.627 -7.734) 11.329 1.470 ( 3.220 7.627 7.734) 11.329 1.569 ( -5.758 1.684 -5.088) 7.866 1.569 ( -5.758 1.684 5.088) 7.866 1.821 ( 6.250 7.644 -4.399) 10.810 1.821 ( 6.250 7.644 4.400) 10.810 1.958 ( -1.142 -0.471 -0.637) 1.390 1.958 ( -1.142 -0.471 0.637) 1.390 2.057 ( 0.017 -0.254 -2.790) 2.801 2.057 ( 0.017 -0.254 2.790) 2.801 2.101 ( -2.132 2.921 -2.327) 4.301 2.101 ( -2.132 2.921 2.327) 4.301 2.270 ( -1.387 -2.310 -1.371) 3.024 2.270 ( -1.387 -2.310 1.371) 3.024 2.431 ( -1.759 -3.843 -0.654) 4.276 2.431 ( -1.759 -3.843 0.654) 4.276 2.500 ( 4.343 3.937 -1.323) 6.010 2.500 ( 4.343 3.937 1.323) 6.010 2.634 ( 0.052 3.490 -1.738) 3.899 2.634 ( 0.052 3.490 1.738) 3.899 2.784 ( -0.774 6.535 -1.715) 6.800 2.784 ( -0.774 6.535 1.715) 6.800 2.927 ( 0.908 -0.769 -2.930) 3.162 2.927 ( 0.908 -0.769 2.930) 3.162 2.980 ( -1.227 0.704 -2.594) 2.955 2.980 ( -1.227 0.704 2.594) 2.955 3.142 ( 0.467 7.399 -2.568) 7.846 3.142 ( 0.467 7.399 2.568) 7.846 3.301 ( 2.702 5.141 -5.327) 7.881 3.301 ( 2.702 5.141 5.327) 7.881 3.405 ( -5.005 6.844 -4.440) 9.571 3.405 ( -5.005 6.844 4.440) 9.571 3.679 ( 2.883 3.564 -1.249) 4.751 3.679 ( 2.883 3.564 1.249) 4.751 3.786 ( -1.003 1.738 -1.110) 2.293 3.786 ( -1.003 1.738 1.110) 2.293 3.925 ( 1.083 7.084 -1.536) 7.329 3.925 ( 1.083 7.084 1.536) 7.329 3.992 ( 1.287 6.046 -0.168) 6.183 3.992 ( 1.287 6.046 0.168) 6.183 4.112 ( -0.781 5.647 -2.783) 6.344 4.112 ( -0.781 5.647 2.783) 6.344 4.267 ( -0.457 8.733 -3.543) 9.435 4.267 ( -0.457 8.733 3.543) 9.435 4.310 ( -1.735 7.335 -2.452) 7.926 4.310 ( -1.735 7.335 2.452) 7.926 4.450 ( -0.483 -0.071 -3.335) 3.371 4.450 ( -0.483 -0.071 3.335) 3.371 4.656 ( 1.231 2.023 -4.118) 4.750 4.656 ( 1.231 2.023 4.118) 4.750 4.706 ( -2.527 6.185 -2.475) 7.125 4.706 ( -2.527 6.185 2.475) 7.125 5.369 ( 2.528 -7.532 -1.927) 8.175 5.369 ( 2.528 -7.532 1.927) 8.175 5.447 ( -0.775 -6.924 -2.328) 7.346 5.447 ( -0.775 -6.924 2.328) 7.346 6.240 ( 0.018 -6.222 -0.140) 6.224 6.240 ( 0.018 -6.222 0.140) 6.224 6.343 ( -0.547 -8.470 -0.269) 8.491 6.343 ( -0.547 -8.470 0.269) 8.491 6.560 ( 0.790 8.896 -1.954) 9.142 6.560 ( 0.790 8.896 1.954) 9.142 6.708 ( -1.790 5.339 -1.194) 5.756 6.708 ( -1.790 5.339 1.194) 5.756 6.965 ( 1.199 4.115 -2.190) 4.813 6.965 ( 1.199 4.115 2.190) 4.813 7.003 ( -1.074 4.087 -1.895) 4.632 7.003 ( -1.074 4.087 1.895) 4.632 7.404 ( 0.317 -2.983 -0.133) 3.003 7.404 ( 0.317 -2.983 0.133) 3.003 7.614 ( 0.296 -7.000 -0.906) 7.064 7.614 ( 0.296 -7.000 0.906) 7.064 7.964 ( 0.182 -1.377 -0.210) 1.404 7.964 ( 0.182 -1.377 0.210) 1.404 8.115 ( -0.612 -3.521 -0.276) 3.584 8.115 ( -0.612 -3.521 0.276) 3.584 8.462 ( 0.808 -5.467 -0.983) 5.613 8.462 ( 0.808 -5.467 0.983) 5.613 8.673 ( 0.447 -8.161 -0.661) 8.200 8.673 ( 0.447 -8.161 0.661) 8.200 8.923 ( 0.989 0.995 -0.664) 1.552 8.923 ( 0.989 0.995 0.664) 1.552 8.955 ( -1.054 1.086 -0.703) 1.669 8.955 ( -1.054 1.086 0.703) 1.669 9.184 ( 1.408 -1.880 -0.178) 2.355 9.184 ( 1.408 -1.880 0.178) 2.355 9.285 ( -0.454 -4.837 -0.341) 4.871 9.285 ( -0.454 -4.837 0.341) 4.871 9.620 ( 0.884 -0.535 -0.967) 1.415 9.620 ( 0.884 -0.535 0.967) 1.415 9.656 ( 0.071 -0.463 -0.619) 0.776 9.656 ( 0.071 -0.463 0.619) 0.776 10.074 ( -0.992 9.542 -0.965) 9.642 10.074 ( -0.992 9.542 0.965) 9.642 10.142 ( -0.330 5.313 -0.363) 5.336 10.142 ( -0.330 5.313 0.363) 5.336 10.382 ( 4.827 9.523 -2.052) 10.872 10.382 ( 4.827 9.523 2.052) 10.872 10.470 ( -2.956 8.679 -3.546) 9.830 10.470 ( -2.956 8.679 3.546) 9.830 10.698 ( -0.096 -1.450 -1.780) 2.298 10.698 ( -0.096 -1.450 1.780) 2.298 10.705 ( -0.805 -0.701 -1.089) 1.525 10.705 ( -0.805 -0.701 1.089) 1.525 11.076 ( 0.916 2.504 -0.990) 2.844 11.076 ( 0.916 2.504 0.990) 2.844 11.236 ( 0.117 0.897 -1.138) 1.454 11.236 ( 0.117 0.897 1.138) 1.454 11.370 ( -0.728 2.335 -0.493) 2.495 11.370 ( -0.728 2.335 0.493) 2.495 11.557 ( 0.347 -1.372 -0.227) 1.433 11.557 ( 0.347 -1.372 0.227) 1.433 12.095 ( -0.741 -6.082 -2.354) 6.564 12.095 ( -0.741 -6.082 2.354) 6.564 12.278 ( 4.408 4.160 -0.508) 6.082 12.278 ( 4.408 4.160 0.508) 6.082 12.510 ( -4.329 6.187 -2.229) 7.873 12.510 ( -4.329 6.187 2.229) 7.873 12.708 ( -3.562 -1.841 -3.519) 5.335 12.708 ( -3.562 -1.841 3.519) 5.335 13.440 ( 10.894 -14.463 -6.446) 19.220 13.440 ( 10.894 -14.463 6.446) 19.220 13.641 ( -7.574 -9.519 -6.100) 13.608 13.641 ( -7.574 -9.519 6.100) 13.608 14.534 ( 14.405 6.419 -7.195) 17.334 14.534 ( 14.405 6.419 7.195) 17.334 14.934 ( -14.497 6.390 -7.640) 17.589 14.934 ( -14.497 6.390 7.640) 17.589 15.415 ( 2.283 -4.379 -0.573) 4.972 15.415 ( 2.283 -4.379 0.573) 4.972 15.501 ( -2.906 -5.084 -0.789) 5.908 15.501 ( -2.906 -5.084 0.789) 5.908 ======================= Grid point 130 (43/45) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 3.034 -1.223) 3.271 1.627 ( 0.000 3.034 1.223) 3.271 1.693 ( 0.000 1.636 -1.671) 2.339 1.693 ( 0.000 1.636 1.671) 2.339 1.797 ( 0.000 8.271 -3.690) 9.057 1.797 ( 0.000 8.271 3.690) 9.057 1.869 ( 0.000 -0.709 -0.720) 1.011 1.869 ( 0.000 -0.709 0.720) 1.011 2.097 ( 0.000 -3.273 -1.216) 3.491 2.097 ( 0.000 -3.273 1.216) 3.491 2.185 ( 0.000 2.025 -0.015) 2.025 2.185 ( 0.000 2.025 0.015) 2.025 2.287 ( 0.000 -3.218 -2.652) 4.171 2.287 ( 0.000 -3.218 2.652) 4.171 2.334 ( 0.000 -2.252 -1.494) 2.702 2.334 ( 0.000 -2.252 1.494) 2.702 2.467 ( 0.000 0.222 -0.982) 1.007 2.467 ( 0.000 0.222 0.982) 1.007 2.626 ( 0.000 -1.871 -1.127) 2.184 2.626 ( 0.000 -1.871 1.127) 2.184 2.709 ( 0.000 -0.857 -2.456) 2.601 2.709 ( 0.000 -0.857 2.456) 2.601 3.051 ( 0.000 0.552 -2.401) 2.463 3.051 ( 0.000 0.552 2.401) 2.463 3.180 ( 0.000 6.902 -3.557) 7.765 3.180 ( 0.000 6.902 3.557) 7.765 3.273 ( 0.000 3.565 -1.787) 3.988 3.273 ( 0.000 3.565 1.787) 3.988 3.301 ( 0.000 3.934 -4.242) 5.785 3.301 ( 0.000 3.934 4.242) 5.785 3.554 ( 0.000 0.223 -0.343) 0.409 3.554 ( 0.000 0.223 0.343) 0.409 3.701 ( 0.000 4.001 -2.887) 4.933 3.701 ( 0.000 4.001 2.887) 4.933 3.802 ( 0.000 -2.815 -5.659) 6.320 3.802 ( 0.000 -2.815 5.659) 6.320 3.933 ( 0.000 2.854 -1.354) 3.159 3.933 ( 0.000 2.854 1.354) 3.159 4.023 ( 0.000 2.406 -1.890) 3.060 4.023 ( 0.000 2.406 1.890) 3.060 4.308 ( 0.000 3.475 -1.673) 3.857 4.308 ( 0.000 3.475 1.673) 3.857 4.378 ( 0.000 2.303 -4.490) 5.046 4.378 ( 0.000 2.303 4.490) 5.046 4.411 ( 0.000 -3.640 -10.995) 11.582 4.411 ( 0.000 -3.640 10.995) 11.582 4.469 ( 0.000 4.081 -0.303) 4.092 4.469 ( 0.000 4.081 0.303) 4.092 4.674 ( 0.000 1.656 -0.357) 1.694 4.674 ( 0.000 1.656 0.357) 1.694 4.959 ( 0.000 4.982 -0.421) 5.000 4.959 ( 0.000 4.982 0.421) 5.000 5.159 ( 0.000 -2.549 -0.154) 2.553 5.159 ( 0.000 -2.549 0.154) 2.553 5.373 ( 0.000 -2.088 -1.038) 2.332 5.373 ( 0.000 -2.088 1.038) 2.332 6.153 ( 0.000 -1.618 -0.439) 1.677 6.153 ( 0.000 -1.618 0.439) 1.677 6.226 ( 0.000 -5.368 -1.272) 5.517 6.226 ( 0.000 -5.368 1.272) 5.517 6.666 ( 0.000 3.624 -2.346) 4.317 6.666 ( 0.000 3.624 2.346) 4.317 6.826 ( 0.000 0.686 -0.191) 0.712 6.826 ( 0.000 0.686 0.191) 0.712 7.024 ( 0.000 3.632 -0.631) 3.686 7.024 ( 0.000 3.632 0.631) 3.686 7.106 ( 0.000 1.744 -0.543) 1.827 7.106 ( 0.000 1.744 0.543) 1.827 7.376 ( 0.000 0.576 -1.096) 1.238 7.376 ( 0.000 0.576 1.096) 1.238 7.462 ( 0.000 -4.822 -0.205) 4.826 7.462 ( 0.000 -4.822 0.205) 4.826 7.909 ( 0.000 -0.977 -0.195) 0.996 7.909 ( 0.000 -0.977 0.195) 0.996 8.082 ( 0.000 -2.112 -0.021) 2.112 8.082 ( 0.000 -2.112 0.021) 2.112 8.364 ( 0.000 -1.279 -2.052) 2.418 8.364 ( 0.000 -1.279 2.052) 2.418 8.513 ( 0.000 -3.932 -0.177) 3.936 8.513 ( 0.000 -3.932 0.177) 3.936 8.935 ( 0.000 1.316 -0.084) 1.319 8.935 ( 0.000 1.316 0.084) 1.319 8.993 ( 0.000 -0.163 -0.164) 0.231 8.993 ( 0.000 -0.163 0.164) 0.231 9.075 ( 0.000 -0.980 -0.419) 1.066 9.075 ( 0.000 -0.980 0.419) 1.066 9.242 ( 0.000 -1.731 -0.054) 1.732 9.242 ( 0.000 -1.731 0.054) 1.732 9.548 ( 0.000 -1.368 -0.120) 1.373 9.548 ( 0.000 -1.368 0.120) 1.373 9.655 ( 0.000 0.330 -0.525) 0.620 9.655 ( 0.000 0.330 0.525) 0.620 10.194 ( 0.000 1.198 -0.769) 1.424 10.194 ( 0.000 1.198 0.769) 1.424 10.346 ( 0.000 8.762 -1.116) 8.833 10.346 ( 0.000 8.762 1.116) 8.833 10.419 ( 0.000 2.094 -1.668) 2.677 10.419 ( 0.000 2.094 1.668) 2.677 10.573 ( 0.000 1.934 -3.103) 3.656 10.573 ( 0.000 1.934 3.103) 3.656 10.698 ( 0.000 -0.846 -2.098) 2.262 10.698 ( 0.000 -0.846 2.098) 2.262 10.763 ( 0.000 1.653 -1.259) 2.078 10.763 ( 0.000 1.653 1.259) 2.078 11.094 ( 0.000 2.664 -0.093) 2.665 11.094 ( 0.000 2.664 0.093) 2.665 11.239 ( 0.000 0.471 -0.149) 0.494 11.239 ( 0.000 0.471 0.149) 0.494 11.421 ( 0.000 0.121 -0.161) 0.201 11.421 ( 0.000 0.121 0.161) 0.201 11.498 ( 0.000 -2.362 -0.507) 2.415 11.498 ( 0.000 -2.362 0.507) 2.415 12.044 ( 0.000 -2.187 -4.823) 5.296 12.044 ( 0.000 -2.187 4.823) 5.296 12.262 ( 0.000 1.026 -0.641) 1.210 12.262 ( 0.000 1.026 0.641) 1.210 12.486 ( 0.000 1.109 -1.410) 1.794 12.486 ( 0.000 1.109 1.410) 1.794 12.811 ( 0.000 -11.613 -0.185) 11.614 12.811 ( 0.000 -11.613 0.185) 11.614 13.251 ( 0.000 15.638 -1.640) 15.723 13.251 ( 0.000 15.638 1.640) 15.723 13.647 ( 0.000 -12.585 -1.688) 12.698 13.647 ( 0.000 -12.585 1.688) 12.698 14.066 ( 0.000 -0.512 -4.351) 4.381 14.066 ( 0.000 -0.512 4.351) 4.381 15.254 ( 0.000 -0.792 -0.260) 0.833 15.254 ( 0.000 -0.792 0.260) 0.833 15.422 ( 0.000 2.169 -2.189) 3.082 15.422 ( 0.000 2.169 2.189) 3.082 15.577 ( 0.000 -1.479 -2.101) 2.569 15.577 ( 0.000 -1.479 2.101) 2.569 ======================= Grid point 132 (44/45) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.326 1.470 -0.933) 1.771 1.633 ( -0.326 1.470 0.933) 1.771 1.692 ( -0.953 8.407 -4.754) 9.705 1.692 ( -0.953 8.407 4.754) 9.705 1.804 ( 1.846 1.562 -2.004) 3.141 1.804 ( 1.846 1.562 2.004) 3.141 1.872 ( 0.450 -2.361 -1.301) 2.734 1.872 ( 0.450 -2.361 1.301) 2.734 2.093 ( -0.624 -1.645 -1.306) 2.191 2.093 ( -0.624 -1.645 1.306) 2.191 2.159 ( -1.049 1.331 -1.246) 2.103 2.159 ( -1.049 1.331 1.246) 2.103 2.272 ( -0.863 -1.220 -1.892) 2.411 2.272 ( -0.863 -1.220 1.892) 2.411 2.388 ( 4.340 -1.582 -2.046) 5.052 2.388 ( 4.340 -1.582 2.046) 5.052 2.501 ( -1.849 2.690 -2.844) 4.329 2.501 ( -1.849 2.690 2.844) 4.329 2.573 ( 1.195 -3.901 -1.652) 4.402 2.573 ( 1.195 -3.901 1.652) 4.402 2.752 ( 2.347 -1.817 -0.568) 3.022 2.752 ( 2.347 -1.817 0.568) 3.022 3.022 ( -2.610 1.239 -1.710) 3.357 3.022 ( -2.610 1.239 1.710) 3.357 3.144 ( -3.161 7.503 -1.323) 8.249 3.144 ( -3.161 7.503 1.323) 8.249 3.246 ( -2.240 1.224 -1.344) 2.885 3.246 ( -2.240 1.224 1.344) 2.885 3.324 ( 2.332 2.978 -1.763) 4.173 3.324 ( 2.332 2.978 1.763) 4.173 3.550 ( -1.767 -0.089 -0.917) 1.993 3.550 ( -1.767 -0.089 0.917) 1.993 3.697 ( 0.870 4.315 -2.264) 4.950 3.697 ( 0.870 4.315 2.264) 4.950 3.845 ( 3.032 -0.330 -4.549) 5.477 3.845 ( 3.032 -0.330 4.549) 5.477 3.927 ( -0.184 1.598 -1.035) 1.913 3.927 ( -0.184 1.598 1.035) 1.913 4.036 ( 1.084 2.062 -1.467) 2.753 4.036 ( 1.084 2.062 1.467) 2.753 4.283 ( -2.126 3.276 -2.256) 4.510 4.283 ( -2.126 3.276 2.256) 4.510 4.379 ( -1.167 -0.781 -2.195) 2.605 4.379 ( -1.167 -0.781 2.195) 2.605 4.402 ( 0.548 1.367 -4.876) 5.093 4.402 ( 0.548 1.367 4.876) 5.093 4.477 ( 0.230 3.527 -1.076) 3.694 4.477 ( 0.230 3.527 1.076) 3.694 4.675 ( 0.703 2.105 -0.966) 2.421 4.675 ( 0.703 2.105 0.966) 2.421 4.923 ( -3.392 4.838 -0.407) 5.923 4.923 ( -3.392 4.838 0.407) 5.923 5.190 ( 2.939 -2.990 -0.805) 4.269 5.190 ( 2.939 -2.990 0.805) 4.269 5.368 ( -0.578 -2.305 -1.216) 2.669 5.368 ( -0.578 -2.305 1.216) 2.669 6.153 ( -0.001 -1.655 -0.407) 1.704 6.153 ( -0.001 -1.655 0.407) 1.704 6.216 ( -0.821 -5.296 -0.972) 5.447 6.216 ( -0.821 -5.296 0.972) 5.447 6.671 ( 0.553 3.594 -2.202) 4.251 6.671 ( 0.553 3.594 2.202) 4.251 6.807 ( -1.855 0.692 -0.907) 2.178 6.807 ( -1.855 0.692 0.907) 2.178 7.030 ( 0.609 3.635 -0.744) 3.760 7.030 ( 0.609 3.635 0.744) 3.760 7.098 ( -0.762 2.005 -0.550) 2.214 7.098 ( -0.762 2.005 0.550) 2.214 7.376 ( -0.008 0.735 -0.862) 1.133 7.376 ( -0.008 0.735 0.862) 1.133 7.464 ( 0.106 -5.711 -0.149) 5.714 7.464 ( 0.106 -5.711 0.149) 5.714 7.935 ( 2.110 -0.097 -0.224) 2.124 7.935 ( 2.110 -0.097 0.224) 2.124 8.069 ( -0.976 -2.240 -0.244) 2.455 8.069 ( -0.976 -2.240 0.244) 2.455 8.378 ( 1.228 -0.823 -1.794) 2.324 8.378 ( 1.228 -0.823 1.794) 2.324 8.520 ( 0.293 -4.666 -0.229) 4.681 8.520 ( 0.293 -4.666 0.229) 4.681 8.935 ( 0.172 1.080 -0.305) 1.135 8.935 ( 0.172 1.080 0.305) 1.135 8.986 ( -0.594 0.078 -0.277) 0.660 8.986 ( -0.594 0.078 0.277) 0.660 9.104 ( 2.391 -1.002 -0.357) 2.617 9.104 ( 2.391 -1.002 0.357) 2.617 9.233 ( -0.894 -1.851 -0.409) 2.096 9.233 ( -0.894 -1.851 0.409) 2.096 9.567 ( 1.786 -0.993 -0.253) 2.059 9.567 ( 1.786 -0.993 0.253) 2.059 9.656 ( 0.082 0.233 -0.376) 0.450 9.656 ( 0.082 0.233 0.376) 0.450 10.193 ( -0.050 1.509 -0.834) 1.725 10.193 ( -0.050 1.509 0.834) 1.725 10.311 ( -3.447 5.993 -1.607) 7.098 10.311 ( -3.447 5.993 1.607) 7.098 10.443 ( 3.295 4.066 -1.935) 5.580 10.443 ( 3.295 4.066 1.935) 5.580 10.590 ( 0.966 2.008 -1.400) 2.632 10.590 ( 0.966 2.008 1.400) 2.632 10.689 ( -0.747 -0.693 -1.559) 1.862 10.689 ( -0.747 -0.693 1.559) 1.862 10.753 ( -1.331 1.685 -1.300) 2.511 10.753 ( -1.331 1.685 1.300) 2.511 11.106 ( 1.011 2.474 -0.861) 2.808 11.106 ( 1.011 2.474 0.861) 2.808 11.236 ( -0.433 -0.353 -0.148) 0.578 11.236 ( -0.433 -0.353 0.148) 0.578 11.426 ( 0.294 1.745 -0.229) 1.784 11.426 ( 0.294 1.745 0.229) 1.784 11.499 ( 0.274 -3.163 -0.602) 3.231 11.499 ( 0.274 -3.163 0.602) 3.231 12.047 ( 0.108 -0.358 -3.591) 3.610 12.047 ( 0.108 -0.358 3.591) 3.610 12.234 ( -2.150 -3.804 -1.419) 4.595 12.234 ( -2.150 -3.804 1.419) 4.595 12.528 ( 4.351 5.250 -2.616) 7.303 12.528 ( 4.351 5.250 2.616) 7.303 12.881 ( 5.356 -9.885 -2.277) 11.471 12.881 ( 5.356 -9.885 2.277) 11.471 13.148 ( -7.392 11.587 -2.794) 14.025 13.148 ( -7.392 11.587 2.794) 14.025 13.564 ( -7.262 -13.250 -3.897) 15.604 13.564 ( -7.262 -13.250 3.897) 15.604 14.262 ( 16.409 1.769 -2.690) 16.722 14.262 ( 16.409 1.769 2.690) 16.722 15.259 ( -0.634 0.334 -1.005) 1.235 15.259 ( -0.634 0.334 1.005) 1.235 15.387 ( -4.081 3.935 -2.699) 6.279 15.387 ( -4.081 3.935 2.699) 6.279 15.490 ( -6.393 -4.393 -0.605) 7.780 15.490 ( -6.393 -4.393 0.605) 7.780 ======================= Grid point 134 (45/45) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.055 3.667 -2.189) 4.271 1.622 ( -0.055 3.667 2.189) 4.271 1.647 ( -2.315 8.196 -3.754) 9.307 1.647 ( -2.315 8.196 3.754) 9.307 1.857 ( 2.010 -4.124 -1.372) 4.788 1.857 ( 2.010 -4.124 1.372) 4.788 1.882 ( 0.023 -5.272 -1.317) 5.434 1.882 ( 0.023 -5.272 1.317) 5.434 2.090 ( 0.594 3.975 -0.716) 4.083 2.090 ( 0.594 3.975 0.716) 4.083 2.148 ( -0.444 0.476 -0.208) 0.684 2.148 ( -0.444 0.476 0.208) 0.684 2.267 ( 0.406 2.212 -1.046) 2.480 2.267 ( 0.406 2.212 1.046) 2.480 2.373 ( -3.443 -2.525 -0.511) 4.300 2.373 ( -3.443 -2.525 0.511) 4.300 2.541 ( 4.725 1.184 -1.091) 4.992 2.541 ( 4.725 1.184 1.091) 4.992 2.617 ( 0.566 -2.560 -0.617) 2.693 2.617 ( 0.566 -2.560 0.617) 2.694 2.816 ( 4.373 -0.978 -0.236) 4.487 2.816 ( 4.373 -0.978 0.236) 4.487 2.945 ( -4.774 -0.703 -0.654) 4.870 2.945 ( -4.774 -0.703 0.654) 4.870 3.081 ( -2.117 9.315 -0.974) 9.602 3.081 ( -2.117 9.315 0.974) 9.602 3.206 ( -1.192 -1.782 -0.812) 2.293 3.206 ( -1.192 -1.782 0.812) 2.293 3.383 ( 3.041 2.549 -1.778) 4.348 3.383 ( 3.041 2.549 1.778) 4.348 3.474 ( -4.260 0.528 -0.867) 4.379 3.474 ( -4.260 0.528 0.867) 4.379 3.759 ( 4.358 3.329 -1.175) 5.609 3.759 ( 4.358 3.329 1.175) 5.609 3.843 ( -3.102 3.444 -1.763) 4.959 3.843 ( -3.102 3.444 1.763) 4.959 3.969 ( 3.054 -0.071 -2.245) 3.791 3.969 ( 3.054 -0.071 2.245) 3.791 4.053 ( 0.217 -0.816 -0.912) 1.243 4.053 ( 0.217 -0.817 0.912) 1.243 4.235 ( -1.903 6.313 -2.562) 7.074 4.235 ( -1.903 6.313 2.562) 7.074 4.348 ( -1.094 -3.159 -0.548) 3.387 4.348 ( -1.094 -3.159 0.548) 3.387 4.428 ( 1.512 4.082 -0.773) 4.422 4.428 ( 1.512 4.082 0.773) 4.422 4.462 ( -1.520 3.851 -1.739) 4.491 4.462 ( -1.520 3.852 1.739) 4.491 4.727 ( 4.222 2.694 -1.079) 5.123 4.727 ( 4.222 2.694 1.080) 5.123 4.830 ( -5.264 3.767 -0.394) 6.485 4.830 ( -5.264 3.767 0.394) 6.485 5.265 ( 3.638 -2.486 -1.280) 4.588 5.265 ( 3.638 -2.486 1.280) 4.588 5.342 ( -2.041 -3.180 -1.371) 4.020 5.342 ( -2.041 -3.180 1.371) 4.020 6.154 ( 0.138 -1.622 -0.211) 1.641 6.154 ( 0.138 -1.622 0.211) 1.641 6.198 ( -0.669 -5.258 -0.337) 5.312 6.198 ( -0.669 -5.258 0.337) 5.312 6.692 ( 1.358 3.877 -1.493) 4.371 6.692 ( 1.358 3.877 1.493) 4.371 6.759 ( -2.274 0.460 -1.040) 2.542 6.759 ( -2.274 0.460 1.040) 2.542 7.049 ( 1.142 3.381 -0.672) 3.631 7.049 ( 1.142 3.381 0.672) 3.631 7.077 ( -1.151 2.489 -0.557) 2.798 7.077 ( -1.151 2.489 0.557) 2.798 7.376 ( 0.031 1.016 -0.318) 1.064 7.376 ( 0.031 1.016 0.318) 1.064 7.466 ( 0.080 -7.020 -0.053) 7.021 7.466 ( 0.080 -7.020 0.053) 7.021 7.975 ( 1.313 2.036 -0.130) 2.426 7.975 ( 1.313 2.036 0.130) 2.426 8.052 ( -0.556 -3.095 -0.137) 3.148 8.052 ( -0.556 -3.095 0.137) 3.148 8.407 ( 1.261 0.636 -0.908) 1.679 8.407 ( 1.261 0.636 0.908) 1.679 8.514 ( -0.689 -6.728 -0.294) 6.770 8.514 ( -0.689 -6.728 0.294) 6.770 8.945 ( 0.677 1.132 -0.349) 1.364 8.945 ( 0.677 1.132 0.349) 1.364 8.972 ( -0.647 0.151 -0.394) 0.772 8.972 ( -0.647 0.151 0.394) 0.772 9.156 ( 2.269 -0.871 -0.220) 2.441 9.156 ( 2.269 -0.871 0.220) 2.441 9.207 ( -1.540 -2.275 -0.434) 2.781 9.207 ( -1.540 -2.275 0.434) 2.781 9.612 ( 2.256 -0.192 -0.294) 2.283 9.612 ( 2.256 -0.192 0.294) 2.283 9.651 ( -0.837 -0.140 -0.231) 0.880 9.651 ( -0.837 -0.140 0.231) 0.880 10.199 ( 0.787 2.875 -1.429) 3.305 10.199 ( 0.787 2.875 1.429) 3.305 10.242 ( -2.624 3.444 -1.892) 4.725 10.242 ( -2.624 3.444 1.892) 4.725 10.533 ( 4.591 4.801 -1.505) 6.811 10.533 ( 4.591 4.801 1.505) 6.811 10.595 ( -0.921 3.183 -1.129) 3.501 10.595 ( -0.921 3.183 1.129) 3.501 10.677 ( -0.096 -0.737 -1.271) 1.472 10.677 ( -0.096 -0.737 1.271) 1.472 10.705 ( -2.728 0.512 -0.771) 2.881 10.705 ( -2.728 0.512 0.771) 2.881 11.129 ( 0.935 3.234 -0.548) 3.411 11.129 ( 0.935 3.234 0.548) 3.411 11.220 ( -0.800 -2.619 -0.271) 2.752 11.220 ( -0.800 -2.619 0.271) 2.752 11.430 ( 0.100 3.584 -0.192) 3.591 11.430 ( 0.100 3.584 0.192) 3.591 11.507 ( 0.297 -3.737 -0.456) 3.776 11.507 ( 0.297 -3.737 0.456) 3.776 12.046 ( -0.074 2.799 -1.075) 2.999 12.046 ( -0.074 2.799 1.075) 2.999 12.200 ( -0.843 -9.150 -0.893) 9.232 12.200 ( -0.843 -9.150 0.893) 9.232 12.662 ( 8.182 10.099 -3.592) 13.485 12.662 ( 8.182 10.099 3.592) 13.485 12.858 ( -8.318 8.868 -3.095) 12.546 12.858 ( -8.318 8.868 3.095) 12.546 13.152 ( 8.770 -10.537 -3.486) 14.145 13.152 ( 8.770 -10.537 3.486) 14.145 13.373 ( -10.644 -13.685 -4.545) 17.923 13.373 ( -10.644 -13.685 4.545) 17.923 14.657 ( 20.575 4.171 -2.397) 21.130 14.657 ( 20.575 4.171 2.397) 21.130 15.067 ( -17.312 4.934 -3.031) 18.255 15.067 ( -17.312 4.934 3.031) 18.255 15.350 ( 1.488 -1.656 -0.381) 2.259 15.350 ( 1.488 -1.656 0.381) 2.259 15.404 ( -2.645 -3.926 -0.225) 4.739 15.404 ( -2.645 -3.926 0.225) 4.739 =================== 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 3/23760 10.0 244.795 307.888 265.312 0.000 0.000 0.000 3/23760 20.0 26.066 37.083 40.273 0.000 0.000 0.000 3/23760 30.0 9.072 13.685 14.768 0.000 0.000 0.000 3/23760 40.0 4.989 7.848 8.230 0.000 0.000 0.000 3/23760 50.0 3.368 5.469 5.584 0.000 0.000 0.000 3/23760 60.0 2.531 4.213 4.203 0.000 0.000 0.000 3/23760 70.0 2.027 3.443 3.365 0.000 0.000 0.000 3/23760 80.0 1.693 2.924 2.806 0.000 0.000 0.000 3/23760 90.0 1.456 2.552 2.407 0.000 0.000 0.000 3/23760 100.0 1.281 2.271 2.110 0.000 0.000 0.000 3/23760 110.0 1.146 2.053 1.879 0.000 0.000 0.000 3/23760 120.0 1.039 1.877 1.695 0.000 0.000 0.000 3/23760 130.0 0.952 1.733 1.545 0.000 0.000 0.000 3/23760 140.0 0.880 1.611 1.421 0.000 0.000 0.000 3/23760 150.0 0.820 1.508 1.316 0.000 0.000 0.000 3/23760 160.0 0.768 1.418 1.226 0.000 0.000 0.000 3/23760 170.0 0.723 1.340 1.148 0.000 0.000 0.000 3/23760 180.0 0.684 1.270 1.079 0.000 0.000 0.000 3/23760 190.0 0.649 1.208 1.019 0.000 0.000 0.000 3/23760 200.0 0.618 1.152 0.965 0.000 0.000 0.000 3/23760 210.0 0.590 1.102 0.917 0.000 0.000 0.000 3/23760 220.0 0.564 1.055 0.874 0.000 0.000 0.000 3/23760 230.0 0.541 1.013 0.835 0.000 0.000 0.000 3/23760 240.0 0.520 0.974 0.799 0.000 0.000 0.000 3/23760 250.0 0.500 0.938 0.766 0.000 0.000 0.000 3/23760 260.0 0.482 0.905 0.736 0.000 0.000 0.000 3/23760 270.0 0.465 0.873 0.708 0.000 0.000 0.000 3/23760 280.0 0.450 0.844 0.682 0.000 0.000 0.000 3/23760 290.0 0.435 0.817 0.658 0.000 0.000 0.000 3/23760 300.0 0.421 0.792 0.636 0.000 0.000 0.000 3/23760 310.0 0.409 0.768 0.615 0.000 0.000 0.000 3/23760 320.0 0.397 0.745 0.596 0.000 0.000 0.000 3/23760 330.0 0.385 0.724 0.577 0.000 0.000 0.000 3/23760 340.0 0.374 0.704 0.560 0.000 0.000 0.000 3/23760 350.0 0.364 0.685 0.544 0.000 0.000 0.000 3/23760 360.0 0.355 0.667 0.529 0.000 0.000 0.000 3/23760 370.0 0.346 0.650 0.514 0.000 0.000 0.000 3/23760 380.0 0.337 0.634 0.501 0.000 0.000 0.000 3/23760 390.0 0.329 0.618 0.488 0.000 0.000 0.000 3/23760 400.0 0.321 0.604 0.476 0.000 0.000 0.000 3/23760 410.0 0.313 0.589 0.464 0.000 0.000 0.000 3/23760 420.0 0.306 0.576 0.453 0.000 0.000 0.000 3/23760 430.0 0.299 0.563 0.442 0.000 0.000 0.000 3/23760 440.0 0.293 0.551 0.432 0.000 0.000 0.000 3/23760 450.0 0.287 0.539 0.423 0.000 0.000 0.000 3/23760 460.0 0.281 0.528 0.413 0.000 0.000 0.000 3/23760 470.0 0.275 0.517 0.405 0.000 0.000 0.000 3/23760 480.0 0.269 0.507 0.396 0.000 0.000 0.000 3/23760 490.0 0.264 0.497 0.388 0.000 0.000 0.000 3/23760 500.0 0.259 0.487 0.380 0.000 0.000 0.000 3/23760 510.0 0.254 0.478 0.373 0.000 0.000 0.000 3/23760 520.0 0.249 0.469 0.366 0.000 0.000 0.000 3/23760 530.0 0.245 0.460 0.359 0.000 0.000 0.000 3/23760 540.0 0.240 0.452 0.352 0.000 0.000 0.000 3/23760 550.0 0.236 0.444 0.346 0.000 0.000 0.000 3/23760 560.0 0.232 0.436 0.339 0.000 0.000 0.000 3/23760 570.0 0.228 0.429 0.333 0.000 0.000 0.000 3/23760 580.0 0.224 0.422 0.328 0.000 0.000 0.000 3/23760 590.0 0.221 0.415 0.322 0.000 0.000 0.000 3/23760 600.0 0.217 0.408 0.317 0.000 0.000 0.000 3/23760 610.0 0.213 0.401 0.312 0.000 0.000 0.000 3/23760 620.0 0.210 0.395 0.307 0.000 0.000 0.000 3/23760 630.0 0.207 0.389 0.302 0.000 0.000 0.000 3/23760 640.0 0.204 0.383 0.297 0.000 0.000 0.000 3/23760 650.0 0.201 0.377 0.292 0.000 0.000 0.000 3/23760 660.0 0.198 0.372 0.288 0.000 0.000 0.000 3/23760 670.0 0.195 0.366 0.284 0.000 0.000 0.000 3/23760 680.0 0.192 0.361 0.279 0.000 0.000 0.000 3/23760 690.0 0.189 0.356 0.275 0.000 0.000 0.000 3/23760 700.0 0.187 0.351 0.271 0.000 0.000 0.000 3/23760 710.0 0.184 0.346 0.268 0.000 0.000 0.000 3/23760 720.0 0.182 0.341 0.264 0.000 0.000 0.000 3/23760 730.0 0.179 0.337 0.260 0.000 0.000 0.000 3/23760 740.0 0.177 0.332 0.257 0.000 0.000 0.000 3/23760 750.0 0.174 0.328 0.253 0.000 0.000 0.000 3/23760 760.0 0.172 0.324 0.250 0.000 0.000 0.000 3/23760 770.0 0.170 0.319 0.247 0.000 0.000 0.000 3/23760 780.0 0.168 0.315 0.244 0.000 0.000 0.000 3/23760 790.0 0.166 0.312 0.241 0.000 0.000 0.000 3/23760 800.0 0.164 0.308 0.238 0.000 0.000 0.000 3/23760 810.0 0.162 0.304 0.235 0.000 0.000 0.000 3/23760 820.0 0.160 0.300 0.232 0.000 0.000 0.000 3/23760 830.0 0.158 0.297 0.229 0.000 0.000 0.000 3/23760 840.0 0.156 0.293 0.226 0.000 0.000 0.000 3/23760 850.0 0.154 0.290 0.224 0.000 0.000 0.000 3/23760 860.0 0.152 0.286 0.221 0.000 0.000 0.000 3/23760 870.0 0.151 0.283 0.218 0.000 0.000 0.000 3/23760 880.0 0.149 0.280 0.216 0.000 0.000 0.000 3/23760 890.0 0.147 0.277 0.214 0.000 0.000 0.000 3/23760 900.0 0.146 0.274 0.211 0.000 0.000 0.000 3/23760 910.0 0.144 0.271 0.209 0.000 0.000 0.000 3/23760 920.0 0.143 0.268 0.207 0.000 0.000 0.000 3/23760 930.0 0.141 0.265 0.204 0.000 0.000 0.000 3/23760 940.0 0.140 0.262 0.202 0.000 0.000 0.000 3/23760 950.0 0.138 0.260 0.200 0.000 0.000 0.000 3/23760 960.0 0.137 0.257 0.198 0.000 0.000 0.000 3/23760 970.0 0.135 0.254 0.196 0.000 0.000 0.000 3/23760 980.0 0.134 0.252 0.194 0.000 0.000 0.000 3/23760 990.0 0.133 0.249 0.192 0.000 0.000 0.000 3/23760 1000.0 0.131 0.247 0.190 0.000 0.000 0.000 3/23760 Thermal conductivity related properties were written into "kappa-m594.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:19:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|