----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:32:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] 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 8.515653120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.254530570000004 0.000000000000000 c 0.000000000000000 0.000000000000000 6.369294640000000 Atomic positions (fractional): *1 Rb 0.93875033167301 0.75000000000000 0.17784306528898 85.468 2 Rb 0.06124966832699 0.25000000000000 0.82215693471102 85.468 3 Rb 0.56124966832699 0.25000000000000 0.67784306528898 85.468 4 Rb 0.43875033167301 0.75000000000000 0.32215693471102 85.468 *5 Be 0.27727982906318 0.85673755791416 0.85803145473205 9.012 *6 Be 0.43907676874348 0.05679001981908 0.09613151987039 9.012 7 Be 0.93907676874348 0.05679001981908 0.40386848012961 9.012 8 Be 0.06092323125652 0.94320998018092 0.59613151987039 9.012 9 Be 0.93907676874348 0.44320998018092 0.40386848012961 9.012 10 Be 0.56092323125652 0.94320998018092 0.90386848012961 9.012 11 Be 0.77727982906318 0.85673755791416 0.64196854526795 9.012 12 Be 0.72272017093682 0.35673755791416 0.14196854526795 9.012 13 Be 0.77727982906318 0.64326244208584 0.64196854526795 9.012 14 Be 0.43907676874348 0.44320998018092 0.09613151987039 9.012 15 Be 0.22272017093682 0.35673755791416 0.35803145473205 9.012 16 Be 0.06092323125652 0.55679001981908 0.59613151987039 9.012 17 Be 0.22272017093682 0.14326244208584 0.35803145473205 9.012 18 Be 0.56092323125652 0.55679001981908 0.90386848012961 9.012 19 Be 0.72272017093682 0.14326244208584 0.14196854526795 9.012 20 Be 0.27727982906318 0.64326244208584 0.85803145473205 9.012 *21 B 0.04777393935745 0.75000000000000 0.69263672306066 10.811 22 B 0.95222606064255 0.25000000000000 0.30736327693934 10.811 23 B 0.45222606064255 0.25000000000000 0.19263672306066 10.811 *24 B 0.17949839802455 0.96351264419952 0.20028928334111 10.811 25 B 0.67949839802455 0.96351264419952 0.29971071665889 10.811 26 B 0.17949839802455 0.53648735580048 0.20028928334111 10.811 27 B 0.82050160197545 0.46351264419952 0.79971071665889 10.811 28 B 0.67949839802455 0.53648735580048 0.29971071665889 10.811 29 B 0.54777393935745 0.75000000000000 0.80736327693934 10.811 30 B 0.82050160197545 0.03648735580048 0.79971071665889 10.811 31 B 0.32050160197545 0.03648735580048 0.70028928334111 10.811 32 B 0.32050160197545 0.46351264419952 0.70028928334111 10.811 *33 O 0.02904812264404 0.16079692411299 0.34533565975548 15.999 *34 O 0.05390636799856 0.53734620681269 0.34134288066348 15.999 35 O 0.55390636799857 0.96265379318731 0.15865711933652 15.999 36 O 0.47095187735597 0.83920307588701 0.84533565975548 15.999 *37 O 0.23478471595736 0.55345343912380 0.68996503686582 15.999 *38 O 0.28633194864372 0.11920464206991 0.58633499249258 15.999 39 O 0.73478471595736 0.55345343912380 0.81003496313418 15.999 40 O 0.44609363200143 0.46265379318731 0.84134288066348 15.999 *41 O 0.80075889664374 0.25000000000000 0.23208272204753 15.999 42 O 0.30075889664374 0.25000000000000 0.26791727795247 15.999 43 O 0.71366805135628 0.61920464206991 0.41366500750742 15.999 44 O 0.26521528404264 0.44654656087620 0.18996503686582 15.999 45 O 0.28633194864372 0.38079535793009 0.58633499249258 15.999 46 O 0.94609363200143 0.03734620681269 0.65865711933652 15.999 47 O 0.76521528404264 0.44654656087620 0.31003496313418 15.999 48 O 0.44609363200143 0.03734620681269 0.84134288066348 15.999 49 O 0.02904812264404 0.33920307588701 0.34533565975548 15.999 50 O 0.21366805135628 0.61920464206991 0.08633499249258 15.999 51 O 0.76521528404264 0.05345343912380 0.31003496313418 15.999 52 O 0.94609363200143 0.46265379318731 0.65865711933652 15.999 53 O 0.23478471595736 0.94654656087620 0.68996503686582 15.999 54 O 0.26521528404264 0.05345343912380 0.18996503686582 15.999 55 O 0.21366805135628 0.88079535793009 0.08633499249258 15.999 56 O 0.19924110335626 0.75000000000000 0.76791727795247 15.999 57 O 0.71366805135628 0.88079535793009 0.41366500750742 15.999 58 O 0.78633194864372 0.11920464206991 0.91366500750742 15.999 59 O 0.97095187735597 0.83920307588701 0.65466434024452 15.999 60 O 0.05390636799856 0.96265379318731 0.34134288066348 15.999 61 O 0.52904812264403 0.16079692411299 0.15466434024452 15.999 62 O 0.52904812264403 0.33920307588701 0.15466434024452 15.999 63 O 0.47095187735597 0.66079692411299 0.84533565975548 15.999 64 O 0.78633194864372 0.38079535793009 0.91366500750742 15.999 65 O 0.73478471595736 0.94654656087620 0.81003496313418 15.999 66 O 0.97095187735597 0.66079692411299 0.65466434024452 15.999 67 O 0.55390636799857 0.53734620681269 0.15865711933652 15.999 68 O 0.69924110335626 0.75000000000000 0.73208272204753 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.515653120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.254530570000004 0.000000000000000 c 0.000000000000000 0.000000000000000 6.369294640000000 Atomic positions (fractional): *1 Rb 0.93875033167301 0.75000000000000 0.17784306528898 85.468 > 1 2 Rb 0.06124966832699 0.25000000000000 0.82215693471102 85.468 > 2 3 Rb 0.56124966832699 0.25000000000000 0.67784306528898 85.468 > 3 4 Rb 0.43875033167301 0.75000000000000 0.32215693471102 85.468 > 4 *5 Be 0.27727982906318 0.85673755791416 0.85803145473205 9.012 > 5 *6 Be 0.43907676874348 0.05679001981908 0.09613151987039 9.012 > 6 7 Be 0.93907676874348 0.05679001981908 0.40386848012961 9.012 > 7 8 Be 0.06092323125652 0.94320998018092 0.59613151987039 9.012 > 8 9 Be 0.93907676874348 0.44320998018092 0.40386848012961 9.012 > 9 10 Be 0.56092323125652 0.94320998018092 0.90386848012961 9.012 > 10 11 Be 0.77727982906318 0.85673755791416 0.64196854526795 9.012 > 11 12 Be 0.72272017093682 0.35673755791416 0.14196854526795 9.012 > 12 13 Be 0.77727982906318 0.64326244208584 0.64196854526795 9.012 > 13 14 Be 0.43907676874348 0.44320998018092 0.09613151987039 9.012 > 14 15 Be 0.22272017093682 0.35673755791416 0.35803145473205 9.012 > 15 16 Be 0.06092323125652 0.55679001981908 0.59613151987039 9.012 > 16 17 Be 0.22272017093682 0.14326244208584 0.35803145473205 9.012 > 17 18 Be 0.56092323125652 0.55679001981908 0.90386848012961 9.012 > 18 19 Be 0.72272017093682 0.14326244208584 0.14196854526795 9.012 > 19 20 Be 0.27727982906318 0.64326244208584 0.85803145473205 9.012 > 20 *21 B 0.04777393935745 0.75000000000000 0.69263672306066 10.811 > 21 22 B 0.95222606064255 0.25000000000000 0.30736327693934 10.811 > 22 23 B 0.45222606064255 0.25000000000000 0.19263672306066 10.811 > 23 *24 B 0.17949839802455 0.96351264419952 0.20028928334111 10.811 > 24 25 B 0.67949839802455 0.96351264419952 0.29971071665889 10.811 > 25 26 B 0.17949839802455 0.53648735580048 0.20028928334111 10.811 > 26 27 B 0.82050160197545 0.46351264419952 0.79971071665889 10.811 > 27 28 B 0.67949839802455 0.53648735580048 0.29971071665889 10.811 > 28 29 B 0.54777393935745 0.75000000000000 0.80736327693934 10.811 > 29 30 B 0.82050160197545 0.03648735580048 0.79971071665889 10.811 > 30 31 B 0.32050160197545 0.03648735580048 0.70028928334111 10.811 > 31 32 B 0.32050160197545 0.46351264419952 0.70028928334111 10.811 > 32 *33 O 0.02904812264404 0.16079692411299 0.34533565975548 15.999 > 33 *34 O 0.05390636799856 0.53734620681269 0.34134288066348 15.999 > 34 35 O 0.55390636799857 0.96265379318731 0.15865711933652 15.999 > 35 36 O 0.47095187735597 0.83920307588701 0.84533565975548 15.999 > 36 *37 O 0.23478471595736 0.55345343912380 0.68996503686582 15.999 > 37 *38 O 0.28633194864372 0.11920464206991 0.58633499249258 15.999 > 38 39 O 0.73478471595736 0.55345343912380 0.81003496313418 15.999 > 39 40 O 0.44609363200143 0.46265379318731 0.84134288066348 15.999 > 40 *41 O 0.80075889664374 0.25000000000000 0.23208272204753 15.999 > 41 42 O 0.30075889664374 0.25000000000000 0.26791727795247 15.999 > 42 43 O 0.71366805135628 0.61920464206991 0.41366500750742 15.999 > 43 44 O 0.26521528404264 0.44654656087620 0.18996503686582 15.999 > 44 45 O 0.28633194864372 0.38079535793009 0.58633499249258 15.999 > 45 46 O 0.94609363200143 0.03734620681269 0.65865711933652 15.999 > 46 47 O 0.76521528404264 0.44654656087620 0.31003496313418 15.999 > 47 48 O 0.44609363200143 0.03734620681269 0.84134288066348 15.999 > 48 49 O 0.02904812264404 0.33920307588701 0.34533565975548 15.999 > 49 50 O 0.21366805135628 0.61920464206991 0.08633499249258 15.999 > 50 51 O 0.76521528404264 0.05345343912380 0.31003496313418 15.999 > 51 52 O 0.94609363200143 0.46265379318731 0.65865711933652 15.999 > 52 53 O 0.23478471595736 0.94654656087620 0.68996503686582 15.999 > 53 54 O 0.26521528404264 0.05345343912380 0.18996503686582 15.999 > 54 55 O 0.21366805135628 0.88079535793009 0.08633499249258 15.999 > 55 56 O 0.19924110335626 0.75000000000000 0.76791727795247 15.999 > 56 57 O 0.71366805135628 0.88079535793009 0.41366500750742 15.999 > 57 58 O 0.78633194864372 0.11920464206991 0.91366500750742 15.999 > 58 59 O 0.97095187735597 0.83920307588701 0.65466434024452 15.999 > 59 60 O 0.05390636799856 0.96265379318731 0.34134288066348 15.999 > 60 61 O 0.52904812264403 0.16079692411299 0.15466434024452 15.999 > 61 62 O 0.52904812264403 0.33920307588701 0.15466434024452 15.999 > 62 63 O 0.47095187735597 0.66079692411299 0.84533565975548 15.999 > 63 64 O 0.78633194864372 0.38079535793009 0.91366500750742 15.999 > 64 65 O 0.73478471595736 0.94654656087620 0.81003496313418 15.999 > 65 66 O 0.97095187735597 0.66079692411299 0.65466434024452 15.999 > 66 67 O 0.55390636799857 0.53734620681269 0.15865711933652 15.999 > 67 68 O 0.69924110335626 0.75000000000000 0.73208272204753 15.999 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.515653120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.254530570000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.738589279999999 Atomic positions (fractional): *1 Rb 0.93875033167301 0.75000000000000 0.08892153264449 85.468 > 1 2 Rb 0.93875033167301 0.75000000000000 0.58892153264449 85.468 > 1 3 Rb 0.06124966832699 0.25000000000000 0.41107846735551 85.468 > 2 4 Rb 0.06124966832699 0.25000000000000 0.91107846735551 85.468 > 2 5 Rb 0.56124966832699 0.25000000000000 0.33892153264449 85.468 > 3 6 Rb 0.56124966832699 0.25000000000000 0.83892153264449 85.468 > 3 7 Rb 0.43875033167301 0.75000000000000 0.16107846735551 85.468 > 4 8 Rb 0.43875033167301 0.75000000000000 0.66107846735551 85.468 > 4 *9 Be 0.27727982906318 0.85673755791416 0.42901572736603 9.012 > 5 10 Be 0.27727982906318 0.85673755791416 0.92901572736603 9.012 > 5 *11 Be 0.43907676874348 0.05679001981908 0.04806575993519 9.012 > 6 12 Be 0.43907676874348 0.05679001981908 0.54806575993519 9.012 > 6 13 Be 0.93907676874348 0.05679001981908 0.20193424006481 9.012 > 7 14 Be 0.93907676874348 0.05679001981908 0.70193424006481 9.012 > 7 15 Be 0.06092323125652 0.94320998018092 0.29806575993519 9.012 > 8 16 Be 0.06092323125652 0.94320998018092 0.79806575993519 9.012 > 8 17 Be 0.93907676874348 0.44320998018092 0.20193424006481 9.012 > 9 18 Be 0.93907676874348 0.44320998018092 0.70193424006481 9.012 > 9 19 Be 0.56092323125652 0.94320998018092 0.45193424006481 9.012 > 10 20 Be 0.56092323125652 0.94320998018092 0.95193424006481 9.012 > 10 21 Be 0.77727982906318 0.85673755791416 0.32098427263397 9.012 > 11 22 Be 0.77727982906318 0.85673755791416 0.82098427263397 9.012 > 11 23 Be 0.72272017093682 0.35673755791416 0.07098427263397 9.012 > 12 24 Be 0.72272017093682 0.35673755791416 0.57098427263397 9.012 > 12 25 Be 0.77727982906318 0.64326244208584 0.32098427263397 9.012 > 13 26 Be 0.77727982906318 0.64326244208584 0.82098427263397 9.012 > 13 27 Be 0.43907676874348 0.44320998018092 0.04806575993519 9.012 > 14 28 Be 0.43907676874348 0.44320998018092 0.54806575993519 9.012 > 14 29 Be 0.22272017093682 0.35673755791416 0.17901572736603 9.012 > 15 30 Be 0.22272017093682 0.35673755791416 0.67901572736603 9.012 > 15 31 Be 0.06092323125652 0.55679001981908 0.29806575993519 9.012 > 16 32 Be 0.06092323125652 0.55679001981908 0.79806575993519 9.012 > 16 33 Be 0.22272017093682 0.14326244208584 0.17901572736603 9.012 > 17 34 Be 0.22272017093682 0.14326244208584 0.67901572736603 9.012 > 17 35 Be 0.56092323125652 0.55679001981908 0.45193424006481 9.012 > 18 36 Be 0.56092323125652 0.55679001981908 0.95193424006481 9.012 > 18 37 Be 0.72272017093682 0.14326244208584 0.07098427263397 9.012 > 19 38 Be 0.72272017093682 0.14326244208584 0.57098427263397 9.012 > 19 39 Be 0.27727982906318 0.64326244208584 0.42901572736603 9.012 > 20 40 Be 0.27727982906318 0.64326244208584 0.92901572736603 9.012 > 20 *41 B 0.04777393935745 0.75000000000000 0.34631836153033 10.811 > 21 42 B 0.04777393935745 0.75000000000000 0.84631836153033 10.811 > 21 43 B 0.95222606064255 0.25000000000000 0.15368163846967 10.811 > 22 44 B 0.95222606064255 0.25000000000000 0.65368163846967 10.811 > 22 45 B 0.45222606064255 0.25000000000000 0.09631836153033 10.811 > 23 46 B 0.45222606064255 0.25000000000000 0.59631836153033 10.811 > 23 *47 B 0.17949839802455 0.96351264419952 0.10014464167056 10.811 > 24 48 B 0.17949839802455 0.96351264419952 0.60014464167056 10.811 > 24 49 B 0.67949839802455 0.96351264419952 0.14985535832944 10.811 > 25 50 B 0.67949839802455 0.96351264419952 0.64985535832944 10.811 > 25 51 B 0.17949839802455 0.53648735580048 0.10014464167056 10.811 > 26 52 B 0.17949839802455 0.53648735580048 0.60014464167056 10.811 > 26 53 B 0.82050160197545 0.46351264419952 0.39985535832944 10.811 > 27 54 B 0.82050160197545 0.46351264419952 0.89985535832944 10.811 > 27 55 B 0.67949839802455 0.53648735580048 0.14985535832944 10.811 > 28 56 B 0.67949839802455 0.53648735580048 0.64985535832944 10.811 > 28 57 B 0.54777393935745 0.75000000000000 0.40368163846967 10.811 > 29 58 B 0.54777393935745 0.75000000000000 0.90368163846967 10.811 > 29 59 B 0.82050160197545 0.03648735580048 0.39985535832944 10.811 > 30 60 B 0.82050160197545 0.03648735580048 0.89985535832944 10.811 > 30 61 B 0.32050160197545 0.03648735580048 0.35014464167056 10.811 > 31 62 B 0.32050160197545 0.03648735580048 0.85014464167056 10.811 > 31 63 B 0.32050160197545 0.46351264419952 0.35014464167056 10.811 > 32 64 B 0.32050160197545 0.46351264419952 0.85014464167056 10.811 > 32 *65 O 0.02904812264404 0.16079692411299 0.17266782987774 15.999 > 33 66 O 0.02904812264404 0.16079692411299 0.67266782987774 15.999 > 33 *67 O 0.05390636799856 0.53734620681269 0.17067144033174 15.999 > 34 68 O 0.05390636799856 0.53734620681269 0.67067144033174 15.999 > 34 69 O 0.55390636799857 0.96265379318731 0.07932855966826 15.999 > 35 70 O 0.55390636799857 0.96265379318731 0.57932855966826 15.999 > 35 71 O 0.47095187735597 0.83920307588701 0.42266782987774 15.999 > 36 72 O 0.47095187735597 0.83920307588701 0.92266782987774 15.999 > 36 *73 O 0.23478471595736 0.55345343912380 0.34498251843291 15.999 > 37 74 O 0.23478471595736 0.55345343912380 0.84498251843291 15.999 > 37 *75 O 0.28633194864372 0.11920464206991 0.29316749624629 15.999 > 38 76 O 0.28633194864372 0.11920464206991 0.79316749624629 15.999 > 38 77 O 0.73478471595736 0.55345343912380 0.40501748156709 15.999 > 39 78 O 0.73478471595736 0.55345343912380 0.90501748156709 15.999 > 39 79 O 0.44609363200143 0.46265379318731 0.42067144033174 15.999 > 40 80 O 0.44609363200143 0.46265379318731 0.92067144033174 15.999 > 40 *81 O 0.80075889664374 0.25000000000000 0.11604136102377 15.999 > 41 82 O 0.80075889664374 0.25000000000000 0.61604136102377 15.999 > 41 83 O 0.30075889664374 0.25000000000000 0.13395863897623 15.999 > 42 84 O 0.30075889664374 0.25000000000000 0.63395863897623 15.999 > 42 85 O 0.71366805135628 0.61920464206991 0.20683250375371 15.999 > 43 86 O 0.71366805135628 0.61920464206991 0.70683250375371 15.999 > 43 87 O 0.26521528404264 0.44654656087620 0.09498251843291 15.999 > 44 88 O 0.26521528404264 0.44654656087620 0.59498251843291 15.999 > 44 89 O 0.28633194864372 0.38079535793009 0.29316749624629 15.999 > 45 90 O 0.28633194864372 0.38079535793009 0.79316749624629 15.999 > 45 91 O 0.94609363200143 0.03734620681269 0.32932855966826 15.999 > 46 92 O 0.94609363200143 0.03734620681269 0.82932855966826 15.999 > 46 93 O 0.76521528404264 0.44654656087620 0.15501748156709 15.999 > 47 94 O 0.76521528404264 0.44654656087620 0.65501748156709 15.999 > 47 95 O 0.44609363200143 0.03734620681269 0.42067144033174 15.999 > 48 96 O 0.44609363200143 0.03734620681269 0.92067144033174 15.999 > 48 97 O 0.02904812264404 0.33920307588701 0.17266782987774 15.999 > 49 98 O 0.02904812264404 0.33920307588701 0.67266782987774 15.999 > 49 99 O 0.21366805135628 0.61920464206991 0.04316749624629 15.999 > 50 100 O 0.21366805135628 0.61920464206991 0.54316749624629 15.999 > 50 101 O 0.76521528404264 0.05345343912380 0.15501748156709 15.999 > 51 102 O 0.76521528404264 0.05345343912380 0.65501748156709 15.999 > 51 103 O 0.94609363200143 0.46265379318731 0.32932855966826 15.999 > 52 104 O 0.94609363200143 0.46265379318731 0.82932855966826 15.999 > 52 105 O 0.23478471595736 0.94654656087620 0.34498251843291 15.999 > 53 106 O 0.23478471595736 0.94654656087620 0.84498251843291 15.999 > 53 107 O 0.26521528404264 0.05345343912380 0.09498251843291 15.999 > 54 108 O 0.26521528404264 0.05345343912380 0.59498251843291 15.999 > 54 109 O 0.21366805135628 0.88079535793009 0.04316749624629 15.999 > 55 110 O 0.21366805135628 0.88079535793009 0.54316749624629 15.999 > 55 111 O 0.19924110335626 0.75000000000000 0.38395863897623 15.999 > 56 112 O 0.19924110335626 0.75000000000000 0.88395863897623 15.999 > 56 113 O 0.71366805135628 0.88079535793009 0.20683250375371 15.999 > 57 114 O 0.71366805135628 0.88079535793009 0.70683250375371 15.999 > 57 115 O 0.78633194864372 0.11920464206991 0.45683250375371 15.999 > 58 116 O 0.78633194864372 0.11920464206991 0.95683250375371 15.999 > 58 117 O 0.97095187735597 0.83920307588701 0.32733217012226 15.999 > 59 118 O 0.97095187735597 0.83920307588701 0.82733217012226 15.999 > 59 119 O 0.05390636799856 0.96265379318731 0.17067144033174 15.999 > 60 120 O 0.05390636799856 0.96265379318731 0.67067144033174 15.999 > 60 121 O 0.52904812264403 0.16079692411299 0.07733217012226 15.999 > 61 122 O 0.52904812264403 0.16079692411299 0.57733217012226 15.999 > 61 123 O 0.52904812264403 0.33920307588701 0.07733217012226 15.999 > 62 124 O 0.52904812264403 0.33920307588701 0.57733217012226 15.999 > 62 125 O 0.47095187735597 0.66079692411299 0.42266782987774 15.999 > 63 126 O 0.47095187735597 0.66079692411299 0.92266782987774 15.999 > 63 127 O 0.78633194864372 0.38079535793009 0.45683250375371 15.999 > 64 128 O 0.78633194864372 0.38079535793009 0.95683250375371 15.999 > 64 129 O 0.73478471595736 0.94654656087620 0.40501748156709 15.999 > 65 130 O 0.73478471595736 0.94654656087620 0.90501748156709 15.999 > 65 131 O 0.97095187735597 0.66079692411299 0.32733217012226 15.999 > 66 132 O 0.97095187735597 0.66079692411299 0.82733217012226 15.999 > 66 133 O 0.55390636799857 0.53734620681269 0.07932855966826 15.999 > 67 134 O 0.55390636799857 0.53734620681269 0.57932855966826 15.999 > 67 135 O 0.69924110335626 0.75000000000000 0.36604136102377 15.999 > 68 136 O 0.69924110335626 0.75000000000000 0.86604136102377 15.999 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6045097 0.0000000 0.0000000 0.0000000 2.7045896 0.0000000 0.0000000 0.0000000 2.5060774 -------------------------- Born effective charges -------------------------- 1 Rb 1.2370809 0.0000000 -0.1094393 -0.0000000 1.3558766 -0.0000000 -0.0919663 -0.0000000 1.2099432 2 Rb 1.2370809 0.0000000 -0.1094393 -0.0000000 1.3558766 -0.0000000 -0.0919663 -0.0000000 1.2099432 3 Rb 1.2370809 0.0000000 0.1094393 -0.0000000 1.3558766 -0.0000000 0.0919663 -0.0000000 1.2099432 4 Rb 1.2370809 0.0000000 0.1094393 -0.0000000 1.3558766 -0.0000000 0.0919663 -0.0000000 1.2099432 5 Be 1.8955155 0.1194061 -0.0031605 -0.1846962 1.9485975 0.1628361 -0.0879834 0.1143107 1.8541542 6 Be 1.8996304 -0.1286563 0.0559297 0.1691577 1.7947668 0.1685908 -0.0784948 0.1605393 1.7503956 7 Be 1.8996304 -0.1286563 -0.0559297 0.1691577 1.7947668 -0.1685908 0.0784948 -0.1605393 1.7503956 8 Be 1.8996304 -0.1286563 -0.0559297 0.1691577 1.7947668 -0.1685908 0.0784948 -0.1605393 1.7503956 9 Be 1.8996304 0.1286563 -0.0559297 -0.1691577 1.7947668 0.1685908 0.0784948 0.1605393 1.7503956 10 Be 1.8996304 -0.1286563 0.0559297 0.1691577 1.7947668 0.1685908 -0.0784948 0.1605393 1.7503956 11 Be 1.8955155 0.1194061 0.0031605 -0.1846962 1.9485975 -0.1628361 0.0879834 -0.1143107 1.8541542 12 Be 1.8955155 -0.1194061 -0.0031605 0.1846962 1.9485975 -0.1628361 -0.0879834 -0.1143107 1.8541542 13 Be 1.8955155 -0.1194061 0.0031605 0.1846962 1.9485975 0.1628361 0.0879834 0.1143107 1.8541542 14 Be 1.8996304 0.1286563 0.0559297 -0.1691577 1.7947668 -0.1685908 -0.0784948 -0.1605393 1.7503956 15 Be 1.8955155 -0.1194061 0.0031605 0.1846962 1.9485975 0.1628361 0.0879834 0.1143107 1.8541542 16 Be 1.8996304 0.1286563 -0.0559297 -0.1691577 1.7947668 0.1685908 0.0784948 0.1605393 1.7503956 17 Be 1.8955155 0.1194061 0.0031605 -0.1846962 1.9485975 -0.1628361 0.0879834 -0.1143107 1.8541542 18 Be 1.8996304 0.1286563 0.0559297 -0.1691577 1.7947668 -0.1685908 -0.0784948 -0.1605393 1.7503956 19 Be 1.8955155 0.1194061 -0.0031605 -0.1846962 1.9485975 0.1628361 -0.0879834 0.1143107 1.8541542 20 Be 1.8955155 -0.1194061 -0.0031605 0.1846962 1.9485975 -0.1628361 -0.0879834 -0.1143107 1.8541542 21 B 2.3963437 0.0000000 0.7023963 -0.0000000 2.7781057 -0.0000000 0.8142369 -0.0000000 0.9027430 22 B 2.3963437 0.0000000 0.7023963 -0.0000000 2.7781057 -0.0000000 0.8142369 -0.0000000 0.9027430 23 B 2.3963437 0.0000000 -0.7023963 -0.0000000 2.7781057 -0.0000000 -0.8142369 -0.0000000 0.9027430 24 B 1.8900012 0.3096233 -0.9528770 0.2756966 2.4235094 0.6488014 -0.9988534 0.6997946 1.7935983 25 B 1.8900012 0.3096233 0.9528770 0.2756966 2.4235094 -0.6488014 0.9988534 -0.6997946 1.7935983 26 B 1.8900012 -0.3096233 -0.9528770 -0.2756966 2.4235094 -0.6488014 -0.9988534 -0.6997946 1.7935983 27 B 1.8900012 -0.3096233 -0.9528770 -0.2756966 2.4235094 -0.6488014 -0.9988534 -0.6997946 1.7935983 28 B 1.8900012 -0.3096233 0.9528770 -0.2756966 2.4235094 0.6488014 0.9988534 0.6997946 1.7935983 29 B 2.3963437 0.0000000 -0.7023963 -0.0000000 2.7781057 -0.0000000 -0.8142369 -0.0000000 0.9027430 30 B 1.8900012 0.3096233 -0.9528770 0.2756966 2.4235094 0.6488014 -0.9988534 0.6997946 1.7935983 31 B 1.8900012 0.3096233 0.9528770 0.2756966 2.4235094 -0.6488014 0.9988534 -0.6997946 1.7935983 32 B 1.8900012 -0.3096233 0.9528770 -0.2756966 2.4235094 0.6488014 0.9988534 0.6997946 1.7935983 33 O -1.7704091 0.2934578 -0.1650452 0.3373935 -2.2301096 0.2607703 -0.1950812 0.2980817 -0.9459691 34 O -1.7826667 -0.2142741 0.7522283 -0.1179360 -1.3125366 0.0957292 0.6471845 0.1041315 -1.9225259 35 O -1.7826667 0.2142741 -0.7522283 0.1179360 -1.3125366 0.0957292 -0.6471845 0.1041315 -1.9225259 36 O -1.7704091 0.2934578 0.1650452 0.3373935 -2.2301096 -0.2607703 0.1950812 -0.2980817 -0.9459691 37 O -1.6389246 0.4473590 -0.3691331 0.4252816 -1.9597662 -0.2160229 -0.3644256 -0.2541185 -1.2390790 38 O -1.2572029 0.1502037 -0.3419339 0.1925159 -1.8643007 0.6064406 -0.4480568 0.6524959 -1.8178308 39 O -1.6389246 0.4473590 0.3691331 0.4252816 -1.9597662 0.2160229 0.3644256 0.2541185 -1.2390790 40 O -1.7826667 -0.2142741 -0.7522283 -0.1179360 -1.3125366 -0.0957292 -0.6471845 -0.1041315 -1.9225259 41 O -2.1053120 0.0000000 -0.4790953 -0.0000000 -1.7343036 -0.0000000 -0.5550038 -0.0000000 -1.0581727 42 O -2.1053120 0.0000000 0.4790953 -0.0000000 -1.7343036 -0.0000000 0.5550038 -0.0000000 -1.0581727 43 O -1.2572029 -0.1502037 -0.3419339 -0.1925159 -1.8643007 -0.6064406 -0.4480568 -0.6524959 -1.8178308 44 O -1.6389246 0.4473590 0.3691331 0.4252816 -1.9597662 0.2160229 0.3644256 0.2541185 -1.2390790 45 O -1.2572029 -0.1502037 -0.3419339 -0.1925159 -1.8643007 -0.6064406 -0.4480568 -0.6524959 -1.8178308 46 O -1.7826667 0.2142741 0.7522283 0.1179360 -1.3125366 -0.0957292 0.6471845 -0.1041315 -1.9225259 47 O -1.6389246 0.4473590 -0.3691331 0.4252816 -1.9597662 -0.2160229 -0.3644256 -0.2541185 -1.2390790 48 O -1.7826667 0.2142741 -0.7522283 0.1179360 -1.3125366 0.0957292 -0.6471845 0.1041315 -1.9225259 49 O -1.7704091 -0.2934578 -0.1650452 -0.3373935 -2.2301096 -0.2607703 -0.1950812 -0.2980817 -0.9459691 50 O -1.2572029 -0.1502037 0.3419339 -0.1925159 -1.8643007 0.6064406 0.4480568 0.6524959 -1.8178308 51 O -1.6389246 -0.4473590 -0.3691331 -0.4252816 -1.9597662 0.2160229 -0.3644256 0.2541185 -1.2390790 52 O -1.7826667 -0.2142741 0.7522283 -0.1179360 -1.3125366 0.0957292 0.6471845 0.1041315 -1.9225259 53 O -1.6389246 -0.4473590 -0.3691331 -0.4252816 -1.9597662 0.2160229 -0.3644256 0.2541185 -1.2390790 54 O -1.6389246 -0.4473590 0.3691331 -0.4252816 -1.9597662 -0.2160229 0.3644256 -0.2541185 -1.2390790 55 O -1.2572029 0.1502037 0.3419339 0.1925159 -1.8643007 -0.6064406 0.4480568 -0.6524959 -1.8178308 56 O -2.1053120 0.0000000 -0.4790953 -0.0000000 -1.7343036 -0.0000000 -0.5550038 -0.0000000 -1.0581727 57 O -1.2572029 0.1502037 -0.3419339 0.1925159 -1.8643007 0.6064406 -0.4480568 0.6524959 -1.8178308 58 O -1.2572029 0.1502037 0.3419339 0.1925159 -1.8643007 -0.6064406 0.4480568 -0.6524959 -1.8178308 59 O -1.7704091 0.2934578 -0.1650452 0.3373935 -2.2301096 0.2607703 -0.1950812 0.2980817 -0.9459691 60 O -1.7826667 0.2142741 0.7522283 0.1179360 -1.3125366 -0.0957292 0.6471845 -0.1041315 -1.9225259 61 O -1.7704091 0.2934578 0.1650452 0.3373935 -2.2301096 -0.2607703 0.1950812 -0.2980817 -0.9459691 62 O -1.7704091 -0.2934578 0.1650452 -0.3373935 -2.2301096 0.2607703 0.1950812 0.2980817 -0.9459691 63 O -1.7704091 -0.2934578 0.1650452 -0.3373935 -2.2301096 0.2607703 0.1950812 0.2980817 -0.9459691 64 O -1.2572029 -0.1502037 0.3419339 -0.1925159 -1.8643007 0.6064406 0.4480568 0.6524959 -1.8178308 65 O -1.6389246 -0.4473590 0.3691331 -0.4252816 -1.9597662 -0.2160229 0.3644256 -0.2541185 -1.2390790 66 O -1.7704091 -0.2934578 -0.1650452 -0.3373935 -2.2301096 -0.2607703 -0.1950812 -0.2980817 -0.9459691 67 O -1.7826667 -0.2142741 -0.7522283 -0.1179360 -1.3125366 -0.0957292 -0.6471845 -0.1041315 -1.9225259 68 O -2.1053120 0.0000000 0.4790953 -0.0000000 -1.7343036 -0.0000000 0.5550038 -0.0000000 -1.0581727 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5373 Number of blocks in projector: 5373 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: 1192 Use submatrix version of eigh solver. (1) Block: 500 / 1192 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1192 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1192 / 1192 (1) 180 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1120 Use submatrix version of eigh solver. (1) Block: 500 / 1120 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1120 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1120 / 1120 (1) 110 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1120 Use submatrix version of eigh solver. (1) Block: 500 / 1120 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1120 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1120 / 1120 (1) 110 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 647 Use submatrix version of eigh solver. (1) Block: 500 / 647 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 647 / 647 (1) 139 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 647 Use submatrix version of eigh solver. (1) Block: 500 / 647 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 647 / 647 (1) 139 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 647 Use submatrix version of eigh solver. (1) Block: 500 / 647 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 647 / 647 (1) 139 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5373, 5295), data: False |-- (647, 637), data: False |-- (647, 8), data: (647, 18) @ (18, 8) |-- (147, 139), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (647, 637), data: False |-- (647, 8), data: (647, 18) @ (18, 8) |-- (147, 139), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (647, 637), data: False |-- (647, 8), data: (647, 18) @ (18, 8) |-- (147, 139), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1120, 1106), data: False |-- (1120, 24), data: (1120, 38) @ (38, 24) |-- (120, 110), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 236), data: True |-- (250, 237), data: True |-- (1120, 1106), data: False |-- (1120, 24), data: (1120, 38) @ (38, 24) |-- (120, 110), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1192, 1172), data: False |-- (1192, 30), data: (1192, 50) @ (50, 30) |-- (192, 180), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 2.033 Solver_block: 200 / 1040 - Time: 1.814 Solver_block: 300 / 1040 - Time: 1.732 Solver_block: 400 / 1040 - Time: 1.782 Solver_block: 500 / 1040 - Time: 1.853 Solver_block: 600 / 1040 - Time: 1.787 Solver_block: 700 / 1040 - Time: 1.794 Solver_block: 800 / 1040 - Time: 1.701 Solver_block: 900 / 1040 - Time: 1.784 Solver_block: 1000 / 1040 - Time: 1.787 Solver_block: 1040 / 1040 - Time: 0.864 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.649 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5373 Number of blocks in projector: 5373 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: 1192 Use submatrix version of eigh solver. (1) Block: 500 / 1192 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1192 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1192 / 1192 (1) 180 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1120 Use submatrix version of eigh solver. (1) Block: 500 / 1120 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1120 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1120 / 1120 (1) 110 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1120 Use submatrix version of eigh solver. (1) Block: 500 / 1120 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1120 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1120 / 1120 (1) 110 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 647 Use submatrix version of eigh solver. (1) Block: 500 / 647 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 647 / 647 (1) 139 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 647 Use submatrix version of eigh solver. (1) Block: 500 / 647 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 647 / 647 (1) 139 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 647 Use submatrix version of eigh solver. (1) Block: 500 / 647 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 647 / 647 (1) 139 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5373, 5295), data: False |-- (647, 637), data: False |-- (647, 8), data: (647, 18) @ (18, 8) |-- (147, 139), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (647, 637), data: False |-- (647, 8), data: (647, 18) @ (18, 8) |-- (147, 139), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (647, 637), data: False |-- (647, 8), data: (647, 18) @ (18, 8) |-- (147, 139), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1120, 1106), data: False |-- (1120, 24), data: (1120, 38) @ (38, 24) |-- (120, 110), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 236), data: True |-- (250, 237), data: True |-- (1120, 1106), data: False |-- (1120, 24), data: (1120, 38) @ (38, 24) |-- (120, 110), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1192, 1172), data: False |-- (1192, 30), data: (1192, 50) @ (50, 30) |-- (192, 180), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), 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 2026-01-08 12:34:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:34:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.515653120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.254530570000004 0.000000000000000 c 0.000000000000000 0.000000000000000 6.369294640000000 Atomic positions (fractional): 1 Rb 0.93875033167301 0.75000000000000 0.17784306528898 85.468 2 Rb 0.06124966832699 0.25000000000000 0.82215693471102 85.468 3 Rb 0.56124966832699 0.25000000000000 0.67784306528898 85.468 4 Rb 0.43875033167301 0.75000000000000 0.32215693471102 85.468 5 Be 0.27727982906318 0.85673755791416 0.85803145473205 9.012 6 Be 0.43907676874348 0.05679001981908 0.09613151987039 9.012 7 Be 0.93907676874348 0.05679001981908 0.40386848012961 9.012 8 Be 0.06092323125652 0.94320998018092 0.59613151987039 9.012 9 Be 0.93907676874348 0.44320998018092 0.40386848012961 9.012 10 Be 0.56092323125652 0.94320998018092 0.90386848012961 9.012 11 Be 0.77727982906318 0.85673755791416 0.64196854526795 9.012 12 Be 0.72272017093682 0.35673755791416 0.14196854526795 9.012 13 Be 0.77727982906318 0.64326244208584 0.64196854526795 9.012 14 Be 0.43907676874348 0.44320998018092 0.09613151987039 9.012 15 Be 0.22272017093682 0.35673755791416 0.35803145473205 9.012 16 Be 0.06092323125652 0.55679001981908 0.59613151987039 9.012 17 Be 0.22272017093682 0.14326244208584 0.35803145473205 9.012 18 Be 0.56092323125652 0.55679001981908 0.90386848012961 9.012 19 Be 0.72272017093682 0.14326244208584 0.14196854526795 9.012 20 Be 0.27727982906318 0.64326244208584 0.85803145473205 9.012 21 B 0.04777393935745 0.75000000000000 0.69263672306066 10.811 22 B 0.95222606064255 0.25000000000000 0.30736327693934 10.811 23 B 0.45222606064255 0.25000000000000 0.19263672306066 10.811 24 B 0.17949839802455 0.96351264419952 0.20028928334111 10.811 25 B 0.67949839802455 0.96351264419952 0.29971071665889 10.811 26 B 0.17949839802455 0.53648735580048 0.20028928334111 10.811 27 B 0.82050160197545 0.46351264419952 0.79971071665889 10.811 28 B 0.67949839802455 0.53648735580048 0.29971071665889 10.811 29 B 0.54777393935745 0.75000000000000 0.80736327693934 10.811 30 B 0.82050160197545 0.03648735580048 0.79971071665889 10.811 31 B 0.32050160197545 0.03648735580048 0.70028928334111 10.811 32 B 0.32050160197545 0.46351264419952 0.70028928334111 10.811 33 O 0.02904812264404 0.16079692411299 0.34533565975548 15.999 34 O 0.05390636799856 0.53734620681269 0.34134288066348 15.999 35 O 0.55390636799857 0.96265379318731 0.15865711933652 15.999 36 O 0.47095187735597 0.83920307588701 0.84533565975548 15.999 37 O 0.23478471595736 0.55345343912380 0.68996503686582 15.999 38 O 0.28633194864372 0.11920464206991 0.58633499249258 15.999 39 O 0.73478471595736 0.55345343912380 0.81003496313418 15.999 40 O 0.44609363200143 0.46265379318731 0.84134288066348 15.999 41 O 0.80075889664374 0.25000000000000 0.23208272204753 15.999 42 O 0.30075889664374 0.25000000000000 0.26791727795247 15.999 43 O 0.71366805135628 0.61920464206991 0.41366500750742 15.999 44 O 0.26521528404264 0.44654656087620 0.18996503686582 15.999 45 O 0.28633194864372 0.38079535793009 0.58633499249258 15.999 46 O 0.94609363200143 0.03734620681269 0.65865711933652 15.999 47 O 0.76521528404264 0.44654656087620 0.31003496313418 15.999 48 O 0.44609363200143 0.03734620681269 0.84134288066348 15.999 49 O 0.02904812264404 0.33920307588701 0.34533565975548 15.999 50 O 0.21366805135628 0.61920464206991 0.08633499249258 15.999 51 O 0.76521528404264 0.05345343912380 0.31003496313418 15.999 52 O 0.94609363200143 0.46265379318731 0.65865711933652 15.999 53 O 0.23478471595736 0.94654656087620 0.68996503686582 15.999 54 O 0.26521528404264 0.05345343912380 0.18996503686582 15.999 55 O 0.21366805135628 0.88079535793009 0.08633499249258 15.999 56 O 0.19924110335626 0.75000000000000 0.76791727795247 15.999 57 O 0.71366805135628 0.88079535793009 0.41366500750742 15.999 58 O 0.78633194864372 0.11920464206991 0.91366500750742 15.999 59 O 0.97095187735597 0.83920307588701 0.65466434024452 15.999 60 O 0.05390636799856 0.96265379318731 0.34134288066348 15.999 61 O 0.52904812264403 0.16079692411299 0.15466434024452 15.999 62 O 0.52904812264403 0.33920307588701 0.15466434024452 15.999 63 O 0.47095187735597 0.66079692411299 0.84533565975548 15.999 64 O 0.78633194864372 0.38079535793009 0.91366500750742 15.999 65 O 0.73478471595736 0.94654656087620 0.81003496313418 15.999 66 O 0.97095187735597 0.66079692411299 0.65466434024452 15.999 67 O 0.55390636799857 0.53734620681269 0.15865711933652 15.999 68 O 0.69924110335626 0.75000000000000 0.73208272204753 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.515653120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.254530570000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.738589279999999 Atomic positions (fractional): 1 Rb 0.93875033167301 0.75000000000000 0.08892153264449 85.468 > 1 2 Rb 0.93875033167301 0.75000000000000 0.58892153264449 85.468 > 1 3 Rb 0.06124966832699 0.25000000000000 0.41107846735551 85.468 > 3 4 Rb 0.06124966832699 0.25000000000000 0.91107846735551 85.468 > 3 5 Rb 0.56124966832699 0.25000000000000 0.33892153264449 85.468 > 5 6 Rb 0.56124966832699 0.25000000000000 0.83892153264449 85.468 > 5 7 Rb 0.43875033167301 0.75000000000000 0.16107846735551 85.468 > 7 8 Rb 0.43875033167301 0.75000000000000 0.66107846735551 85.468 > 7 9 Be 0.27727982906318 0.85673755791416 0.42901572736603 9.012 > 9 10 Be 0.27727982906318 0.85673755791416 0.92901572736603 9.012 > 9 11 Be 0.43907676874348 0.05679001981908 0.04806575993519 9.012 > 11 12 Be 0.43907676874348 0.05679001981908 0.54806575993519 9.012 > 11 13 Be 0.93907676874348 0.05679001981908 0.20193424006481 9.012 > 13 14 Be 0.93907676874348 0.05679001981908 0.70193424006481 9.012 > 13 15 Be 0.06092323125652 0.94320998018092 0.29806575993519 9.012 > 15 16 Be 0.06092323125652 0.94320998018092 0.79806575993519 9.012 > 15 17 Be 0.93907676874348 0.44320998018092 0.20193424006481 9.012 > 17 18 Be 0.93907676874348 0.44320998018092 0.70193424006481 9.012 > 17 19 Be 0.56092323125652 0.94320998018092 0.45193424006481 9.012 > 19 20 Be 0.56092323125652 0.94320998018092 0.95193424006481 9.012 > 19 21 Be 0.77727982906318 0.85673755791416 0.32098427263397 9.012 > 21 22 Be 0.77727982906318 0.85673755791416 0.82098427263397 9.012 > 21 23 Be 0.72272017093682 0.35673755791416 0.07098427263397 9.012 > 23 24 Be 0.72272017093682 0.35673755791416 0.57098427263397 9.012 > 23 25 Be 0.77727982906318 0.64326244208584 0.32098427263397 9.012 > 25 26 Be 0.77727982906318 0.64326244208584 0.82098427263397 9.012 > 25 27 Be 0.43907676874348 0.44320998018092 0.04806575993519 9.012 > 27 28 Be 0.43907676874348 0.44320998018092 0.54806575993519 9.012 > 27 29 Be 0.22272017093682 0.35673755791416 0.17901572736603 9.012 > 29 30 Be 0.22272017093682 0.35673755791416 0.67901572736603 9.012 > 29 31 Be 0.06092323125652 0.55679001981908 0.29806575993519 9.012 > 31 32 Be 0.06092323125652 0.55679001981908 0.79806575993519 9.012 > 31 33 Be 0.22272017093682 0.14326244208584 0.17901572736603 9.012 > 33 34 Be 0.22272017093682 0.14326244208584 0.67901572736603 9.012 > 33 35 Be 0.56092323125652 0.55679001981908 0.45193424006481 9.012 > 35 36 Be 0.56092323125652 0.55679001981908 0.95193424006481 9.012 > 35 37 Be 0.72272017093682 0.14326244208584 0.07098427263397 9.012 > 37 38 Be 0.72272017093682 0.14326244208584 0.57098427263397 9.012 > 37 39 Be 0.27727982906318 0.64326244208584 0.42901572736603 9.012 > 39 40 Be 0.27727982906318 0.64326244208584 0.92901572736603 9.012 > 39 41 B 0.04777393935745 0.75000000000000 0.34631836153033 10.811 > 41 42 B 0.04777393935745 0.75000000000000 0.84631836153033 10.811 > 41 43 B 0.95222606064255 0.25000000000000 0.15368163846967 10.811 > 43 44 B 0.95222606064255 0.25000000000000 0.65368163846967 10.811 > 43 45 B 0.45222606064255 0.25000000000000 0.09631836153033 10.811 > 45 46 B 0.45222606064255 0.25000000000000 0.59631836153033 10.811 > 45 47 B 0.17949839802455 0.96351264419952 0.10014464167056 10.811 > 47 48 B 0.17949839802455 0.96351264419952 0.60014464167056 10.811 > 47 49 B 0.67949839802455 0.96351264419952 0.14985535832944 10.811 > 49 50 B 0.67949839802455 0.96351264419952 0.64985535832944 10.811 > 49 51 B 0.17949839802455 0.53648735580048 0.10014464167056 10.811 > 51 52 B 0.17949839802455 0.53648735580048 0.60014464167056 10.811 > 51 53 B 0.82050160197545 0.46351264419952 0.39985535832944 10.811 > 53 54 B 0.82050160197545 0.46351264419952 0.89985535832944 10.811 > 53 55 B 0.67949839802455 0.53648735580048 0.14985535832944 10.811 > 55 56 B 0.67949839802455 0.53648735580048 0.64985535832944 10.811 > 55 57 B 0.54777393935745 0.75000000000000 0.40368163846967 10.811 > 57 58 B 0.54777393935745 0.75000000000000 0.90368163846967 10.811 > 57 59 B 0.82050160197545 0.03648735580048 0.39985535832944 10.811 > 59 60 B 0.82050160197545 0.03648735580048 0.89985535832944 10.811 > 59 61 B 0.32050160197545 0.03648735580048 0.35014464167056 10.811 > 61 62 B 0.32050160197545 0.03648735580048 0.85014464167056 10.811 > 61 63 B 0.32050160197545 0.46351264419952 0.35014464167056 10.811 > 63 64 B 0.32050160197545 0.46351264419952 0.85014464167056 10.811 > 63 65 O 0.02904812264404 0.16079692411299 0.17266782987774 15.999 > 65 66 O 0.02904812264404 0.16079692411299 0.67266782987774 15.999 > 65 67 O 0.05390636799856 0.53734620681269 0.17067144033174 15.999 > 67 68 O 0.05390636799856 0.53734620681269 0.67067144033174 15.999 > 67 69 O 0.55390636799857 0.96265379318731 0.07932855966826 15.999 > 69 70 O 0.55390636799857 0.96265379318731 0.57932855966826 15.999 > 69 71 O 0.47095187735597 0.83920307588701 0.42266782987774 15.999 > 71 72 O 0.47095187735597 0.83920307588701 0.92266782987774 15.999 > 71 73 O 0.23478471595736 0.55345343912380 0.34498251843291 15.999 > 73 74 O 0.23478471595736 0.55345343912380 0.84498251843291 15.999 > 73 75 O 0.28633194864372 0.11920464206991 0.29316749624629 15.999 > 75 76 O 0.28633194864372 0.11920464206991 0.79316749624629 15.999 > 75 77 O 0.73478471595736 0.55345343912380 0.40501748156709 15.999 > 77 78 O 0.73478471595736 0.55345343912380 0.90501748156709 15.999 > 77 79 O 0.44609363200143 0.46265379318731 0.42067144033174 15.999 > 79 80 O 0.44609363200143 0.46265379318731 0.92067144033174 15.999 > 79 81 O 0.80075889664374 0.25000000000000 0.11604136102377 15.999 > 81 82 O 0.80075889664374 0.25000000000000 0.61604136102377 15.999 > 81 83 O 0.30075889664374 0.25000000000000 0.13395863897623 15.999 > 83 84 O 0.30075889664374 0.25000000000000 0.63395863897623 15.999 > 83 85 O 0.71366805135628 0.61920464206991 0.20683250375371 15.999 > 85 86 O 0.71366805135628 0.61920464206991 0.70683250375371 15.999 > 85 87 O 0.26521528404264 0.44654656087620 0.09498251843291 15.999 > 87 88 O 0.26521528404264 0.44654656087620 0.59498251843291 15.999 > 87 89 O 0.28633194864372 0.38079535793009 0.29316749624629 15.999 > 89 90 O 0.28633194864372 0.38079535793009 0.79316749624629 15.999 > 89 91 O 0.94609363200143 0.03734620681269 0.32932855966826 15.999 > 91 92 O 0.94609363200143 0.03734620681269 0.82932855966826 15.999 > 91 93 O 0.76521528404264 0.44654656087620 0.15501748156709 15.999 > 93 94 O 0.76521528404264 0.44654656087620 0.65501748156709 15.999 > 93 95 O 0.44609363200143 0.03734620681269 0.42067144033174 15.999 > 95 96 O 0.44609363200143 0.03734620681269 0.92067144033174 15.999 > 95 97 O 0.02904812264404 0.33920307588701 0.17266782987774 15.999 > 97 98 O 0.02904812264404 0.33920307588701 0.67266782987774 15.999 > 97 99 O 0.21366805135628 0.61920464206991 0.04316749624629 15.999 > 99 100 O 0.21366805135628 0.61920464206991 0.54316749624629 15.999 > 99 101 O 0.76521528404264 0.05345343912380 0.15501748156709 15.999 > 101 102 O 0.76521528404264 0.05345343912380 0.65501748156709 15.999 > 101 103 O 0.94609363200143 0.46265379318731 0.32932855966826 15.999 > 103 104 O 0.94609363200143 0.46265379318731 0.82932855966826 15.999 > 103 105 O 0.23478471595736 0.94654656087620 0.34498251843291 15.999 > 105 106 O 0.23478471595736 0.94654656087620 0.84498251843291 15.999 > 105 107 O 0.26521528404264 0.05345343912380 0.09498251843291 15.999 > 107 108 O 0.26521528404264 0.05345343912380 0.59498251843291 15.999 > 107 109 O 0.21366805135628 0.88079535793009 0.04316749624629 15.999 > 109 110 O 0.21366805135628 0.88079535793009 0.54316749624629 15.999 > 109 111 O 0.19924110335626 0.75000000000000 0.38395863897623 15.999 > 111 112 O 0.19924110335626 0.75000000000000 0.88395863897623 15.999 > 111 113 O 0.71366805135628 0.88079535793009 0.20683250375371 15.999 > 113 114 O 0.71366805135628 0.88079535793009 0.70683250375371 15.999 > 113 115 O 0.78633194864372 0.11920464206991 0.45683250375371 15.999 > 115 116 O 0.78633194864372 0.11920464206991 0.95683250375371 15.999 > 115 117 O 0.97095187735597 0.83920307588701 0.32733217012226 15.999 > 117 118 O 0.97095187735597 0.83920307588701 0.82733217012226 15.999 > 117 119 O 0.05390636799856 0.96265379318731 0.17067144033174 15.999 > 119 120 O 0.05390636799856 0.96265379318731 0.67067144033174 15.999 > 119 121 O 0.52904812264403 0.16079692411299 0.07733217012226 15.999 > 121 122 O 0.52904812264403 0.16079692411299 0.57733217012226 15.999 > 121 123 O 0.52904812264403 0.33920307588701 0.07733217012226 15.999 > 123 124 O 0.52904812264403 0.33920307588701 0.57733217012226 15.999 > 123 125 O 0.47095187735597 0.66079692411299 0.42266782987774 15.999 > 125 126 O 0.47095187735597 0.66079692411299 0.92266782987774 15.999 > 125 127 O 0.78633194864372 0.38079535793009 0.45683250375371 15.999 > 127 128 O 0.78633194864372 0.38079535793009 0.95683250375371 15.999 > 127 129 O 0.73478471595736 0.94654656087620 0.40501748156709 15.999 > 129 130 O 0.73478471595736 0.94654656087620 0.90501748156709 15.999 > 129 131 O 0.97095187735597 0.66079692411299 0.32733217012226 15.999 > 131 132 O 0.97095187735597 0.66079692411299 0.82733217012226 15.999 > 131 133 O 0.55390636799857 0.53734620681269 0.07932855966826 15.999 > 133 134 O 0.55390636799857 0.53734620681269 0.57932855966826 15.999 > 133 135 O 0.69924110335626 0.75000000000000 0.36604136102377 15.999 > 135 136 O 0.69924110335626 0.75000000000000 0.86604136102377 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6045097 0.0000000 0.0000000 0.0000000 2.7045896 0.0000000 0.0000000 0.0000000 2.5060774 -------------------------- Born effective charges -------------------------- 1 Rb 1.2370809 0.0000000 -0.1094393 -0.0000000 1.3558766 -0.0000000 -0.0919663 -0.0000000 1.2099432 2 Rb 1.2370809 0.0000000 -0.1094393 -0.0000000 1.3558766 -0.0000000 -0.0919663 -0.0000000 1.2099432 3 Rb 1.2370809 0.0000000 0.1094393 -0.0000000 1.3558766 -0.0000000 0.0919663 -0.0000000 1.2099432 4 Rb 1.2370809 0.0000000 0.1094393 -0.0000000 1.3558766 -0.0000000 0.0919663 -0.0000000 1.2099432 5 Be 1.8955155 0.1194061 -0.0031605 -0.1846962 1.9485975 0.1628361 -0.0879834 0.1143107 1.8541542 6 Be 1.8996304 -0.1286563 0.0559297 0.1691577 1.7947668 0.1685908 -0.0784948 0.1605393 1.7503956 7 Be 1.8996304 -0.1286563 -0.0559297 0.1691577 1.7947668 -0.1685908 0.0784948 -0.1605393 1.7503956 8 Be 1.8996304 -0.1286563 -0.0559297 0.1691577 1.7947668 -0.1685908 0.0784948 -0.1605393 1.7503956 9 Be 1.8996304 0.1286563 -0.0559297 -0.1691577 1.7947668 0.1685908 0.0784948 0.1605393 1.7503956 10 Be 1.8996304 -0.1286563 0.0559297 0.1691577 1.7947668 0.1685908 -0.0784948 0.1605393 1.7503956 11 Be 1.8955155 0.1194061 0.0031605 -0.1846962 1.9485975 -0.1628361 0.0879834 -0.1143107 1.8541542 12 Be 1.8955155 -0.1194061 -0.0031605 0.1846962 1.9485975 -0.1628361 -0.0879834 -0.1143107 1.8541542 13 Be 1.8955155 -0.1194061 0.0031605 0.1846962 1.9485975 0.1628361 0.0879834 0.1143107 1.8541542 14 Be 1.8996304 0.1286563 0.0559297 -0.1691577 1.7947668 -0.1685908 -0.0784948 -0.1605393 1.7503956 15 Be 1.8955155 -0.1194061 0.0031605 0.1846962 1.9485975 0.1628361 0.0879834 0.1143107 1.8541542 16 Be 1.8996304 0.1286563 -0.0559297 -0.1691577 1.7947668 0.1685908 0.0784948 0.1605393 1.7503956 17 Be 1.8955155 0.1194061 0.0031605 -0.1846962 1.9485975 -0.1628361 0.0879834 -0.1143107 1.8541542 18 Be 1.8996304 0.1286563 0.0559297 -0.1691577 1.7947668 -0.1685908 -0.0784948 -0.1605393 1.7503956 19 Be 1.8955155 0.1194061 -0.0031605 -0.1846962 1.9485975 0.1628361 -0.0879834 0.1143107 1.8541542 20 Be 1.8955155 -0.1194061 -0.0031605 0.1846962 1.9485975 -0.1628361 -0.0879834 -0.1143107 1.8541542 21 B 2.3963437 0.0000000 0.7023963 -0.0000000 2.7781057 -0.0000000 0.8142369 -0.0000000 0.9027430 22 B 2.3963437 0.0000000 0.7023963 -0.0000000 2.7781057 -0.0000000 0.8142369 -0.0000000 0.9027430 23 B 2.3963437 0.0000000 -0.7023963 -0.0000000 2.7781057 -0.0000000 -0.8142369 -0.0000000 0.9027430 24 B 1.8900012 0.3096233 -0.9528770 0.2756966 2.4235094 0.6488014 -0.9988534 0.6997946 1.7935983 25 B 1.8900012 0.3096233 0.9528770 0.2756966 2.4235094 -0.6488014 0.9988534 -0.6997946 1.7935983 26 B 1.8900012 -0.3096233 -0.9528770 -0.2756966 2.4235094 -0.6488014 -0.9988534 -0.6997946 1.7935983 27 B 1.8900012 -0.3096233 -0.9528770 -0.2756966 2.4235094 -0.6488014 -0.9988534 -0.6997946 1.7935983 28 B 1.8900012 -0.3096233 0.9528770 -0.2756966 2.4235094 0.6488014 0.9988534 0.6997946 1.7935983 29 B 2.3963437 0.0000000 -0.7023963 -0.0000000 2.7781057 -0.0000000 -0.8142369 -0.0000000 0.9027430 30 B 1.8900012 0.3096233 -0.9528770 0.2756966 2.4235094 0.6488014 -0.9988534 0.6997946 1.7935983 31 B 1.8900012 0.3096233 0.9528770 0.2756966 2.4235094 -0.6488014 0.9988534 -0.6997946 1.7935983 32 B 1.8900012 -0.3096233 0.9528770 -0.2756966 2.4235094 0.6488014 0.9988534 0.6997946 1.7935983 33 O -1.7704091 0.2934578 -0.1650452 0.3373935 -2.2301096 0.2607703 -0.1950812 0.2980817 -0.9459691 34 O -1.7826667 -0.2142741 0.7522283 -0.1179360 -1.3125366 0.0957292 0.6471845 0.1041315 -1.9225259 35 O -1.7826667 0.2142741 -0.7522283 0.1179360 -1.3125366 0.0957292 -0.6471845 0.1041315 -1.9225259 36 O -1.7704091 0.2934578 0.1650452 0.3373935 -2.2301096 -0.2607703 0.1950812 -0.2980817 -0.9459691 37 O -1.6389246 0.4473590 -0.3691331 0.4252816 -1.9597662 -0.2160229 -0.3644256 -0.2541185 -1.2390790 38 O -1.2572029 0.1502037 -0.3419339 0.1925159 -1.8643007 0.6064406 -0.4480568 0.6524959 -1.8178308 39 O -1.6389246 0.4473590 0.3691331 0.4252816 -1.9597662 0.2160229 0.3644256 0.2541185 -1.2390790 40 O -1.7826667 -0.2142741 -0.7522283 -0.1179360 -1.3125366 -0.0957292 -0.6471845 -0.1041315 -1.9225259 41 O -2.1053120 0.0000000 -0.4790953 -0.0000000 -1.7343036 -0.0000000 -0.5550038 -0.0000000 -1.0581727 42 O -2.1053120 0.0000000 0.4790953 -0.0000000 -1.7343036 -0.0000000 0.5550038 -0.0000000 -1.0581727 43 O -1.2572029 -0.1502037 -0.3419339 -0.1925159 -1.8643007 -0.6064406 -0.4480568 -0.6524959 -1.8178308 44 O -1.6389246 0.4473590 0.3691331 0.4252816 -1.9597662 0.2160229 0.3644256 0.2541185 -1.2390790 45 O -1.2572029 -0.1502037 -0.3419339 -0.1925159 -1.8643007 -0.6064406 -0.4480568 -0.6524959 -1.8178308 46 O -1.7826667 0.2142741 0.7522283 0.1179360 -1.3125366 -0.0957292 0.6471845 -0.1041315 -1.9225259 47 O -1.6389246 0.4473590 -0.3691331 0.4252816 -1.9597662 -0.2160229 -0.3644256 -0.2541185 -1.2390790 48 O -1.7826667 0.2142741 -0.7522283 0.1179360 -1.3125366 0.0957292 -0.6471845 0.1041315 -1.9225259 49 O -1.7704091 -0.2934578 -0.1650452 -0.3373935 -2.2301096 -0.2607703 -0.1950812 -0.2980817 -0.9459691 50 O -1.2572029 -0.1502037 0.3419339 -0.1925159 -1.8643007 0.6064406 0.4480568 0.6524959 -1.8178308 51 O -1.6389246 -0.4473590 -0.3691331 -0.4252816 -1.9597662 0.2160229 -0.3644256 0.2541185 -1.2390790 52 O -1.7826667 -0.2142741 0.7522283 -0.1179360 -1.3125366 0.0957292 0.6471845 0.1041315 -1.9225259 53 O -1.6389246 -0.4473590 -0.3691331 -0.4252816 -1.9597662 0.2160229 -0.3644256 0.2541185 -1.2390790 54 O -1.6389246 -0.4473590 0.3691331 -0.4252816 -1.9597662 -0.2160229 0.3644256 -0.2541185 -1.2390790 55 O -1.2572029 0.1502037 0.3419339 0.1925159 -1.8643007 -0.6064406 0.4480568 -0.6524959 -1.8178308 56 O -2.1053120 0.0000000 -0.4790953 -0.0000000 -1.7343036 -0.0000000 -0.5550038 -0.0000000 -1.0581727 57 O -1.2572029 0.1502037 -0.3419339 0.1925159 -1.8643007 0.6064406 -0.4480568 0.6524959 -1.8178308 58 O -1.2572029 0.1502037 0.3419339 0.1925159 -1.8643007 -0.6064406 0.4480568 -0.6524959 -1.8178308 59 O -1.7704091 0.2934578 -0.1650452 0.3373935 -2.2301096 0.2607703 -0.1950812 0.2980817 -0.9459691 60 O -1.7826667 0.2142741 0.7522283 0.1179360 -1.3125366 -0.0957292 0.6471845 -0.1041315 -1.9225259 61 O -1.7704091 0.2934578 0.1650452 0.3373935 -2.2301096 -0.2607703 0.1950812 -0.2980817 -0.9459691 62 O -1.7704091 -0.2934578 0.1650452 -0.3373935 -2.2301096 0.2607703 0.1950812 0.2980817 -0.9459691 63 O -1.7704091 -0.2934578 0.1650452 -0.3373935 -2.2301096 0.2607703 0.1950812 0.2980817 -0.9459691 64 O -1.2572029 -0.1502037 0.3419339 -0.1925159 -1.8643007 0.6064406 0.4480568 0.6524959 -1.8178308 65 O -1.6389246 -0.4473590 0.3691331 -0.4252816 -1.9597662 -0.2160229 0.3644256 -0.2541185 -1.2390790 66 O -1.7704091 -0.2934578 -0.1650452 -0.3373935 -2.2301096 -0.2607703 -0.1950812 -0.2980817 -0.9459691 67 O -1.7826667 -0.2142741 -0.7522283 -0.1179360 -1.3125366 -0.0957292 -0.6471845 -0.1041315 -1.9225259 68 O -2.1053120 0.0000000 0.4790953 -0.0000000 -1.7343036 -0.0000000 0.5550038 -0.0000000 -1.0581727 ---------------------------------------------------------------------------- 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[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 47, 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[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:35:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:35:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.515653120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.254530570000004 0.000000000000000 c 0.000000000000000 0.000000000000000 6.369294640000000 Atomic positions (fractional): 1 Rb 0.93875033167301 0.75000000000000 0.17784306528898 85.468 2 Rb 0.06124966832699 0.25000000000000 0.82215693471102 85.468 3 Rb 0.56124966832699 0.25000000000000 0.67784306528898 85.468 4 Rb 0.43875033167301 0.75000000000000 0.32215693471102 85.468 5 Be 0.27727982906318 0.85673755791416 0.85803145473205 9.012 6 Be 0.43907676874348 0.05679001981908 0.09613151987039 9.012 7 Be 0.93907676874348 0.05679001981908 0.40386848012961 9.012 8 Be 0.06092323125652 0.94320998018092 0.59613151987039 9.012 9 Be 0.93907676874348 0.44320998018092 0.40386848012961 9.012 10 Be 0.56092323125652 0.94320998018092 0.90386848012961 9.012 11 Be 0.77727982906318 0.85673755791416 0.64196854526795 9.012 12 Be 0.72272017093682 0.35673755791416 0.14196854526795 9.012 13 Be 0.77727982906318 0.64326244208584 0.64196854526795 9.012 14 Be 0.43907676874348 0.44320998018092 0.09613151987039 9.012 15 Be 0.22272017093682 0.35673755791416 0.35803145473205 9.012 16 Be 0.06092323125652 0.55679001981908 0.59613151987039 9.012 17 Be 0.22272017093682 0.14326244208584 0.35803145473205 9.012 18 Be 0.56092323125652 0.55679001981908 0.90386848012961 9.012 19 Be 0.72272017093682 0.14326244208584 0.14196854526795 9.012 20 Be 0.27727982906318 0.64326244208584 0.85803145473205 9.012 21 B 0.04777393935745 0.75000000000000 0.69263672306066 10.811 22 B 0.95222606064255 0.25000000000000 0.30736327693934 10.811 23 B 0.45222606064255 0.25000000000000 0.19263672306066 10.811 24 B 0.17949839802455 0.96351264419952 0.20028928334111 10.811 25 B 0.67949839802455 0.96351264419952 0.29971071665889 10.811 26 B 0.17949839802455 0.53648735580048 0.20028928334111 10.811 27 B 0.82050160197545 0.46351264419952 0.79971071665889 10.811 28 B 0.67949839802455 0.53648735580048 0.29971071665889 10.811 29 B 0.54777393935745 0.75000000000000 0.80736327693934 10.811 30 B 0.82050160197545 0.03648735580048 0.79971071665889 10.811 31 B 0.32050160197545 0.03648735580048 0.70028928334111 10.811 32 B 0.32050160197545 0.46351264419952 0.70028928334111 10.811 33 O 0.02904812264404 0.16079692411299 0.34533565975548 15.999 34 O 0.05390636799856 0.53734620681269 0.34134288066348 15.999 35 O 0.55390636799857 0.96265379318731 0.15865711933652 15.999 36 O 0.47095187735597 0.83920307588701 0.84533565975548 15.999 37 O 0.23478471595736 0.55345343912380 0.68996503686582 15.999 38 O 0.28633194864372 0.11920464206991 0.58633499249258 15.999 39 O 0.73478471595736 0.55345343912380 0.81003496313418 15.999 40 O 0.44609363200143 0.46265379318731 0.84134288066348 15.999 41 O 0.80075889664374 0.25000000000000 0.23208272204753 15.999 42 O 0.30075889664374 0.25000000000000 0.26791727795247 15.999 43 O 0.71366805135628 0.61920464206991 0.41366500750742 15.999 44 O 0.26521528404264 0.44654656087620 0.18996503686582 15.999 45 O 0.28633194864372 0.38079535793009 0.58633499249258 15.999 46 O 0.94609363200143 0.03734620681269 0.65865711933652 15.999 47 O 0.76521528404264 0.44654656087620 0.31003496313418 15.999 48 O 0.44609363200143 0.03734620681269 0.84134288066348 15.999 49 O 0.02904812264404 0.33920307588701 0.34533565975548 15.999 50 O 0.21366805135628 0.61920464206991 0.08633499249258 15.999 51 O 0.76521528404264 0.05345343912380 0.31003496313418 15.999 52 O 0.94609363200143 0.46265379318731 0.65865711933652 15.999 53 O 0.23478471595736 0.94654656087620 0.68996503686582 15.999 54 O 0.26521528404264 0.05345343912380 0.18996503686582 15.999 55 O 0.21366805135628 0.88079535793009 0.08633499249258 15.999 56 O 0.19924110335626 0.75000000000000 0.76791727795247 15.999 57 O 0.71366805135628 0.88079535793009 0.41366500750742 15.999 58 O 0.78633194864372 0.11920464206991 0.91366500750742 15.999 59 O 0.97095187735597 0.83920307588701 0.65466434024452 15.999 60 O 0.05390636799856 0.96265379318731 0.34134288066348 15.999 61 O 0.52904812264403 0.16079692411299 0.15466434024452 15.999 62 O 0.52904812264403 0.33920307588701 0.15466434024452 15.999 63 O 0.47095187735597 0.66079692411299 0.84533565975548 15.999 64 O 0.78633194864372 0.38079535793009 0.91366500750742 15.999 65 O 0.73478471595736 0.94654656087620 0.81003496313418 15.999 66 O 0.97095187735597 0.66079692411299 0.65466434024452 15.999 67 O 0.55390636799857 0.53734620681269 0.15865711933652 15.999 68 O 0.69924110335626 0.75000000000000 0.73208272204753 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.515653120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.254530570000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.738589279999999 Atomic positions (fractional): 1 Rb 0.93875033167301 0.75000000000000 0.08892153264449 85.468 > 1 2 Rb 0.93875033167301 0.75000000000000 0.58892153264449 85.468 > 1 3 Rb 0.06124966832699 0.25000000000000 0.41107846735551 85.468 > 3 4 Rb 0.06124966832699 0.25000000000000 0.91107846735551 85.468 > 3 5 Rb 0.56124966832699 0.25000000000000 0.33892153264449 85.468 > 5 6 Rb 0.56124966832699 0.25000000000000 0.83892153264449 85.468 > 5 7 Rb 0.43875033167301 0.75000000000000 0.16107846735551 85.468 > 7 8 Rb 0.43875033167301 0.75000000000000 0.66107846735551 85.468 > 7 9 Be 0.27727982906318 0.85673755791416 0.42901572736603 9.012 > 9 10 Be 0.27727982906318 0.85673755791416 0.92901572736603 9.012 > 9 11 Be 0.43907676874348 0.05679001981908 0.04806575993519 9.012 > 11 12 Be 0.43907676874348 0.05679001981908 0.54806575993519 9.012 > 11 13 Be 0.93907676874348 0.05679001981908 0.20193424006481 9.012 > 13 14 Be 0.93907676874348 0.05679001981908 0.70193424006481 9.012 > 13 15 Be 0.06092323125652 0.94320998018092 0.29806575993519 9.012 > 15 16 Be 0.06092323125652 0.94320998018092 0.79806575993519 9.012 > 15 17 Be 0.93907676874348 0.44320998018092 0.20193424006481 9.012 > 17 18 Be 0.93907676874348 0.44320998018092 0.70193424006481 9.012 > 17 19 Be 0.56092323125652 0.94320998018092 0.45193424006481 9.012 > 19 20 Be 0.56092323125652 0.94320998018092 0.95193424006481 9.012 > 19 21 Be 0.77727982906318 0.85673755791416 0.32098427263397 9.012 > 21 22 Be 0.77727982906318 0.85673755791416 0.82098427263397 9.012 > 21 23 Be 0.72272017093682 0.35673755791416 0.07098427263397 9.012 > 23 24 Be 0.72272017093682 0.35673755791416 0.57098427263397 9.012 > 23 25 Be 0.77727982906318 0.64326244208584 0.32098427263397 9.012 > 25 26 Be 0.77727982906318 0.64326244208584 0.82098427263397 9.012 > 25 27 Be 0.43907676874348 0.44320998018092 0.04806575993519 9.012 > 27 28 Be 0.43907676874348 0.44320998018092 0.54806575993519 9.012 > 27 29 Be 0.22272017093682 0.35673755791416 0.17901572736603 9.012 > 29 30 Be 0.22272017093682 0.35673755791416 0.67901572736603 9.012 > 29 31 Be 0.06092323125652 0.55679001981908 0.29806575993519 9.012 > 31 32 Be 0.06092323125652 0.55679001981908 0.79806575993519 9.012 > 31 33 Be 0.22272017093682 0.14326244208584 0.17901572736603 9.012 > 33 34 Be 0.22272017093682 0.14326244208584 0.67901572736603 9.012 > 33 35 Be 0.56092323125652 0.55679001981908 0.45193424006481 9.012 > 35 36 Be 0.56092323125652 0.55679001981908 0.95193424006481 9.012 > 35 37 Be 0.72272017093682 0.14326244208584 0.07098427263397 9.012 > 37 38 Be 0.72272017093682 0.14326244208584 0.57098427263397 9.012 > 37 39 Be 0.27727982906318 0.64326244208584 0.42901572736603 9.012 > 39 40 Be 0.27727982906318 0.64326244208584 0.92901572736603 9.012 > 39 41 B 0.04777393935745 0.75000000000000 0.34631836153033 10.811 > 41 42 B 0.04777393935745 0.75000000000000 0.84631836153033 10.811 > 41 43 B 0.95222606064255 0.25000000000000 0.15368163846967 10.811 > 43 44 B 0.95222606064255 0.25000000000000 0.65368163846967 10.811 > 43 45 B 0.45222606064255 0.25000000000000 0.09631836153033 10.811 > 45 46 B 0.45222606064255 0.25000000000000 0.59631836153033 10.811 > 45 47 B 0.17949839802455 0.96351264419952 0.10014464167056 10.811 > 47 48 B 0.17949839802455 0.96351264419952 0.60014464167056 10.811 > 47 49 B 0.67949839802455 0.96351264419952 0.14985535832944 10.811 > 49 50 B 0.67949839802455 0.96351264419952 0.64985535832944 10.811 > 49 51 B 0.17949839802455 0.53648735580048 0.10014464167056 10.811 > 51 52 B 0.17949839802455 0.53648735580048 0.60014464167056 10.811 > 51 53 B 0.82050160197545 0.46351264419952 0.39985535832944 10.811 > 53 54 B 0.82050160197545 0.46351264419952 0.89985535832944 10.811 > 53 55 B 0.67949839802455 0.53648735580048 0.14985535832944 10.811 > 55 56 B 0.67949839802455 0.53648735580048 0.64985535832944 10.811 > 55 57 B 0.54777393935745 0.75000000000000 0.40368163846967 10.811 > 57 58 B 0.54777393935745 0.75000000000000 0.90368163846967 10.811 > 57 59 B 0.82050160197545 0.03648735580048 0.39985535832944 10.811 > 59 60 B 0.82050160197545 0.03648735580048 0.89985535832944 10.811 > 59 61 B 0.32050160197545 0.03648735580048 0.35014464167056 10.811 > 61 62 B 0.32050160197545 0.03648735580048 0.85014464167056 10.811 > 61 63 B 0.32050160197545 0.46351264419952 0.35014464167056 10.811 > 63 64 B 0.32050160197545 0.46351264419952 0.85014464167056 10.811 > 63 65 O 0.02904812264404 0.16079692411299 0.17266782987774 15.999 > 65 66 O 0.02904812264404 0.16079692411299 0.67266782987774 15.999 > 65 67 O 0.05390636799856 0.53734620681269 0.17067144033174 15.999 > 67 68 O 0.05390636799856 0.53734620681269 0.67067144033174 15.999 > 67 69 O 0.55390636799857 0.96265379318731 0.07932855966826 15.999 > 69 70 O 0.55390636799857 0.96265379318731 0.57932855966826 15.999 > 69 71 O 0.47095187735597 0.83920307588701 0.42266782987774 15.999 > 71 72 O 0.47095187735597 0.83920307588701 0.92266782987774 15.999 > 71 73 O 0.23478471595736 0.55345343912380 0.34498251843291 15.999 > 73 74 O 0.23478471595736 0.55345343912380 0.84498251843291 15.999 > 73 75 O 0.28633194864372 0.11920464206991 0.29316749624629 15.999 > 75 76 O 0.28633194864372 0.11920464206991 0.79316749624629 15.999 > 75 77 O 0.73478471595736 0.55345343912380 0.40501748156709 15.999 > 77 78 O 0.73478471595736 0.55345343912380 0.90501748156709 15.999 > 77 79 O 0.44609363200143 0.46265379318731 0.42067144033174 15.999 > 79 80 O 0.44609363200143 0.46265379318731 0.92067144033174 15.999 > 79 81 O 0.80075889664374 0.25000000000000 0.11604136102377 15.999 > 81 82 O 0.80075889664374 0.25000000000000 0.61604136102377 15.999 > 81 83 O 0.30075889664374 0.25000000000000 0.13395863897623 15.999 > 83 84 O 0.30075889664374 0.25000000000000 0.63395863897623 15.999 > 83 85 O 0.71366805135628 0.61920464206991 0.20683250375371 15.999 > 85 86 O 0.71366805135628 0.61920464206991 0.70683250375371 15.999 > 85 87 O 0.26521528404264 0.44654656087620 0.09498251843291 15.999 > 87 88 O 0.26521528404264 0.44654656087620 0.59498251843291 15.999 > 87 89 O 0.28633194864372 0.38079535793009 0.29316749624629 15.999 > 89 90 O 0.28633194864372 0.38079535793009 0.79316749624629 15.999 > 89 91 O 0.94609363200143 0.03734620681269 0.32932855966826 15.999 > 91 92 O 0.94609363200143 0.03734620681269 0.82932855966826 15.999 > 91 93 O 0.76521528404264 0.44654656087620 0.15501748156709 15.999 > 93 94 O 0.76521528404264 0.44654656087620 0.65501748156709 15.999 > 93 95 O 0.44609363200143 0.03734620681269 0.42067144033174 15.999 > 95 96 O 0.44609363200143 0.03734620681269 0.92067144033174 15.999 > 95 97 O 0.02904812264404 0.33920307588701 0.17266782987774 15.999 > 97 98 O 0.02904812264404 0.33920307588701 0.67266782987774 15.999 > 97 99 O 0.21366805135628 0.61920464206991 0.04316749624629 15.999 > 99 100 O 0.21366805135628 0.61920464206991 0.54316749624629 15.999 > 99 101 O 0.76521528404264 0.05345343912380 0.15501748156709 15.999 > 101 102 O 0.76521528404264 0.05345343912380 0.65501748156709 15.999 > 101 103 O 0.94609363200143 0.46265379318731 0.32932855966826 15.999 > 103 104 O 0.94609363200143 0.46265379318731 0.82932855966826 15.999 > 103 105 O 0.23478471595736 0.94654656087620 0.34498251843291 15.999 > 105 106 O 0.23478471595736 0.94654656087620 0.84498251843291 15.999 > 105 107 O 0.26521528404264 0.05345343912380 0.09498251843291 15.999 > 107 108 O 0.26521528404264 0.05345343912380 0.59498251843291 15.999 > 107 109 O 0.21366805135628 0.88079535793009 0.04316749624629 15.999 > 109 110 O 0.21366805135628 0.88079535793009 0.54316749624629 15.999 > 109 111 O 0.19924110335626 0.75000000000000 0.38395863897623 15.999 > 111 112 O 0.19924110335626 0.75000000000000 0.88395863897623 15.999 > 111 113 O 0.71366805135628 0.88079535793009 0.20683250375371 15.999 > 113 114 O 0.71366805135628 0.88079535793009 0.70683250375371 15.999 > 113 115 O 0.78633194864372 0.11920464206991 0.45683250375371 15.999 > 115 116 O 0.78633194864372 0.11920464206991 0.95683250375371 15.999 > 115 117 O 0.97095187735597 0.83920307588701 0.32733217012226 15.999 > 117 118 O 0.97095187735597 0.83920307588701 0.82733217012226 15.999 > 117 119 O 0.05390636799856 0.96265379318731 0.17067144033174 15.999 > 119 120 O 0.05390636799856 0.96265379318731 0.67067144033174 15.999 > 119 121 O 0.52904812264403 0.16079692411299 0.07733217012226 15.999 > 121 122 O 0.52904812264403 0.16079692411299 0.57733217012226 15.999 > 121 123 O 0.52904812264403 0.33920307588701 0.07733217012226 15.999 > 123 124 O 0.52904812264403 0.33920307588701 0.57733217012226 15.999 > 123 125 O 0.47095187735597 0.66079692411299 0.42266782987774 15.999 > 125 126 O 0.47095187735597 0.66079692411299 0.92266782987774 15.999 > 125 127 O 0.78633194864372 0.38079535793009 0.45683250375371 15.999 > 127 128 O 0.78633194864372 0.38079535793009 0.95683250375371 15.999 > 127 129 O 0.73478471595736 0.94654656087620 0.40501748156709 15.999 > 129 130 O 0.73478471595736 0.94654656087620 0.90501748156709 15.999 > 129 131 O 0.97095187735597 0.66079692411299 0.32733217012226 15.999 > 131 132 O 0.97095187735597 0.66079692411299 0.82733217012226 15.999 > 131 133 O 0.55390636799857 0.53734620681269 0.07932855966826 15.999 > 133 134 O 0.55390636799857 0.53734620681269 0.57932855966826 15.999 > 133 135 O 0.69924110335626 0.75000000000000 0.36604136102377 15.999 > 135 136 O 0.69924110335626 0.75000000000000 0.86604136102377 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6045097 0.0000000 0.0000000 0.0000000 2.7045896 0.0000000 0.0000000 0.0000000 2.5060774 -------------------------- Born effective charges -------------------------- 1 Rb 1.2370809 0.0000000 -0.1094393 -0.0000000 1.3558766 -0.0000000 -0.0919663 -0.0000000 1.2099432 2 Rb 1.2370809 0.0000000 -0.1094393 -0.0000000 1.3558766 -0.0000000 -0.0919663 -0.0000000 1.2099432 3 Rb 1.2370809 0.0000000 0.1094393 -0.0000000 1.3558766 -0.0000000 0.0919663 -0.0000000 1.2099432 4 Rb 1.2370809 0.0000000 0.1094393 -0.0000000 1.3558766 -0.0000000 0.0919663 -0.0000000 1.2099432 5 Be 1.8955155 0.1194061 -0.0031605 -0.1846962 1.9485975 0.1628361 -0.0879834 0.1143107 1.8541542 6 Be 1.8996304 -0.1286563 0.0559297 0.1691577 1.7947668 0.1685908 -0.0784948 0.1605393 1.7503956 7 Be 1.8996304 -0.1286563 -0.0559297 0.1691577 1.7947668 -0.1685908 0.0784948 -0.1605393 1.7503956 8 Be 1.8996304 -0.1286563 -0.0559297 0.1691577 1.7947668 -0.1685908 0.0784948 -0.1605393 1.7503956 9 Be 1.8996304 0.1286563 -0.0559297 -0.1691577 1.7947668 0.1685908 0.0784948 0.1605393 1.7503956 10 Be 1.8996304 -0.1286563 0.0559297 0.1691577 1.7947668 0.1685908 -0.0784948 0.1605393 1.7503956 11 Be 1.8955155 0.1194061 0.0031605 -0.1846962 1.9485975 -0.1628361 0.0879834 -0.1143107 1.8541542 12 Be 1.8955155 -0.1194061 -0.0031605 0.1846962 1.9485975 -0.1628361 -0.0879834 -0.1143107 1.8541542 13 Be 1.8955155 -0.1194061 0.0031605 0.1846962 1.9485975 0.1628361 0.0879834 0.1143107 1.8541542 14 Be 1.8996304 0.1286563 0.0559297 -0.1691577 1.7947668 -0.1685908 -0.0784948 -0.1605393 1.7503956 15 Be 1.8955155 -0.1194061 0.0031605 0.1846962 1.9485975 0.1628361 0.0879834 0.1143107 1.8541542 16 Be 1.8996304 0.1286563 -0.0559297 -0.1691577 1.7947668 0.1685908 0.0784948 0.1605393 1.7503956 17 Be 1.8955155 0.1194061 0.0031605 -0.1846962 1.9485975 -0.1628361 0.0879834 -0.1143107 1.8541542 18 Be 1.8996304 0.1286563 0.0559297 -0.1691577 1.7947668 -0.1685908 -0.0784948 -0.1605393 1.7503956 19 Be 1.8955155 0.1194061 -0.0031605 -0.1846962 1.9485975 0.1628361 -0.0879834 0.1143107 1.8541542 20 Be 1.8955155 -0.1194061 -0.0031605 0.1846962 1.9485975 -0.1628361 -0.0879834 -0.1143107 1.8541542 21 B 2.3963437 0.0000000 0.7023963 -0.0000000 2.7781057 -0.0000000 0.8142369 -0.0000000 0.9027430 22 B 2.3963437 0.0000000 0.7023963 -0.0000000 2.7781057 -0.0000000 0.8142369 -0.0000000 0.9027430 23 B 2.3963437 0.0000000 -0.7023963 -0.0000000 2.7781057 -0.0000000 -0.8142369 -0.0000000 0.9027430 24 B 1.8900012 0.3096233 -0.9528770 0.2756966 2.4235094 0.6488014 -0.9988534 0.6997946 1.7935983 25 B 1.8900012 0.3096233 0.9528770 0.2756966 2.4235094 -0.6488014 0.9988534 -0.6997946 1.7935983 26 B 1.8900012 -0.3096233 -0.9528770 -0.2756966 2.4235094 -0.6488014 -0.9988534 -0.6997946 1.7935983 27 B 1.8900012 -0.3096233 -0.9528770 -0.2756966 2.4235094 -0.6488014 -0.9988534 -0.6997946 1.7935983 28 B 1.8900012 -0.3096233 0.9528770 -0.2756966 2.4235094 0.6488014 0.9988534 0.6997946 1.7935983 29 B 2.3963437 0.0000000 -0.7023963 -0.0000000 2.7781057 -0.0000000 -0.8142369 -0.0000000 0.9027430 30 B 1.8900012 0.3096233 -0.9528770 0.2756966 2.4235094 0.6488014 -0.9988534 0.6997946 1.7935983 31 B 1.8900012 0.3096233 0.9528770 0.2756966 2.4235094 -0.6488014 0.9988534 -0.6997946 1.7935983 32 B 1.8900012 -0.3096233 0.9528770 -0.2756966 2.4235094 0.6488014 0.9988534 0.6997946 1.7935983 33 O -1.7704091 0.2934578 -0.1650452 0.3373935 -2.2301096 0.2607703 -0.1950812 0.2980817 -0.9459691 34 O -1.7826667 -0.2142741 0.7522283 -0.1179360 -1.3125366 0.0957292 0.6471845 0.1041315 -1.9225259 35 O -1.7826667 0.2142741 -0.7522283 0.1179360 -1.3125366 0.0957292 -0.6471845 0.1041315 -1.9225259 36 O -1.7704091 0.2934578 0.1650452 0.3373935 -2.2301096 -0.2607703 0.1950812 -0.2980817 -0.9459691 37 O -1.6389246 0.4473590 -0.3691331 0.4252816 -1.9597662 -0.2160229 -0.3644256 -0.2541185 -1.2390790 38 O -1.2572029 0.1502037 -0.3419339 0.1925159 -1.8643007 0.6064406 -0.4480568 0.6524959 -1.8178308 39 O -1.6389246 0.4473590 0.3691331 0.4252816 -1.9597662 0.2160229 0.3644256 0.2541185 -1.2390790 40 O -1.7826667 -0.2142741 -0.7522283 -0.1179360 -1.3125366 -0.0957292 -0.6471845 -0.1041315 -1.9225259 41 O -2.1053120 0.0000000 -0.4790953 -0.0000000 -1.7343036 -0.0000000 -0.5550038 -0.0000000 -1.0581727 42 O -2.1053120 0.0000000 0.4790953 -0.0000000 -1.7343036 -0.0000000 0.5550038 -0.0000000 -1.0581727 43 O -1.2572029 -0.1502037 -0.3419339 -0.1925159 -1.8643007 -0.6064406 -0.4480568 -0.6524959 -1.8178308 44 O -1.6389246 0.4473590 0.3691331 0.4252816 -1.9597662 0.2160229 0.3644256 0.2541185 -1.2390790 45 O -1.2572029 -0.1502037 -0.3419339 -0.1925159 -1.8643007 -0.6064406 -0.4480568 -0.6524959 -1.8178308 46 O -1.7826667 0.2142741 0.7522283 0.1179360 -1.3125366 -0.0957292 0.6471845 -0.1041315 -1.9225259 47 O -1.6389246 0.4473590 -0.3691331 0.4252816 -1.9597662 -0.2160229 -0.3644256 -0.2541185 -1.2390790 48 O -1.7826667 0.2142741 -0.7522283 0.1179360 -1.3125366 0.0957292 -0.6471845 0.1041315 -1.9225259 49 O -1.7704091 -0.2934578 -0.1650452 -0.3373935 -2.2301096 -0.2607703 -0.1950812 -0.2980817 -0.9459691 50 O -1.2572029 -0.1502037 0.3419339 -0.1925159 -1.8643007 0.6064406 0.4480568 0.6524959 -1.8178308 51 O -1.6389246 -0.4473590 -0.3691331 -0.4252816 -1.9597662 0.2160229 -0.3644256 0.2541185 -1.2390790 52 O -1.7826667 -0.2142741 0.7522283 -0.1179360 -1.3125366 0.0957292 0.6471845 0.1041315 -1.9225259 53 O -1.6389246 -0.4473590 -0.3691331 -0.4252816 -1.9597662 0.2160229 -0.3644256 0.2541185 -1.2390790 54 O -1.6389246 -0.4473590 0.3691331 -0.4252816 -1.9597662 -0.2160229 0.3644256 -0.2541185 -1.2390790 55 O -1.2572029 0.1502037 0.3419339 0.1925159 -1.8643007 -0.6064406 0.4480568 -0.6524959 -1.8178308 56 O -2.1053120 0.0000000 -0.4790953 -0.0000000 -1.7343036 -0.0000000 -0.5550038 -0.0000000 -1.0581727 57 O -1.2572029 0.1502037 -0.3419339 0.1925159 -1.8643007 0.6064406 -0.4480568 0.6524959 -1.8178308 58 O -1.2572029 0.1502037 0.3419339 0.1925159 -1.8643007 -0.6064406 0.4480568 -0.6524959 -1.8178308 59 O -1.7704091 0.2934578 -0.1650452 0.3373935 -2.2301096 0.2607703 -0.1950812 0.2980817 -0.9459691 60 O -1.7826667 0.2142741 0.7522283 0.1179360 -1.3125366 -0.0957292 0.6471845 -0.1041315 -1.9225259 61 O -1.7704091 0.2934578 0.1650452 0.3373935 -2.2301096 -0.2607703 0.1950812 -0.2980817 -0.9459691 62 O -1.7704091 -0.2934578 0.1650452 -0.3373935 -2.2301096 0.2607703 0.1950812 0.2980817 -0.9459691 63 O -1.7704091 -0.2934578 0.1650452 -0.3373935 -2.2301096 0.2607703 0.1950812 0.2980817 -0.9459691 64 O -1.2572029 -0.1502037 0.3419339 -0.1925159 -1.8643007 0.6064406 0.4480568 0.6524959 -1.8178308 65 O -1.6389246 -0.4473590 0.3691331 -0.4252816 -1.9597662 -0.2160229 0.3644256 -0.2541185 -1.2390790 66 O -1.7704091 -0.2934578 -0.1650452 -0.3373935 -2.2301096 -0.2607703 -0.1950812 -0.2980817 -0.9459691 67 O -1.7826667 -0.2142741 -0.7522283 -0.1179360 -1.3125366 -0.0957292 -0.6471845 -0.1041315 -1.9225259 68 O -2.1053120 0.0000000 0.4790953 -0.0000000 -1.7343036 -0.0000000 0.5550038 -0.0000000 -1.0581727 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (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 ... [ 6 4 8 ] 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: 0.46, Number of G-points: 283, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 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 1.469 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.168 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.244 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.374 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.318 ( 0.000 0.000 0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 9.801 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 10.252 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.458 ( 0.000 0.000 0.000) 0.000 10.520 ( 0.000 0.000 0.000) 0.000 10.534 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 11.175 ( 0.000 0.000 0.000) 0.000 11.375 ( 0.000 0.000 0.000) 0.000 11.411 ( 0.000 0.000 0.000) 0.000 11.890 ( 0.000 0.000 0.000) 0.000 11.909 ( 0.000 0.000 0.000) 0.000 11.950 ( 0.000 0.000 0.000) 0.000 11.995 ( 0.000 0.000 0.000) 0.000 12.010 ( 0.000 0.000 0.000) 0.000 12.069 ( 0.000 0.000 0.000) 0.000 12.314 ( 0.000 0.000 0.000) 0.000 12.345 ( 0.000 0.000 0.000) 0.000 12.350 ( 0.000 0.000 0.000) 0.000 12.444 ( 0.000 0.000 0.000) 0.000 13.173 ( 0.000 0.000 0.000) 0.000 13.190 ( 0.000 0.000 0.000) 0.000 13.933 ( 0.000 0.000 0.000) 0.000 13.962 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 14.805 ( 0.000 0.000 0.000) 0.000 15.008 ( 0.000 0.000 0.000) 0.000 15.147 ( 0.000 0.000 0.000) 0.000 15.156 ( 0.000 0.000 0.000) 0.000 15.383 ( 0.000 0.000 0.000) 0.000 15.510 ( 0.000 0.000 0.000) 0.000 16.121 ( 0.000 0.000 0.000) 0.000 16.427 ( 0.000 0.000 0.000) 0.000 16.715 ( 0.000 0.000 0.000) 0.000 16.741 ( 0.000 0.000 0.000) 0.000 16.764 ( 0.000 0.000 0.000) 0.000 17.159 ( 0.000 0.000 0.000) 0.000 17.330 ( 0.000 0.000 0.000) 0.000 17.397 ( 0.000 0.000 0.000) 0.000 17.398 ( 0.000 0.000 0.000) 0.000 17.718 ( 0.000 0.000 0.000) 0.000 17.817 ( 0.000 0.000 0.000) 0.000 17.896 ( 0.000 0.000 0.000) 0.000 18.005 ( 0.000 0.000 0.000) 0.000 18.133 ( 0.000 0.000 0.000) 0.000 18.204 ( 0.000 0.000 0.000) 0.000 18.548 ( 0.000 0.000 0.000) 0.000 18.580 ( 0.000 0.000 0.000) 0.000 18.757 ( 0.000 0.000 0.000) 0.000 18.816 ( 0.000 0.000 0.000) 0.000 19.158 ( 0.000 0.000 0.000) 0.000 19.207 ( 0.000 0.000 0.000) 0.000 20.075 ( 0.000 0.000 0.000) 0.000 20.222 ( 0.000 0.000 0.000) 0.000 20.246 ( 0.000 0.000 0.000) 0.000 20.433 ( 0.000 0.000 0.000) 0.000 20.601 ( 0.000 0.000 0.000) 0.000 20.643 ( 0.000 0.000 0.000) 0.000 20.708 ( 0.000 0.000 0.000) 0.000 20.759 ( 0.000 0.000 0.000) 0.000 20.842 ( 0.000 0.000 0.000) 0.000 20.946 ( 0.000 0.000 0.000) 0.000 21.022 ( 0.000 0.000 0.000) 0.000 21.195 ( 0.000 0.000 0.000) 0.000 21.204 ( 0.000 0.000 0.000) 0.000 21.293 ( 0.000 0.000 0.000) 0.000 21.498 ( 0.000 0.000 0.000) 0.000 21.507 ( 0.000 0.000 0.000) 0.000 21.732 ( 0.000 0.000 0.000) 0.000 21.794 ( 0.000 0.000 0.000) 0.000 21.854 ( 0.000 0.000 0.000) 0.000 21.939 ( 0.000 0.000 0.000) 0.000 22.020 ( 0.000 0.000 0.000) 0.000 22.357 ( 0.000 0.000 0.000) 0.000 22.395 ( 0.000 0.000 0.000) 0.000 22.430 ( 0.000 0.000 0.000) 0.000 22.440 ( 0.000 0.000 0.000) 0.000 22.824 ( 0.000 0.000 0.000) 0.000 23.005 ( 0.000 0.000 0.000) 0.000 23.057 ( 0.000 0.000 0.000) 0.000 23.068 ( 0.000 0.000 0.000) 0.000 23.104 ( 0.000 0.000 0.000) 0.000 23.136 ( 0.000 0.000 0.000) 0.000 23.324 ( 0.000 0.000 0.000) 0.000 23.401 ( 0.000 0.000 0.000) 0.000 23.407 ( 0.000 0.000 0.000) 0.000 23.412 ( 0.000 0.000 0.000) 0.000 23.482 ( 0.000 0.000 0.000) 0.000 23.627 ( 0.000 0.000 0.000) 0.000 23.693 ( 0.000 0.000 0.000) 0.000 23.697 ( 0.000 0.000 0.000) 0.000 24.024 ( 0.000 0.000 0.000) 0.000 24.290 ( 0.000 0.000 0.000) 0.000 24.297 ( 0.000 0.000 0.000) 0.000 24.470 ( 0.000 0.000 0.000) 0.000 24.666 ( 0.000 0.000 0.000) 0.000 24.813 ( 0.000 0.000 0.000) 0.000 24.939 ( 0.000 0.000 0.000) 0.000 24.943 ( 0.000 0.000 0.000) 0.000 25.271 ( 0.000 0.000 0.000) 0.000 25.282 ( 0.000 0.000 0.000) 0.000 25.535 ( 0.000 0.000 0.000) 0.000 26.070 ( 0.000 0.000 0.000) 0.000 26.274 ( 0.000 0.000 0.000) 0.000 26.399 ( 0.000 0.000 0.000) 0.000 26.931 ( 0.000 0.000 0.000) 0.000 26.991 ( 0.000 0.000 0.000) 0.000 27.021 ( 0.000 0.000 0.000) 0.000 27.337 ( 0.000 0.000 0.000) 0.000 29.717 ( 0.000 0.000 0.000) 0.000 30.434 ( 0.000 0.000 0.000) 0.000 30.672 ( 0.000 0.000 0.000) 0.000 30.680 ( 0.000 0.000 0.000) 0.000 30.979 ( 0.000 0.000 0.000) 0.000 31.008 ( 0.000 0.000 0.000) 0.000 31.232 ( 0.000 0.000 0.000) 0.000 31.253 ( 0.000 0.000 0.000) 0.000 31.348 ( 0.000 0.000 0.000) 0.000 31.387 ( 0.000 0.000 0.000) 0.000 31.526 ( 0.000 0.000 0.000) 0.000 31.677 ( 0.000 0.000 0.000) 0.000 35.962 ( 0.000 0.000 0.000) 0.000 36.352 ( 0.000 0.000 0.000) 0.000 36.401 ( 0.000 0.000 0.000) 0.000 36.504 ( 0.000 0.000 0.000) 0.000 36.590 ( 0.000 0.000 0.000) 0.000 36.599 ( 0.000 0.000 0.000) 0.000 38.183 ( 0.000 0.000 0.000) 0.000 38.984 ( 0.000 0.000 0.000) 0.000 39.398 ( 0.000 0.000 0.000) 0.000 39.445 ( 0.000 0.000 0.000) 0.000 39.753 ( 0.000 0.000 0.000) 0.000 40.216 ( 0.000 0.000 0.000) 0.000 40.344 ( 0.000 0.000 0.000) 0.000 40.556 ( 0.000 0.000 0.000) 0.000 40.558 ( 0.000 0.000 0.000) 0.000 40.602 ( 0.000 0.000 0.000) 0.000 41.091 ( 0.000 0.000 0.000) 0.000 41.615 ( 0.000 0.000 0.000) 0.000 42.099 ( 0.000 0.000 0.000) 0.000 42.507 ( 0.000 0.000 0.000) 0.000 42.560 ( 0.000 0.000 0.000) 0.000 42.698 ( 0.000 0.000 0.000) 0.000 43.472 ( 0.000 0.000 0.000) 0.000 44.089 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 41.973 0.000 0.000) 41.973 1.012 ( 43.560 0.000 0.000) 43.560 1.093 ( 36.815 0.000 0.000) 36.815 1.600 ( 8.140 0.000 0.000) 8.140 1.786 ( -0.813 0.000 0.000) 0.813 1.802 ( -0.910 0.000 0.000) 0.910 1.859 ( 1.517 0.000 0.000) 1.517 1.868 ( 12.166 0.000 0.000) 12.166 1.917 ( 2.594 0.000 0.000) 2.594 2.125 ( 4.087 0.000 0.000) 4.087 2.258 ( 4.126 0.000 0.000) 4.126 2.318 ( 8.626 0.000 0.000) 8.626 2.591 ( -2.078 0.000 0.000) 2.078 2.789 ( -5.182 0.000 0.000) 5.182 2.822 ( 18.963 0.000 0.000) 18.963 2.853 ( 11.129 0.000 0.000) 11.129 2.875 ( 0.294 0.000 0.000) 0.294 3.343 ( 38.369 0.000 0.000) 38.369 3.953 ( -13.772 0.000 0.000) 13.772 4.149 ( -8.320 0.000 0.000) 8.320 4.222 ( -7.543 0.000 0.000) 7.543 4.387 ( 20.198 0.000 0.000) 20.198 4.817 ( -4.521 0.000 0.000) 4.521 4.851 ( -11.921 0.000 0.000) 11.921 5.150 ( 2.765 0.000 0.000) 2.765 5.181 ( 3.170 0.000 0.000) 3.170 5.186 ( 6.323 0.000 0.000) 6.323 5.294 ( 6.738 0.000 0.000) 6.738 5.377 ( -8.939 0.000 0.000) 8.939 5.922 ( 0.899 0.000 0.000) 0.899 5.948 ( -6.114 0.000 0.000) 6.114 6.213 ( -14.279 0.000 0.000) 14.279 6.387 ( -2.687 0.000 0.000) 2.687 6.470 ( -24.467 0.000 0.000) 24.467 6.503 ( -9.560 0.000 0.000) 9.560 6.516 ( 3.194 0.000 0.000) 3.194 6.680 ( -23.639 0.000 0.000) 23.639 6.763 ( 24.592 0.000 0.000) 24.592 6.906 ( -21.780 0.000 0.000) 21.780 6.998 ( 0.557 0.000 0.000) 0.557 7.153 ( 5.721 0.000 0.000) 5.721 7.385 ( 10.810 0.000 0.000) 10.810 7.459 ( 8.985 0.000 0.000) 8.985 7.460 ( 9.619 0.000 0.000) 9.619 7.469 ( -8.894 0.000 0.000) 8.894 7.608 ( 6.052 0.000 0.000) 6.052 8.182 ( 7.308 0.000 0.000) 7.308 8.257 ( -11.849 0.000 0.000) 11.849 8.494 ( 28.233 0.000 0.000) 28.233 8.619 ( -12.729 0.000 0.000) 12.729 8.740 ( -26.489 0.000 0.000) 26.489 9.055 ( -0.910 0.000 0.000) 0.910 9.257 ( -5.975 0.000 0.000) 5.975 9.565 ( 0.072 0.000 0.000) 0.072 9.606 ( 11.943 0.000 0.000) 11.943 9.671 ( -6.805 0.000 0.000) 6.805 9.789 ( 0.287 0.000 0.000) 0.287 9.991 ( -29.828 0.000 0.000) 29.828 10.164 ( 20.356 0.000 0.000) 20.356 10.392 ( 11.792 0.000 0.000) 11.792 10.471 ( 5.989 0.000 0.000) 5.989 10.636 ( 11.711 0.000 0.000) 11.711 10.664 ( 7.383 0.000 0.000) 7.383 10.936 ( 1.155 0.000 0.000) 1.155 10.937 ( 5.013 0.000 0.000) 5.013 11.084 ( 4.036 0.000 0.000) 4.036 11.327 ( -4.343 0.000 0.000) 4.343 11.416 ( 0.631 0.000 0.000) 0.631 11.418 ( 3.370 0.000 0.000) 3.370 11.680 ( 3.020 0.000 0.000) 3.020 11.826 ( -5.053 0.000 0.000) 5.053 11.833 ( -17.613 0.000 0.000) 17.613 11.882 ( -7.418 0.000 0.000) 7.418 11.970 ( -3.707 0.000 0.000) 3.707 12.023 ( -18.262 0.000 0.000) 18.262 12.231 ( 12.272 0.000 0.000) 12.272 12.377 ( -5.719 0.000 0.000) 5.719 12.412 ( 6.753 0.000 0.000) 6.753 12.571 ( 4.712 0.000 0.000) 4.712 13.161 ( -4.920 0.000 0.000) 4.920 13.557 ( 35.424 0.000 0.000) 35.424 13.659 ( -22.085 0.000 0.000) 22.085 13.869 ( -6.777 0.000 0.000) 6.777 14.664 ( -4.079 0.000 0.000) 4.079 14.715 ( 1.306 0.000 0.000) 1.306 15.048 ( -14.159 0.000 0.000) 14.159 15.120 ( 20.431 0.000 0.000) 20.431 15.152 ( -4.403 0.000 0.000) 4.403 15.735 ( 32.609 0.000 0.000) 32.609 15.857 ( 18.806 0.000 0.000) 18.806 16.094 ( -12.315 0.000 0.000) 12.315 16.163 ( -19.360 0.000 0.000) 19.360 16.706 ( -4.459 0.000 0.000) 4.459 16.777 ( 5.080 0.000 0.000) 5.080 16.854 ( 9.730 0.000 0.000) 9.730 17.327 ( 1.629 0.000 0.000) 1.629 17.337 ( -5.511 0.000 0.000) 5.511 17.355 ( -4.483 0.000 0.000) 4.483 17.382 ( 15.091 0.000 0.000) 15.091 17.651 ( -8.258 0.000 0.000) 8.258 17.734 ( -7.720 0.000 0.000) 7.720 17.746 ( -13.303 0.000 0.000) 13.303 17.897 ( -21.738 0.000 0.000) 21.738 17.917 ( -7.017 0.000 0.000) 7.017 18.065 ( -9.140 0.000 0.000) 9.140 18.711 ( 11.812 0.000 0.000) 11.812 18.743 ( 12.657 0.000 0.000) 12.657 18.767 ( 0.150 0.000 0.000) 0.150 18.821 ( -1.278 0.000 0.000) 1.278 18.893 ( -19.213 0.000 0.000) 19.213 19.380 ( 13.808 0.000 0.000) 13.808 20.021 ( -11.869 0.000 0.000) 11.869 20.344 ( 4.119 0.000 0.000) 4.119 20.432 ( -0.022 0.000 0.000) 0.022 20.504 ( -4.878 0.000 0.000) 4.878 20.622 ( 2.354 0.000 0.000) 2.354 20.628 ( -1.758 0.000 0.000) 1.758 20.741 ( -1.074 0.000 0.000) 1.074 20.745 ( -0.129 0.000 0.000) 0.129 20.881 ( 2.070 0.000 0.000) 2.070 21.005 ( 5.459 0.000 0.000) 5.459 21.040 ( 2.106 0.000 0.000) 2.106 21.185 ( -5.470 0.000 0.000) 5.470 21.317 ( 8.504 0.000 0.000) 8.504 21.322 ( 3.349 0.000 0.000) 3.349 21.411 ( -9.204 0.000 0.000) 9.204 21.746 ( -5.183 0.000 0.000) 5.183 21.803 ( -3.555 0.000 0.000) 3.555 21.868 ( 21.386 0.000 0.000) 21.386 21.963 ( -4.594 0.000 0.000) 4.594 21.988 ( 3.403 0.000 0.000) 3.403 22.237 ( -4.182 0.000 0.000) 4.182 22.243 ( -8.536 0.000 0.000) 8.536 22.394 ( 1.165 0.000 0.000) 1.165 22.599 ( 6.919 0.000 0.000) 6.919 22.645 ( 4.386 0.000 0.000) 4.386 22.843 ( 2.059 0.000 0.000) 2.059 23.073 ( 5.647 0.000 0.000) 5.647 23.076 ( 2.343 0.000 0.000) 2.343 23.089 ( 1.752 0.000 0.000) 1.752 23.157 ( 2.089 0.000 0.000) 2.089 23.169 ( 0.811 0.000 0.000) 0.811 23.272 ( -4.170 0.000 0.000) 4.170 23.310 ( -2.715 0.000 0.000) 2.715 23.393 ( -0.842 0.000 0.000) 0.842 23.401 ( -0.424 0.000 0.000) 0.424 23.437 ( 1.804 0.000 0.000) 1.804 23.724 ( 3.132 0.000 0.000) 3.132 23.732 ( 2.342 0.000 0.000) 2.342 23.842 ( 8.302 0.000 0.000) 8.302 23.990 ( -1.828 0.000 0.000) 1.828 24.147 ( -8.737 0.000 0.000) 8.737 24.447 ( -2.011 0.000 0.000) 2.011 24.491 ( -0.062 0.000 0.000) 0.062 24.566 ( -7.954 0.000 0.000) 7.954 24.847 ( -6.823 0.000 0.000) 6.823 24.883 ( 4.747 0.000 0.000) 4.747 24.922 ( -1.968 0.000 0.000) 1.968 25.154 ( -14.080 0.000 0.000) 14.080 25.432 ( -20.647 0.000 0.000) 20.647 25.792 ( 19.407 0.000 0.000) 19.407 26.289 ( 1.366 0.000 0.000) 1.366 26.505 ( 10.286 0.000 0.000) 10.286 27.024 ( 3.278 0.000 0.000) 3.278 27.038 ( 7.964 0.000 0.000) 7.964 27.060 ( 3.625 0.000 0.000) 3.625 27.325 ( -1.251 0.000 0.000) 1.251 27.743 ( -10.003 0.000 0.000) 10.003 29.818 ( 9.462 0.000 0.000) 9.462 30.512 ( 7.511 0.000 0.000) 7.511 30.630 ( -0.097 0.000 0.000) 0.097 30.790 ( 7.017 0.000 0.000) 7.017 30.877 ( -11.359 0.000 0.000) 11.359 30.952 ( -2.682 0.000 0.000) 2.682 31.218 ( -3.624 0.000 0.000) 3.624 31.265 ( 2.446 0.000 0.000) 2.446 31.316 ( -3.216 0.000 0.000) 3.216 31.466 ( 5.580 0.000 0.000) 5.580 31.517 ( -0.406 0.000 0.000) 0.406 31.691 ( 1.149 0.000 0.000) 1.149 35.970 ( 2.102 0.000 0.000) 2.102 36.351 ( 0.112 0.000 0.000) 0.112 36.545 ( -4.509 0.000 0.000) 4.509 36.571 ( -2.707 0.000 0.000) 2.707 36.588 ( 16.987 0.000 0.000) 16.987 37.915 ( 9.702 0.000 0.000) 9.702 38.092 ( -9.170 0.000 0.000) 9.170 38.925 ( -6.079 0.000 0.000) 6.079 39.471 ( 7.077 0.000 0.000) 7.077 39.775 ( 2.121 0.000 0.000) 2.121 40.171 ( -4.460 0.000 0.000) 4.460 40.187 ( -9.665 0.000 0.000) 9.665 40.583 ( 2.712 0.000 0.000) 2.712 40.637 ( 3.495 0.000 0.000) 3.495 40.769 ( 14.756 0.000 0.000) 14.756 41.056 ( -2.956 0.000 0.000) 2.956 41.161 ( -5.083 0.000 0.000) 5.083 41.646 ( 2.983 0.000 0.000) 2.983 42.061 ( -3.742 0.000 0.000) 3.742 42.289 ( -16.975 0.000 0.000) 16.975 42.584 ( 2.370 0.000 0.000) 2.370 42.778 ( 3.427 0.000 0.000) 3.427 43.481 ( 1.045 0.000 0.000) 1.045 44.132 ( -10.993 0.000 0.000) 10.993 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 18.295 0.000 0.000) 18.295 1.527 ( 12.764 0.000 0.000) 12.764 1.540 ( 12.915 0.000 0.000) 12.915 1.688 ( 2.151 0.000 0.000) 2.151 1.759 ( -2.088 0.000 0.000) 2.088 1.768 ( -2.507 0.000 0.000) 2.507 1.913 ( 3.730 0.000 0.000) 3.730 2.008 ( 2.816 0.000 0.000) 2.816 2.120 ( 10.742 0.000 0.000) 10.742 2.257 ( 7.174 0.000 0.000) 7.174 2.353 ( 5.215 0.000 0.000) 5.215 2.534 ( -3.555 0.000 0.000) 3.555 2.633 ( 16.733 0.000 0.000) 16.733 2.940 ( 29.857 0.000 0.000) 29.857 2.956 ( 10.980 0.000 0.000) 10.980 3.114 ( 14.316 0.000 0.000) 14.316 3.253 ( 16.659 0.000 0.000) 16.659 3.616 ( -13.048 0.000 0.000) 13.048 3.929 ( -13.285 0.000 0.000) 13.285 3.950 ( -12.463 0.000 0.000) 12.463 4.409 ( -17.001 0.000 0.000) 17.001 4.440 ( 53.283 0.000 0.000) 53.283 4.457 ( -28.329 0.000 0.000) 28.329 5.059 ( 25.855 0.000 0.000) 25.855 5.252 ( 7.355 0.000 0.000) 7.355 5.280 ( 6.641 0.000 0.000) 6.641 5.294 ( 10.201 0.000 0.000) 10.201 5.429 ( 4.998 0.000 0.000) 4.998 5.485 ( 18.253 0.000 0.000) 18.253 5.689 ( -20.488 0.000 0.000) 20.488 5.837 ( -10.073 0.000 0.000) 10.073 5.926 ( -15.829 0.000 0.000) 15.829 6.039 ( -24.476 0.000 0.000) 24.476 6.222 ( 1.016 0.000 0.000) 1.016 6.249 ( -12.729 0.000 0.000) 12.729 6.250 ( -16.968 0.000 0.000) 16.968 6.639 ( -7.597 0.000 0.000) 7.597 6.668 ( 12.112 0.000 0.000) 12.112 7.020 ( 1.410 0.000 0.000) 1.410 7.123 ( 1.877 0.000 0.000) 1.877 7.264 ( -1.008 0.000 0.000) 1.008 7.277 ( -26.572 0.000 0.000) 26.572 7.429 ( 11.450 0.000 0.000) 11.450 7.505 ( -2.254 0.000 0.000) 2.254 7.560 ( 1.474 0.000 0.000) 1.474 7.840 ( 14.690 0.000 0.000) 14.690 7.984 ( -12.789 0.000 0.000) 12.789 8.301 ( -16.223 0.000 0.000) 16.223 8.336 ( 7.080 0.000 0.000) 7.080 8.420 ( -3.351 0.000 0.000) 3.351 9.046 ( 27.234 0.000 0.000) 27.234 9.083 ( 1.040 0.000 0.000) 1.040 9.112 ( -7.663 0.000 0.000) 7.663 9.474 ( -18.617 0.000 0.000) 18.617 9.505 ( -4.393 0.000 0.000) 4.393 9.526 ( -7.768 0.000 0.000) 7.768 9.757 ( 6.477 0.000 0.000) 6.477 10.016 ( 21.307 0.000 0.000) 21.307 10.478 ( -4.329 0.000 0.000) 4.329 10.581 ( 11.447 0.000 0.000) 11.447 10.648 ( 13.464 0.000 0.000) 13.464 10.835 ( 8.427 0.000 0.000) 8.427 10.922 ( 14.367 0.000 0.000) 14.367 10.965 ( 2.678 0.000 0.000) 2.678 11.034 ( 3.868 0.000 0.000) 3.868 11.138 ( 1.229 0.000 0.000) 1.229 11.229 ( -10.007 0.000 0.000) 10.007 11.237 ( -4.087 0.000 0.000) 4.087 11.375 ( -21.823 0.000 0.000) 21.823 11.442 ( 1.813 0.000 0.000) 1.813 11.649 ( -15.465 0.000 0.000) 15.465 11.709 ( -13.898 0.000 0.000) 13.898 11.767 ( 1.276 0.000 0.000) 1.276 11.909 ( -1.677 0.000 0.000) 1.677 12.004 ( 18.801 0.000 0.000) 18.801 12.148 ( -14.201 0.000 0.000) 14.201 12.257 ( -11.988 0.000 0.000) 11.988 12.615 ( 13.579 0.000 0.000) 13.579 12.881 ( -22.038 0.000 0.000) 22.038 12.897 ( 29.186 0.000 0.000) 29.186 13.259 ( -18.066 0.000 0.000) 18.066 13.748 ( -8.016 0.000 0.000) 8.016 14.342 ( 36.537 0.000 0.000) 36.537 14.604 ( 2.542 0.000 0.000) 2.542 14.762 ( -13.354 0.000 0.000) 13.354 14.932 ( 18.776 0.000 0.000) 18.776 15.115 ( -0.584 0.000 0.000) 0.584 15.650 ( 31.789 0.000 0.000) 31.789 15.784 ( -18.934 0.000 0.000) 18.934 15.829 ( -12.509 0.000 0.000) 12.509 16.051 ( -3.652 0.000 0.000) 3.652 16.216 ( 16.890 0.000 0.000) 16.890 16.546 ( -11.636 0.000 0.000) 11.636 16.897 ( 6.780 0.000 0.000) 6.780 17.136 ( -22.942 0.000 0.000) 22.942 17.149 ( 18.356 0.000 0.000) 18.356 17.243 ( -5.189 0.000 0.000) 5.189 17.379 ( -12.738 0.000 0.000) 12.738 17.450 ( -6.791 0.000 0.000) 6.791 17.476 ( 14.556 0.000 0.000) 14.556 17.525 ( -1.477 0.000 0.000) 1.477 17.564 ( -7.886 0.000 0.000) 7.886 17.661 ( -4.907 0.000 0.000) 4.907 17.796 ( -15.485 0.000 0.000) 15.485 17.818 ( -3.991 0.000 0.000) 3.991 18.366 ( -25.579 0.000 0.000) 25.579 18.774 ( 2.406 0.000 0.000) 2.406 18.914 ( 3.577 0.000 0.000) 3.577 18.963 ( 11.878 0.000 0.000) 11.878 18.995 ( 9.606 0.000 0.000) 9.606 19.630 ( 10.134 0.000 0.000) 10.134 19.841 ( -5.897 0.000 0.000) 5.897 20.420 ( 3.812 0.000 0.000) 3.812 20.428 ( -0.629 0.000 0.000) 0.629 20.433 ( -2.555 0.000 0.000) 2.555 20.572 ( -3.692 0.000 0.000) 3.692 20.697 ( 5.440 0.000 0.000) 5.440 20.722 ( -1.279 0.000 0.000) 1.279 20.723 ( -0.861 0.000 0.000) 0.861 20.893 ( 0.021 0.000 0.000) 0.021 21.036 ( -4.485 0.000 0.000) 4.485 21.052 ( -6.863 0.000 0.000) 6.863 21.198 ( 7.906 0.000 0.000) 7.906 21.227 ( -1.564 0.000 0.000) 1.564 21.419 ( -0.014 0.000 0.000) 0.014 21.430 ( 7.375 0.000 0.000) 7.375 21.594 ( -9.819 0.000 0.000) 9.819 21.762 ( 0.349 0.000 0.000) 0.349 21.840 ( -13.229 0.000 0.000) 13.229 21.880 ( -3.883 0.000 0.000) 3.883 22.045 ( 2.160 0.000 0.000) 2.160 22.122 ( -3.855 0.000 0.000) 3.855 22.471 ( 6.302 0.000 0.000) 6.302 22.543 ( 21.486 0.000 0.000) 21.486 22.700 ( 2.393 0.000 0.000) 2.393 22.728 ( 6.678 0.000 0.000) 6.678 22.897 ( 2.353 0.000 0.000) 2.353 23.083 ( -3.841 0.000 0.000) 3.841 23.085 ( -4.042 0.000 0.000) 4.042 23.129 ( -2.720 0.000 0.000) 2.720 23.177 ( 7.904 0.000 0.000) 7.904 23.211 ( 3.601 0.000 0.000) 3.601 23.249 ( 4.664 0.000 0.000) 4.664 23.369 ( -2.888 0.000 0.000) 2.888 23.412 ( 6.118 0.000 0.000) 6.118 23.418 ( 2.592 0.000 0.000) 2.592 23.470 ( 1.457 0.000 0.000) 1.457 23.710 ( -14.566 0.000 0.000) 14.566 23.761 ( 3.870 0.000 0.000) 3.870 23.819 ( 6.694 0.000 0.000) 6.694 24.014 ( 2.742 0.000 0.000) 2.742 24.228 ( 10.065 0.000 0.000) 10.065 24.405 ( -6.786 0.000 0.000) 6.786 24.408 ( -1.723 0.000 0.000) 1.723 24.468 ( -2.941 0.000 0.000) 2.941 24.650 ( -32.156 0.000 0.000) 32.156 24.733 ( -3.692 0.000 0.000) 3.692 24.852 ( -5.205 0.000 0.000) 5.205 24.964 ( 3.493 0.000 0.000) 3.493 25.156 ( -8.787 0.000 0.000) 8.787 26.125 ( 12.921 0.000 0.000) 12.921 26.314 ( 0.605 0.000 0.000) 0.605 26.773 ( 16.199 0.000 0.000) 16.199 27.109 ( 4.993 0.000 0.000) 4.993 27.146 ( 4.687 0.000 0.000) 4.687 27.154 ( 2.803 0.000 0.000) 2.803 27.289 ( -2.417 0.000 0.000) 2.417 27.485 ( -15.482 0.000 0.000) 15.482 30.047 ( 13.258 0.000 0.000) 13.258 30.616 ( -14.612 0.000 0.000) 14.612 30.671 ( 3.985 0.000 0.000) 3.985 30.705 ( 11.444 0.000 0.000) 11.444 30.877 ( -4.881 0.000 0.000) 4.881 30.939 ( 7.976 0.000 0.000) 7.976 31.109 ( -7.456 0.000 0.000) 7.456 31.226 ( -5.863 0.000 0.000) 5.863 31.332 ( 4.073 0.000 0.000) 4.073 31.471 ( -2.394 0.000 0.000) 2.394 31.596 ( 5.300 0.000 0.000) 5.300 31.705 ( -0.135 0.000 0.000) 0.135 36.066 ( 7.467 0.000 0.000) 7.467 36.367 ( 1.722 0.000 0.000) 1.722 36.419 ( -8.156 0.000 0.000) 8.156 36.501 ( -4.168 0.000 0.000) 4.168 36.993 ( 22.974 0.000 0.000) 22.974 37.833 ( -17.050 0.000 0.000) 17.050 38.168 ( 15.288 0.000 0.000) 15.288 38.749 ( -11.728 0.000 0.000) 11.728 39.652 ( 10.648 0.000 0.000) 10.648 39.832 ( 3.587 0.000 0.000) 3.587 40.025 ( -6.852 0.000 0.000) 6.852 40.047 ( -8.074 0.000 0.000) 8.074 40.661 ( 5.257 0.000 0.000) 5.257 40.735 ( 6.335 0.000 0.000) 6.335 40.906 ( -4.543 0.000 0.000) 4.543 41.032 ( -7.655 0.000 0.000) 7.655 41.150 ( 16.383 0.000 0.000) 16.383 41.725 ( 5.008 0.000 0.000) 5.008 41.916 ( -20.338 0.000 0.000) 20.338 41.962 ( -6.076 0.000 0.000) 6.076 42.649 ( 4.064 0.000 0.000) 4.064 42.793 ( -1.606 0.000 0.000) 1.606 43.525 ( 3.961 0.000 0.000) 3.961 43.878 ( -13.446 0.000 0.000) 13.446 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -1.321 0.000 0.000) 1.321 1.680 ( 1.321 0.000 0.000) 1.321 1.698 ( -5.049 0.000 0.000) 5.049 1.698 ( 5.049 0.000 0.000) 5.049 1.703 ( -1.424 0.000 0.000) 1.424 1.703 ( 1.424 0.000 0.000) 1.424 1.989 ( -3.452 0.000 0.000) 3.452 1.989 ( 3.452 0.000 0.000) 3.452 2.277 ( -4.831 0.000 0.000) 4.831 2.277 ( 4.831 0.000 0.000) 4.831 2.454 ( -4.788 0.000 0.000) 4.788 2.454 ( 4.788 0.000 0.000) 4.788 3.004 ( -22.899 0.000 0.000) 22.899 3.004 ( 22.899 0.000 0.000) 22.899 3.253 ( -8.747 0.000 0.000) 8.747 3.253 ( 8.747 0.000 0.000) 8.747 3.691 ( -31.487 0.000 0.000) 31.487 3.691 ( 31.487 0.000 0.000) 31.487 3.725 ( -0.725 0.000 0.000) 0.725 3.725 ( 0.725 0.000 0.000) 0.725 3.995 ( -16.289 0.000 0.000) 16.289 3.995 ( 16.289 0.000 0.000) 16.289 5.166 ( -23.320 0.000 0.000) 23.320 5.166 ( 23.320 0.000 0.000) 23.320 5.400 ( -5.156 0.000 0.000) 5.156 5.400 ( 5.156 0.000 0.000) 5.156 5.505 ( -0.110 0.000 0.000) 0.110 5.505 ( 0.110 0.000 0.000) 0.110 5.561 ( -21.085 0.000 0.000) 21.085 5.561 ( 21.085 0.000 0.000) 21.085 5.672 ( -1.429 0.000 0.000) 1.429 5.672 ( 1.429 0.000 0.000) 1.429 6.094 ( -1.467 0.000 0.000) 1.467 6.094 ( 1.467 0.000 0.000) 1.467 6.147 ( -28.155 0.000 0.000) 28.155 6.147 ( 28.155 0.000 0.000) 28.155 6.603 ( -16.396 0.000 0.000) 16.396 6.603 ( 16.396 0.000 0.000) 16.396 6.996 ( -19.680 0.000 0.000) 19.680 6.996 ( 19.680 0.000 0.000) 19.680 7.072 ( -3.041 0.000 0.000) 3.041 7.072 ( 3.041 0.000 0.000) 3.041 7.540 ( -3.073 0.000 0.000) 3.073 7.540 ( 3.073 0.000 0.000) 3.073 7.715 ( -15.127 0.000 0.000) 15.127 7.715 ( 15.127 0.000 0.000) 15.127 8.084 ( -9.497 0.000 0.000) 9.497 8.084 ( 9.497 0.000 0.000) 9.497 8.420 ( -0.762 0.000 0.000) 0.762 8.420 ( 0.762 0.000 0.000) 0.762 9.031 ( -1.437 0.000 0.000) 1.437 9.031 ( 1.437 0.000 0.000) 1.437 9.386 ( -5.272 0.000 0.000) 5.272 9.386 ( 5.272 0.000 0.000) 5.272 9.400 ( -8.165 0.000 0.000) 8.165 9.400 ( 8.165 0.000 0.000) 8.165 10.109 ( -26.992 0.000 0.000) 26.992 10.109 ( 26.993 0.000 0.000) 26.993 10.455 ( -20.939 0.000 0.000) 20.939 10.455 ( 20.939 0.000 0.000) 20.939 10.869 ( -6.990 0.000 0.000) 6.990 10.869 ( 6.990 0.000 0.000) 6.990 11.069 ( -0.934 0.000 0.000) 0.934 11.069 ( 0.934 0.000 0.000) 0.934 11.094 ( -3.978 0.000 0.000) 3.978 11.094 ( 3.978 0.000 0.000) 3.978 11.174 ( -2.401 0.000 0.000) 2.401 11.174 ( 2.401 0.000 0.000) 2.401 11.290 ( -14.417 0.000 0.000) 14.417 11.290 ( 14.417 0.000 0.000) 14.417 11.529 ( -4.414 0.000 0.000) 4.414 11.529 ( 4.414 0.000 0.000) 4.414 11.941 ( -5.880 0.000 0.000) 5.880 11.941 ( 5.880 0.000 0.000) 5.880 11.947 ( -15.988 0.000 0.000) 15.988 11.947 ( 15.988 0.000 0.000) 15.988 12.414 ( -23.459 0.000 0.000) 23.459 12.414 ( 23.459 0.000 0.000) 23.459 12.920 ( -16.907 0.000 0.000) 16.907 12.920 ( 16.907 0.000 0.000) 16.907 13.448 ( -23.360 0.000 0.000) 23.360 13.448 ( 23.360 0.000 0.000) 23.360 14.567 ( -5.800 0.000 0.000) 5.800 14.567 ( 5.800 0.000 0.000) 5.800 15.022 ( -15.593 0.000 0.000) 15.593 15.022 ( 15.593 0.000 0.000) 15.593 15.364 ( -23.254 0.000 0.000) 23.254 15.364 ( 23.254 0.000 0.000) 23.254 15.791 ( -11.900 0.000 0.000) 11.900 15.791 ( 11.900 0.000 0.000) 11.900 16.238 ( -22.820 0.000 0.000) 22.820 16.238 ( 22.820 0.000 0.000) 22.820 16.574 ( -25.874 0.000 0.000) 25.874 16.574 ( 25.874 0.000 0.000) 25.874 17.044 ( -8.931 0.000 0.000) 8.931 17.044 ( 8.931 0.000 0.000) 8.931 17.427 ( -1.143 0.000 0.000) 1.143 17.427 ( 1.143 0.000 0.000) 1.143 17.439 ( -6.598 0.000 0.000) 6.598 17.439 ( 6.598 0.000 0.000) 6.598 17.497 ( -13.684 0.000 0.000) 13.684 17.497 ( 13.684 0.000 0.000) 13.684 17.676 ( -7.317 0.000 0.000) 7.317 17.676 ( 7.317 0.000 0.000) 7.317 17.885 ( -23.780 0.000 0.000) 23.780 17.885 ( 23.780 0.000 0.000) 23.780 18.879 ( -5.999 0.000 0.000) 5.999 18.879 ( 5.999 0.000 0.000) 5.999 19.101 ( -0.768 0.000 0.000) 0.768 19.101 ( 0.768 0.000 0.000) 0.768 19.760 ( -3.907 0.000 0.000) 3.907 19.760 ( 3.907 0.000 0.000) 3.907 20.411 ( -0.416 0.000 0.000) 0.416 20.411 ( 0.416 0.000 0.000) 0.416 20.495 ( -3.947 0.000 0.000) 3.947 20.495 ( 3.947 0.000 0.000) 3.947 20.711 ( -0.144 0.000 0.000) 0.144 20.711 ( 0.144 0.000 0.000) 0.144 20.843 ( -9.752 0.000 0.000) 9.752 20.843 ( 9.752 0.000 0.000) 9.752 20.933 ( -4.462 0.000 0.000) 4.462 20.933 ( 4.462 0.000 0.000) 4.462 21.331 ( -7.148 0.000 0.000) 7.148 21.331 ( 7.148 0.000 0.000) 7.148 21.388 ( -10.630 0.000 0.000) 10.630 21.388 ( 10.630 0.000 0.000) 10.630 21.602 ( -10.331 0.000 0.000) 10.331 21.602 ( 10.331 0.000 0.000) 10.331 21.808 ( -3.423 0.000 0.000) 3.423 21.808 ( 3.423 0.000 0.000) 3.423 22.076 ( -1.455 0.000 0.000) 1.455 22.076 ( 1.455 0.000 0.000) 1.455 22.597 ( -5.450 0.000 0.000) 5.450 22.597 ( 5.450 0.000 0.000) 5.450 22.861 ( -6.114 0.000 0.000) 6.114 22.861 ( 6.114 0.000 0.000) 6.114 22.964 ( -13.749 0.000 0.000) 13.749 22.964 ( 13.749 0.000 0.000) 13.749 23.039 ( -0.717 0.000 0.000) 0.717 23.039 ( 0.717 0.000 0.000) 0.717 23.290 ( -3.689 0.000 0.000) 3.689 23.290 ( 3.689 0.000 0.000) 3.689 23.356 ( -7.695 0.000 0.000) 7.695 23.356 ( 7.695 0.000 0.000) 7.695 23.431 ( -12.324 0.000 0.000) 12.324 23.431 ( 12.324 0.000 0.000) 12.324 23.482 ( -0.526 0.000 0.000) 0.526 23.482 ( 0.526 0.000 0.000) 0.526 23.970 ( -7.249 0.000 0.000) 7.249 23.970 ( 7.249 0.000 0.000) 7.249 24.058 ( -25.290 0.000 0.000) 25.290 24.058 ( 25.290 0.000 0.000) 25.290 24.367 ( -3.570 0.000 0.000) 3.570 24.367 ( 3.570 0.000 0.000) 3.570 24.387 ( -4.308 0.000 0.000) 4.308 24.387 ( 4.308 0.000 0.000) 4.308 24.742 ( -4.515 0.000 0.000) 4.515 24.742 ( 4.515 0.000 0.000) 4.515 25.034 ( -4.223 0.000 0.000) 4.223 25.034 ( 4.223 0.000 0.000) 4.223 26.287 ( -4.116 0.000 0.000) 4.116 26.287 ( 4.116 0.000 0.000) 4.116 27.089 ( -12.940 0.000 0.000) 12.940 27.089 ( 12.940 0.000 0.000) 12.940 27.215 ( -7.631 0.000 0.000) 7.631 27.215 ( 7.631 0.000 0.000) 7.631 27.230 ( -3.696 0.000 0.000) 3.696 27.230 ( 3.696 0.000 0.000) 3.696 30.324 ( -14.840 0.000 0.000) 14.840 30.324 ( 14.840 0.000 0.000) 14.840 30.770 ( -5.694 0.000 0.000) 5.694 30.770 ( 5.694 0.000 0.000) 5.694 30.929 ( -10.770 0.000 0.000) 10.770 30.929 ( 10.770 0.000 0.000) 10.770 31.093 ( -7.527 0.000 0.000) 7.527 31.093 ( 7.527 0.000 0.000) 7.527 31.411 ( -3.729 0.000 0.000) 3.729 31.411 ( 3.729 0.000 0.000) 3.729 31.677 ( -2.820 0.000 0.000) 2.820 31.677 ( 2.820 0.000 0.000) 2.820 36.240 ( -9.627 0.000 0.000) 9.627 36.240 ( 9.627 0.000 0.000) 9.627 36.421 ( -3.671 0.000 0.000) 3.671 36.421 ( 3.671 0.000 0.000) 3.671 37.443 ( -22.173 0.000 0.000) 22.173 37.443 ( 22.173 0.000 0.000) 22.173 38.477 ( -15.520 0.000 0.000) 15.520 38.477 ( 15.520 0.000 0.000) 15.520 39.863 ( -10.451 0.000 0.000) 10.451 39.863 ( 10.451 0.000 0.000) 10.451 39.913 ( -4.778 0.000 0.000) 4.778 39.913 ( 4.778 0.000 0.000) 4.778 40.782 ( -6.799 0.000 0.000) 6.799 40.782 ( 6.799 0.000 0.000) 6.799 40.877 ( -7.918 0.000 0.000) 7.918 40.877 ( 7.918 0.000 0.000) 7.918 41.517 ( -20.007 0.000 0.000) 20.007 41.517 ( 20.007 0.000 0.000) 20.007 41.837 ( -6.326 0.000 0.000) 6.326 41.837 ( 6.326 0.000 0.000) 6.326 42.732 ( -4.140 0.000 0.000) 4.140 42.732 ( 4.140 0.000 0.000) 4.140 43.651 ( -9.114 0.000 0.000) 9.114 43.651 ( 9.114 0.000 0.000) 9.114 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 36.941 0.000) 36.941 1.002 ( 0.000 46.181 0.000) 46.181 1.381 ( 0.000 34.970 0.000) 34.970 1.573 ( 0.000 33.292 0.000) 33.292 1.697 ( 0.000 -10.173 0.000) 10.173 1.734 ( 0.000 6.299 0.000) 6.299 1.828 ( 0.000 0.878 0.000) 0.878 1.848 ( 0.000 -0.221 0.000) 0.221 1.982 ( 0.000 6.964 0.000) 6.964 2.105 ( 0.000 1.804 0.000) 1.804 2.209 ( 0.000 -1.315 0.000) 1.315 2.380 ( 0.000 -13.793 0.000) 13.793 2.553 ( 0.000 -0.440 0.000) 0.440 2.553 ( 0.000 -2.495 0.000) 2.495 2.748 ( 0.000 4.484 0.000) 4.484 2.856 ( 0.000 -2.029 0.000) 2.029 2.890 ( 0.000 0.506 0.000) 0.506 3.010 ( 0.000 -0.219 0.000) 0.219 3.730 ( 0.000 -31.849 0.000) 31.849 4.122 ( 0.000 -17.380 0.000) 17.380 4.123 ( 0.000 2.937 0.000) 2.937 4.220 ( 0.000 -1.371 0.000) 1.371 4.609 ( 0.000 -10.582 0.000) 10.582 4.993 ( 0.000 3.598 0.000) 3.598 4.996 ( 0.000 -21.995 0.000) 21.995 5.104 ( 0.000 -1.027 0.000) 1.027 5.297 ( 0.000 12.230 0.000) 12.230 5.454 ( 0.000 23.630 0.000) 23.630 5.817 ( 0.000 -8.672 0.000) 8.672 6.040 ( 0.000 3.299 0.000) 3.299 6.090 ( 0.000 -5.877 0.000) 5.877 6.115 ( 0.000 37.081 0.000) 37.081 6.327 ( 0.000 -10.978 0.000) 10.978 6.467 ( 0.000 -5.931 0.000) 5.931 6.496 ( 0.000 2.216 0.000) 2.216 6.508 ( 0.000 0.987 0.000) 0.987 6.731 ( 0.000 -9.249 0.000) 9.249 7.021 ( 0.000 -0.364 0.000) 0.364 7.085 ( 0.000 -3.280 0.000) 3.280 7.098 ( 0.000 1.032 0.000) 1.032 7.192 ( 0.000 -1.476 0.000) 1.476 7.280 ( 0.000 7.232 0.000) 7.232 7.288 ( 0.000 2.192 0.000) 2.192 7.308 ( 0.000 -5.736 0.000) 5.736 7.318 ( 0.000 2.236 0.000) 2.236 7.712 ( 0.000 -10.893 0.000) 10.893 7.929 ( 0.000 -12.271 0.000) 12.271 7.965 ( 0.000 -5.659 0.000) 5.659 8.626 ( 0.000 24.279 0.000) 24.279 8.747 ( 0.000 0.842 0.000) 0.842 8.947 ( 0.000 -10.455 0.000) 10.455 9.212 ( 0.000 3.136 0.000) 3.136 9.389 ( 0.000 -5.474 0.000) 5.474 9.424 ( 0.000 2.806 0.000) 2.806 9.464 ( 0.000 5.720 0.000) 5.720 9.737 ( 0.000 -21.055 0.000) 21.055 9.769 ( 0.000 1.804 0.000) 1.804 9.980 ( 0.000 16.220 0.000) 16.220 10.162 ( 0.000 -14.997 0.000) 14.997 10.412 ( 0.000 2.552 0.000) 2.552 10.512 ( 0.000 -1.855 0.000) 1.855 10.515 ( 0.000 4.166 0.000) 4.166 10.644 ( 0.000 18.875 0.000) 18.875 10.769 ( 0.000 -5.009 0.000) 5.009 10.777 ( 0.000 -10.219 0.000) 10.219 11.143 ( 0.000 15.042 0.000) 15.042 11.373 ( 0.000 -4.670 0.000) 4.670 11.398 ( 0.000 18.998 0.000) 18.998 11.517 ( 0.000 3.538 0.000) 3.538 11.759 ( 0.000 -12.055 0.000) 12.055 11.900 ( 0.000 -12.927 0.000) 12.927 11.988 ( 0.000 16.006 0.000) 16.006 12.037 ( 0.000 1.167 0.000) 1.167 12.045 ( 0.000 12.288 0.000) 12.288 12.053 ( 0.000 -1.575 0.000) 1.575 12.247 ( 0.000 -18.361 0.000) 18.361 12.248 ( 0.000 -7.773 0.000) 7.773 12.384 ( 0.000 3.537 0.000) 3.537 12.409 ( 0.000 5.981 0.000) 5.981 13.079 ( 0.000 -18.357 0.000) 18.357 13.326 ( 0.000 15.294 0.000) 15.294 13.980 ( 0.000 -0.312 0.000) 0.312 14.129 ( 0.000 16.389 0.000) 16.389 14.689 ( 0.000 -6.148 0.000) 6.148 14.748 ( 0.000 -5.421 0.000) 5.421 14.823 ( 0.000 -6.836 0.000) 6.836 14.959 ( 0.000 -19.993 0.000) 19.993 15.064 ( 0.000 -8.814 0.000) 8.814 15.431 ( 0.000 3.917 0.000) 3.917 15.507 ( 0.000 -0.983 0.000) 0.983 16.263 ( 0.000 14.919 0.000) 14.919 16.615 ( 0.000 14.256 0.000) 14.256 16.755 ( 0.000 3.234 0.000) 3.234 16.778 ( 0.000 1.293 0.000) 1.293 16.823 ( 0.000 2.402 0.000) 2.402 16.996 ( 0.000 -9.588 0.000) 9.588 17.391 ( 0.000 -0.437 0.000) 0.437 17.436 ( 0.000 4.637 0.000) 4.637 17.526 ( 0.000 11.887 0.000) 11.887 17.659 ( 0.000 -22.827 0.000) 22.827 17.673 ( 0.000 -4.458 0.000) 4.458 17.787 ( 0.000 -3.131 0.000) 3.131 18.089 ( 0.000 8.938 0.000) 8.938 18.107 ( 0.000 -0.804 0.000) 0.804 18.458 ( 0.000 -9.909 0.000) 9.909 18.468 ( 0.000 14.684 0.000) 14.684 18.505 ( 0.000 -7.458 0.000) 7.458 18.920 ( 0.000 17.028 0.000) 17.028 18.925 ( 0.000 -12.872 0.000) 12.872 19.042 ( 0.000 16.598 0.000) 16.598 19.335 ( 0.000 2.868 0.000) 2.868 19.977 ( 0.000 -27.189 0.000) 27.189 20.155 ( 0.000 7.725 0.000) 7.725 20.261 ( 0.000 1.578 0.000) 1.578 20.369 ( 0.000 -5.083 0.000) 5.083 20.494 ( 0.000 -8.843 0.000) 8.843 20.530 ( 0.000 2.012 0.000) 2.012 20.721 ( 0.000 -4.060 0.000) 4.060 20.899 ( 0.000 11.082 0.000) 11.082 20.907 ( 0.000 3.697 0.000) 3.697 20.957 ( 0.000 1.962 0.000) 1.962 21.004 ( 0.000 -1.668 0.000) 1.668 21.116 ( 0.000 -7.550 0.000) 7.550 21.187 ( 0.000 -1.402 0.000) 1.402 21.466 ( 0.000 12.789 0.000) 12.789 21.488 ( 0.000 1.045 0.000) 1.045 21.595 ( 0.000 7.409 0.000) 7.409 21.673 ( 0.000 -5.835 0.000) 5.835 21.770 ( 0.000 -3.211 0.000) 3.211 21.859 ( 0.000 0.481 0.000) 0.481 21.892 ( 0.000 -2.493 0.000) 2.493 22.106 ( 0.000 -16.948 0.000) 16.948 22.131 ( 0.000 6.883 0.000) 6.883 22.468 ( 0.000 -4.523 0.000) 4.523 22.538 ( 0.000 11.574 0.000) 11.574 22.835 ( 0.000 0.219 0.000) 0.219 22.913 ( 0.000 -4.632 0.000) 4.632 23.025 ( 0.000 2.101 0.000) 2.101 23.073 ( 0.000 0.212 0.000) 0.212 23.123 ( 0.000 -1.020 0.000) 1.020 23.167 ( 0.000 -10.275 0.000) 10.275 23.240 ( 0.000 9.471 0.000) 9.471 23.291 ( 0.000 -8.395 0.000) 8.395 23.509 ( 0.000 5.364 0.000) 5.364 23.524 ( 0.000 -1.710 0.000) 1.710 23.536 ( 0.000 4.782 0.000) 4.782 23.610 ( 0.000 7.760 0.000) 7.760 23.672 ( 0.000 -1.711 0.000) 1.711 23.722 ( 0.000 10.288 0.000) 10.288 24.079 ( 0.000 4.843 0.000) 4.843 24.233 ( 0.000 -2.292 0.000) 2.292 24.246 ( 0.000 -3.283 0.000) 3.283 24.437 ( 0.000 -3.780 0.000) 3.780 24.534 ( 0.000 -12.532 0.000) 12.532 24.815 ( 0.000 0.741 0.000) 0.741 24.914 ( 0.000 -2.581 0.000) 2.581 25.047 ( 0.000 8.827 0.000) 8.827 25.242 ( 0.000 -2.112 0.000) 2.112 25.291 ( 0.000 1.094 0.000) 1.094 25.369 ( 0.000 0.386 0.000) 0.386 25.914 ( 0.000 1.340 0.000) 1.340 26.038 ( 0.000 -3.237 0.000) 3.237 26.296 ( 0.000 2.144 0.000) 2.144 26.384 ( 0.000 -1.573 0.000) 1.573 26.945 ( 0.000 1.443 0.000) 1.443 27.010 ( 0.000 -1.210 0.000) 1.210 27.054 ( 0.000 6.027 0.000) 6.027 27.297 ( 0.000 -4.238 0.000) 4.238 29.761 ( 0.000 4.894 0.000) 4.894 30.176 ( 0.000 -16.400 0.000) 16.400 30.903 ( 0.000 4.161 0.000) 4.161 30.914 ( 0.000 13.036 0.000) 13.036 30.984 ( 0.000 0.535 0.000) 0.535 31.005 ( 0.000 -0.354 0.000) 0.354 31.231 ( 0.000 1.839 0.000) 1.839 31.262 ( 0.000 0.967 0.000) 0.967 31.326 ( 0.000 -1.840 0.000) 1.840 31.413 ( 0.000 2.266 0.000) 2.266 31.507 ( 0.000 -1.851 0.000) 1.851 31.598 ( 0.000 -8.118 0.000) 8.118 36.359 ( 0.000 0.721 0.000) 0.721 36.394 ( 0.000 -0.727 0.000) 0.727 36.460 ( 0.000 0.776 0.000) 0.776 36.497 ( 0.000 -0.755 0.000) 0.755 36.590 ( 0.000 0.058 0.000) 0.058 36.596 ( 0.000 -0.204 0.000) 0.204 38.281 ( 0.000 10.060 0.000) 10.060 38.839 ( 0.000 -13.864 0.000) 13.864 39.399 ( 0.000 0.132 0.000) 0.132 39.429 ( 0.000 -1.325 0.000) 1.325 40.233 ( 0.000 3.451 0.000) 3.451 40.439 ( 0.000 7.092 0.000) 7.092 40.484 ( 0.000 -6.440 0.000) 6.440 40.603 ( 0.000 -1.089 0.000) 1.089 40.672 ( 0.000 11.683 0.000) 11.683 41.188 ( 0.000 10.116 0.000) 10.116 41.336 ( 0.000 -19.869 0.000) 19.869 41.823 ( 0.000 -20.347 0.000) 20.347 42.098 ( 0.000 14.208 0.000) 14.208 42.463 ( 0.000 -4.680 0.000) 4.680 42.828 ( 0.000 19.408 0.000) 19.408 43.394 ( 0.000 -8.260 0.000) 8.260 44.059 ( 0.000 0.454 0.000) 0.454 44.083 ( 0.000 -0.564 0.000) 0.564 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 21.520 23.188 0.000) 31.635 1.129 ( 29.678 19.816 0.000) 35.686 1.492 ( 7.051 6.521 0.000) 9.604 1.652 ( 2.987 8.932 0.000) 9.418 1.725 ( 1.983 -6.493 0.000) 6.789 1.818 ( -0.963 1.121 0.000) 1.478 1.855 ( 0.937 -0.479 0.000) 1.052 1.888 ( 2.763 4.563 0.000) 5.335 2.017 ( 3.493 6.709 0.000) 7.564 2.152 ( 5.237 3.064 0.000) 6.067 2.220 ( -0.608 -5.706 0.000) 5.738 2.463 ( 8.914 7.717 0.000) 11.790 2.472 ( 5.697 -11.034 0.000) 12.418 2.681 ( -0.650 -7.891 0.000) 7.918 2.825 ( 10.532 0.167 0.000) 10.534 2.858 ( 1.104 -1.459 0.000) 1.829 3.044 ( 15.613 21.204 0.000) 26.332 3.448 ( 48.841 10.184 0.000) 49.891 3.991 ( -13.215 3.682 0.000) 13.718 4.049 ( 11.410 -22.596 0.000) 25.313 4.132 ( -8.868 -1.961 0.000) 9.082 4.169 ( 15.167 -12.046 0.000) 19.369 4.542 ( -4.834 -9.081 0.000) 10.288 4.930 ( -7.888 6.968 0.000) 10.524 5.056 ( 6.987 -20.138 0.000) 21.315 5.134 ( 2.189 -2.085 0.000) 3.023 5.268 ( -1.185 9.697 0.000) 9.769 5.503 ( 4.585 22.125 0.000) 22.595 5.791 ( -11.028 23.850 0.000) 26.276 5.830 ( 0.477 -10.911 0.000) 10.921 5.977 ( -7.594 3.164 0.000) 8.227 6.130 ( -14.593 -4.973 0.000) 15.417 6.361 ( -7.724 -3.703 0.000) 8.566 6.393 ( -13.767 -5.031 0.000) 14.658 6.505 ( -16.001 -4.328 0.000) 16.576 6.510 ( 0.355 -13.012 0.000) 13.017 6.582 ( 9.416 7.665 0.000) 12.141 6.776 ( -15.040 -1.868 0.000) 15.156 6.875 ( -12.233 3.290 0.000) 12.668 6.984 ( 1.516 2.510 0.000) 2.932 7.135 ( 2.928 -1.775 0.000) 3.424 7.309 ( -1.124 -9.094 0.000) 9.164 7.420 ( 8.000 1.996 0.000) 8.246 7.461 ( 8.144 -9.593 0.000) 12.584 7.485 ( 9.525 1.424 0.000) 9.631 7.500 ( -3.720 -8.106 0.000) 8.919 8.186 ( 18.654 2.439 0.000) 18.813 8.427 ( 28.098 -6.078 0.000) 28.748 8.485 ( -17.810 18.319 0.000) 25.550 8.650 ( -6.695 6.433 0.000) 9.285 8.679 ( -20.426 -4.618 0.000) 20.942 9.148 ( -2.035 9.141 0.000) 9.364 9.382 ( -6.570 9.244 0.000) 11.341 9.425 ( -1.069 -13.586 0.000) 13.628 9.538 ( 7.675 -4.102 0.000) 8.703 9.715 ( 0.107 1.447 0.000) 1.451 9.832 ( -8.962 5.897 0.000) 10.728 9.901 ( 6.017 -20.223 0.000) 21.099 10.171 ( -12.991 10.804 0.000) 16.896 10.330 ( 10.876 -6.606 0.000) 12.725 10.476 ( 4.683 1.167 0.000) 4.827 10.628 ( 4.718 -3.156 0.000) 5.677 10.752 ( 7.620 21.267 0.000) 22.591 10.824 ( 4.008 -9.782 0.000) 10.571 10.874 ( 9.551 -10.770 0.000) 14.395 11.091 ( -2.204 3.782 0.000) 4.377 11.364 ( -0.942 -3.162 0.000) 3.300 11.443 ( -15.264 -4.165 0.000) 15.822 11.477 ( -4.262 0.093 0.000) 4.263 11.663 ( 7.789 1.613 0.000) 7.954 11.768 ( -10.037 -4.962 0.000) 11.197 11.809 ( -11.514 -2.899 0.000) 11.873 11.986 ( -3.902 5.067 0.000) 6.395 12.044 ( 3.008 16.785 0.000) 17.052 12.134 ( -16.318 9.391 0.000) 18.827 12.262 ( 5.458 1.949 0.000) 5.796 12.284 ( 3.303 -7.090 0.000) 7.821 12.421 ( 12.798 5.683 0.000) 14.003 12.670 ( 12.164 6.470 0.000) 13.777 13.062 ( -2.038 -13.526 0.000) 13.678 13.439 ( 13.230 -3.250 0.000) 13.623 13.739 ( -12.927 -0.298 0.000) 12.930 14.039 ( -7.687 16.999 0.000) 18.656 14.597 ( 0.183 -1.555 0.000) 1.566 14.765 ( -0.438 1.163 0.000) 1.242 14.914 ( -4.638 -21.747 0.000) 22.236 15.059 ( 21.374 -5.136 0.000) 21.983 15.223 ( -12.008 14.716 0.000) 18.993 15.298 ( 13.500 -24.875 0.000) 28.302 15.759 ( 13.978 -9.871 0.000) 17.112 16.230 ( -5.335 14.530 0.000) 15.479 16.632 ( 3.590 27.434 0.000) 27.668 16.793 ( -3.177 4.490 0.000) 5.500 16.814 ( 5.294 2.990 0.000) 6.080 16.871 ( 11.071 2.288 0.000) 11.305 17.216 ( 15.478 -6.479 0.000) 16.780 17.280 ( -16.956 -6.384 0.000) 18.118 17.364 ( -6.702 -1.818 0.000) 6.944 17.493 ( -8.425 -11.118 0.000) 13.949 17.500 ( 0.280 6.995 0.000) 7.001 17.604 ( -9.555 -7.407 0.000) 12.089 17.706 ( -7.527 -2.954 0.000) 8.086 17.868 ( -11.899 4.717 0.000) 12.800 17.968 ( -9.902 6.167 0.000) 11.665 18.205 ( -16.264 -3.025 0.000) 16.543 18.494 ( -2.515 -14.892 0.000) 15.103 18.639 ( 0.922 3.151 0.000) 3.284 18.869 ( -9.499 -2.597 0.000) 9.847 19.009 ( 8.199 17.429 0.000) 19.261 19.051 ( 4.065 13.605 0.000) 14.199 19.370 ( 9.935 -2.213 0.000) 10.178 19.840 ( -8.792 -19.230 0.000) 21.145 20.325 ( 4.026 -0.865 0.000) 4.118 20.349 ( 6.727 -5.965 0.000) 8.991 20.388 ( 1.367 -3.934 0.000) 4.165 20.493 ( -0.251 -7.951 0.000) 7.955 20.555 ( 2.799 1.115 0.000) 3.013 20.720 ( 0.449 -3.271 0.000) 3.302 20.888 ( -0.892 9.944 0.000) 9.984 20.994 ( 6.539 5.929 0.000) 8.826 21.019 ( 5.426 2.086 0.000) 5.813 21.029 ( 2.474 -1.214 0.000) 2.756 21.171 ( -2.189 -1.074 0.000) 2.438 21.211 ( 7.998 -6.998 0.000) 10.627 21.465 ( 0.092 10.108 0.000) 10.108 21.470 ( -8.245 5.393 0.000) 9.852 21.643 ( 10.347 -8.355 0.000) 13.299 21.716 ( -5.051 -2.907 0.000) 5.828 21.829 ( -2.467 2.162 0.000) 3.280 21.881 ( 3.811 -6.012 0.000) 7.118 21.930 ( 2.369 -3.817 0.000) 4.492 22.059 ( -4.395 -13.628 0.000) 14.319 22.232 ( 15.246 6.719 0.000) 16.661 22.507 ( 6.517 -2.208 0.000) 6.881 22.517 ( -0.370 10.381 0.000) 10.388 22.846 ( 1.294 -1.132 0.000) 1.719 22.965 ( 4.149 -5.469 0.000) 6.864 22.996 ( -4.359 1.376 0.000) 4.571 23.085 ( -0.048 -1.976 0.000) 1.977 23.145 ( 1.884 -1.380 0.000) 2.336 23.149 ( -0.021 -6.805 0.000) 6.805 23.191 ( -4.784 -3.007 0.000) 5.651 23.231 ( -4.070 6.684 0.000) 7.826 23.402 ( -5.252 3.911 0.000) 6.548 23.492 ( -1.548 6.560 0.000) 6.740 23.511 ( -7.597 9.804 0.000) 12.403 23.600 ( -1.171 7.069 0.000) 7.166 23.687 ( 2.168 -3.398 0.000) 4.031 23.791 ( 6.363 10.219 0.000) 12.038 24.032 ( -3.570 4.370 0.000) 5.643 24.072 ( -6.193 16.385 0.000) 17.516 24.157 ( -10.292 1.926 0.000) 10.470 24.372 ( -6.503 -6.505 0.000) 9.198 24.507 ( -2.157 -9.927 0.000) 10.159 24.558 ( -7.794 10.444 0.000) 13.032 24.808 ( -0.432 -0.479 0.000) 0.645 24.886 ( -11.018 2.933 0.000) 11.402 24.941 ( 1.694 -1.657 0.000) 2.370 25.137 ( -14.016 -1.617 0.000) 14.109 25.275 ( -16.067 -11.388 0.000) 19.693 26.008 ( 17.210 17.631 0.000) 24.638 26.335 ( 3.619 4.261 0.000) 5.591 26.485 ( 9.728 -2.193 0.000) 9.973 26.916 ( 13.166 -23.482 0.000) 26.921 27.055 ( 8.332 1.540 0.000) 8.473 27.075 ( 2.178 4.996 0.000) 5.450 27.224 ( 19.969 -19.283 0.000) 27.760 27.288 ( -0.887 -3.856 0.000) 3.957 29.853 ( 9.034 4.346 0.000) 10.025 30.241 ( 6.274 -15.607 0.000) 16.821 30.862 ( 0.248 10.329 0.000) 10.332 30.883 ( -10.659 0.633 0.000) 10.678 30.934 ( -4.958 -1.647 0.000) 5.225 30.949 ( 2.847 10.357 0.000) 10.741 31.248 ( -1.580 2.883 0.000) 3.288 31.263 ( 2.767 1.716 0.000) 3.256 31.326 ( -2.024 0.508 0.000) 2.087 31.454 ( 4.150 -0.858 0.000) 4.238 31.498 ( -0.685 -1.842 0.000) 1.965 31.611 ( 1.249 -8.026 0.000) 8.123 36.106 ( -4.410 9.487 0.000) 10.461 36.323 ( -0.621 -2.782 0.000) 2.851 36.550 ( -4.089 0.433 0.000) 4.112 36.568 ( -2.840 -0.341 0.000) 2.860 36.650 ( 18.324 6.537 0.000) 19.455 37.268 ( 35.358 -34.159 0.000) 49.163 38.187 ( -9.413 9.858 0.000) 13.631 38.763 ( -7.565 -15.087 0.000) 16.877 39.472 ( 7.091 0.209 0.000) 7.094 39.550 ( 9.544 -6.512 0.000) 11.554 40.186 ( -4.593 2.718 0.000) 5.337 40.240 ( -10.156 2.598 0.000) 10.483 40.642 ( 5.308 0.902 0.000) 5.384 40.695 ( 2.335 11.626 0.000) 11.858 40.746 ( 14.671 -2.698 0.000) 14.917 41.157 ( -2.849 10.656 0.000) 11.030 41.367 ( 2.785 -20.052 0.000) 20.244 41.800 ( -2.309 -19.861 0.000) 19.995 41.821 ( -22.938 26.505 0.000) 35.052 42.304 ( -15.507 -3.724 0.000) 15.948 42.838 ( 1.153 19.034 0.000) 19.068 43.373 ( -26.988 37.121 0.000) 45.895 43.402 ( 1.014 -8.281 0.000) 8.343 44.056 ( -11.522 -7.644 0.000) 13.827 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 17.380 1.759 0.000) 17.469 1.577 ( 13.045 5.226 0.000) 14.052 1.632 ( 6.199 -1.139 0.000) 6.303 1.699 ( 2.639 7.131 0.000) 7.603 1.740 ( -0.748 -2.005 0.000) 2.140 1.793 ( -1.542 2.404 0.000) 2.856 1.894 ( 3.037 -1.930 0.000) 3.598 2.017 ( 0.942 0.648 0.000) 1.143 2.062 ( 11.791 -4.952 0.000) 12.789 2.237 ( 4.472 -7.776 0.000) 8.970 2.297 ( 6.252 4.110 0.000) 7.482 2.492 ( -2.909 -4.074 0.000) 5.005 2.733 ( 12.455 4.514 0.000) 13.248 2.858 ( 24.462 -5.197 0.000) 25.008 2.965 ( 13.192 1.807 0.000) 13.315 3.204 ( 22.926 -6.155 0.000) 23.738 3.336 ( 14.957 19.102 0.000) 24.261 3.640 ( -19.685 3.867 0.000) 20.061 3.883 ( -16.402 -4.801 0.000) 17.090 3.959 ( -10.447 -3.747 0.000) 11.098 4.326 ( -12.040 -2.999 0.000) 12.407 4.502 ( 36.928 -1.391 0.000) 36.954 4.611 ( -24.422 14.578 0.000) 28.442 4.816 ( 42.921 -4.759 0.000) 43.184 5.152 ( -1.520 -9.124 0.000) 9.250 5.291 ( 15.306 -8.379 0.000) 17.449 5.325 ( 6.733 3.955 0.000) 7.809 5.570 ( 1.667 19.201 0.000) 19.273 5.657 ( -17.770 -3.754 0.000) 18.162 5.751 ( 8.295 15.757 0.000) 17.807 5.807 ( -6.408 -5.041 0.000) 8.153 5.901 ( -10.679 0.032 0.000) 10.679 6.017 ( -23.514 -2.660 0.000) 23.664 6.151 ( -8.661 -3.994 0.000) 9.538 6.229 ( -14.197 -3.531 0.000) 14.630 6.256 ( -6.908 -1.485 0.000) 7.065 6.573 ( -3.339 -5.325 0.000) 6.285 6.611 ( 5.227 -5.838 0.000) 7.836 7.011 ( -0.108 0.914 0.000) 0.921 7.144 ( 7.808 4.050 0.000) 8.796 7.152 ( -7.134 -3.583 0.000) 7.983 7.380 ( 14.642 -1.950 0.000) 14.771 7.445 ( -11.682 6.466 0.000) 13.353 7.507 ( 1.784 -7.229 0.000) 7.446 7.509 ( -3.755 0.380 0.000) 3.774 7.681 ( 15.424 -13.562 0.000) 20.539 8.053 ( -19.743 6.562 0.000) 20.805 8.266 ( -18.189 -3.354 0.000) 18.496 8.474 ( 9.504 12.316 0.000) 15.556 8.573 ( -1.122 15.552 0.000) 15.592 8.928 ( 19.826 -8.953 0.000) 21.754 9.148 ( 0.076 2.611 0.000) 2.612 9.266 ( -2.504 11.833 0.000) 12.095 9.400 ( -1.050 -4.973 0.000) 5.083 9.598 ( -17.352 8.710 0.000) 19.416 9.615 ( 0.910 5.796 0.000) 5.867 9.694 ( -0.934 -4.238 0.000) 4.339 9.927 ( 18.685 -7.402 0.000) 20.098 10.364 ( 12.435 -17.444 0.000) 21.423 10.516 ( 7.558 -8.629 0.000) 11.471 10.528 ( -4.581 5.159 0.000) 6.900 10.628 ( -4.959 -18.549 0.000) 19.201 10.877 ( -2.162 -13.683 0.000) 13.853 10.885 ( 4.597 -0.495 0.000) 4.624 11.052 ( 1.215 3.941 0.000) 4.124 11.089 ( 10.238 4.247 0.000) 11.083 11.228 ( -5.350 -2.439 0.000) 5.880 11.308 ( -4.940 0.667 0.000) 4.985 11.365 ( -7.344 -8.294 0.000) 11.078 11.464 ( -14.332 6.138 0.000) 15.591 11.607 ( -3.730 -1.123 0.000) 3.895 11.790 ( -6.192 -2.833 0.000) 6.810 11.897 ( -4.571 8.140 0.000) 9.335 11.905 ( -3.199 2.596 0.000) 4.120 12.092 ( -3.978 -0.795 0.000) 4.057 12.142 ( 7.926 24.303 0.000) 25.563 12.366 ( 3.489 -16.144 0.000) 16.517 12.631 ( -9.140 23.400 0.000) 25.122 12.947 ( -8.046 -2.638 0.000) 8.467 12.982 ( 22.551 6.672 0.000) 23.518 13.339 ( -5.241 9.617 0.000) 10.952 13.889 ( -7.842 15.257 0.000) 17.154 14.121 ( 30.213 -20.534 0.000) 36.530 14.621 ( 4.260 2.224 0.000) 4.806 14.755 ( -11.961 -17.712 0.000) 21.372 14.912 ( 15.556 -6.319 0.000) 16.791 15.020 ( -8.733 11.805 0.000) 14.684 15.469 ( 15.342 -9.283 0.000) 17.932 15.633 ( 28.106 -9.969 0.000) 29.821 15.810 ( -12.142 -11.823 0.000) 16.947 16.110 ( -8.328 15.219 0.000) 17.349 16.648 ( -2.643 27.108 0.000) 27.236 16.650 ( -13.464 10.546 0.000) 17.103 16.854 ( -19.436 -19.378 0.000) 27.446 16.944 ( 7.494 3.375 0.000) 8.219 17.185 ( 16.279 5.033 0.000) 17.039 17.204 ( -5.732 -13.432 0.000) 14.604 17.365 ( -8.077 2.952 0.000) 8.600 17.432 ( -3.712 -1.420 0.000) 3.974 17.480 ( 11.424 0.784 0.000) 11.451 17.530 ( -7.803 -1.730 0.000) 7.992 17.576 ( 4.891 2.044 0.000) 5.302 17.685 ( -7.716 2.606 0.000) 8.144 17.810 ( -5.880 0.575 0.000) 5.908 17.837 ( -18.597 0.060 0.000) 18.597 18.417 ( -20.372 5.605 0.000) 21.129 18.444 ( 1.604 -24.864 0.000) 24.916 18.714 ( -3.876 -9.605 0.000) 10.358 19.193 ( 9.233 15.328 0.000) 17.894 19.240 ( 9.245 13.863 0.000) 16.663 19.593 ( 9.582 -4.190 0.000) 10.458 19.733 ( -2.179 -10.499 0.000) 10.723 20.396 ( 2.854 -1.570 0.000) 3.258 20.396 ( 0.338 -2.165 0.000) 2.191 20.406 ( 0.778 -1.478 0.000) 1.670 20.479 ( -0.995 -5.755 0.000) 5.840 20.642 ( 5.937 0.789 0.000) 5.989 20.751 ( 2.965 -1.614 0.000) 3.376 20.857 ( -2.605 9.418 0.000) 9.772 21.021 ( -5.873 -0.725 0.000) 5.917 21.079 ( 1.224 13.377 0.000) 13.433 21.117 ( 1.685 4.715 0.000) 5.007 21.197 ( 6.721 0.139 0.000) 6.722 21.286 ( -5.478 6.123 0.000) 8.216 21.352 ( 5.109 -4.241 0.000) 6.640 21.474 ( 0.548 2.629 0.000) 2.685 21.582 ( -8.626 -1.295 0.000) 8.723 21.680 ( -5.420 -11.583 0.000) 12.788 21.777 ( -1.623 1.544 0.000) 2.240 21.841 ( -3.595 -3.634 0.000) 5.112 21.960 ( 0.412 -6.763 0.000) 6.776 21.984 ( -2.510 -11.268 0.000) 11.544 22.573 ( 5.828 8.913 0.000) 10.649 22.593 ( 16.853 5.032 0.000) 17.589 22.739 ( 12.968 1.751 0.000) 13.086 22.865 ( -5.952 7.246 0.000) 9.377 22.889 ( 2.357 -1.692 0.000) 2.902 23.002 ( -3.089 -5.430 0.000) 6.247 23.053 ( -0.186 -5.756 0.000) 5.759 23.059 ( -5.406 -2.101 0.000) 5.800 23.202 ( 4.080 -0.885 0.000) 4.175 23.225 ( 6.916 -3.326 0.000) 7.674 23.261 ( 5.522 5.790 0.000) 8.001 23.382 ( 0.091 -1.414 0.000) 1.417 23.423 ( -1.387 5.173 0.000) 5.356 23.472 ( 0.493 7.456 0.000) 7.472 23.552 ( -3.929 4.258 0.000) 5.793 23.719 ( -2.920 -3.804 0.000) 4.796 23.823 ( -7.535 6.459 0.000) 9.924 23.917 ( 4.721 14.218 0.000) 14.982 24.003 ( 1.177 -0.168 0.000) 1.189 24.166 ( -0.420 -5.497 0.000) 5.513 24.213 ( -7.390 -10.474 0.000) 12.818 24.490 ( 1.396 -5.218 0.000) 5.402 24.551 ( 1.032 4.616 0.000) 4.730 24.624 ( -18.301 -2.356 0.000) 18.452 24.753 ( -12.992 3.858 0.000) 13.553 24.780 ( -3.110 -0.273 0.000) 3.122 24.960 ( 0.375 -2.326 0.000) 2.356 25.061 ( -7.421 -8.152 0.000) 11.024 26.308 ( 11.297 17.049 0.000) 20.453 26.412 ( 3.413 9.115 0.000) 9.734 26.731 ( 14.379 -4.601 0.000) 15.097 27.039 ( 3.052 -12.511 0.000) 12.878 27.135 ( 3.726 2.694 0.000) 4.598 27.181 ( 3.570 2.077 0.000) 4.130 27.264 ( -1.421 -2.549 0.000) 2.918 27.350 ( -3.912 -9.376 0.000) 10.160 30.079 ( 13.200 3.608 0.000) 13.684 30.406 ( 10.080 -13.578 0.000) 16.911 30.635 ( -13.999 2.082 0.000) 14.153 30.800 ( -8.447 -5.933 0.000) 10.323 30.936 ( 6.356 9.592 0.000) 11.507 31.027 ( 5.024 7.275 0.000) 8.841 31.191 ( -4.420 6.188 0.000) 7.605 31.250 ( -5.252 2.119 0.000) 5.663 31.332 ( 3.986 1.417 0.000) 4.230 31.460 ( -2.067 -0.846 0.000) 2.234 31.555 ( 4.269 -4.000 0.000) 5.851 31.631 ( 0.429 -7.400 0.000) 7.413 36.134 ( 5.506 6.198 0.000) 8.290 36.339 ( 2.171 -2.958 0.000) 3.669 36.436 ( -7.304 1.600 0.000) 7.477 36.493 ( -4.513 -0.851 0.000) 4.593 37.074 ( 23.596 8.883 0.000) 25.212 37.821 ( 23.434 -28.214 0.000) 36.677 37.923 ( -17.196 9.654 0.000) 19.721 38.551 ( -13.837 -17.994 0.000) 22.700 39.652 ( 10.553 0.200 0.000) 10.555 39.734 ( 8.961 -5.511 0.000) 10.520 40.052 ( -9.330 1.619 0.000) 9.470 40.064 ( -7.599 1.550 0.000) 7.756 40.759 ( 4.001 10.953 0.000) 11.661 40.767 ( 6.699 4.767 0.000) 8.223 41.033 ( 9.498 4.050 0.000) 10.326 41.118 ( 4.635 3.662 0.000) 5.907 41.385 ( -12.438 15.236 0.000) 19.668 41.447 ( -2.860 -10.529 0.000) 10.910 41.739 ( -3.546 -17.962 0.000) 18.309 41.949 ( -18.495 -3.095 0.000) 18.752 42.878 ( 3.001 18.356 0.000) 18.600 43.082 ( -8.265 24.572 0.000) 25.924 43.445 ( 3.795 -8.465 0.000) 9.276 43.790 ( -13.662 -9.371 0.000) 16.567 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -2.511 0.139 0.000) 2.515 1.678 ( 2.511 0.139 0.000) 2.515 1.699 ( -1.957 -0.456 0.000) 2.009 1.699 ( 1.957 -0.456 0.000) 2.009 1.754 ( -2.597 5.201 0.000) 5.813 1.754 ( 2.597 5.201 0.000) 5.813 1.963 ( -3.696 -3.062 0.000) 4.800 1.963 ( 3.696 -3.062 0.000) 4.800 2.284 ( -6.701 0.699 0.000) 6.737 2.284 ( 6.701 0.699 0.000) 6.737 2.385 ( -8.020 -5.242 0.000) 9.581 2.385 ( 8.020 -5.242 0.000) 9.581 3.072 ( -20.893 6.162 0.000) 21.783 3.072 ( 20.893 6.162 0.000) 21.783 3.304 ( -0.758 3.268 0.000) 3.354 3.304 ( 0.758 3.268 0.000) 3.354 3.508 ( -12.253 -7.095 0.000) 14.159 3.508 ( 12.253 -7.095 0.000) 14.159 3.764 ( -14.694 -7.397 0.000) 16.451 3.764 ( 14.694 -7.397 0.000) 16.451 4.149 ( -11.054 18.249 0.000) 21.336 4.149 ( 11.054 18.249 0.000) 21.336 4.961 ( -17.541 -19.081 0.000) 25.918 4.961 ( 17.541 -19.081 0.000) 25.918 5.436 ( -7.109 -0.784 0.000) 7.152 5.436 ( 7.109 -0.784 0.000) 7.152 5.501 ( -2.794 9.372 0.000) 9.780 5.501 ( 2.794 9.372 0.000) 9.780 5.594 ( -10.347 -2.725 0.000) 10.700 5.594 ( 10.347 -2.725 0.000) 10.700 5.744 ( -1.350 4.482 0.000) 4.681 5.744 ( 1.350 4.482 0.000) 4.681 6.004 ( -8.331 -3.244 0.000) 8.941 6.004 ( 8.331 -3.244 0.000) 8.941 6.195 ( -5.733 -1.152 0.000) 5.848 6.195 ( 5.733 -1.152 0.000) 5.848 6.681 ( -26.109 7.725 0.000) 27.228 6.681 ( 26.109 7.725 0.000) 27.228 6.878 ( -15.740 -5.632 0.000) 16.718 6.878 ( 15.740 -5.632 0.000) 16.718 7.197 ( -4.475 7.917 0.000) 9.094 7.197 ( 4.475 7.917 0.000) 9.094 7.501 ( -0.965 -4.438 0.000) 4.542 7.501 ( 0.965 -4.438 0.000) 4.542 7.729 ( -16.433 2.024 0.000) 16.557 7.729 ( 16.433 2.024 0.000) 16.557 7.988 ( -13.500 -8.886 0.000) 16.163 7.988 ( 13.500 -8.886 0.000) 16.163 8.573 ( -1.132 14.278 0.000) 14.323 8.573 ( 1.132 14.278 0.000) 14.323 9.092 ( -4.069 -1.309 0.000) 4.275 9.092 ( 4.069 -1.309 0.000) 4.275 9.322 ( -4.266 3.489 0.000) 5.510 9.322 ( 4.266 3.489 0.000) 5.510 9.522 ( -4.968 8.476 0.000) 9.825 9.522 ( 4.968 8.476 0.000) 9.825 10.060 ( -30.343 -5.786 0.000) 30.889 10.060 ( 30.343 -5.786 0.000) 30.889 10.319 ( -18.022 -14.077 0.000) 22.868 10.319 ( 18.022 -14.077 0.000) 22.868 10.620 ( -2.855 -12.154 0.000) 12.485 10.620 ( 2.855 -12.154 0.000) 12.485 10.870 ( -5.702 -17.226 0.000) 18.145 10.870 ( 5.702 -17.226 0.000) 18.145 11.138 ( -4.865 2.860 0.000) 5.643 11.138 ( 4.865 2.860 0.000) 5.643 11.220 ( -3.027 -0.573 0.000) 3.081 11.220 ( 3.027 -0.573 0.000) 3.081 11.306 ( -3.642 7.031 0.000) 7.918 11.306 ( 3.642 7.031 0.000) 7.918 11.644 ( -6.148 -0.132 0.000) 6.150 11.644 ( 6.148 -0.132 0.000) 6.150 11.833 ( -0.404 6.552 0.000) 6.565 11.833 ( 0.404 6.552 0.000) 6.565 12.275 ( -12.828 -12.236 0.000) 17.728 12.275 ( 12.828 -12.236 0.000) 17.728 12.374 ( -14.594 26.500 0.000) 30.252 12.374 ( 14.594 26.500 0.000) 30.252 12.945 ( -8.984 -0.170 0.000) 8.985 12.945 ( 8.984 -0.170 0.000) 8.985 13.649 ( -18.900 18.856 0.000) 26.697 13.649 ( 18.900 18.856 0.000) 26.697 14.495 ( -12.921 -13.719 0.000) 18.846 14.495 ( 12.921 -13.719 0.000) 18.846 14.834 ( -11.930 -3.403 0.000) 12.406 14.834 ( 11.930 -3.403 0.000) 12.406 15.366 ( -28.708 -12.230 0.000) 31.205 15.366 ( 28.708 -12.230 0.000) 31.205 15.807 ( -19.349 9.152 0.000) 21.404 15.807 ( 19.349 9.152 0.000) 21.404 16.238 ( -29.279 -6.501 0.000) 29.992 16.238 ( 29.279 -6.501 0.000) 29.992 16.616 ( -2.921 11.197 0.000) 11.571 16.616 ( 2.921 11.197 0.000) 11.571 17.097 ( -7.879 -0.102 0.000) 7.880 17.097 ( 7.879 -0.102 0.000) 7.880 17.367 ( -7.959 -3.528 0.000) 8.706 17.367 ( 7.959 -3.528 0.000) 8.706 17.422 ( -2.065 -1.863 0.000) 2.781 17.422 ( 2.065 -1.863 0.000) 2.781 17.518 ( -8.752 2.067 0.000) 8.993 17.518 ( 8.752 2.067 0.000) 8.993 17.647 ( -3.358 -2.933 0.000) 4.458 17.647 ( 3.358 -2.933 0.000) 4.458 17.984 ( -23.054 9.835 0.000) 25.064 17.984 ( 23.054 9.835 0.000) 25.064 18.590 ( -9.313 -20.006 0.000) 22.068 18.590 ( 9.313 -20.006 0.000) 22.068 19.316 ( -1.939 13.545 0.000) 13.683 19.316 ( 1.939 13.545 0.000) 13.683 19.705 ( -2.314 -5.748 0.000) 6.196 19.705 ( 2.314 -5.748 0.000) 6.196 20.401 ( -0.364 -0.444 0.000) 0.574 20.401 ( 0.364 -0.444 0.000) 0.574 20.452 ( -2.010 -2.908 0.000) 3.535 20.452 ( 2.010 -2.908 0.000) 3.535 20.771 ( -6.262 4.168 0.000) 7.523 20.771 ( 6.262 4.168 0.000) 7.523 20.855 ( -8.142 0.063 0.000) 8.142 20.855 ( 8.142 0.063 0.000) 8.142 21.079 ( -0.817 14.318 0.000) 14.341 21.079 ( 0.817 14.318 0.000) 14.341 21.332 ( -6.229 0.118 0.000) 6.230 21.332 ( 6.229 0.118 0.000) 6.230 21.390 ( -9.898 0.242 0.000) 9.901 21.390 ( 9.898 0.242 0.000) 9.901 21.546 ( -6.540 -4.748 0.000) 8.081 21.546 ( 6.540 -4.748 0.000) 8.081 21.787 ( -1.981 -2.317 0.000) 3.049 21.787 ( 1.981 -2.317 0.000) 3.049 21.959 ( -0.209 -10.211 0.000) 10.213 21.959 ( 0.209 -10.211 0.000) 10.213 22.706 ( -6.906 9.282 0.000) 11.569 22.706 ( 6.906 9.282 0.000) 11.569 22.836 ( -8.256 0.741 0.000) 8.289 22.836 ( 8.256 0.741 0.000) 8.289 22.969 ( -2.507 -1.056 0.000) 2.720 22.969 ( 2.507 -1.056 0.000) 2.720 23.007 ( -2.690 -3.805 0.000) 4.660 23.007 ( 2.690 -3.805 0.000) 4.660 23.288 ( -4.057 -0.060 0.000) 4.058 23.288 ( 4.057 -0.060 0.000) 4.058 23.365 ( -3.689 -2.518 0.000) 4.466 23.365 ( 3.689 -2.518 0.000) 4.466 23.455 ( -4.358 3.060 0.000) 5.325 23.455 ( 4.358 3.060 0.000) 5.325 23.544 ( -7.166 7.319 0.000) 10.244 23.544 ( 7.166 7.319 0.000) 10.244 23.904 ( -9.013 -5.269 0.000) 10.440 23.904 ( 9.013 -5.269 0.000) 10.440 24.038 ( -9.430 -4.451 0.000) 10.427 24.038 ( 9.430 -4.451 0.000) 10.427 24.265 ( -11.132 2.143 0.000) 11.336 24.265 ( 11.132 2.143 0.000) 11.336 24.575 ( -6.790 2.002 0.000) 7.079 24.575 ( 6.790 2.002 0.000) 7.079 24.681 ( -6.367 0.666 0.000) 6.402 24.681 ( 6.367 0.666 0.000) 6.402 24.974 ( -1.783 -5.399 0.000) 5.686 24.974 ( 1.783 -5.399 0.000) 5.686 26.434 ( -2.011 13.757 0.000) 13.904 26.434 ( 2.011 13.757 0.000) 13.904 26.990 ( -9.711 -10.557 0.000) 14.344 26.990 ( 9.711 -10.557 0.000) 14.344 27.199 ( -1.526 1.002 0.000) 1.826 27.199 ( 1.526 1.002 0.000) 1.826 27.253 ( -2.083 0.059 0.000) 2.084 27.253 ( 2.083 0.059 0.000) 2.084 30.352 ( -14.530 3.111 0.000) 14.859 30.352 ( 14.530 3.111 0.000) 14.859 30.613 ( -10.463 -10.204 0.000) 14.615 30.613 ( 10.463 -10.204 0.000) 14.615 31.075 ( -7.101 8.303 0.000) 10.926 31.075 ( 7.101 8.303 0.000) 10.926 31.137 ( -5.932 4.139 0.000) 7.234 31.137 ( 5.932 4.139 0.000) 7.234 31.406 ( -3.388 0.390 0.000) 3.410 31.406 ( 3.388 0.390 0.000) 3.410 31.617 ( -1.967 -5.958 0.000) 6.274 31.617 ( 1.967 -5.958 0.000) 6.274 36.278 ( -8.353 3.564 0.000) 9.082 36.278 ( 8.353 3.564 0.000) 9.082 36.404 ( -4.228 -1.835 0.000) 4.609 36.404 ( 4.228 -1.835 0.000) 4.609 37.531 ( -22.352 9.595 0.000) 24.324 37.531 ( 22.352 9.595 0.000) 24.324 38.231 ( -18.725 -21.951 0.000) 28.852 38.231 ( 18.725 -21.951 0.000) 28.852 39.861 ( -10.387 0.250 0.000) 10.390 39.861 ( 10.387 0.250 0.000) 10.390 39.904 ( -8.475 -1.098 0.000) 8.546 39.904 ( 8.475 -1.098 0.000) 8.546 40.828 ( -1.684 8.383 0.000) 8.551 40.828 ( 1.684 8.383 0.000) 8.551 41.127 ( -9.247 18.772 0.000) 20.926 41.127 ( 9.247 18.772 0.000) 20.926 41.378 ( -11.466 -13.785 0.000) 17.930 41.378 ( 11.466 -13.785 0.000) 17.930 41.705 ( -2.975 -10.790 0.000) 11.193 41.705 ( 2.975 -10.790 0.000) 11.193 42.957 ( -5.112 19.082 0.000) 19.754 42.957 ( 5.112 19.082 0.000) 19.754 43.566 ( -8.811 -9.022 0.000) 12.611 43.566 ( 8.811 -9.022 0.000) 12.611 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 -27.066 0.000) 27.066 1.348 ( 0.000 27.066 0.000) 27.066 1.461 ( 0.000 -4.711 0.000) 4.711 1.461 ( 0.000 4.711 0.000) 4.711 1.841 ( 0.000 -0.531 0.000) 0.531 1.841 ( 0.000 0.531 0.000) 0.531 2.055 ( 0.000 -16.816 0.000) 16.816 2.055 ( 0.000 16.816 0.000) 16.816 2.112 ( 0.000 -3.064 0.000) 3.064 2.112 ( 0.000 3.064 0.000) 3.064 2.177 ( 0.000 -6.703 0.000) 6.703 2.177 ( 0.000 6.703 0.000) 6.703 2.578 ( 0.000 -1.567 0.000) 1.567 2.578 ( 0.000 1.567 0.000) 1.567 2.811 ( 0.000 -2.668 0.000) 2.668 2.811 ( 0.000 2.668 0.000) 2.668 2.915 ( 0.000 -5.014 0.000) 5.014 2.915 ( 0.000 5.014 0.000) 5.014 3.616 ( 0.000 -27.765 0.000) 27.765 3.616 ( 0.000 27.765 0.000) 27.765 4.181 ( 0.000 -2.790 0.000) 2.790 4.181 ( 0.000 2.790 0.000) 2.790 4.620 ( 0.000 -11.729 0.000) 11.729 4.620 ( 0.000 11.729 0.000) 11.729 5.065 ( 0.000 -3.350 0.000) 3.350 5.065 ( 0.000 3.350 0.000) 3.350 5.575 ( 0.000 -15.669 0.000) 15.669 5.575 ( 0.000 15.669 0.000) 15.669 5.868 ( 0.000 -17.823 0.000) 17.823 5.868 ( 0.000 17.823 0.000) 17.823 6.141 ( 0.000 -7.575 0.000) 7.575 6.141 ( 0.000 7.575 0.000) 7.575 6.423 ( 0.000 -1.199 0.000) 1.199 6.423 ( 0.000 1.199 0.000) 1.199 6.576 ( 0.000 -6.481 0.000) 6.481 6.576 ( 0.000 6.481 0.000) 6.481 6.830 ( 0.000 -23.465 0.000) 23.465 6.830 ( 0.000 23.465 0.000) 23.465 7.059 ( 0.000 -3.648 0.000) 3.648 7.059 ( 0.000 3.648 0.000) 3.648 7.235 ( 0.000 -4.274 0.000) 4.274 7.235 ( 0.000 4.274 0.000) 4.274 7.355 ( 0.000 -0.065 0.000) 0.065 7.355 ( 0.000 0.065 0.000) 0.065 7.387 ( 0.000 -13.353 0.000) 13.353 7.387 ( 0.000 13.353 0.000) 13.353 7.870 ( 0.000 -3.132 0.000) 3.132 7.870 ( 0.000 3.132 0.000) 3.132 8.786 ( 0.000 -5.278 0.000) 5.278 8.786 ( 0.000 5.278 0.000) 5.278 9.164 ( 0.000 -23.600 0.000) 23.600 9.164 ( 0.000 23.600 0.000) 23.600 9.325 ( 0.000 -4.122 0.000) 4.122 9.325 ( 0.000 4.122 0.000) 4.122 9.486 ( 0.000 -2.544 0.000) 2.544 9.486 ( 0.000 2.544 0.000) 2.544 9.895 ( 0.000 -11.272 0.000) 11.272 9.895 ( 0.000 11.272 0.000) 11.272 10.393 ( 0.000 -24.332 0.000) 24.332 10.393 ( 0.000 24.332 0.000) 24.332 10.470 ( 0.000 -2.799 0.000) 2.799 10.470 ( 0.000 2.799 0.000) 2.799 10.612 ( 0.000 -6.847 0.000) 6.847 10.612 ( 0.000 6.847 0.000) 6.847 11.157 ( 0.000 -21.247 0.000) 21.247 11.157 ( 0.000 21.247 0.000) 21.247 11.472 ( 0.000 -17.575 0.000) 17.575 11.472 ( 0.000 17.575 0.000) 17.575 11.611 ( 0.000 -11.350 0.000) 11.350 11.611 ( 0.000 11.350 0.000) 11.350 11.815 ( 0.000 -23.236 0.000) 23.236 11.815 ( 0.000 23.236 0.000) 23.236 12.050 ( 0.000 -0.911 0.000) 0.911 12.050 ( 0.000 0.911 0.000) 0.911 12.125 ( 0.000 -5.719 0.000) 5.719 12.125 ( 0.000 5.719 0.000) 5.719 12.445 ( 0.000 -1.796 0.000) 1.796 12.445 ( 0.000 1.796 0.000) 1.796 12.592 ( 0.000 -31.605 0.000) 31.605 12.592 ( 0.000 31.605 0.000) 31.605 13.728 ( 0.000 -23.357 0.000) 23.357 13.728 ( 0.000 23.357 0.000) 23.357 14.521 ( 0.000 -23.781 0.000) 23.781 14.521 ( 0.000 23.781 0.000) 23.781 14.639 ( 0.000 -4.429 0.000) 4.429 14.639 ( 0.000 4.429 0.000) 4.429 14.884 ( 0.000 -8.389 0.000) 8.389 14.884 ( 0.000 8.389 0.000) 8.389 15.488 ( 0.000 -1.764 0.000) 1.764 15.488 ( 0.000 1.764 0.000) 1.764 16.631 ( 0.000 -20.483 0.000) 20.483 16.631 ( 0.000 20.483 0.000) 20.483 16.794 ( 0.000 -0.197 0.000) 0.197 16.794 ( 0.000 0.197 0.000) 0.197 16.833 ( 0.000 -8.681 0.000) 8.681 16.833 ( 0.000 8.681 0.000) 8.681 17.408 ( 0.000 -3.989 0.000) 3.989 17.408 ( 0.000 3.989 0.000) 3.989 17.562 ( 0.000 -7.038 0.000) 7.038 17.562 ( 0.000 7.038 0.000) 7.038 17.698 ( 0.000 -6.534 0.000) 6.534 17.698 ( 0.000 6.534 0.000) 6.534 18.220 ( 0.000 -12.092 0.000) 12.092 18.220 ( 0.000 12.092 0.000) 12.092 18.309 ( 0.000 -12.553 0.000) 12.553 18.309 ( 0.000 12.553 0.000) 12.553 18.709 ( 0.000 -11.155 0.000) 11.155 18.709 ( 0.000 11.155 0.000) 11.155 19.287 ( 0.000 -8.056 0.000) 8.056 19.287 ( 0.000 8.056 0.000) 8.056 19.386 ( 0.000 -30.893 0.000) 30.893 19.386 ( 0.000 30.893 0.000) 30.893 20.302 ( 0.000 -2.655 0.000) 2.655 20.302 ( 0.000 2.655 0.000) 2.655 20.325 ( 0.000 -9.325 0.000) 9.325 20.325 ( 0.000 9.325 0.000) 9.325 20.618 ( 0.000 -6.064 0.000) 6.064 20.618 ( 0.000 6.064 0.000) 6.064 20.970 ( 0.000 -1.651 0.000) 1.651 20.970 ( 0.000 1.651 0.000) 1.651 20.987 ( 0.000 -5.359 0.000) 5.359 20.987 ( 0.000 5.359 0.000) 5.359 21.109 ( 0.000 -7.622 0.000) 7.622 21.109 ( 0.000 7.622 0.000) 7.622 21.551 ( 0.000 -5.708 0.000) 5.708 21.551 ( 0.000 5.708 0.000) 5.708 21.665 ( 0.000 -7.898 0.000) 7.898 21.665 ( 0.000 7.898 0.000) 7.898 21.801 ( 0.000 -14.293 0.000) 14.293 21.801 ( 0.000 14.293 0.000) 14.293 21.869 ( 0.000 -0.592 0.000) 0.592 21.869 ( 0.000 0.592 0.000) 0.592 22.302 ( 0.000 -10.500 0.000) 10.500 22.302 ( 0.000 10.500 0.000) 10.500 22.738 ( 0.000 -8.670 0.000) 8.670 22.738 ( 0.000 8.670 0.000) 8.670 22.969 ( 0.000 -7.933 0.000) 7.933 22.969 ( 0.000 7.933 0.000) 7.933 23.102 ( 0.000 -1.030 0.000) 1.030 23.102 ( 0.000 1.030 0.000) 1.030 23.131 ( 0.000 -7.891 0.000) 7.891 23.131 ( 0.000 7.891 0.000) 7.891 23.418 ( 0.000 -8.538 0.000) 8.538 23.418 ( 0.000 8.538 0.000) 8.538 23.591 ( 0.000 -3.502 0.000) 3.502 23.591 ( 0.000 3.502 0.000) 3.502 23.625 ( 0.000 -3.811 0.000) 3.811 23.625 ( 0.000 3.811 0.000) 3.811 24.056 ( 0.000 -14.118 0.000) 14.118 24.056 ( 0.000 14.118 0.000) 14.118 24.208 ( 0.000 -0.290 0.000) 0.290 24.208 ( 0.000 0.290 0.000) 0.290 24.357 ( 0.000 -0.830 0.000) 0.830 24.357 ( 0.000 0.830 0.000) 0.830 24.854 ( 0.000 -3.178 0.000) 3.178 24.854 ( 0.000 3.178 0.000) 3.178 25.187 ( 0.000 -4.713 0.000) 4.713 25.187 ( 0.000 4.713 0.000) 4.713 25.334 ( 0.000 -3.313 0.000) 3.313 25.334 ( 0.000 3.313 0.000) 3.313 25.965 ( 0.000 -3.867 0.000) 3.867 25.965 ( 0.000 3.867 0.000) 3.867 26.344 ( 0.000 -2.573 0.000) 2.573 26.344 ( 0.000 2.573 0.000) 2.573 26.979 ( 0.000 -1.913 0.000) 1.913 26.979 ( 0.000 1.913 0.000) 1.913 27.186 ( 0.000 -7.104 0.000) 7.104 27.186 ( 0.000 7.104 0.000) 7.104 29.911 ( 0.000 -11.170 0.000) 11.170 29.911 ( 0.000 11.170 0.000) 11.170 30.986 ( 0.000 -3.243 0.000) 3.243 30.986 ( 0.000 3.243 0.000) 3.243 30.996 ( 0.000 -0.592 0.000) 0.592 30.996 ( 0.000 0.592 0.000) 0.592 31.289 ( 0.000 -1.825 0.000) 1.825 31.289 ( 0.000 1.825 0.000) 1.825 31.391 ( 0.000 -12.649 0.000) 12.649 31.391 ( 0.000 12.649 0.000) 12.649 31.462 ( 0.000 -2.727 0.000) 2.727 31.462 ( 0.000 2.727 0.000) 2.727 36.377 ( 0.000 -1.032 0.000) 1.032 36.377 ( 0.000 1.032 0.000) 1.032 36.479 ( 0.000 -1.075 0.000) 1.075 36.479 ( 0.000 1.075 0.000) 1.075 36.593 ( 0.000 -0.181 0.000) 0.181 36.593 ( 0.000 0.181 0.000) 0.181 38.538 ( 0.000 -16.176 0.000) 16.176 38.538 ( 0.000 16.176 0.000) 16.176 39.407 ( 0.000 -0.837 0.000) 0.837 39.407 ( 0.000 0.837 0.000) 0.837 40.345 ( 0.000 -7.537 0.000) 7.537 40.345 ( 0.000 7.537 0.000) 7.537 40.552 ( 0.000 -4.401 0.000) 4.401 40.552 ( 0.000 4.401 0.000) 4.401 40.965 ( 0.000 -18.505 0.000) 18.505 40.965 ( 0.000 18.505 0.000) 18.505 41.456 ( 0.000 -17.620 0.000) 17.620 41.456 ( 0.000 17.620 0.000) 17.620 42.327 ( 0.000 -9.740 0.000) 9.740 42.327 ( 0.000 9.740 0.000) 9.740 43.166 ( 0.000 -15.535 0.000) 15.535 43.166 ( 0.000 15.535 0.000) 15.535 44.071 ( 0.000 -0.721 0.000) 0.721 44.071 ( 0.000 0.721 0.000) 0.721 ======================= Grid point 16 (10/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.288 -12.026 0.000) 12.029 1.435 ( 0.288 12.026 0.000) 12.029 1.507 ( 12.185 -17.158 0.000) 21.045 1.507 ( 12.185 17.158 0.000) 21.045 1.840 ( -0.026 -1.092 0.000) 1.092 1.840 ( -0.026 1.092 0.000) 1.092 1.896 ( -4.747 -14.093 0.000) 14.871 1.896 ( -4.747 14.093 0.000) 14.871 2.052 ( -2.439 -1.240 0.000) 2.736 2.052 ( -2.439 1.240 0.000) 2.736 2.262 ( 8.352 -9.139 0.000) 12.381 2.262 ( 8.352 9.139 0.000) 12.381 2.554 ( 6.234 -4.491 0.000) 7.683 2.554 ( 6.234 4.491 0.000) 7.683 2.833 ( 3.555 -0.910 0.000) 3.670 2.833 ( 3.555 0.910 0.000) 3.670 3.496 ( 21.884 -17.832 0.000) 28.229 3.496 ( 21.884 17.832 0.000) 28.229 3.890 ( 35.906 -17.054 0.000) 39.750 3.890 ( 35.906 17.054 0.000) 39.750 4.072 ( -11.008 -4.238 0.000) 11.796 4.072 ( -11.008 4.238 0.000) 11.796 4.621 ( 2.518 -18.218 0.000) 18.392 4.621 ( 2.518 18.218 0.000) 18.392 5.058 ( -1.679 -5.814 0.000) 6.051 5.058 ( -1.679 5.814 0.000) 6.051 5.539 ( -3.672 -17.332 0.000) 17.717 5.539 ( -3.672 17.332 0.000) 17.717 5.903 ( 3.040 -14.846 0.000) 15.154 5.903 ( 3.040 14.846 0.000) 15.154 6.055 ( -8.943 -4.424 0.000) 9.977 6.055 ( -8.943 4.424 0.000) 9.977 6.318 ( -11.986 -5.189 0.000) 13.061 6.318 ( -11.986 5.189 0.000) 13.061 6.382 ( -14.324 -5.197 0.000) 15.237 6.382 ( -14.324 5.197 0.000) 15.237 6.731 ( -16.745 -3.636 0.000) 17.135 6.731 ( -16.745 3.636 0.000) 17.135 7.073 ( 1.481 -4.839 0.000) 5.060 7.073 ( 1.481 4.839 0.000) 5.060 7.092 ( 4.504 -17.079 0.000) 17.663 7.092 ( 4.504 17.079 0.000) 17.663 7.336 ( 0.888 -1.542 0.000) 1.780 7.336 ( 0.888 1.542 0.000) 1.780 7.469 ( 7.323 -2.760 0.000) 7.826 7.469 ( 7.323 2.760 0.000) 7.826 8.293 ( 27.146 -7.505 0.000) 28.165 8.293 ( 27.146 7.505 0.000) 28.165 8.612 ( -17.517 -2.389 0.000) 17.679 8.612 ( -17.517 2.389 0.000) 17.679 9.044 ( -7.609 -23.980 0.000) 25.158 9.044 ( -7.609 23.980 0.000) 25.158 9.453 ( 8.217 -21.264 0.000) 22.797 9.453 ( 8.217 21.264 0.000) 22.797 9.487 ( -0.187 -2.325 0.000) 2.333 9.487 ( -0.187 2.325 0.000) 2.333 9.802 ( -5.336 -7.389 0.000) 9.114 9.802 ( -5.336 7.389 0.000) 9.114 10.404 ( -6.560 -10.423 0.000) 12.315 10.404 ( -6.560 10.423 0.000) 12.315 10.506 ( 7.494 -21.645 0.000) 22.905 10.506 ( 7.494 21.645 0.000) 22.905 10.651 ( 4.028 -6.812 0.000) 7.913 10.651 ( 4.028 6.812 0.000) 7.913 11.203 ( 5.115 -17.837 0.000) 18.556 11.203 ( 5.115 17.837 0.000) 18.556 11.252 ( -10.962 -11.951 0.000) 16.217 11.252 ( -10.962 11.951 0.000) 16.217 11.537 ( -7.247 -10.739 0.000) 12.955 11.537 ( -7.247 10.739 0.000) 12.955 11.737 ( -4.979 -4.450 0.000) 6.677 11.737 ( -4.979 4.450 0.000) 6.677 12.083 ( -2.428 -5.313 0.000) 5.841 12.083 ( -2.428 5.313 0.000) 5.841 12.258 ( -8.797 -2.940 0.000) 9.275 12.258 ( -8.797 2.940 0.000) 9.275 12.615 ( 29.870 -11.572 0.000) 32.034 12.615 ( 29.870 11.572 0.000) 32.034 12.642 ( 3.188 -29.047 0.000) 29.222 12.642 ( 3.188 29.047 0.000) 29.222 13.572 ( -9.241 -14.090 0.000) 16.850 13.572 ( -9.241 14.090 0.000) 16.850 14.451 ( -6.640 -25.024 0.000) 25.890 14.451 ( -6.640 25.024 0.000) 25.890 14.683 ( 0.462 -8.821 0.000) 8.833 14.683 ( 0.462 8.821 0.000) 8.833 15.023 ( 16.448 -4.381 0.000) 17.021 15.023 ( 16.448 4.381 0.000) 17.021 15.518 ( 1.232 -15.127 0.000) 15.177 15.518 ( 1.232 15.127 0.000) 15.177 16.595 ( -3.672 -21.417 0.000) 21.729 16.595 ( -3.672 21.417 0.000) 21.729 16.845 ( 4.921 -0.751 0.000) 4.978 16.845 ( 4.921 0.751 0.000) 4.978 17.063 ( 20.359 -11.792 0.000) 23.527 17.063 ( 20.359 11.792 0.000) 23.527 17.273 ( -15.866 -5.893 0.000) 16.925 17.273 ( -15.866 5.893 0.000) 16.925 17.481 ( -5.259 -4.790 0.000) 7.114 17.481 ( -5.259 4.790 0.000) 7.114 17.623 ( -6.479 -5.738 0.000) 8.654 17.623 ( -6.479 5.738 0.000) 8.654 18.018 ( -13.363 -11.117 0.000) 17.383 18.018 ( -13.363 11.117 0.000) 17.383 18.182 ( -11.962 -16.150 0.000) 20.098 18.182 ( -11.962 16.150 0.000) 20.098 18.778 ( -4.024 -7.214 0.000) 8.261 18.778 ( -4.024 7.214 0.000) 8.261 19.269 ( 5.682 -8.702 0.000) 10.392 19.269 ( 5.682 8.702 0.000) 10.392 19.405 ( 2.587 -23.765 0.000) 23.906 19.405 ( 2.587 23.765 0.000) 23.906 20.335 ( 2.777 -1.774 0.000) 3.295 20.335 ( 2.777 1.774 0.000) 3.295 20.363 ( 2.443 -5.267 0.000) 5.806 20.363 ( 2.443 5.267 0.000) 5.806 20.630 ( 1.607 -5.419 0.000) 5.653 20.630 ( 1.607 5.419 0.000) 5.653 20.998 ( 2.090 -2.287 0.000) 3.098 20.998 ( 2.090 2.287 0.000) 3.098 21.090 ( 8.941 -5.351 0.000) 10.420 21.090 ( 8.941 5.351 0.000) 10.420 21.115 ( 1.154 -5.711 0.000) 5.827 21.115 ( 1.154 5.711 0.000) 5.827 21.561 ( -2.566 -3.225 0.000) 4.121 21.561 ( -2.566 3.225 0.000) 4.121 21.631 ( -3.448 -6.536 0.000) 7.390 21.631 ( -3.448 6.536 0.000) 7.390 21.850 ( 2.123 -5.703 0.000) 6.085 21.850 ( 2.123 5.703 0.000) 6.085 21.873 ( -0.127 -2.497 0.000) 2.501 21.873 ( -0.127 2.497 0.000) 2.501 22.391 ( 11.626 -8.733 0.000) 14.540 22.391 ( 11.626 8.733 0.000) 14.540 22.722 ( -0.479 -10.334 0.000) 10.345 22.722 ( -0.479 10.334 0.000) 10.345 22.976 ( 0.301 -5.008 0.000) 5.017 22.976 ( 0.301 5.008 0.000) 5.017 23.069 ( -5.079 -6.106 0.000) 7.943 23.069 ( -5.079 6.106 0.000) 7.943 23.125 ( 2.357 -0.948 0.000) 2.540 23.125 ( 2.357 0.948 0.000) 2.540 23.377 ( -3.044 -5.437 0.000) 6.231 23.377 ( -3.044 5.437 0.000) 6.231 23.595 ( -0.042 -4.130 0.000) 4.130 23.595 ( -0.042 4.130 0.000) 4.130 23.615 ( -1.322 -3.923 0.000) 4.140 23.615 ( -1.322 3.923 0.000) 4.140 24.067 ( 1.396 -8.908 0.000) 9.017 24.067 ( 1.396 8.908 0.000) 9.017 24.182 ( -3.834 -2.036 0.000) 4.341 24.182 ( -3.834 2.036 0.000) 4.341 24.285 ( -6.242 -3.938 0.000) 7.381 24.285 ( -6.242 3.938 0.000) 7.381 24.839 ( -21.630 -11.718 0.000) 24.600 24.839 ( -21.630 11.718 0.000) 24.600 24.871 ( 1.011 -4.900 0.000) 5.003 24.871 ( 1.011 4.900 0.000) 5.003 25.122 ( -12.357 -2.372 0.000) 12.583 25.122 ( -12.357 2.372 0.000) 12.583 26.399 ( 22.958 -24.301 0.000) 33.430 26.399 ( 22.958 24.301 0.000) 33.430 26.422 ( 7.450 -4.332 0.000) 8.618 26.422 ( 7.450 4.332 0.000) 8.618 27.096 ( 9.579 -2.836 0.000) 9.990 27.096 ( 9.579 2.836 0.000) 9.990 27.188 ( 0.306 -6.259 0.000) 6.267 27.188 ( 0.306 6.259 0.000) 6.267 29.992 ( 7.823 -10.436 0.000) 13.042 29.992 ( 7.823 10.436 0.000) 13.042 30.902 ( -8.453 -1.457 0.000) 8.577 30.902 ( -8.453 1.457 0.000) 8.577 30.999 ( 1.713 -4.210 0.000) 4.545 30.999 ( 1.713 4.210 0.000) 4.545 31.307 ( 0.410 -2.695 0.000) 2.726 31.307 ( 0.410 2.695 0.000) 2.726 31.411 ( 1.888 -11.918 0.000) 12.067 31.411 ( 1.888 11.918 0.000) 12.067 31.460 ( 0.139 -1.637 0.000) 1.643 31.460 ( 0.139 1.637 0.000) 1.643 36.247 ( -3.192 -5.486 0.000) 6.347 36.247 ( -3.192 5.486 0.000) 6.347 36.559 ( -3.322 -0.528 0.000) 3.364 36.559 ( -3.322 0.528 0.000) 3.364 36.841 ( 24.741 -14.448 0.000) 28.651 36.841 ( 24.741 14.448 0.000) 28.651 38.445 ( -9.228 -16.633 0.000) 19.021 38.445 ( -9.228 16.633 0.000) 19.021 39.486 ( 7.471 -1.545 0.000) 7.629 39.486 ( 7.471 1.545 0.000) 7.629 40.243 ( -7.728 -2.197 0.000) 8.035 40.243 ( -7.728 2.197 0.000) 8.035 40.682 ( 10.467 -3.264 0.000) 10.964 40.682 ( 10.467 3.264 0.000) 10.964 40.989 ( 2.364 -18.707 0.000) 18.856 40.989 ( 2.364 18.707 0.000) 18.856 41.435 ( -1.992 -17.860 0.000) 17.970 41.435 ( -1.992 17.860 0.000) 17.970 42.157 ( -16.108 -11.863 0.000) 20.005 42.157 ( -16.108 11.863 0.000) 20.005 43.174 ( 0.948 -15.532 0.000) 15.561 43.174 ( 0.948 15.532 0.000) 15.561 43.844 ( -18.137 -15.807 0.000) 24.059 43.844 ( -18.137 15.807 0.000) 24.059 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 9.465 -4.439 0.000) 10.454 1.565 ( 9.465 4.439 0.000) 10.454 1.678 ( 4.164 -4.663 0.000) 6.252 1.678 ( 4.164 4.663 0.000) 6.252 1.846 ( 0.849 -2.924 0.000) 3.045 1.846 ( 0.849 2.924 0.000) 3.045 1.890 ( -0.066 -10.874 0.000) 10.874 1.890 ( -0.066 10.874 0.000) 10.874 2.098 ( 9.114 -6.015 0.000) 10.920 2.098 ( 9.114 6.015 0.000) 10.920 2.396 ( 1.484 -5.698 0.000) 5.888 2.396 ( 1.484 5.698 0.000) 5.888 2.786 ( 17.749 -2.568 0.000) 17.934 2.786 ( 17.749 2.568 0.000) 17.934 3.054 ( 20.189 -7.623 0.000) 21.580 3.054 ( 20.189 7.623 0.000) 21.580 3.720 ( 4.292 -19.328 0.000) 19.799 3.720 ( 4.292 19.328 0.000) 19.799 3.760 ( -20.271 -7.543 0.000) 21.629 3.760 ( -20.271 7.543 0.000) 21.629 4.356 ( 5.234 -6.300 0.000) 8.191 4.356 ( 5.234 6.300 0.000) 8.191 4.916 ( -14.883 -15.505 0.000) 21.492 4.916 ( -14.883 15.505 0.000) 21.492 5.042 ( 36.735 -17.558 0.000) 40.715 5.042 ( 36.735 17.558 0.000) 40.715 5.470 ( -1.022 -11.640 0.000) 11.685 5.470 ( -1.022 11.640 0.000) 11.685 5.836 ( -10.763 -6.018 0.000) 12.332 5.836 ( -10.763 6.018 0.000) 12.332 5.909 ( -12.105 -10.826 0.000) 16.239 5.909 ( -12.105 10.826 0.000) 16.239 6.026 ( -3.939 -16.411 0.000) 16.877 6.026 ( -3.939 16.411 0.000) 16.877 6.176 ( -6.589 -5.488 0.000) 8.575 6.176 ( -6.589 5.488 0.000) 8.575 6.523 ( 1.235 -2.033 0.000) 2.379 6.523 ( 1.235 2.033 0.000) 2.379 7.077 ( -3.387 -4.741 0.000) 5.827 7.077 ( -3.387 4.741 0.000) 5.827 7.301 ( 5.608 -11.083 0.000) 12.421 7.301 ( 5.608 11.083 0.000) 12.421 7.451 ( 16.232 -8.740 0.000) 18.436 7.451 ( 16.232 8.740 0.000) 18.436 7.507 ( -5.556 -1.113 0.000) 5.666 7.507 ( -5.556 1.113 0.000) 5.666 8.180 ( -22.281 -5.888 0.000) 23.046 8.180 ( -22.281 5.888 0.000) 23.046 8.722 ( 14.724 -12.707 0.000) 19.449 8.722 ( 14.724 12.707 0.000) 19.449 8.935 ( -3.552 -19.848 0.000) 20.163 8.935 ( -3.552 19.848 0.000) 20.163 9.495 ( 1.985 -11.350 0.000) 11.522 9.495 ( 1.985 11.350 0.000) 11.522 9.561 ( 2.016 -14.557 0.000) 14.696 9.561 ( 2.016 14.557 0.000) 14.696 9.789 ( 5.376 -6.967 0.000) 8.800 9.789 ( 5.376 6.967 0.000) 8.800 10.280 ( -6.455 -12.989 0.000) 14.504 10.280 ( -6.455 12.989 0.000) 14.504 10.601 ( 1.833 -16.614 0.000) 16.715 10.601 ( 1.833 16.614 0.000) 16.715 10.665 ( -4.720 -9.203 0.000) 10.343 10.665 ( -4.720 9.203 0.000) 10.343 11.142 ( -0.928 -5.284 0.000) 5.365 11.142 ( -0.928 5.284 0.000) 5.365 11.300 ( -2.272 -0.775 0.000) 2.401 11.300 ( -2.272 0.775 0.000) 2.401 11.404 ( 0.764 -17.744 0.000) 17.760 11.404 ( 0.764 17.744 0.000) 17.760 11.623 ( -6.256 -9.879 0.000) 11.694 11.623 ( -6.256 9.879 0.000) 11.694 12.035 ( -6.989 -5.598 0.000) 8.955 12.035 ( -6.989 5.598 0.000) 8.955 12.068 ( 0.216 -10.861 0.000) 10.863 12.068 ( 0.216 10.861 0.000) 10.863 12.685 ( 2.323 -23.848 0.000) 23.961 12.685 ( 2.323 23.848 0.000) 23.961 12.971 ( -1.219 -10.204 0.000) 10.277 12.971 ( -1.219 10.204 0.000) 10.277 13.674 ( 21.876 -24.041 0.000) 32.504 13.674 ( 21.876 24.041 0.000) 32.504 14.292 ( -9.041 -25.549 0.000) 27.102 14.292 ( -9.041 25.549 0.000) 27.102 14.721 ( 6.834 -9.260 0.000) 11.509 14.721 ( 6.834 9.260 0.000) 11.509 15.423 ( -13.500 -24.661 0.000) 28.115 15.423 ( -13.500 24.661 0.000) 28.115 15.470 ( 27.430 -6.384 0.000) 28.163 15.470 ( 27.430 6.384 0.000) 28.163 16.476 ( -11.766 -20.513 0.000) 23.647 16.476 ( -11.766 20.513 0.000) 23.647 16.911 ( -12.713 -15.848 0.000) 20.317 16.911 ( -12.713 15.848 0.000) 20.317 16.949 ( 4.009 -4.832 0.000) 6.279 16.949 ( 4.009 4.832 0.000) 6.279 17.382 ( 2.428 -11.753 0.000) 12.001 17.382 ( 2.428 11.753 0.000) 12.001 17.405 ( -2.660 -1.516 0.000) 3.062 17.405 ( -2.660 1.516 0.000) 3.062 17.560 ( 3.550 -3.591 0.000) 5.050 17.560 ( 3.550 3.591 0.000) 5.050 17.765 ( -12.759 -5.546 0.000) 13.913 17.765 ( -12.759 5.546 0.000) 13.913 17.980 ( -0.681 -19.777 0.000) 19.789 17.980 ( -0.681 19.777 0.000) 19.789 18.557 ( -14.567 -8.049 0.000) 16.643 18.557 ( -14.567 8.049 0.000) 16.643 19.464 ( 9.104 -9.563 0.000) 13.203 19.464 ( 9.104 9.563 0.000) 13.203 19.485 ( 4.764 -15.029 0.000) 15.766 19.485 ( 4.764 15.029 0.000) 15.766 20.387 ( 2.107 -0.489 0.000) 2.163 20.387 ( 2.107 0.489 0.000) 2.163 20.398 ( 1.217 -2.506 0.000) 2.785 20.398 ( 1.217 2.506 0.000) 2.785 20.694 ( 5.186 -3.695 0.000) 6.368 20.694 ( 5.186 3.695 0.000) 6.368 20.985 ( -4.776 -3.793 0.000) 6.099 20.985 ( -4.776 3.793 0.000) 6.099 21.190 ( 6.532 -1.829 0.000) 6.784 21.190 ( 6.532 1.829 0.000) 6.784 21.262 ( 6.940 -6.030 0.000) 9.193 21.262 ( 6.940 6.030 0.000) 9.193 21.463 ( -5.120 -11.763 0.000) 12.829 21.463 ( -5.120 11.763 0.000) 12.829 21.538 ( -5.710 -3.447 0.000) 6.670 21.538 ( -5.710 3.447 0.000) 6.670 21.818 ( -3.110 -3.462 0.000) 4.654 21.818 ( -3.110 3.462 0.000) 4.654 21.838 ( -3.419 -5.369 0.000) 6.365 21.838 ( -3.419 5.369 0.000) 6.365 22.703 ( 15.551 -5.245 0.000) 16.412 22.703 ( 15.551 5.245 0.000) 16.412 22.766 ( 5.168 -10.550 0.000) 11.747 22.766 ( 5.168 10.550 0.000) 11.747 22.969 ( -1.311 -1.863 0.000) 2.279 22.969 ( -1.311 1.863 0.000) 2.279 22.977 ( -4.182 -5.895 0.000) 7.228 22.977 ( -4.182 5.895 0.000) 7.228 23.195 ( 4.810 -0.498 0.000) 4.835 23.195 ( 4.810 0.498 0.000) 4.835 23.340 ( -0.468 -2.796 0.000) 2.835 23.340 ( -0.468 2.796 0.000) 2.835 23.578 ( -1.788 -9.275 0.000) 9.446 23.578 ( -1.788 9.275 0.000) 9.446 23.580 ( -1.203 -2.395 0.000) 2.680 23.580 ( -1.203 2.395 0.000) 2.680 24.018 ( -10.950 -10.429 0.000) 15.121 24.018 ( -10.950 10.429 0.000) 15.121 24.043 ( -6.953 -6.196 0.000) 9.313 24.043 ( -6.953 6.196 0.000) 9.313 24.236 ( 5.153 -17.252 0.000) 18.005 24.236 ( 5.153 17.252 0.000) 18.005 24.587 ( -7.380 -1.064 0.000) 7.457 24.587 ( -7.380 1.064 0.000) 7.457 24.872 ( -1.041 -6.398 0.000) 6.482 24.872 ( -1.041 6.398 0.000) 6.482 24.894 ( -8.408 -9.155 0.000) 12.430 24.894 ( -8.408 9.155 0.000) 12.430 26.598 ( 9.236 -9.245 0.000) 13.068 26.598 ( 9.236 9.245 0.000) 13.068 26.687 ( 7.652 -21.621 0.000) 22.935 26.687 ( 7.652 21.621 0.000) 22.935 27.201 ( 1.087 -3.827 0.000) 3.979 27.201 ( 1.087 3.827 0.000) 3.979 27.235 ( 3.026 -3.778 0.000) 4.840 27.235 ( 3.026 3.778 0.000) 4.840 30.193 ( 12.181 -8.726 0.000) 14.984 30.193 ( 12.181 8.726 0.000) 14.984 30.698 ( -12.001 -4.531 0.000) 12.828 30.698 ( -12.001 4.531 0.000) 12.828 31.064 ( 4.854 -3.837 0.000) 6.187 31.064 ( 4.854 3.837 0.000) 6.187 31.272 ( -3.871 -1.188 0.000) 4.050 31.272 ( -3.871 1.188 0.000) 4.050 31.453 ( 2.001 -10.229 0.000) 10.423 31.453 ( 2.001 10.229 0.000) 10.423 31.474 ( 0.910 -3.235 0.000) 3.361 31.474 ( 0.910 3.235 0.000) 3.361 36.256 ( 3.287 -5.836 0.000) 6.698 36.256 ( 3.287 5.836 0.000) 6.698 36.469 ( -5.654 -1.662 0.000) 5.893 36.469 ( -5.654 1.662 0.000) 5.893 37.344 ( 25.448 -20.140 0.000) 32.453 37.344 ( 25.448 20.140 0.000) 32.453 38.190 ( -16.528 -17.999 0.000) 24.436 38.190 ( -16.528 17.999 0.000) 24.436 39.669 ( 10.483 -1.863 0.000) 10.648 39.669 ( 10.483 1.863 0.000) 10.648 40.075 ( -9.422 -0.573 0.000) 9.440 40.075 ( -9.422 0.573 0.000) 9.440 40.910 ( 11.869 -9.233 0.000) 15.037 40.910 ( 11.869 9.233 0.000) 15.037 41.048 ( 3.134 -18.702 0.000) 18.963 41.048 ( 3.134 18.702 0.000) 18.963 41.394 ( -1.309 -17.853 0.000) 17.901 41.394 ( -1.309 17.853 0.000) 17.901 41.783 ( -19.774 -14.344 0.000) 24.429 41.783 ( -19.774 14.344 0.000) 24.429 43.213 ( 3.298 -15.786 0.000) 16.127 43.213 ( 3.298 15.786 0.000) 16.127 43.520 ( -13.569 -19.383 0.000) 23.661 43.520 ( -13.569 19.383 0.000) 23.661 ======================= Grid point 20 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -2.779 -0.716 0.000) 2.870 1.686 ( -2.779 0.716 0.000) 2.870 1.686 ( 2.779 -0.716 0.000) 2.870 1.686 ( 2.779 0.716 0.000) 2.870 1.870 ( -1.375 -6.343 0.000) 6.490 1.870 ( 1.375 -6.343 0.000) 6.490 1.870 ( -1.375 6.343 0.000) 6.490 1.870 ( 1.375 6.343 0.000) 6.490 2.310 ( -9.131 -2.441 0.000) 9.452 2.310 ( -9.131 2.441 0.000) 9.452 2.310 ( 9.131 -2.441 0.000) 9.452 2.310 ( 9.131 2.441 0.000) 9.452 3.219 ( -21.696 -8.944 0.000) 23.467 3.219 ( -21.696 8.944 0.000) 23.467 3.219 ( 21.696 -8.944 0.000) 23.467 3.219 ( 21.696 8.944 0.000) 23.467 3.575 ( -15.912 -10.331 0.000) 18.972 3.575 ( 15.912 -10.331 0.000) 18.972 3.575 ( -15.912 10.331 0.000) 18.972 3.575 ( 15.912 10.331 0.000) 18.972 4.554 ( -17.494 -22.684 0.000) 28.646 4.554 ( 17.494 -22.684 0.000) 28.646 4.554 ( -17.494 22.684 0.000) 28.646 4.554 ( 17.494 22.684 0.000) 28.646 5.487 ( -4.192 -5.669 0.000) 7.051 5.487 ( 4.192 -5.669 0.000) 7.051 5.487 ( -4.192 5.669 0.000) 7.051 5.487 ( 4.192 5.669 0.000) 7.051 5.693 ( -0.049 -8.830 0.000) 8.830 5.693 ( 0.049 -8.830 0.000) 8.830 5.693 ( -0.049 8.830 0.000) 8.830 5.693 ( 0.049 8.830 0.000) 8.830 6.082 ( -4.025 -8.922 0.000) 9.788 6.082 ( 4.025 -8.922 0.000) 9.788 6.082 ( -4.025 8.922 0.000) 9.788 6.082 ( 4.025 8.922 0.000) 9.788 6.806 ( -22.670 -4.013 0.000) 23.022 6.806 ( -22.670 4.013 0.000) 23.022 6.806 ( 22.670 -4.013 0.000) 23.022 6.806 ( 22.670 4.013 0.000) 23.022 7.364 ( -4.303 -9.409 0.000) 10.346 7.364 ( 4.303 -9.409 0.000) 10.346 7.364 ( -4.303 9.409 0.000) 10.346 7.364 ( 4.303 9.409 0.000) 10.346 7.817 ( -17.560 -7.587 0.000) 19.129 7.817 ( -17.560 7.587 0.000) 19.129 7.817 ( 17.560 -7.587 0.000) 19.129 7.817 ( 17.560 7.587 0.000) 19.129 8.878 ( -3.486 -16.257 0.000) 16.627 8.878 ( 3.486 -16.257 0.000) 16.627 8.878 ( -3.486 16.257 0.000) 16.627 8.878 ( 3.486 16.257 0.000) 16.627 9.548 ( -2.394 -11.291 0.000) 11.542 9.548 ( 2.394 -11.291 0.000) 11.542 9.548 ( -2.394 11.291 0.000) 11.542 9.548 ( 2.394 11.291 0.000) 11.542 10.036 ( -17.443 -10.399 0.000) 20.308 10.036 ( 17.443 -10.399 0.000) 20.308 10.036 ( -17.443 10.399 0.000) 20.308 10.036 ( 17.443 10.399 0.000) 20.308 10.598 ( -0.378 -8.296 0.000) 8.304 10.598 ( 0.378 -8.296 0.000) 8.304 10.598 ( -0.378 8.296 0.000) 8.304 10.598 ( 0.378 8.296 0.000) 8.304 11.183 ( -4.735 -2.257 0.000) 5.245 11.183 ( -4.735 2.257 0.000) 5.245 11.183 ( 4.735 -2.257 0.000) 5.245 11.183 ( 4.735 2.257 0.000) 5.245 11.509 ( -5.685 -11.120 0.000) 12.489 11.509 ( 5.685 -11.120 0.000) 12.489 11.509 ( -5.685 11.120 0.000) 12.489 11.509 ( 5.685 11.120 0.000) 12.489 12.034 ( -3.632 -12.107 0.000) 12.640 12.034 ( 3.632 -12.107 0.000) 12.640 12.034 ( -3.632 12.107 0.000) 12.640 12.034 ( 3.632 12.107 0.000) 12.640 12.805 ( -10.072 -16.091 0.000) 18.984 12.805 ( 10.072 -16.091 0.000) 18.984 12.805 ( -10.072 16.091 0.000) 18.984 12.805 ( 10.072 16.091 0.000) 18.984 14.076 ( -14.797 -24.987 0.000) 29.039 14.076 ( 14.797 -24.987 0.000) 29.039 14.076 ( -14.797 24.987 0.000) 29.039 14.076 ( 14.797 24.987 0.000) 29.039 15.025 ( -22.640 -18.428 0.000) 29.192 15.025 ( 22.640 -18.428 0.000) 29.192 15.025 ( -22.640 18.428 0.000) 29.192 15.025 ( 22.640 18.428 0.000) 29.192 16.038 ( -28.821 -12.566 0.000) 31.441 16.038 ( -28.821 12.566 0.000) 31.441 16.038 ( 28.821 -12.566 0.000) 31.441 16.038 ( 28.821 12.566 0.000) 31.441 16.917 ( -6.644 -16.375 0.000) 17.671 16.917 ( 6.644 -16.375 0.000) 17.671 16.917 ( -6.644 16.375 0.000) 17.671 16.917 ( 6.644 16.375 0.000) 17.671 17.375 ( -0.719 -2.757 0.000) 2.849 17.375 ( 0.719 -2.757 0.000) 2.849 17.375 ( -0.719 2.757 0.000) 2.849 17.375 ( 0.719 2.757 0.000) 2.849 17.576 ( -3.901 -3.940 0.000) 5.545 17.576 ( 3.901 -3.940 0.000) 5.545 17.576 ( -3.901 3.940 0.000) 5.545 17.576 ( 3.901 3.940 0.000) 5.545 18.237 ( -18.158 -16.544 0.000) 24.565 18.237 ( 18.158 -16.544 0.000) 24.565 18.237 ( -18.158 16.544 0.000) 24.565 18.237 ( 18.158 16.544 0.000) 24.565 19.548 ( -0.416 -10.697 0.000) 10.705 19.548 ( 0.416 -10.697 0.000) 10.705 19.548 ( -0.416 10.697 0.000) 10.705 19.548 ( 0.416 10.697 0.000) 10.705 20.410 ( -0.203 -1.438 0.000) 1.452 20.410 ( 0.203 -1.438 0.000) 1.452 20.410 ( -0.203 1.438 0.000) 1.452 20.410 ( 0.203 1.438 0.000) 1.452 20.835 ( -8.742 -2.310 0.000) 9.042 20.835 ( -8.742 2.310 0.000) 9.042 20.835 ( 8.742 -2.310 0.000) 9.042 20.835 ( 8.742 2.310 0.000) 9.042 21.312 ( -3.037 -5.028 0.000) 5.874 21.312 ( 3.037 -5.028 0.000) 5.874 21.312 ( -3.037 5.028 0.000) 5.874 21.312 ( 3.037 5.028 0.000) 5.874 21.433 ( -3.011 -6.490 0.000) 7.154 21.433 ( 3.011 -6.490 0.000) 7.154 21.433 ( -3.011 6.490 0.000) 7.154 21.433 ( 3.011 6.490 0.000) 7.154 21.787 ( -0.551 -4.887 0.000) 4.918 21.787 ( 0.551 -4.887 0.000) 4.918 21.787 ( -0.551 4.887 0.000) 4.918 21.787 ( 0.551 4.887 0.000) 4.918 22.880 ( -4.182 -7.058 0.000) 8.204 22.880 ( 4.182 -7.058 0.000) 8.204 22.880 ( -4.182 7.058 0.000) 8.204 22.880 ( 4.182 7.058 0.000) 8.204 22.912 ( -4.175 -4.656 0.000) 6.253 22.912 ( 4.175 -4.656 0.000) 6.253 22.912 ( -4.175 4.656 0.000) 6.253 22.912 ( 4.175 4.656 0.000) 6.253 23.302 ( -4.844 -2.128 0.000) 5.290 23.302 ( -4.844 2.128 0.000) 5.290 23.302 ( 4.844 -2.128 0.000) 5.290 23.302 ( 4.844 2.128 0.000) 5.290 23.565 ( -0.229 -5.780 0.000) 5.785 23.565 ( 0.229 -5.780 0.000) 5.785 23.565 ( -0.229 5.780 0.000) 5.785 23.565 ( 0.229 5.780 0.000) 5.785 23.911 ( -2.518 -6.622 0.000) 7.085 23.911 ( 2.518 -6.622 0.000) 7.085 23.911 ( -2.518 6.622 0.000) 7.085 23.911 ( 2.518 6.622 0.000) 7.085 24.410 ( -10.485 -10.875 0.000) 15.106 24.410 ( 10.485 -10.875 0.000) 15.106 24.410 ( -10.485 10.875 0.000) 15.106 24.410 ( 10.485 10.875 0.000) 15.106 24.841 ( -1.256 -8.878 0.000) 8.967 24.841 ( 1.256 -8.878 0.000) 8.967 24.841 ( -1.256 8.878 0.000) 8.967 24.841 ( 1.256 8.878 0.000) 8.967 26.729 ( -3.006 -15.974 0.000) 16.255 26.729 ( 3.006 -15.974 0.000) 16.255 26.729 ( -3.006 15.974 0.000) 16.255 26.729 ( 3.006 15.974 0.000) 16.255 27.232 ( -1.848 -1.921 0.000) 2.665 27.232 ( 1.848 -1.921 0.000) 2.665 27.232 ( -1.848 1.921 0.000) 2.665 27.232 ( 1.848 1.921 0.000) 2.665 30.447 ( -13.264 -6.991 0.000) 14.993 30.447 ( 13.264 -6.991 0.000) 14.993 30.447 ( -13.264 6.991 0.000) 14.993 30.447 ( 13.264 6.991 0.000) 14.993 31.173 ( -5.771 -2.073 0.000) 6.132 31.173 ( -5.771 2.073 0.000) 6.132 31.173 ( 5.771 -2.073 0.000) 6.132 31.173 ( 5.771 2.073 0.000) 6.132 31.479 ( -0.547 -7.307 0.000) 7.327 31.479 ( 0.547 -7.307 0.000) 7.327 31.479 ( -0.547 7.307 0.000) 7.327 31.479 ( 0.547 7.307 0.000) 7.327 36.351 ( -5.943 -3.671 0.000) 6.985 36.351 ( 5.943 -3.671 0.000) 6.985 36.351 ( -5.943 3.671 0.000) 6.985 36.351 ( 5.943 3.671 0.000) 6.985 37.811 ( -21.911 -19.801 0.000) 29.533 37.811 ( 21.911 -19.801 0.000) 29.533 37.811 ( -21.911 19.801 0.000) 29.533 37.811 ( 21.911 19.801 0.000) 29.533 39.878 ( -10.573 -1.375 0.000) 10.662 39.878 ( -10.573 1.375 0.000) 10.662 39.878 ( 10.573 -1.375 0.000) 10.662 39.878 ( 10.573 1.375 0.000) 10.662 41.072 ( -2.599 -16.110 0.000) 16.318 41.072 ( 2.599 -16.110 0.000) 16.318 41.072 ( -2.599 16.110 0.000) 16.318 41.072 ( 2.599 16.110 0.000) 16.318 41.463 ( -10.739 -15.353 0.000) 18.736 41.463 ( 10.739 -15.353 0.000) 18.736 41.463 ( -10.739 15.353 0.000) 18.736 41.463 ( 10.739 15.353 0.000) 18.736 43.316 ( -7.537 -17.077 0.000) 18.666 43.316 ( 7.537 -17.077 0.000) 18.666 43.316 ( -7.537 17.077 0.000) 18.666 43.316 ( 7.537 17.077 0.000) 18.666 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.000 0.000 35.602) 35.602 0.723 ( 0.000 0.000 35.062) 35.062 0.874 ( 0.000 0.000 40.543) 40.543 1.544 ( 0.000 0.000 6.942) 6.942 1.750 ( 0.000 0.000 6.511) 6.511 1.805 ( 0.000 0.000 0.387) 0.387 1.828 ( 0.000 0.000 3.290) 3.290 1.849 ( 0.000 0.000 -0.053) 0.053 1.927 ( 0.000 0.000 1.123) 1.123 2.225 ( 0.000 0.000 1.021) 1.021 2.268 ( 0.000 0.000 -0.146) 0.146 2.298 ( 0.000 0.000 5.083) 5.083 2.575 ( 0.000 0.000 1.858) 1.858 2.635 ( 0.000 0.000 2.572) 2.572 2.656 ( 0.000 0.000 3.782) 3.782 2.979 ( 0.000 0.000 9.732) 9.732 3.021 ( 0.000 0.000 0.025) 0.025 3.169 ( 0.000 0.000 13.260) 13.260 4.108 ( 0.000 0.000 4.665) 4.665 4.144 ( 0.000 0.000 -2.407) 2.407 4.225 ( 0.000 0.000 7.145) 7.145 4.457 ( 0.000 0.000 10.476) 10.476 4.859 ( 0.000 0.000 -2.313) 2.313 4.966 ( 0.000 0.000 0.908) 0.908 4.985 ( 0.000 0.000 -11.617) 11.617 5.130 ( 0.000 0.000 -2.386) 2.386 5.142 ( 0.000 0.000 -7.345) 7.345 5.225 ( 0.000 0.000 9.376) 9.376 5.594 ( 0.000 0.000 2.149) 2.149 5.657 ( 0.000 0.000 -20.331) 20.331 6.029 ( 0.000 0.000 -0.557) 0.557 6.030 ( 0.000 0.000 -8.742) 8.742 6.408 ( 0.000 0.000 -4.053) 4.053 6.425 ( 0.000 0.000 -2.700) 2.700 6.573 ( 0.000 0.000 0.861) 0.861 6.625 ( 0.000 0.000 7.429) 7.429 6.938 ( 0.000 0.000 4.464) 4.464 7.087 ( 0.000 0.000 0.592) 0.592 7.093 ( 0.000 0.000 -12.021) 12.021 7.188 ( 0.000 0.000 11.496) 11.496 7.229 ( 0.000 0.000 -4.967) 4.967 7.255 ( 0.000 0.000 -0.366) 0.366 7.263 ( 0.000 0.000 9.224) 9.224 7.318 ( 0.000 0.000 14.498) 14.498 7.388 ( 0.000 0.000 5.898) 5.898 7.861 ( 0.000 0.000 7.681) 7.681 7.938 ( 0.000 0.000 -6.635) 6.635 8.001 ( 0.000 0.000 -10.835) 10.835 8.176 ( 0.000 0.000 -16.638) 16.638 8.645 ( 0.000 0.000 -7.238) 7.238 9.080 ( 0.000 0.000 -7.188) 7.188 9.102 ( 0.000 0.000 -0.716) 0.716 9.301 ( 0.000 0.000 -4.742) 4.742 9.302 ( 0.000 0.000 -3.194) 3.194 9.609 ( 0.000 0.000 -7.273) 7.273 9.686 ( 0.000 0.000 13.642) 13.642 9.765 ( 0.000 0.000 -3.438) 3.438 9.916 ( 0.000 0.000 -3.547) 3.547 10.049 ( 0.000 0.000 -18.092) 18.092 10.190 ( 0.000 0.000 -21.774) 21.774 10.267 ( 0.000 0.000 -12.516) 12.516 10.388 ( 0.000 0.000 0.874) 0.874 10.523 ( 0.000 0.000 -4.032) 4.032 10.734 ( 0.000 0.000 -18.226) 18.226 11.041 ( 0.000 0.000 -0.571) 0.571 11.285 ( 0.000 0.000 10.855) 10.855 11.301 ( 0.000 0.000 32.952) 32.952 11.323 ( 0.000 0.000 -8.784) 8.784 11.406 ( 0.000 0.000 0.535) 0.535 11.707 ( 0.000 0.000 -18.601) 18.601 11.761 ( 0.000 0.000 -1.440) 1.440 11.780 ( 0.000 0.000 -11.454) 11.454 11.843 ( 0.000 0.000 -5.296) 5.296 11.997 ( 0.000 0.000 -10.254) 10.254 12.332 ( 0.000 0.000 17.987) 17.987 12.371 ( 0.000 0.000 15.223) 15.223 12.538 ( 0.000 0.000 7.834) 7.834 12.543 ( 0.000 0.000 14.188) 14.188 12.856 ( 0.000 0.000 25.575) 25.575 13.107 ( 0.000 0.000 -0.804) 0.804 13.410 ( 0.000 0.000 13.920) 13.920 13.754 ( 0.000 0.000 -16.892) 16.892 14.045 ( 0.000 0.000 8.131) 8.131 14.721 ( 0.000 0.000 1.528) 1.528 14.849 ( 0.000 0.000 1.690) 1.690 14.968 ( 0.000 0.000 -3.501) 3.501 15.163 ( 0.000 0.000 0.863) 0.863 15.316 ( 0.000 0.000 6.604) 6.604 15.395 ( 0.000 0.000 -10.245) 10.245 15.447 ( 0.000 0.000 6.229) 6.229 16.230 ( 0.000 0.000 9.796) 9.796 16.436 ( 0.000 0.000 1.534) 1.534 16.703 ( 0.000 0.000 -2.047) 2.047 16.760 ( 0.000 0.000 1.662) 1.662 16.787 ( 0.000 0.000 2.278) 2.278 17.144 ( 0.000 0.000 -1.129) 1.129 17.266 ( 0.000 0.000 -3.900) 3.900 17.389 ( 0.000 0.000 -0.870) 0.870 17.492 ( 0.000 0.000 6.655) 6.655 17.540 ( 0.000 0.000 -13.617) 13.617 17.784 ( 0.000 0.000 -8.261) 8.261 17.903 ( 0.000 0.000 4.529) 4.529 18.039 ( 0.000 0.000 -0.309) 0.309 18.175 ( 0.000 0.000 4.232) 4.232 18.249 ( 0.000 0.000 5.295) 5.295 18.533 ( 0.000 0.000 -0.985) 0.985 18.586 ( 0.000 0.000 0.481) 0.481 18.705 ( 0.000 0.000 -4.824) 4.824 18.812 ( 0.000 0.000 -0.409) 0.409 19.125 ( 0.000 0.000 -3.329) 3.329 19.356 ( 0.000 0.000 13.440) 13.440 20.083 ( 0.000 0.000 0.822) 0.822 20.216 ( 0.000 0.000 -0.507) 0.507 20.258 ( 0.000 0.000 1.155) 1.155 20.431 ( 0.000 0.000 -0.590) 0.590 20.521 ( 0.000 0.000 -4.720) 4.720 20.672 ( 0.000 0.000 -3.741) 3.741 20.731 ( 0.000 0.000 -2.826) 2.826 20.732 ( 0.000 0.000 5.424) 5.424 20.822 ( 0.000 0.000 -2.364) 2.364 20.925 ( 0.000 0.000 -7.640) 7.640 20.932 ( 0.000 0.000 -0.434) 0.434 21.159 ( 0.000 0.000 -3.827) 3.827 21.216 ( 0.000 0.000 -0.501) 0.501 21.302 ( 0.000 0.000 -13.745) 13.745 21.387 ( 0.000 0.000 2.123) 2.123 21.536 ( 0.000 0.000 3.064) 3.064 21.606 ( 0.000 0.000 -14.083) 14.083 21.709 ( 0.000 0.000 -2.321) 2.321 21.897 ( 0.000 0.000 -3.902) 3.902 21.943 ( 0.000 0.000 -2.406) 2.406 22.054 ( 0.000 0.000 8.956) 8.956 22.327 ( 0.000 0.000 -0.128) 0.128 22.456 ( 0.000 0.000 1.555) 1.555 22.531 ( 0.000 0.000 8.946) 8.946 22.642 ( 0.000 0.000 16.887) 16.887 22.884 ( 0.000 0.000 6.054) 6.054 22.969 ( 0.000 0.000 -4.405) 4.405 23.021 ( 0.000 0.000 -2.869) 2.869 23.083 ( 0.000 0.000 3.894) 3.894 23.130 ( 0.000 0.000 -7.505) 7.505 23.267 ( 0.000 0.000 2.943) 2.943 23.374 ( 0.000 0.000 -4.337) 4.337 23.409 ( 0.000 0.000 -0.123) 0.123 23.483 ( 0.000 0.000 6.397) 6.397 23.534 ( 0.000 0.000 -3.424) 3.424 23.610 ( 0.000 0.000 8.666) 8.666 23.635 ( 0.000 0.000 0.674) 0.674 23.754 ( 0.000 0.000 3.227) 3.227 24.060 ( 0.000 0.000 3.405) 3.405 24.290 ( 0.000 0.000 0.420) 0.420 24.293 ( 0.000 0.000 -0.920) 0.920 24.502 ( 0.000 0.000 3.759) 3.759 24.595 ( 0.000 0.000 -18.134) 18.134 24.625 ( 0.000 0.000 -3.542) 3.542 24.787 ( 0.000 0.000 0.021) 0.021 25.207 ( 0.000 0.000 10.114) 10.114 25.254 ( 0.000 0.000 -2.424) 2.424 25.255 ( 0.000 0.000 -1.475) 1.475 25.565 ( 0.000 0.000 3.068) 3.068 26.054 ( 0.000 0.000 -0.788) 0.788 26.079 ( 0.000 0.000 2.929) 2.929 26.240 ( 0.000 0.000 -3.075) 3.075 26.886 ( 0.000 0.000 -5.487) 5.487 27.053 ( 0.000 0.000 5.194) 5.194 27.091 ( 0.000 0.000 6.265) 6.265 27.334 ( 0.000 0.000 -0.218) 0.218 27.461 ( 0.000 0.000 -11.110) 11.110 29.799 ( 0.000 0.000 7.631) 7.631 30.415 ( 0.000 0.000 -1.742) 1.742 30.685 ( 0.000 0.000 1.361) 1.361 30.717 ( 0.000 0.000 3.467) 3.467 31.003 ( 0.000 0.000 2.346) 2.346 31.039 ( 0.000 0.000 2.418) 2.418 31.218 ( 0.000 0.000 -0.684) 0.684 31.289 ( 0.000 0.000 2.664) 2.664 31.340 ( 0.000 0.000 -0.844) 0.844 31.386 ( 0.000 0.000 -1.577) 1.577 31.550 ( 0.000 0.000 2.409) 2.409 31.686 ( 0.000 0.000 0.837) 0.837 35.949 ( 0.000 0.000 -1.303) 1.303 36.233 ( 0.000 0.000 -11.067) 11.067 36.274 ( 0.000 0.000 -6.828) 6.828 36.446 ( 0.000 0.000 -5.608) 5.608 36.766 ( 0.000 0.000 12.154) 12.154 37.189 ( 0.000 0.000 8.392) 8.392 38.138 ( 0.000 0.000 -4.571) 4.571 38.878 ( 0.000 0.000 -9.752) 9.752 39.421 ( 0.000 0.000 2.251) 2.251 39.514 ( 0.000 0.000 5.564) 5.564 39.740 ( 0.000 0.000 -1.207) 1.207 40.229 ( 0.000 0.000 1.625) 1.625 40.250 ( 0.000 0.000 -8.660) 8.660 40.584 ( 0.000 0.000 2.395) 2.395 40.598 ( 0.000 0.000 3.126) 3.126 41.045 ( 0.000 0.000 -2.419) 2.419 41.360 ( 0.000 0.000 -13.437) 13.437 41.844 ( 0.000 0.000 11.324) 11.324 42.291 ( 0.000 0.000 -17.192) 17.192 42.649 ( 0.000 0.000 12.431) 12.431 42.708 ( 0.000 0.000 4.915) 4.915 42.912 ( 0.000 0.000 11.676) 11.676 43.394 ( 0.000 0.000 -7.865) 7.865 43.953 ( 0.000 0.000 -12.653) 12.653 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 33.942 0.000 11.417) 35.811 1.175 ( 31.521 0.000 14.712) 34.785 1.308 ( 18.477 0.000 13.246) 22.735 1.635 ( 6.009 0.000 3.029) 6.729 1.806 ( -0.477 0.000 0.518) 0.704 1.814 ( -0.983 0.000 2.819) 2.986 1.856 ( 1.453 0.000 0.029) 1.453 1.937 ( 13.263 0.000 8.012) 15.495 1.938 ( 2.168 0.000 1.408) 2.585 2.181 ( -0.572 0.000 3.264) 3.313 2.271 ( 3.795 0.000 1.174) 3.973 2.342 ( 7.322 0.000 2.991) 7.909 2.590 ( -1.915 0.000 -0.009) 1.915 2.791 ( 10.143 0.000 1.036) 10.196 2.815 ( 2.395 0.000 4.024) 4.682 2.935 ( 11.642 0.000 10.415) 15.620 2.986 ( 1.735 0.000 4.899) 5.197 3.532 ( 39.168 0.000 17.066) 42.724 4.005 ( -13.676 0.000 4.803) 14.495 4.098 ( -5.620 0.000 -1.482) 5.813 4.355 ( -9.585 0.000 8.929) 13.100 4.420 ( 15.125 0.000 3.880) 15.615 4.795 ( -4.280 0.000 -1.648) 4.586 4.956 ( -4.336 0.000 8.995) 9.985 5.002 ( 2.574 0.000 -12.306) 12.573 5.145 ( 1.875 0.000 -2.215) 2.902 5.183 ( 4.953 0.000 -2.992) 5.786 5.255 ( 4.590 0.000 -1.453) 4.814 5.432 ( -4.410 0.000 3.900) 5.887 5.766 ( 5.086 0.000 -13.694) 14.608 5.918 ( -7.920 0.000 -3.963) 8.856 6.133 ( -15.679 0.000 -8.218) 17.702 6.384 ( 8.772 0.000 -1.289) 8.866 6.452 ( -9.868 0.000 -3.558) 10.490 6.511 ( -15.002 0.000 -0.192) 15.003 6.560 ( 4.847 0.000 3.669) 6.079 6.566 ( -13.835 0.000 -9.646) 16.866 6.654 ( -20.104 0.000 -0.748) 20.118 6.869 ( -18.330 0.000 -0.338) 18.333 7.144 ( 5.869 0.000 -2.339) 6.318 7.279 ( 4.874 0.000 17.350) 18.022 7.410 ( 6.940 0.000 3.359) 7.710 7.445 ( 10.985 0.000 -1.433) 11.078 7.561 ( -5.420 0.000 10.704) 11.998 7.568 ( 12.243 0.000 11.013) 16.467 7.772 ( 9.929 0.000 13.848) 17.040 8.092 ( 8.198 0.000 -9.280) 12.383 8.105 ( -7.394 0.000 -14.068) 15.893 8.366 ( 26.561 0.000 -11.533) 28.957 8.598 ( -5.754 0.000 -2.678) 6.347 8.760 ( -21.510 0.000 2.587) 21.665 9.001 ( -7.224 0.000 -3.077) 7.852 9.197 ( -8.026 0.000 -7.162) 10.757 9.465 ( 3.360 0.000 -8.756) 9.379 9.568 ( -4.595 0.000 -7.398) 8.709 9.665 ( 9.208 0.000 3.505) 9.853 9.773 ( -3.055 0.000 -1.964) 3.632 9.833 ( -25.159 0.000 -14.431) 29.004 10.079 ( 9.819 0.000 -12.572) 15.952 10.213 ( 16.554 0.000 -8.150) 18.451 10.325 ( 5.104 0.000 -18.226) 18.927 10.443 ( 7.472 0.000 2.135) 7.771 10.710 ( 10.557 0.000 -4.776) 11.587 10.743 ( 0.987 0.000 -17.726) 17.753 11.149 ( 5.364 0.000 0.119) 5.365 11.253 ( -3.443 0.000 5.132) 6.180 11.340 ( -3.791 0.000 -4.300) 5.733 11.414 ( -5.018 0.000 1.779) 5.325 11.417 ( 6.109 0.000 15.872) 17.007 11.582 ( -12.541 0.000 -15.135) 19.655 11.608 ( 11.281 0.000 5.493) 12.547 11.714 ( -8.226 0.000 -9.000) 12.193 11.904 ( 1.284 0.000 4.666) 4.839 11.965 ( -0.676 0.000 -9.464) 9.488 12.235 ( -11.133 0.000 13.751) 17.693 12.391 ( -12.290 0.000 14.527) 19.028 12.401 ( 6.355 0.000 13.589) 15.001 12.570 ( 0.363 0.000 2.274) 2.302 12.815 ( -5.148 0.000 21.249) 21.863 13.309 ( -8.903 0.000 10.507) 13.771 13.465 ( 27.055 0.000 -5.932) 27.698 13.567 ( -15.734 0.000 -9.085) 18.169 14.065 ( 5.422 0.000 16.300) 17.178 14.650 ( -6.356 0.000 -0.524) 6.378 14.742 ( 1.208 0.000 1.596) 2.002 15.086 ( -7.484 0.000 2.781) 7.984 15.143 ( 18.696 0.000 2.319) 18.839 15.183 ( -6.242 0.000 2.697) 6.800 15.687 ( 23.378 0.000 -2.598) 23.522 15.786 ( 17.241 0.000 -5.393) 18.064 16.190 ( -17.439 0.000 2.692) 17.646 16.198 ( -6.220 0.000 8.146) 10.249 16.726 ( -3.774 0.000 2.114) 4.326 16.787 ( 5.812 0.000 0.467) 5.830 16.879 ( 9.601 0.000 2.363) 9.888 17.233 ( -2.029 0.000 -5.388) 5.757 17.322 ( 3.945 0.000 -3.652) 5.376 17.344 ( 3.918 0.000 -1.400) 4.161 17.449 ( -2.460 0.000 3.151) 3.998 17.491 ( -5.427 0.000 -8.422) 10.019 17.648 ( -11.884 0.000 -7.437) 14.019 17.816 ( -8.453 0.000 3.638) 9.203 17.888 ( -14.926 0.000 -0.608) 14.939 18.020 ( -13.515 0.000 7.496) 15.454 18.105 ( -10.369 0.000 4.066) 11.138 18.643 ( 3.807 0.000 -6.306) 7.366 18.686 ( 9.352 0.000 -1.796) 9.523 18.750 ( 5.543 0.000 -3.997) 6.833 18.817 ( -10.152 0.000 -1.375) 10.245 18.894 ( -5.912 0.000 0.697) 5.953 19.523 ( 13.142 0.000 12.693) 18.271 20.036 ( -10.492 0.000 1.484) 10.596 20.299 ( 6.997 0.000 -10.620) 12.718 20.343 ( 3.823 0.000 -0.066) 3.824 20.447 ( 0.587 0.000 -0.327) 0.672 20.559 ( 2.372 0.000 -3.215) 3.995 20.681 ( 0.685 0.000 -4.152) 4.208 20.689 ( -2.058 0.000 2.877) 3.537 20.725 ( -1.102 0.000 -2.015) 2.297 20.892 ( 5.264 0.000 -1.146) 5.388 20.961 ( 3.273 0.000 -1.794) 3.733 20.988 ( 4.345 0.000 -4.422) 6.200 21.144 ( -1.092 0.000 -2.984) 3.178 21.241 ( -6.260 0.000 -11.840) 13.393 21.296 ( 6.584 0.000 -2.221) 6.948 21.382 ( -1.736 0.000 3.931) 4.297 21.568 ( -0.418 0.000 -11.955) 11.963 21.754 ( 18.865 0.000 -7.483) 20.295 21.855 ( -4.266 0.000 -5.867) 7.254 21.911 ( -0.614 0.000 0.515) 0.801 22.044 ( 20.706 0.000 -9.098) 22.617 22.072 ( -0.100 0.000 8.467) 8.467 22.313 ( -8.538 0.000 6.450) 10.700 22.327 ( 0.797 0.000 2.036) 2.186 22.575 ( 1.694 0.000 -0.314) 1.723 22.625 ( 0.947 0.000 12.134) 12.171 22.956 ( 6.558 0.000 8.169) 10.475 23.035 ( 0.960 0.000 -2.175) 2.377 23.051 ( 3.394 0.000 -1.983) 3.931 23.081 ( -1.597 0.000 -8.321) 8.472 23.124 ( 3.251 0.000 2.696) 4.224 23.294 ( 3.415 0.000 5.082) 6.122 23.327 ( -2.922 0.000 -3.565) 4.609 23.413 ( -2.015 0.000 2.523) 3.229 23.463 ( -1.515 0.000 4.752) 4.988 23.485 ( 0.704 0.000 5.437) 5.482 23.604 ( 4.473 0.000 -4.024) 6.017 23.735 ( -4.053 0.000 7.051) 8.133 23.853 ( 8.323 0.000 1.041) 8.388 24.007 ( -8.131 0.000 8.698) 11.907 24.136 ( -11.499 0.000 15.399) 19.219 24.157 ( -9.423 0.000 0.677) 9.448 24.437 ( -3.165 0.000 -2.088) 3.792 24.560 ( -5.022 0.000 1.340) 5.197 24.656 ( 2.624 0.000 -10.068) 10.404 24.707 ( -20.672 0.000 15.830) 26.037 24.803 ( -0.206 0.000 -2.888) 2.896 25.066 ( -9.545 0.000 7.192) 11.952 25.211 ( -8.633 0.000 2.389) 8.958 25.359 ( -26.322 0.000 -3.068) 26.501 25.788 ( 15.879 0.000 -0.447) 15.886 26.261 ( 1.752 0.000 -2.742) 3.254 26.464 ( 12.221 0.000 -3.056) 12.597 26.923 ( 3.422 0.000 -7.081) 7.864 27.120 ( 2.731 0.000 5.418) 6.067 27.121 ( 5.747 0.000 4.528) 7.316 27.325 ( -0.909 0.000 0.088) 0.914 27.551 ( -1.549 0.000 -14.118) 14.203 29.878 ( 7.646 0.000 5.724) 9.551 30.482 ( 6.012 0.000 -2.622) 6.559 30.658 ( 0.082 0.000 2.616) 2.618 30.807 ( 6.061 0.000 1.714) 6.299 30.908 ( -9.705 0.000 2.704) 10.075 30.982 ( -1.907 0.000 2.869) 3.445 31.235 ( -5.112 0.000 -0.423) 5.130 31.290 ( 4.536 0.000 2.351) 5.110 31.313 ( -2.749 0.000 -0.391) 2.777 31.489 ( 7.221 0.000 1.939) 7.477 31.556 ( -0.742 0.000 3.176) 3.262 31.698 ( 1.536 0.000 0.783) 1.724 35.954 ( 2.044 0.000 -1.488) 2.528 36.283 ( 1.041 0.000 -5.982) 6.072 36.337 ( 6.555 0.000 -11.057) 12.854 36.532 ( 0.277 0.000 -4.964) 4.971 36.801 ( 5.514 0.000 11.871) 13.089 37.605 ( 24.951 0.000 -15.377) 29.308 38.053 ( -8.591 0.000 -3.996) 9.475 38.843 ( -5.724 0.000 -9.286) 10.908 39.502 ( 7.639 0.000 2.716) 8.108 39.764 ( 2.316 0.000 -1.039) 2.538 39.926 ( 29.089 0.000 -20.027) 35.316 40.179 ( -6.864 0.000 -1.807) 7.098 40.189 ( -3.909 0.000 2.043) 4.411 40.465 ( -1.005 0.000 -7.668) 7.733 40.827 ( 8.794 0.000 0.414) 8.804 41.034 ( 2.221 0.000 1.764) 2.836 41.267 ( -9.397 0.000 -8.953) 12.980 41.810 ( -1.231 0.000 12.261) 12.323 42.243 ( -7.043 0.000 -9.175) 11.566 42.424 ( -16.637 0.000 18.903) 25.181 42.586 ( -2.561 0.000 8.044) 8.442 42.924 ( -0.205 0.000 9.482) 9.484 43.401 ( 0.919 0.000 -7.908) 7.961 43.940 ( -5.544 0.000 -15.175) 16.156 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 19.561 0.000 1.673) 19.633 1.569 ( 9.673 0.000 3.645) 10.337 1.594 ( 11.002 0.000 4.954) 12.066 1.719 ( 2.469 0.000 2.849) 3.770 1.780 ( -1.984 0.000 1.147) 2.292 1.781 ( -2.360 0.000 2.213) 3.235 1.909 ( 3.467 0.000 -0.397) 3.490 2.003 ( 1.766 0.000 -0.651) 1.882 2.141 ( 9.528 0.000 1.237) 9.608 2.277 ( 6.624 0.000 2.831) 7.203 2.360 ( 4.984 0.000 0.721) 5.036 2.534 ( -3.539 0.000 0.010) 3.539 2.678 ( 20.535 0.000 4.608) 21.046 2.903 ( 21.267 0.000 -1.697) 21.335 2.931 ( 10.270 0.000 -1.354) 10.359 3.165 ( 12.428 0.000 5.243) 13.489 3.352 ( 14.684 0.000 8.572) 17.003 3.672 ( -10.928 0.000 4.933) 11.990 3.929 ( -10.714 0.000 1.969) 10.893 4.028 ( -15.362 0.000 5.352) 16.268 4.336 ( -21.763 0.000 -2.435) 21.898 4.537 ( 42.505 0.000 7.741) 43.204 4.593 ( -21.172 0.000 9.119) 23.052 5.073 ( 16.245 0.000 1.009) 16.277 5.119 ( 10.085 0.000 -8.760) 13.358 5.265 ( 0.693 0.000 -7.792) 7.823 5.281 ( 12.869 0.000 3.530) 13.345 5.364 ( 3.476 0.000 -7.216) 8.009 5.559 ( 17.894 0.000 6.581) 19.066 5.722 ( -4.735 0.000 -0.712) 4.788 5.806 ( -7.459 0.000 -3.311) 8.161 5.848 ( -12.279 0.000 -5.699) 13.537 5.966 ( -19.601 0.000 -1.610) 19.667 6.197 ( -8.435 0.000 -2.480) 8.792 6.201 ( -12.224 0.000 -1.797) 12.355 6.311 ( -14.760 0.000 2.109) 14.909 6.596 ( -9.684 0.000 -2.700) 10.053 6.714 ( 12.203 0.000 4.922) 13.159 6.912 ( 17.098 0.000 -7.653) 18.733 7.287 ( 2.906 0.000 1.784) 3.410 7.293 ( -3.407 0.000 11.587) 12.077 7.395 ( -19.861 0.000 11.262) 22.832 7.541 ( 4.436 0.000 10.201) 11.124 7.567 ( 2.244 0.000 0.324) 2.267 7.621 ( -6.950 0.000 10.315) 12.438 7.856 ( 5.718 0.000 2.720) 6.331 7.933 ( -7.890 0.000 -5.737) 9.756 8.265 ( 9.242 0.000 -5.106) 10.558 8.381 ( -14.248 0.000 8.137) 16.408 8.485 ( -2.385 0.000 4.498) 5.091 8.932 ( 27.339 0.000 -10.577) 29.314 8.939 ( -0.702 0.000 -12.217) 12.237 9.045 ( -6.115 0.000 -7.137) 9.398 9.373 ( -15.043 0.000 -8.732) 17.394 9.452 ( -10.138 0.000 -7.141) 12.400 9.455 ( -2.572 0.000 -4.954) 5.582 9.744 ( 3.772 0.000 -4.115) 5.582 10.001 ( 21.488 0.000 0.652) 21.498 10.211 ( 1.591 0.000 -20.078) 20.141 10.474 ( 10.007 0.000 -22.173) 24.326 10.528 ( 11.912 0.000 -6.605) 13.621 10.625 ( 8.136 0.000 -5.670) 9.917 10.763 ( 0.434 0.000 -18.059) 18.065 10.856 ( 4.309 0.000 -6.685) 7.953 11.071 ( -20.932 0.000 -3.115) 21.163 11.111 ( -8.091 0.000 -6.628) 10.459 11.284 ( 1.944 0.000 4.593) 4.987 11.293 ( -7.102 0.000 -4.410) 8.359 11.370 ( 0.214 0.000 5.314) 5.318 11.518 ( -1.142 0.000 4.643) 4.781 11.541 ( -3.687 0.000 1.300) 3.909 11.842 ( -13.582 0.000 6.754) 15.169 11.860 ( 9.467 0.000 11.207) 14.671 12.057 ( 14.053 0.000 4.355) 14.712 12.072 ( -3.008 0.000 5.685) 6.432 12.187 ( -7.762 0.000 10.111) 12.747 12.363 ( -9.658 0.000 9.427) 13.496 12.747 ( 2.679 0.000 10.935) 11.259 12.760 ( 9.988 0.000 -2.542) 10.306 12.991 ( -9.087 0.000 1.634) 9.233 13.257 ( -15.746 0.000 -0.770) 15.765 13.804 ( -6.113 0.000 4.133) 7.379 14.350 ( 20.457 0.000 0.027) 20.457 14.657 ( 16.031 0.000 9.762) 18.769 14.923 ( -9.848 0.000 11.161) 14.885 14.954 ( 18.194 0.000 2.289) 18.338 15.131 ( 0.904 0.000 2.221) 2.398 15.618 ( 20.879 0.000 -1.429) 20.928 15.807 ( -4.300 0.000 0.825) 4.379 15.830 ( -11.663 0.000 0.361) 11.669 16.021 ( -3.412 0.000 -2.424) 4.186 16.233 ( 10.703 0.000 1.670) 10.833 16.590 ( -9.431 0.000 4.089) 10.280 16.889 ( 4.194 0.000 -0.714) 4.254 17.040 ( -12.884 0.000 -5.669) 14.076 17.210 ( 10.825 0.000 1.622) 10.946 17.234 ( -8.010 0.000 -1.356) 8.124 17.359 ( -5.778 0.000 -1.337) 5.931 17.387 ( -1.386 0.000 -4.157) 4.382 17.485 ( 8.899 0.000 0.882) 8.943 17.505 ( 1.523 0.000 -4.303) 4.565 17.596 ( -12.315 0.000 2.200) 12.510 17.628 ( -7.920 0.000 -0.158) 7.922 17.821 ( -14.333 0.000 2.205) 14.501 17.861 ( -6.561 0.000 2.938) 7.188 18.343 ( -25.527 0.000 -2.351) 25.636 18.661 ( 1.934 0.000 -9.490) 9.685 18.840 ( 0.830 0.000 -7.501) 7.547 18.925 ( 12.830 0.000 -1.446) 12.911 19.054 ( 8.603 0.000 3.347) 9.231 19.749 ( 8.418 0.000 10.293) 13.297 19.891 ( -3.901 0.000 4.681) 6.093 20.353 ( 0.985 0.000 -6.052) 6.132 20.414 ( 3.565 0.000 -0.526) 3.603 20.432 ( -1.942 0.000 -0.559) 2.021 20.554 ( -2.875 0.000 -1.556) 3.269 20.677 ( -0.638 0.000 -2.805) 2.876 20.701 ( -1.154 0.000 -1.933) 2.251 20.715 ( 4.809 0.000 1.627) 5.076 20.943 ( 1.000 0.000 3.419) 3.562 21.025 ( -6.736 0.000 -2.198) 7.085 21.029 ( -0.032 0.000 -1.460) 1.461 21.134 ( 2.892 0.000 -6.835) 7.422 21.159 ( 5.253 0.000 -2.702) 5.907 21.369 ( -1.293 0.000 -4.225) 4.419 21.433 ( 4.710 0.000 -2.258) 5.223 21.487 ( -4.996 0.000 -4.853) 6.965 21.796 ( 0.435 0.000 -2.584) 2.620 21.848 ( -9.158 0.000 -0.400) 9.166 21.963 ( 4.824 0.000 4.365) 6.505 21.999 ( -6.023 0.000 1.177) 6.137 22.192 ( -4.653 0.000 7.584) 8.898 22.411 ( 12.764 0.000 -3.993) 13.374 22.511 ( 19.341 0.000 -2.534) 19.506 22.630 ( 4.602 0.000 -4.765) 6.624 22.694 ( 4.048 0.000 2.758) 4.898 22.910 ( -7.941 0.000 -6.709) 10.395 23.094 ( 5.751 0.000 11.666) 13.007 23.126 ( -1.402 0.000 -2.355) 2.741 23.179 ( 6.274 0.000 1.498) 6.450 23.183 ( 7.780 0.000 -0.810) 7.822 23.277 ( -3.371 0.000 5.988) 6.872 23.312 ( 1.102 0.000 -2.236) 2.493 23.455 ( 4.760 0.000 3.218) 5.746 23.465 ( -9.947 0.000 10.953) 14.795 23.481 ( 0.937 0.000 1.041) 1.400 23.505 ( -5.552 0.000 6.882) 8.842 23.714 ( 7.057 0.000 0.416) 7.070 23.746 ( -13.742 0.000 3.863) 14.275 23.927 ( 4.344 0.000 8.199) 9.279 24.092 ( 0.150 0.000 7.131) 7.133 24.199 ( 9.398 0.000 -2.776) 9.799 24.398 ( -1.170 0.000 -0.972) 1.521 24.435 ( -6.313 0.000 3.008) 6.993 24.544 ( -3.442 0.000 6.860) 7.675 24.624 ( -23.162 0.000 -2.186) 23.265 24.680 ( 0.722 0.000 -4.708) 4.763 24.884 ( -8.882 0.000 2.761) 9.301 24.945 ( -4.346 0.000 -1.290) 4.533 25.081 ( -8.381 0.000 -6.102) 10.367 26.063 ( 11.367 0.000 -5.400) 12.585 26.282 ( -0.331 0.000 -3.460) 3.476 26.720 ( 13.934 0.000 -4.928) 14.780 26.999 ( 3.234 0.000 -8.453) 9.051 27.187 ( 3.739 0.000 3.725) 5.278 27.214 ( 3.072 0.000 2.857) 4.196 27.299 ( -1.770 0.000 0.983) 2.024 27.415 ( -10.016 0.000 -5.687) 11.518 30.071 ( 11.531 0.000 2.494) 11.797 30.537 ( -5.999 0.000 -4.620) 7.572 30.698 ( 3.788 0.000 2.647) 4.621 30.791 ( 3.132 0.000 5.007) 5.906 30.875 ( -2.104 0.000 0.367) 2.136 30.986 ( 5.114 0.000 3.933) 6.451 31.116 ( -7.154 0.000 -0.345) 7.162 31.234 ( -5.186 0.000 0.711) 5.234 31.376 ( 4.109 0.000 3.942) 5.695 31.507 ( -2.598 0.000 3.570) 4.415 31.626 ( 5.279 0.000 2.695) 5.927 31.723 ( 0.407 0.000 1.675) 1.724 36.050 ( 7.345 0.000 -1.493) 7.495 36.320 ( 2.839 0.000 -4.152) 5.029 36.357 ( -4.462 0.000 -5.482) 7.069 36.482 ( -4.190 0.000 -2.170) 4.718 37.047 ( 18.519 0.000 5.005) 19.184 37.809 ( -16.039 0.000 -2.437) 16.223 38.018 ( 18.963 0.000 -12.332) 22.621 38.659 ( -12.515 0.000 -9.127) 15.490 39.688 ( 10.706 0.000 3.292) 11.201 39.826 ( 3.896 0.000 -0.573) 3.938 40.034 ( -7.043 0.000 0.879) 7.098 40.070 ( -7.453 0.000 2.063) 7.733 40.406 ( 19.602 0.000 -18.026) 26.631 40.515 ( 5.154 0.000 -12.069) 13.123 40.800 ( -7.034 0.000 -9.245) 11.617 41.030 ( -13.801 0.000 -5.807) 14.973 41.266 ( 17.204 0.000 9.573) 19.688 41.846 ( 4.730 0.000 10.212) 11.255 41.989 ( -17.225 0.000 4.601) 17.829 42.167 ( -10.791 0.000 15.229) 18.664 42.625 ( 5.523 0.000 0.639) 5.560 42.876 ( -4.671 0.000 5.917) 7.538 43.443 ( 3.739 0.000 -8.093) 8.915 43.757 ( -11.104 0.000 -11.111) 15.708 ======================= Grid point 38 (16/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -2.583 0.000 1.558) 3.016 1.694 ( 2.583 0.000 1.558) 3.016 1.724 ( -4.021 0.000 2.502) 4.736 1.724 ( 4.021 0.000 2.502) 4.736 1.730 ( -2.070 0.000 2.452) 3.209 1.730 ( 2.070 0.000 2.452) 3.209 1.979 ( -3.237 0.000 -0.975) 3.381 1.979 ( 3.237 0.000 -0.975) 3.381 2.296 ( -4.841 0.000 1.870) 5.190 2.296 ( 4.841 0.000 1.870) 5.190 2.457 ( -4.544 0.000 0.285) 4.553 2.457 ( 4.544 0.000 0.285) 4.553 3.053 ( -21.655 0.000 4.929) 22.209 3.053 ( 21.655 0.000 4.929) 22.209 3.242 ( -12.200 0.000 -0.611) 12.215 3.242 ( 12.200 0.000 -0.611) 12.215 3.596 ( -32.872 0.000 -7.304) 33.674 3.596 ( 32.872 0.000 -7.304) 33.674 3.771 ( -2.089 0.000 4.329) 4.806 3.771 ( 2.089 0.000 4.329) 4.806 4.134 ( -21.206 0.000 12.037) 24.384 4.134 ( 21.206 0.000 12.037) 24.384 5.081 ( -16.501 0.000 -8.731) 18.668 5.081 ( 16.501 0.000 -8.731) 18.668 5.304 ( -8.256 0.000 -8.008) 11.502 5.304 ( 8.256 0.000 -8.008) 11.502 5.429 ( -19.956 0.000 -1.868) 20.043 5.429 ( 19.956 0.000 -1.868) 20.043 5.604 ( -15.573 0.000 4.081) 16.099 5.604 ( 15.573 0.000 4.081) 16.099 5.710 ( -8.180 0.000 -0.262) 8.184 5.710 ( 8.180 0.000 -0.262) 8.184 6.115 ( -4.114 0.000 0.538) 4.149 6.115 ( 4.114 0.000 0.538) 4.149 6.168 ( -8.906 0.000 -0.325) 8.912 6.168 ( 8.906 0.000 -0.325) 8.912 6.659 ( -31.825 0.000 8.770) 33.011 6.659 ( 31.825 0.000 8.770) 33.011 7.056 ( -20.890 0.000 6.607) 21.909 7.056 ( 20.890 0.000 6.607) 21.909 7.193 ( -6.771 0.000 9.094) 11.338 7.193 ( 6.771 0.000 9.094) 11.338 7.569 ( -1.771 0.000 1.930) 2.619 7.569 ( 1.771 0.000 1.930) 2.619 7.702 ( -11.311 0.000 -1.349) 11.391 7.702 ( 11.311 0.000 -1.349) 11.391 8.123 ( -13.920 0.000 4.783) 14.719 8.123 ( 13.920 0.000 4.783) 14.719 8.430 ( -5.989 0.000 0.757) 6.037 8.430 ( 5.989 0.000 0.757) 6.037 8.947 ( -3.936 0.000 -7.646) 8.599 8.947 ( 3.936 0.000 -7.646) 8.599 9.287 ( -5.447 0.000 -8.845) 10.388 9.287 ( 5.447 0.000 -8.845) 10.388 9.322 ( -11.865 0.000 -8.018) 14.320 9.322 ( 11.865 0.000 -8.018) 14.320 10.014 ( -18.946 0.000 -9.261) 21.088 10.014 ( 18.946 0.000 -9.261) 21.088 10.467 ( -22.411 0.000 2.191) 22.518 10.467 ( 22.411 0.000 2.191) 22.518 10.650 ( -5.766 0.000 -19.788) 20.611 10.650 ( 5.766 0.000 -19.788) 20.611 10.755 ( -2.652 0.000 -22.667) 22.821 10.755 ( 2.652 0.000 -22.667) 22.821 10.960 ( -7.088 0.000 -2.987) 7.692 10.960 ( 7.088 0.000 -2.987) 7.692 11.340 ( -3.080 0.000 4.755) 5.666 11.340 ( 3.080 0.000 4.755) 5.666 11.347 ( -9.077 0.000 -0.410) 9.086 11.347 ( 9.077 0.000 -0.410) 9.086 11.620 ( -6.950 0.000 8.595) 11.053 11.620 ( 6.950 0.000 8.595) 11.053 12.076 ( -3.223 0.000 10.393) 10.881 12.076 ( 3.223 0.000 10.393) 10.881 12.086 ( -12.401 0.000 11.143) 16.672 12.086 ( 12.401 0.000 11.143) 16.672 12.440 ( -20.530 0.000 3.250) 20.786 12.440 ( 20.530 0.000 3.250) 20.786 12.946 ( -15.148 0.000 2.367) 15.332 12.946 ( 15.148 0.000 2.367) 15.332 13.403 ( -27.951 0.000 -2.287) 28.045 13.403 ( 27.951 0.000 -2.287) 28.045 14.670 ( -14.271 0.000 6.967) 15.881 14.670 ( 14.271 0.000 6.967) 15.881 15.090 ( -12.354 0.000 8.060) 14.750 15.090 ( 12.354 0.000 8.060) 14.750 15.368 ( -22.042 0.000 0.813) 22.057 15.368 ( 22.042 0.000 0.813) 22.057 15.781 ( -11.406 0.000 -0.631) 11.423 15.781 ( 11.406 0.000 -0.631) 11.423 16.251 ( -20.113 0.000 0.300) 20.115 16.251 ( 20.113 0.000 0.300) 20.115 16.576 ( -19.703 0.000 1.102) 19.734 16.576 ( 19.703 0.000 1.102) 19.734 17.011 ( -9.286 0.000 -3.036) 9.770 17.011 ( 9.286 0.000 -3.036) 9.770 17.414 ( -6.149 0.000 -1.627) 6.360 17.414 ( 6.149 0.000 -1.627) 6.360 17.453 ( -5.802 0.000 1.165) 5.918 17.453 ( 5.802 0.000 1.165) 5.918 17.505 ( -12.515 0.000 1.100) 12.564 17.505 ( 12.515 0.000 1.100) 12.564 17.662 ( -11.114 0.000 -1.364) 11.198 17.662 ( 11.114 0.000 -1.364) 11.198 17.872 ( -21.695 0.000 -1.380) 21.739 17.872 ( 21.695 0.000 -1.380) 21.739 18.768 ( -6.915 0.000 -10.109) 12.248 18.768 ( 6.915 0.000 -10.109) 12.248 19.108 ( -4.036 0.000 0.605) 4.081 19.108 ( 4.036 0.000 0.605) 4.081 19.846 ( -2.332 0.000 7.537) 7.890 19.846 ( 2.332 0.000 7.537) 7.890 20.383 ( -2.444 0.000 -2.486) 3.486 20.383 ( 2.444 0.000 -2.486) 3.486 20.484 ( -3.694 0.000 -0.922) 3.807 20.484 ( 3.694 0.000 -0.922) 3.807 20.679 ( -0.871 0.000 -2.119) 2.291 20.679 ( 0.871 0.000 -2.119) 2.291 20.848 ( -8.484 0.000 0.753) 8.517 20.848 ( 8.484 0.000 0.753) 8.517 20.979 ( -3.021 0.000 3.320) 4.488 20.979 ( 3.021 0.000 3.320) 4.488 21.265 ( -7.545 0.000 -5.261) 9.198 21.265 ( 7.545 0.000 -5.261) 9.198 21.315 ( -8.819 0.000 -5.963) 10.646 21.315 ( 8.819 0.000 -5.963) 10.646 21.624 ( -11.164 0.000 2.218) 11.382 21.624 ( 11.164 0.000 2.218) 11.382 21.868 ( -5.839 0.000 1.318) 5.986 21.868 ( 5.839 0.000 1.318) 5.986 22.087 ( -6.221 0.000 4.265) 7.543 22.087 ( 6.221 0.000 4.265) 7.543 22.602 ( -6.568 0.000 -0.797) 6.617 22.602 ( 6.568 0.000 -0.797) 6.617 22.754 ( -7.643 0.000 -6.400) 9.969 22.754 ( 7.643 0.000 -6.400) 9.969 22.942 ( -15.598 0.000 -1.744) 15.695 22.942 ( 15.598 0.000 -1.744) 15.695 23.180 ( -3.891 0.000 9.801) 10.545 23.180 ( 3.891 0.000 9.801) 10.545 23.325 ( -1.394 0.000 2.984) 3.294 23.325 ( 1.394 0.000 2.984) 3.294 23.374 ( -7.165 0.000 1.772) 7.381 23.374 ( 7.165 0.000 1.772) 7.381 23.404 ( -10.002 0.000 -2.292) 10.261 23.404 ( 10.002 0.000 -2.292) 10.261 23.542 ( -4.810 0.000 5.383) 7.219 23.542 ( 4.810 0.000 5.383) 7.219 23.953 ( -12.943 0.000 -0.520) 12.954 23.953 ( 12.943 0.000 -0.520) 12.954 24.142 ( -17.091 0.000 7.130) 18.518 24.142 ( 17.091 0.000 7.130) 18.518 24.351 ( -4.876 0.000 -1.544) 5.115 24.351 ( 4.876 0.000 -1.544) 5.115 24.462 ( -4.937 0.000 7.061) 8.615 24.462 ( 4.937 0.000 7.061) 8.615 24.734 ( -5.626 0.000 -0.870) 5.692 24.734 ( 5.626 0.000 -0.870) 5.692 24.960 ( -3.716 0.000 -6.679) 7.643 24.960 ( 3.716 0.000 -6.679) 7.643 26.227 ( -5.486 0.000 -5.629) 7.860 26.227 ( 5.486 0.000 -5.629) 7.860 26.965 ( -8.714 0.000 -9.642) 12.997 26.965 ( 8.714 0.000 -9.642) 12.997 27.254 ( -2.922 0.000 2.227) 3.674 27.254 ( 2.922 0.000 2.227) 3.674 27.260 ( -3.705 0.000 2.063) 4.241 27.260 ( 3.705 0.000 2.063) 4.241 30.316 ( -13.109 0.000 -0.413) 13.116 30.316 ( 13.109 0.000 -0.413) 13.116 30.790 ( -5.144 0.000 1.976) 5.511 30.790 ( 5.144 0.000 1.976) 5.511 30.950 ( -9.527 0.000 1.277) 9.612 30.950 ( 9.527 0.000 1.277) 9.612 31.115 ( -6.772 0.000 2.040) 7.073 31.115 ( 6.772 0.000 2.040) 7.073 31.449 ( -3.320 0.000 3.714) 4.982 31.449 ( 3.320 0.000 3.714) 4.982 31.703 ( -2.501 0.000 2.455) 3.505 31.703 ( 2.501 0.000 2.455) 3.505 36.216 ( -8.802 0.000 -2.223) 9.079 36.216 ( 8.802 0.000 -2.223) 9.079 36.393 ( -4.436 0.000 -2.553) 5.118 36.393 ( 4.436 0.000 -2.553) 5.118 37.444 ( -20.482 0.000 0.091) 20.482 37.444 ( 20.482 0.000 0.091) 20.482 38.369 ( -16.748 0.000 -10.131) 19.574 38.369 ( 16.748 0.000 -10.131) 19.574 39.896 ( -10.051 0.000 3.053) 10.504 39.896 ( 10.051 0.000 3.053) 10.504 39.915 ( -5.207 0.000 0.179) 5.211 39.915 ( 5.207 0.000 0.179) 5.211 40.646 ( -7.845 0.000 -11.529) 13.945 40.646 ( 7.845 0.000 -11.529) 13.945 40.743 ( -15.571 0.000 -10.181) 18.604 40.743 ( 15.571 0.000 -10.181) 18.604 41.626 ( -19.027 0.000 8.838) 20.980 41.626 ( 19.027 0.000 8.838) 20.980 41.978 ( -8.465 0.000 11.277) 14.101 41.978 ( 8.465 0.000 11.277) 14.101 42.756 ( -7.042 0.000 2.296) 7.406 42.756 ( 7.042 0.000 2.296) 7.406 43.560 ( -8.326 0.000 -8.762) 12.087 43.560 ( 8.326 0.000 -8.762) 12.087 ======================= Grid point 42 (17/60) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 30.626 12.334) 33.017 1.236 ( 0.000 25.897 18.041) 31.561 1.443 ( 0.000 14.727 4.553) 15.415 1.719 ( 0.000 29.706 10.426) 31.483 1.725 ( 0.000 -9.644 3.505) 10.261 1.816 ( 0.000 8.786 8.835) 12.460 1.835 ( 0.000 0.912 1.063) 1.401 1.857 ( 0.000 2.107 0.984) 2.325 1.978 ( 0.000 4.861 -0.223) 4.866 2.119 ( 0.000 -2.572 2.110) 3.327 2.228 ( 0.000 -1.023 1.652) 1.943 2.384 ( 0.000 -14.667 0.751) 14.686 2.533 ( 0.000 12.292 1.064) 12.338 2.592 ( 0.000 2.389 4.043) 4.696 2.798 ( 0.000 5.800 5.012) 7.665 2.945 ( 0.000 -6.002 2.489) 6.498 2.980 ( 0.000 -0.166 9.393) 9.394 3.121 ( 0.000 -5.006 14.153) 15.012 3.819 ( 0.000 -28.651 9.410) 30.157 4.009 ( 0.000 -15.317 -4.726) 16.030 4.176 ( 0.000 2.686 3.888) 4.725 4.417 ( 0.000 -4.542 12.544) 13.341 4.622 ( 0.000 -6.286 2.668) 6.829 4.856 ( 0.000 -17.031 -11.057) 20.306 5.029 ( 0.000 2.010 1.774) 2.681 5.127 ( 0.000 0.294 1.007) 1.049 5.295 ( 0.000 12.195 0.792) 12.220 5.372 ( 0.000 20.366 -7.592) 21.735 5.748 ( 0.000 0.759 -7.142) 7.182 5.940 ( 0.000 17.391 -1.758) 17.480 5.993 ( 0.000 -5.042 -8.245) 9.665 6.171 ( 0.000 20.697 -1.237) 20.734 6.319 ( 0.000 -10.510 -0.749) 10.537 6.432 ( 0.000 3.734 -3.432) 5.071 6.494 ( 0.000 -5.896 2.006) 6.228 6.639 ( 0.000 2.098 9.249) 9.484 6.809 ( 0.000 -9.046 7.069) 11.480 7.069 ( 0.000 -2.606 -1.203) 2.870 7.081 ( 0.000 -1.247 -9.784) 9.863 7.114 ( 0.000 -4.168 7.619) 8.685 7.121 ( 0.000 -6.698 -12.368) 14.065 7.234 ( 0.000 0.226 0.708) 0.743 7.254 ( 0.000 -2.577 4.544) 5.224 7.352 ( 0.000 -8.405 8.315) 11.823 7.472 ( 0.000 9.768 9.842) 13.867 7.787 ( 0.000 -6.619 -6.598) 9.345 7.853 ( 0.000 -9.670 3.619) 10.325 7.883 ( 0.000 -4.565 -3.848) 5.970 8.449 ( 0.000 25.681 -15.133) 29.808 8.678 ( 0.000 2.563 -5.135) 5.739 8.912 ( 0.000 -11.244 -4.648) 12.167 9.173 ( 0.000 1.576 -5.230) 5.463 9.327 ( 0.000 1.644 -1.534) 2.248 9.390 ( 0.000 3.486 -8.267) 8.972 9.603 ( 0.000 -5.195 10.277) 11.515 9.610 ( 0.000 -0.916 -5.866) 5.937 9.731 ( 0.000 -10.361 -2.568) 10.675 9.899 ( 0.000 -11.563 -15.951) 19.701 9.928 ( 0.000 12.328 -3.406) 12.790 10.261 ( 0.000 5.490 -19.804) 20.550 10.390 ( 0.000 2.900 -11.259) 11.626 10.460 ( 0.000 -4.912 -11.833) 12.812 10.545 ( 0.000 18.065 -4.028) 18.508 10.740 ( 0.000 -0.484 -3.650) 3.682 11.063 ( 0.000 -14.926 20.479) 25.341 11.133 ( 0.000 9.945 -3.454) 10.528 11.206 ( 0.000 -6.700 -9.574) 11.686 11.414 ( 0.000 8.753 -1.363) 8.858 11.542 ( 0.000 4.860 -0.974) 4.957 11.660 ( 0.000 -5.238 -10.159) 11.430 11.794 ( 0.000 3.180 -6.632) 7.355 11.818 ( 0.000 -4.473 -3.609) 5.748 11.935 ( 0.000 -3.881 -5.963) 7.115 11.940 ( 0.000 8.578 0.217) 8.581 12.380 ( 0.000 1.440 14.938) 15.007 12.398 ( 0.000 9.341 19.501) 21.622 12.409 ( 0.000 -6.610 11.265) 13.061 12.537 ( 0.000 0.238 13.042) 13.044 12.718 ( 0.000 -9.972 16.246) 19.062 13.158 ( 0.000 -5.616 8.927) 10.546 13.453 ( 0.000 8.378 10.556) 13.476 13.854 ( 0.000 5.772 -11.813) 13.147 14.196 ( 0.000 14.701 6.472) 16.063 14.703 ( 0.000 -9.719 1.261) 9.800 14.742 ( 0.000 -9.902 -1.540) 10.022 14.826 ( 0.000 -1.066 1.029) 1.482 15.007 ( 0.000 -17.497 4.512) 18.069 15.137 ( 0.000 -12.383 4.634) 13.222 15.424 ( 0.000 4.268 -4.358) 6.099 15.479 ( 0.000 2.503 4.674) 5.302 16.313 ( 0.000 10.308 4.568) 11.275 16.621 ( 0.000 13.719 1.238) 13.775 16.742 ( 0.000 2.958 -2.530) 3.892 16.798 ( 0.000 -1.171 -1.666) 2.036 16.801 ( 0.000 1.426 2.242) 2.657 16.998 ( 0.000 -7.500 0.442) 7.513 17.373 ( 0.000 -1.222 -2.332) 2.633 17.413 ( 0.000 7.666 -2.963) 8.219 17.541 ( 0.000 0.076 -10.061) 10.061 17.546 ( 0.000 2.318 1.696) 2.872 17.616 ( 0.000 -12.145 -2.662) 12.433 17.846 ( 0.000 -5.910 3.329) 6.783 18.041 ( 0.000 3.397 -2.987) 4.524 18.136 ( 0.000 5.469 4.868) 7.322 18.425 ( 0.000 -9.414 -2.554) 9.755 18.474 ( 0.000 12.746 0.558) 12.759 18.498 ( 0.000 -7.772 -0.957) 7.831 18.767 ( 0.000 -0.152 -4.859) 4.861 19.020 ( 0.000 15.690 -2.061) 15.825 19.153 ( 0.000 8.565 8.351) 11.962 19.355 ( 0.000 -1.367 5.124) 5.304 20.019 ( 0.000 -22.596 3.733) 22.902 20.156 ( 0.000 6.875 0.198) 6.878 20.276 ( 0.000 1.918 1.364) 2.354 20.387 ( 0.000 -5.034 1.192) 5.173 20.472 ( 0.000 -6.120 -2.039) 6.451 20.508 ( 0.000 -0.769 -2.068) 2.206 20.694 ( 0.000 -4.045 -2.720) 4.875 20.828 ( 0.000 4.424 -5.871) 7.351 20.915 ( 0.000 -1.014 -7.380) 7.450 20.921 ( 0.000 1.875 -0.116) 1.879 20.958 ( 0.000 8.181 1.361) 8.294 21.055 ( 0.000 -7.208 -4.733) 8.623 21.223 ( 0.000 -1.510 1.240) 1.954 21.339 ( 0.000 4.700 -12.570) 13.419 21.462 ( 0.000 3.582 -0.970) 3.711 21.573 ( 0.000 -3.855 -14.226) 14.739 21.627 ( 0.000 9.384 5.114) 10.687 21.654 ( 0.000 -5.660 -1.786) 5.935 21.857 ( 0.000 -2.753 -2.277) 3.573 21.973 ( 0.000 2.829 0.956) 2.986 22.145 ( 0.000 8.030 6.265) 10.185 22.266 ( 0.000 -10.977 8.468) 13.863 22.514 ( 0.000 2.430 2.244) 3.307 22.604 ( 0.000 -3.282 7.390) 8.086 22.747 ( 0.000 16.904 -12.112) 20.795 22.884 ( 0.000 -2.197 3.597) 4.215 22.993 ( 0.000 3.963 -0.631) 4.013 23.010 ( 0.000 -2.095 2.018) 2.908 23.062 ( 0.000 2.069 -0.823) 2.227 23.116 ( 0.000 -4.039 -5.796) 7.064 23.277 ( 0.000 -6.373 -2.629) 6.894 23.312 ( 0.000 5.656 5.117) 7.627 23.438 ( 0.000 -1.048 1.073) 1.499 23.445 ( 0.000 -1.043 -0.158) 1.054 23.567 ( 0.000 -3.594 -0.295) 3.606 23.651 ( 0.000 12.295 -3.962) 12.918 23.709 ( 0.000 7.031 9.337) 11.688 23.849 ( 0.000 3.992 5.036) 6.427 24.083 ( 0.000 0.897 -0.366) 0.969 24.251 ( 0.000 -2.991 0.489) 3.030 24.256 ( 0.000 -2.471 1.334) 2.808 24.440 ( 0.000 -10.162 -8.857) 13.480 24.451 ( 0.000 -4.509 2.680) 5.245 24.701 ( 0.000 2.698 -9.197) 9.585 24.759 ( 0.000 -2.359 -1.095) 2.601 25.199 ( 0.000 -0.229 1.743) 1.758 25.227 ( 0.000 -1.939 -1.537) 2.475 25.355 ( 0.000 9.639 8.394) 12.782 25.620 ( 0.000 3.534 7.514) 8.304 26.015 ( 0.000 -3.760 -1.384) 4.007 26.029 ( 0.000 -6.358 6.353) 8.988 26.263 ( 0.000 2.288 -3.002) 3.774 26.604 ( 0.000 -29.367 5.454) 29.869 26.986 ( 0.000 -2.100 5.349) 5.747 27.063 ( 0.000 -1.452 4.566) 4.791 27.118 ( 0.000 4.920 5.618) 7.468 27.343 ( 0.000 -4.328 3.461) 5.542 29.815 ( 0.000 3.327 5.422) 6.361 30.180 ( 0.000 -15.284 0.349) 15.288 30.889 ( 0.000 9.006 0.380) 9.014 30.917 ( 0.000 13.595 0.347) 13.599 31.009 ( 0.000 0.590 2.381) 2.453 31.033 ( 0.000 -0.471 2.600) 2.642 31.230 ( 0.000 2.214 -0.111) 2.217 31.280 ( 0.000 -0.512 1.664) 1.741 31.318 ( 0.000 -1.737 -0.735) 1.886 31.422 ( 0.000 2.830 -0.384) 2.856 31.530 ( 0.000 -2.052 2.112) 2.945 31.588 ( 0.000 -8.862 0.133) 8.863 36.139 ( 0.000 8.907 -11.901) 14.865 36.230 ( 0.000 -0.333 -10.888) 10.893 36.296 ( 0.000 2.773 -7.171) 7.688 36.427 ( 0.000 -2.066 -6.034) 6.378 36.777 ( 0.000 1.252 12.692) 12.754 36.952 ( 0.000 -11.457 17.483) 20.902 38.257 ( 0.000 10.239 -3.207) 10.730 38.763 ( 0.000 -11.421 -7.412) 13.615 39.422 ( 0.000 0.147 2.237) 2.241 39.475 ( 0.000 -2.969 3.965) 4.954 40.224 ( 0.000 18.796 -22.891) 29.619 40.249 ( 0.000 2.922 1.025) 3.096 40.318 ( 0.000 5.549 -9.481) 10.986 40.514 ( 0.000 -6.330 1.575) 6.523 40.738 ( 0.000 13.351 3.928) 13.917 41.113 ( 0.000 6.863 -4.350) 8.126 41.391 ( 0.000 -1.553 -16.587) 16.659 41.472 ( 0.000 -23.142 6.055) 23.921 42.536 ( 0.000 -3.464 20.739) 21.027 42.623 ( 0.000 -2.706 13.548) 13.816 42.720 ( 0.000 23.868 -11.314) 26.414 43.316 ( 0.000 -8.147 -7.763) 11.254 43.437 ( 0.000 28.508 -27.537) 39.635 43.917 ( 0.000 -3.982 -14.957) 15.478 ======================= Grid point 43 (18/60) ======================= q-point: ( 0.17 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 28.157 18.345 6.580) 34.244 1.224 ( 11.461 16.899 17.512) 26.900 1.523 ( 6.574 5.281 2.942) 8.931 1.697 ( 2.671 8.880 4.462) 10.291 1.757 ( 1.547 -5.336 3.192) 6.407 1.824 ( -0.919 0.912 0.711) 1.476 1.859 ( 0.788 0.062 0.395) 0.884 1.942 ( 1.995 3.377 3.878) 5.515 2.035 ( 3.895 4.282 2.704) 6.389 2.152 ( 3.856 0.443 0.723) 3.948 2.241 ( 0.620 -3.956 1.863) 4.416 2.421 ( 5.210 -1.795 -0.785) 5.566 2.538 ( 8.643 -3.201 3.728) 9.942 2.726 ( -1.057 -4.413 4.081) 6.103 2.821 ( 4.587 -1.187 0.308) 4.748 2.872 ( 3.211 -2.289 2.613) 4.731 3.111 ( 13.451 14.917 7.089) 21.300 3.627 ( 46.800 7.097 16.040) 49.979 3.984 ( -1.922 -9.567 -1.041) 9.813 4.047 ( -11.413 2.404 3.346) 12.134 4.212 ( 27.253 -17.408 7.106) 33.110 4.321 ( -9.024 -4.587 11.693) 15.466 4.581 ( -3.997 -5.066 3.705) 7.441 4.905 ( -0.772 -13.865 -8.855) 16.469 4.992 ( 2.255 -0.732 1.946) 3.067 5.149 ( 1.011 -1.478 -0.498) 1.858 5.258 ( -3.261 9.097 -0.863) 9.703 5.389 ( 1.911 20.939 -9.839) 23.214 5.720 ( -8.836 15.082 -3.811) 17.891 5.784 ( 1.762 -3.846 -4.458) 6.146 5.959 ( -8.048 3.206 -3.078) 9.194 6.114 ( -14.164 -0.036 -3.689) 14.637 6.370 ( -11.045 -8.438 -7.596) 15.840 6.386 ( -9.295 -4.343 0.309) 10.264 6.479 ( -7.198 2.371 6.541) 10.011 6.537 ( 12.514 6.443 -4.320) 14.724 6.605 ( -13.764 -5.548 6.839) 16.340 6.721 ( -13.584 6.278 -5.662) 15.999 6.826 ( -14.709 -0.888 -0.384) 14.741 7.047 ( 1.810 -0.342 3.933) 4.343 7.281 ( -1.848 -8.873 8.647) 12.527 7.323 ( 8.114 -9.338 1.964) 12.525 7.351 ( 8.462 -5.483 -0.813) 10.116 7.401 ( 8.085 -10.294 4.640) 13.888 7.665 ( 0.683 2.066 12.982) 13.163 7.716 ( 6.958 -1.503 10.875) 12.998 8.091 ( 19.392 1.928 -8.706) 21.344 8.297 ( 23.007 -3.157 -11.706) 26.006 8.374 ( -7.816 20.602 -11.124) 24.683 8.643 ( -3.649 3.687 -0.399) 5.202 8.701 ( -16.103 -3.758 2.533) 16.728 9.109 ( -6.109 10.039 -3.071) 12.147 9.213 ( -5.679 -6.176 -12.730) 15.246 9.419 ( -2.355 1.949 -3.980) 5.019 9.552 ( -1.572 -3.247 -3.965) 5.360 9.640 ( 5.224 -2.976 -2.906) 6.678 9.774 ( -7.383 -0.763 -3.811) 8.343 9.864 ( -3.850 -10.240 -4.630) 11.879 10.032 ( 2.273 6.433 -13.320) 14.965 10.063 ( 3.829 -1.958 -13.159) 13.844 10.404 ( 2.546 2.396 -14.257) 14.680 10.518 ( 3.840 -7.855 -11.091) 14.123 10.660 ( 7.685 13.209 -6.751) 16.707 10.843 ( 8.331 3.203 -3.000) 9.417 11.020 ( -4.418 -9.228 9.907) 14.241 11.163 ( 2.080 -10.481 4.606) 11.636 11.200 ( -1.398 -2.774 -9.844) 10.323 11.386 ( -6.364 -1.402 -5.123) 8.289 11.467 ( -3.174 2.515 0.550) 4.087 11.617 ( -8.025 -0.658 -9.627) 12.550 11.723 ( -2.590 2.193 3.523) 4.892 11.830 ( 0.477 0.921 -6.693) 6.773 11.947 ( 5.349 2.085 -2.787) 6.382 11.971 ( 0.050 7.350 7.295) 10.356 12.282 ( -3.326 11.303 11.083) 16.176 12.369 ( -11.987 0.583 12.051) 17.008 12.497 ( 3.486 6.652 15.497) 17.221 12.559 ( 3.419 -0.911 6.403) 7.315 12.789 ( 5.329 -1.936 12.690) 13.899 13.232 ( 1.110 -11.492 12.914) 17.323 13.413 ( 4.660 2.600 -1.956) 5.683 13.677 ( -10.970 3.961 -5.597) 12.937 14.171 ( -0.816 11.056 12.065) 16.385 14.619 ( 1.030 -2.247 1.827) 3.074 14.768 ( -0.945 1.944 0.583) 2.239 14.951 ( -1.818 -18.245 3.213) 18.614 15.055 ( 16.066 -6.840 0.326) 17.464 15.216 ( -2.327 4.353 -0.193) 4.940 15.354 ( 8.790 -14.256 4.977) 17.472 15.756 ( 13.648 -8.386 0.216) 16.020 16.220 ( -7.215 14.052 -0.081) 15.797 16.638 ( 1.970 23.167 0.611) 23.259 16.784 ( -2.136 0.446 -0.741) 2.304 16.827 ( 6.003 3.286 0.478) 6.860 16.898 ( 10.619 3.628 2.486) 11.494 17.165 ( 9.442 -5.070 -3.748) 11.354 17.277 ( -10.322 -4.324 -3.515) 11.730 17.371 ( -5.584 -1.457 0.413) 5.785 17.433 ( -7.011 -7.012 -4.774) 11.005 17.472 ( -3.605 0.131 -2.759) 4.541 17.565 ( -4.718 0.911 -0.461) 4.827 17.726 ( -11.382 -5.535 1.065) 12.701 17.873 ( -8.850 3.338 0.960) 9.507 18.026 ( -9.858 3.638 4.808) 11.556 18.190 ( -15.894 -4.927 -1.537) 16.711 18.464 ( -3.684 -13.730 -2.691) 14.469 18.596 ( -0.757 3.530 -3.748) 5.204 18.802 ( -5.662 -1.144 -3.666) 6.842 19.042 ( 6.501 14.379 -0.626) 15.792 19.066 ( -0.331 16.734 1.937) 16.849 19.478 ( 11.881 -4.588 10.468) 16.486 19.885 ( -8.453 -16.405 4.051) 18.894 20.272 ( 5.937 0.299 -4.256) 7.311 20.341 ( 3.787 -0.199 0.314) 3.805 20.406 ( 1.037 -3.931 0.940) 4.173 20.482 ( 0.022 -7.654 -0.980) 7.716 20.548 ( 3.774 0.630 -0.498) 3.858 20.690 ( 0.704 -3.340 -2.948) 4.510 20.875 ( 0.310 8.682 -2.452) 9.027 20.936 ( 5.089 1.932 -5.276) 7.580 20.956 ( 3.992 -0.150 -3.958) 5.623 21.012 ( 4.185 2.043 -1.419) 4.868 21.136 ( 4.090 -1.764 -2.465) 5.091 21.240 ( 3.599 -2.877 -0.111) 4.609 21.284 ( -5.343 4.812 -10.365) 12.615 21.448 ( -5.382 1.223 -6.399) 8.450 21.557 ( 2.484 0.839 -4.058) 4.831 21.665 ( 7.157 -4.173 -2.932) 8.788 21.832 ( -0.475 -0.866 -3.683) 3.813 21.925 ( -1.254 0.741 2.911) 3.255 21.951 ( 10.591 -3.327 0.036) 11.102 22.202 ( -4.943 -9.952 8.932) 14.257 22.214 ( 8.563 8.800 3.531) 12.776 22.492 ( -0.901 10.459 -1.086) 10.554 22.578 ( -0.015 -4.174 5.686) 7.053 22.769 ( 1.104 13.291 -8.112) 15.610 22.901 ( 2.702 -5.448 2.238) 6.480 23.023 ( 2.347 -3.427 1.162) 4.314 23.039 ( -4.165 -2.726 -4.494) 6.706 23.077 ( 1.969 -1.374 -2.542) 3.497 23.107 ( 5.211 3.917 2.504) 6.983 23.225 ( -2.082 -6.158 1.886) 6.768 23.329 ( 1.556 3.649 5.660) 6.911 23.434 ( -1.721 1.328 2.824) 3.564 23.472 ( 1.757 0.215 2.224) 2.842 23.563 ( 0.848 -0.431 0.225) 0.978 23.628 ( -0.780 6.986 -1.628) 7.215 23.778 ( 2.217 7.014 4.075) 8.409 23.882 ( 1.197 -0.894 5.830) 6.019 24.057 ( -3.286 3.536 3.019) 5.694 24.140 ( -2.432 2.159 2.595) 4.161 24.195 ( -12.933 1.938 3.832) 13.627 24.360 ( -4.543 -5.819 -2.023) 7.654 24.437 ( -2.660 -10.269 -2.733) 10.955 24.690 ( -2.159 1.785 -2.962) 4.076 24.769 ( -2.443 -1.173 0.941) 2.869 24.831 ( -17.082 9.252 6.332) 20.433 25.087 ( -11.884 2.214 8.541) 14.801 25.182 ( -6.574 -3.499 -0.217) 7.451 25.256 ( -26.743 -7.869 3.507) 28.096 25.967 ( 14.978 15.969 -3.413) 22.158 26.302 ( 4.070 3.690 -3.114) 6.315 26.452 ( 11.325 -1.392 -2.653) 11.715 26.832 ( 8.781 -18.383 -9.163) 22.339 27.055 ( 4.979 -3.545 3.727) 7.159 27.131 ( 5.407 -0.638 2.317) 5.917 27.222 ( 6.741 -3.481 2.317) 7.933 27.370 ( 2.783 -6.400 3.071) 7.625 29.899 ( 7.961 3.070 4.412) 9.606 30.243 ( 6.117 -14.635 0.167) 15.862 30.833 ( -6.409 6.265 -0.715) 8.991 30.883 ( -3.232 2.691 -0.736) 4.269 30.963 ( -2.875 4.485 3.823) 6.557 31.013 ( 1.022 7.107 4.213) 8.325 31.245 ( -0.795 0.852 -0.374) 1.224 31.288 ( 2.648 1.799 1.951) 3.749 31.354 ( -1.008 2.745 1.705) 3.385 31.466 ( 5.797 -1.863 0.886) 6.153 31.513 ( -1.501 -4.134 1.944) 4.809 31.620 ( 2.257 -7.377 0.896) 7.766 36.053 ( -1.428 7.488 -4.412) 8.808 36.244 ( 1.229 -3.060 -6.941) 7.684 36.386 ( 4.837 3.858 -9.623) 11.441 36.514 ( 0.875 -1.901 -5.906) 6.266 36.835 ( 7.809 3.741 11.613) 14.486 37.260 ( 25.451 -22.004 1.542) 33.680 38.161 ( -9.390 9.901 -3.068) 13.986 38.692 ( -7.377 -13.450 -7.154) 16.926 39.500 ( 7.492 0.075 2.581) 7.924 39.579 ( 8.640 -5.946 2.744) 10.841 40.192 ( -3.872 3.140 -1.577) 5.229 40.226 ( -6.897 2.928 -2.594) 7.929 40.341 ( 8.133 15.101 -17.684) 24.636 40.517 ( 1.674 3.046 -9.160) 9.797 40.860 ( 8.570 4.721 1.735) 9.937 41.063 ( -3.861 4.229 -4.587) 7.337 41.357 ( -3.288 2.743 -14.388) 15.012 41.512 ( 3.971 -19.506 9.814) 22.194 42.344 ( -16.821 -0.746 20.008) 26.150 42.437 ( -15.440 1.935 9.926) 18.457 42.759 ( 2.649 18.668 -4.995) 19.506 43.245 ( -10.739 25.239 -7.264) 28.374 43.324 ( 0.859 -7.886 -7.687) 11.046 43.871 ( -7.094 -7.339 -15.266) 18.364 ======================= Grid point 44 (19/60) ======================= q-point: ( 0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 13.257 0.983 4.434) 14.014 1.566 ( 11.796 3.154 0.782) 12.236 1.665 ( 6.070 1.802 2.571) 6.833 1.756 ( 2.382 6.340 4.704) 8.246 1.763 ( -1.251 -1.877 2.237) 3.176 1.801 ( -1.239 2.111 0.883) 2.602 1.891 ( 2.671 -1.713 -0.227) 3.182 2.006 ( -0.188 -0.010 -1.119) 1.134 2.115 ( 9.905 -2.593 4.201) 11.067 2.266 ( 5.441 -6.337 3.073) 8.900 2.308 ( 6.441 3.276 1.529) 7.387 2.491 ( -1.810 -3.764 -0.008) 4.177 2.762 ( 12.600 3.269 3.482) 13.474 2.845 ( 20.478 -3.947 -0.650) 20.865 2.964 ( 14.425 2.539 -0.513) 14.656 3.191 ( 19.691 -2.713 0.836) 19.894 3.386 ( 15.386 8.095 4.682) 18.005 3.691 ( -18.916 6.389 4.536) 20.474 3.855 ( -11.667 -8.034 0.177) 14.167 4.066 ( -15.240 1.039 7.603) 17.063 4.365 ( -13.650 -0.747 2.531) 13.903 4.536 ( 17.782 -5.872 2.905) 18.951 4.642 ( -11.195 5.751 3.528) 13.071 4.858 ( 31.459 -1.123 3.320) 31.653 5.106 ( -2.437 -11.157 -6.760) 13.270 5.240 ( 15.315 -7.207 -1.155) 16.966 5.308 ( 9.906 5.020 -1.970) 11.279 5.407 ( -1.159 15.342 -11.367) 19.129 5.631 ( -2.254 -6.175 -4.646) 8.049 5.748 ( -5.057 1.647 -1.050) 5.421 5.828 ( 1.172 1.690 0.907) 2.248 5.916 ( -4.012 13.241 3.604) 14.297 6.075 ( -16.419 0.265 1.013) 16.452 6.094 ( -12.335 2.433 -6.195) 14.016 6.160 ( -15.934 -4.888 0.623) 16.678 6.347 ( -10.374 0.001 7.688) 12.913 6.584 ( -0.975 -0.324 1.196) 1.577 6.708 ( 8.515 -4.365 9.601) 13.555 6.988 ( 12.424 7.323 -7.487) 16.249 7.135 ( 2.332 -6.191 5.262) 8.454 7.233 ( -2.391 -3.885 6.811) 8.198 7.429 ( 1.829 -3.941 2.984) 5.271 7.492 ( 4.627 -7.910 -0.621) 9.185 7.560 ( 3.727 0.927 10.295) 10.988 7.643 ( -6.296 1.284 10.177) 12.035 7.721 ( -0.531 -9.386 5.832) 11.063 8.021 ( -18.442 9.051 -4.554) 21.042 8.304 ( -11.148 -2.369 1.133) 11.453 8.408 ( 4.971 9.080 -2.384) 10.623 8.613 ( 0.877 12.017 2.396) 12.285 8.830 ( 20.460 -7.876 -9.349) 23.834 9.052 ( 0.403 7.628 -8.996) 11.802 9.155 ( -0.379 7.272 -10.035) 12.399 9.338 ( -4.903 -3.898 -5.741) 8.497 9.469 ( -6.678 4.002 -8.723) 11.692 9.566 ( -9.212 8.548 -7.869) 14.827 9.682 ( 1.081 -3.210 -2.802) 4.397 9.900 ( 15.236 -9.570 -0.873) 18.013 10.164 ( 4.750 -0.049 -18.835) 19.425 10.282 ( 12.092 -17.768 -9.229) 23.389 10.476 ( 0.422 -4.100 -13.632) 14.241 10.519 ( -1.247 -16.733 -14.471) 22.158 10.801 ( 2.645 10.361 -8.607) 13.727 10.855 ( -8.812 -3.464 -1.875) 9.652 11.018 ( 2.441 -7.162 1.562) 7.726 11.118 ( -2.766 3.846 -6.642) 8.158 11.202 ( 0.367 -5.724 5.138) 7.700 11.299 ( -3.021 3.180 -2.693) 5.147 11.375 ( -6.687 -3.185 -0.626) 7.433 11.417 ( -5.930 1.184 -1.467) 6.222 11.672 ( -2.938 1.346 3.291) 4.612 11.812 ( -2.413 -2.616 0.957) 3.685 11.947 ( 0.607 2.940 7.509) 8.087 11.990 ( -2.881 -0.010 7.264) 7.814 12.163 ( -6.145 0.201 8.785) 10.723 12.297 ( 2.551 10.144 2.039) 10.657 12.391 ( -1.874 3.192 12.646) 13.176 12.741 ( -4.088 7.432 5.661) 10.197 12.858 ( 6.563 9.203 0.753) 11.328 13.092 ( -3.818 1.172 3.428) 5.263 13.356 ( -3.985 11.981 1.605) 12.728 13.859 ( 7.418 3.406 -1.209) 8.252 14.211 ( 8.771 -9.921 6.131) 14.593 14.685 ( 9.322 -2.130 6.751) 11.705 14.805 ( -9.710 -13.664 5.685) 17.701 14.937 ( 16.234 -3.783 3.007) 16.939 15.113 ( -3.771 9.811 8.158) 13.306 15.497 ( 14.177 -9.602 2.686) 17.332 15.614 ( 25.504 -9.442 -1.656) 27.246 15.809 ( -9.950 -11.362 0.139) 15.103 16.097 ( -7.381 15.805 -1.031) 17.474 16.631 ( -3.513 23.987 -1.872) 24.315 16.685 ( -9.535 9.694 2.611) 13.846 16.821 ( -18.624 -15.005 -1.317) 23.953 16.945 ( 2.664 2.834 -0.535) 3.926 17.199 ( 1.855 -8.689 1.768) 9.059 17.238 ( 8.808 -0.162 1.230) 8.894 17.306 ( -1.659 3.225 -4.893) 6.090 17.387 ( -0.145 -0.249 -2.645) 2.661 17.490 ( -2.160 -1.344 -4.451) 5.126 17.511 ( 7.201 0.559 1.256) 7.331 17.562 ( -4.182 -1.176 -0.400) 4.362 17.691 ( -10.760 4.459 1.175) 11.707 17.796 ( -10.297 -0.146 0.341) 10.304 17.897 ( -12.052 -0.049 3.545) 12.562 18.369 ( -13.302 -5.785 -4.982) 15.337 18.394 ( -7.397 -12.900 -4.086) 15.422 18.639 ( -4.441 -9.499 -6.887) 12.545 19.194 ( 8.600 16.650 -0.061) 18.740 19.244 ( 8.838 14.249 0.694) 16.782 19.690 ( 7.918 -6.226 8.280) 13.039 19.788 ( -1.443 -10.244 5.076) 11.523 20.342 ( 2.237 -0.066 -3.878) 4.477 20.396 ( 1.750 -1.168 -0.117) 2.107 20.413 ( 0.088 -1.478 -0.074) 1.483 20.468 ( -1.188 -5.482 -1.003) 5.698 20.639 ( 5.530 0.681 -0.154) 5.574 20.728 ( 2.813 -0.524 -1.942) 3.458 20.851 ( -2.147 8.257 -0.926) 8.582 20.997 ( -4.565 0.525 -2.321) 5.148 21.039 ( 3.823 4.390 -2.658) 6.399 21.081 ( 2.900 2.880 -4.081) 5.776 21.163 ( -1.035 3.398 -7.535) 8.330 21.196 ( 3.068 4.757 -0.344) 5.671 21.332 ( 1.835 -2.530 -3.118) 4.415 21.413 ( 1.103 -2.862 -6.329) 7.033 21.516 ( -4.299 2.424 -1.637) 5.200 21.705 ( -4.728 -8.056 -1.782) 9.509 21.791 ( 0.627 -1.733 0.688) 1.967 21.949 ( 2.399 -2.585 4.081) 5.394 21.981 ( -5.313 -0.611 7.939) 9.572 22.117 ( -3.122 -7.612 10.757) 13.542 22.498 ( 14.367 4.580 -6.549) 16.440 22.543 ( 5.986 8.763 -3.331) 11.123 22.672 ( 9.511 -0.421 -1.622) 9.658 22.776 ( -0.793 7.279 -5.070) 8.906 22.900 ( -7.183 -0.816 -5.556) 9.118 22.983 ( 2.774 -7.341 -0.100) 7.848 23.065 ( 1.487 -6.481 3.931) 7.724 23.147 ( 4.184 -3.931 0.868) 5.807 23.222 ( 4.967 1.591 5.216) 7.376 23.253 ( 5.292 0.053 3.501) 6.345 23.350 ( 0.901 2.209 5.346) 5.854 23.414 ( -0.089 -2.014 2.292) 3.053 23.502 ( -2.137 4.230 4.692) 6.669 23.539 ( -4.829 5.104 4.734) 8.473 23.561 ( -1.423 3.081 2.508) 4.220 23.779 ( 2.152 -0.233 2.686) 3.450 23.838 ( -14.918 8.994 5.560) 18.285 23.941 ( 5.260 7.844 2.014) 9.657 24.060 ( -0.622 -1.751 4.672) 5.028 24.171 ( 0.891 -3.792 0.978) 4.016 24.238 ( -6.357 -9.288 2.253) 11.478 24.440 ( 4.751 -7.790 -3.754) 9.867 24.597 ( -13.358 0.855 1.022) 13.424 24.638 ( -5.259 3.750 2.962) 7.106 24.716 ( -7.104 2.910 -2.911) 8.211 24.814 ( -7.607 -1.214 3.128) 8.314 24.937 ( -5.527 -2.679 -1.999) 6.459 25.037 ( -6.997 -3.688 -0.802) 7.950 26.218 ( 9.958 14.611 -7.465) 19.192 26.373 ( 2.077 8.642 -4.373) 9.905 26.677 ( 11.597 -4.682 -5.140) 13.522 26.916 ( 1.211 -11.361 -10.658) 15.625 27.157 ( 5.282 -1.090 2.913) 6.130 27.216 ( 3.119 -0.789 0.883) 3.336 27.277 ( 0.250 0.047 2.762) 2.774 27.374 ( -3.455 -3.028 0.795) 4.662 30.098 ( 11.806 3.141 2.005) 12.380 30.397 ( 8.554 -11.808 -0.867) 14.606 30.632 ( -11.764 0.568 0.161) 11.779 30.785 ( -7.456 -6.493 -1.069) 9.945 30.990 ( 5.130 9.681 4.564) 11.868 31.065 ( 3.707 7.642 3.340) 9.127 31.219 ( -2.209 6.932 1.100) 7.358 31.265 ( -4.575 3.024 2.345) 5.965 31.374 ( 3.003 1.161 3.534) 4.781 31.474 ( -1.988 -2.879 1.767) 3.920 31.578 ( 4.652 -4.670 2.202) 6.950 31.653 ( 0.773 -7.032 1.895) 7.323 36.106 ( 5.940 5.207 -2.505) 8.287 36.289 ( 3.322 -2.979 -4.500) 6.338 36.384 ( -4.526 2.277 -4.742) 6.939 36.468 ( -4.275 -1.409 -2.639) 5.217 37.120 ( 19.675 7.866 4.277) 21.617 37.739 ( 21.169 -20.782 -6.436) 30.355 37.910 ( -14.743 7.710 -1.895) 16.745 38.480 ( -13.959 -16.194 -7.061) 22.516 39.684 ( 10.595 -0.087 3.028) 11.019 39.753 ( 8.666 -4.453 1.754) 9.900 40.067 ( -8.442 2.278 1.275) 8.837 40.081 ( -7.435 1.149 1.659) 7.704 40.544 ( 11.148 9.087 -16.320) 21.753 40.586 ( 5.128 6.158 -13.517) 15.714 40.886 ( -5.119 6.764 -12.775) 15.334 41.021 ( -4.572 -2.622 -10.677) 11.906 41.363 ( 8.041 8.330 6.826) 13.440 41.611 ( 5.490 -14.126 12.425) 19.597 42.022 ( -14.393 -2.729 14.575) 20.665 42.109 ( -16.403 -2.475 14.764) 22.207 42.828 ( 4.601 17.013 -3.476) 17.964 43.079 ( -7.368 18.086 -0.440) 19.535 43.366 ( 3.684 -8.085 -7.716) 11.767 43.675 ( -11.178 -8.778 -10.573) 17.714 ======================= Grid point 45 (20/60) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -1.996 0.051 1.210) 2.334 1.687 ( 1.996 0.051 1.210) 2.334 1.720 ( -1.266 -0.871 1.913) 2.454 1.720 ( 1.266 -0.871 1.913) 2.454 1.779 ( -0.939 4.531 2.228) 5.136 1.779 ( 0.939 4.531 2.228) 5.136 1.955 ( -3.488 -2.686 -0.736) 4.463 1.955 ( 3.488 -2.686 -0.736) 4.463 2.304 ( -6.233 0.845 1.957) 6.588 2.304 ( 6.233 0.845 1.957) 6.588 2.401 ( -6.852 -4.413 1.462) 8.280 2.401 ( 6.852 -4.413 1.462) 8.280 3.079 ( -17.981 3.231 1.052) 18.299 3.079 ( 17.981 3.231 1.052) 18.299 3.308 ( -8.915 1.532 0.374) 9.054 3.308 ( 8.915 1.532 0.374) 9.054 3.491 ( -10.180 -1.835 -1.236) 10.418 3.491 ( 10.180 -1.835 -1.236) 10.418 3.818 ( -14.342 -4.122 4.855) 15.692 3.818 ( 14.342 -4.122 4.855) 15.692 4.187 ( -11.136 10.960 3.753) 16.070 4.187 ( 11.136 10.960 3.753) 16.070 4.915 ( -12.874 -20.243 -4.194) 24.354 4.915 ( 12.874 -20.243 -4.194) 24.354 5.268 ( -6.823 7.604 -11.001) 15.013 5.268 ( 6.823 7.604 -11.001) 15.013 5.519 ( -4.806 -2.321 -0.637) 5.375 5.519 ( 4.806 -2.321 -0.637) 5.375 5.626 ( -12.064 6.469 2.550) 13.925 5.626 ( 12.064 6.469 2.550) 13.925 5.814 ( -7.669 4.132 5.082) 10.085 5.814 ( 7.669 4.132 5.082) 10.085 5.974 ( -3.303 -5.242 -5.133) 8.046 5.974 ( 3.303 -5.242 -5.133) 8.046 6.196 ( -10.209 0.616 4.738) 11.272 6.196 ( 10.209 0.616 4.738) 11.272 6.781 ( -26.830 8.098 8.883) 29.400 6.781 ( 26.830 8.098 8.883) 29.400 7.010 ( -14.983 -5.037 10.037) 18.725 7.010 ( 14.983 -5.037 10.037) 18.725 7.245 ( -6.120 6.708 5.493) 10.612 7.245 ( 6.120 6.708 5.493) 10.612 7.524 ( -3.382 -3.953 0.963) 5.291 7.524 ( 3.382 -3.953 0.963) 5.291 7.717 ( -13.539 1.592 -0.716) 13.651 7.717 ( 13.539 1.592 -0.716) 13.651 8.007 ( -16.833 -10.408 2.255) 19.919 8.007 ( 16.833 -10.408 2.255) 19.919 8.564 ( -6.314 12.464 -1.290) 14.032 8.564 ( 6.314 12.464 -1.290) 14.032 9.036 ( -3.626 0.930 -5.403) 6.573 9.036 ( 3.626 0.930 -5.403) 6.573 9.223 ( -5.240 2.010 -9.571) 11.095 9.223 ( 5.240 2.010 -9.571) 11.095 9.434 ( -3.479 8.803 -7.857) 12.301 9.434 ( 3.479 8.803 -7.857) 12.301 9.945 ( -17.617 -6.458 -10.684) 21.592 9.945 ( 17.617 -6.458 -10.684) 21.592 10.292 ( -11.550 -15.670 -3.061) 19.706 10.292 ( 11.550 -15.670 -3.061) 19.706 10.507 ( -7.423 -7.495 -10.655) 14.994 10.507 ( 7.423 -7.495 -10.655) 14.994 10.704 ( -0.180 -9.574 -13.501) 16.552 10.704 ( 0.180 -9.574 -13.501) 16.552 11.081 ( -4.157 9.836 -2.308) 10.925 11.081 ( 4.157 9.836 -2.308) 10.925 11.258 ( -3.997 -2.134 2.759) 5.305 11.258 ( 3.997 -2.134 2.759) 5.305 11.330 ( -4.441 -0.451 -1.391) 4.675 11.330 ( 4.441 -0.451 -1.391) 4.675 11.695 ( -5.844 -1.021 4.476) 7.431 11.695 ( 5.844 -1.021 4.476) 7.431 11.958 ( -0.520 2.085 9.958) 10.187 11.958 ( 0.520 2.085 9.958) 10.187 12.221 ( -8.609 -4.791 -0.236) 9.855 12.221 ( 8.609 -4.791 -0.236) 9.855 12.532 ( -12.822 16.027 10.045) 22.852 12.532 ( 12.822 16.027 10.045) 22.852 12.949 ( -9.878 -0.658 0.746) 9.928 12.949 ( 9.878 -0.658 0.746) 9.928 13.632 ( -21.263 20.798 -0.411) 29.746 13.632 ( 21.263 20.798 -0.411) 29.746 14.512 ( -16.169 -18.017 1.352) 24.246 14.512 ( 16.169 -18.017 1.352) 24.246 14.978 ( -11.212 -1.124 13.025) 17.223 14.978 ( 11.212 -1.124 13.025) 17.223 15.377 ( -26.425 -8.822 1.516) 27.900 15.377 ( 26.425 -8.822 1.516) 27.900 15.819 ( -17.597 8.420 0.983) 19.532 15.819 ( 17.597 8.420 0.983) 19.532 16.228 ( -30.590 -7.255 -1.262) 31.464 16.228 ( 30.590 -7.255 -1.262) 31.464 16.626 ( -3.333 11.037 1.469) 11.623 16.626 ( 3.333 11.037 1.469) 11.623 17.058 ( -9.554 0.085 -3.326) 10.116 17.058 ( 9.554 0.085 -3.326) 10.116 17.384 ( -6.532 -2.798 1.049) 7.183 17.384 ( 6.532 -2.798 1.049) 7.183 17.417 ( -4.050 -1.481 -0.690) 4.367 17.417 ( 4.050 -1.481 -0.690) 4.367 17.530 ( -5.538 1.946 1.430) 6.042 17.530 ( 5.538 1.946 1.430) 6.042 17.643 ( -10.315 -2.142 -0.343) 10.540 17.643 ( 10.315 -2.142 -0.343) 10.540 17.952 ( -21.459 8.106 -3.059) 23.142 17.952 ( 21.459 8.106 -3.059) 23.142 18.511 ( -9.076 -19.137 -7.525) 22.477 18.511 ( 9.076 -19.137 -7.525) 22.477 19.312 ( -2.132 14.774 -0.175) 14.928 19.312 ( 2.132 14.774 -0.175) 14.928 19.775 ( -1.516 -7.292 6.152) 9.660 19.775 ( 1.516 -7.292 6.152) 9.660 20.382 ( -1.876 0.168 -1.706) 2.541 20.382 ( 1.876 0.168 -1.706) 2.541 20.441 ( -1.617 -2.912 -0.938) 3.460 20.441 ( 1.617 -2.912 -0.938) 3.460 20.745 ( -3.886 4.720 -1.862) 6.391 20.745 ( 3.886 4.720 -1.862) 6.391 20.856 ( -5.967 -0.370 -0.175) 5.981 20.856 ( 5.967 -0.370 -0.175) 5.981 21.074 ( -0.920 9.071 -0.570) 9.135 21.074 ( 0.920 9.071 -0.570) 9.135 21.252 ( -4.622 -1.177 -6.458) 8.028 21.252 ( 4.622 -1.177 -6.458) 8.028 21.336 ( -6.232 2.597 -3.749) 7.722 21.336 ( 6.232 2.597 -3.749) 7.722 21.568 ( -7.671 -5.384 1.039) 9.429 21.568 ( 7.671 -5.384 1.039) 9.429 21.857 ( -5.691 -0.443 3.708) 6.807 21.857 ( 5.691 -0.443 3.708) 6.807 22.035 ( -5.085 -5.704 8.814) 11.665 22.035 ( 5.085 -5.704 8.814) 11.665 22.663 ( -3.014 5.686 -5.464) 8.442 22.663 ( 3.014 5.686 -5.464) 8.442 22.741 ( -4.982 0.219 -5.105) 7.137 22.741 ( 4.982 0.219 -5.105) 7.137 22.905 ( -8.353 -1.659 -2.030) 8.754 22.905 ( 8.353 -1.659 -2.030) 8.754 23.149 ( -3.994 -6.429 5.919) 9.608 23.149 ( 3.994 -6.429 5.919) 9.608 23.333 ( -5.170 0.636 4.126) 6.645 23.333 ( 5.170 0.636 4.126) 6.645 23.366 ( -5.310 -0.696 0.829) 5.419 23.366 ( 5.310 -0.696 0.829) 5.419 23.463 ( -4.889 6.863 1.808) 8.619 23.463 ( 4.889 6.863 1.808) 8.619 23.621 ( -6.620 6.626 6.084) 11.169 23.621 ( 6.620 6.626 6.084) 11.169 23.911 ( -9.769 -3.816 0.972) 10.533 23.911 ( 9.769 -3.816 0.972) 10.533 24.098 ( -7.948 -6.113 5.531) 11.451 24.098 ( 7.948 -6.113 5.531) 11.451 24.274 ( -9.615 1.202 0.481) 9.702 24.274 ( 9.615 1.202 0.481) 9.702 24.594 ( -8.604 -3.866 0.822) 9.468 24.594 ( 8.604 -3.866 0.822) 9.468 24.670 ( -5.012 4.942 -0.077) 7.039 24.670 ( 5.012 4.942 -0.077) 7.039 24.936 ( -3.213 -2.925 -3.102) 5.338 24.936 ( 3.213 -2.925 -3.102) 5.338 26.355 ( -4.031 12.202 -7.212) 14.737 26.355 ( 4.031 12.202 -7.212) 14.737 26.868 ( -6.637 -9.888 -9.888) 15.479 26.868 ( 6.637 -9.888 -9.888) 15.479 27.245 ( -3.187 0.791 3.086) 4.506 27.245 ( 3.187 0.791 3.086) 4.506 27.283 ( -4.274 0.467 2.088) 4.780 27.283 ( 4.274 0.467 2.088) 4.780 30.344 ( -12.718 3.110 -0.496) 13.102 30.344 ( 12.718 3.110 -0.496) 13.102 30.617 ( -8.979 -11.006 0.415) 14.210 30.617 ( 8.979 -11.006 0.415) 14.210 31.101 ( -3.786 8.115 2.193) 9.219 31.101 ( 3.786 8.115 2.193) 9.219 31.181 ( -1.985 6.174 3.743) 7.488 31.181 ( 1.985 6.174 3.743) 7.488 31.431 ( -2.592 -0.869 2.508) 3.710 31.431 ( 2.592 -0.869 2.508) 3.710 31.643 ( -1.877 -6.105 2.352) 6.807 31.643 ( 1.877 -6.105 2.352) 6.807 36.250 ( -7.851 3.262 -2.549) 8.875 36.250 ( 7.851 3.262 -2.549) 8.875 36.374 ( -4.839 -2.007 -2.742) 5.913 36.374 ( 4.839 -2.007 -2.742) 5.913 37.529 ( -20.723 9.054 -0.318) 22.616 37.529 ( 20.723 9.054 -0.318) 22.616 38.158 ( -18.722 -19.037 -6.887) 27.574 38.158 ( 18.722 -19.037 -6.887) 27.574 39.887 ( -8.511 0.156 2.298) 8.818 39.887 ( 8.511 0.156 2.298) 8.818 39.923 ( -7.161 -0.260 1.978) 7.434 39.923 ( 7.161 -0.260 1.978) 7.434 40.679 ( -2.473 5.639 -12.058) 13.539 40.679 ( 2.473 5.639 -12.058) 13.539 40.861 ( -7.346 5.484 -16.809) 19.147 40.861 ( 7.346 5.484 -16.809) 19.147 41.602 ( -11.239 0.046 13.739) 17.751 41.602 ( 11.239 0.046 13.739) 17.751 41.878 ( -4.939 -8.658 13.478) 16.763 41.878 ( 4.939 -8.658 13.478) 16.763 42.940 ( -6.667 16.054 -1.463) 17.445 42.940 ( 6.667 16.054 -1.463) 17.445 43.480 ( -8.097 -8.383 -8.181) 14.239 43.480 ( 8.097 -8.383 -8.181) 14.239 ======================= Grid point 49 (21/60) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.000 -27.859 4.216) 28.176 1.366 ( 0.000 27.859 4.216) 28.176 1.496 ( 0.000 -2.873 3.147) 4.261 1.496 ( 0.000 2.873 3.147) 4.261 1.842 ( 0.000 -0.219 0.070) 0.230 1.842 ( 0.000 0.219 0.070) 0.230 2.055 ( 0.000 -1.201 -2.291) 2.587 2.055 ( 0.000 1.201 -2.291) 2.587 2.108 ( 0.000 -11.249 3.594) 11.809 2.108 ( 0.000 11.249 3.594) 11.809 2.184 ( 0.000 -5.222 0.925) 5.303 2.184 ( 0.000 5.222 0.925) 5.303 2.718 ( 0.000 -7.283 7.491) 10.448 2.718 ( 0.000 7.283 7.491) 10.448 2.922 ( 0.000 -0.229 13.459) 13.461 2.922 ( 0.000 0.229 13.459) 13.461 2.927 ( 0.000 -3.531 1.840) 3.982 2.927 ( 0.000 3.531 1.840) 3.982 3.622 ( 0.000 -15.904 2.859) 16.159 3.622 ( 0.000 15.904 2.859) 16.159 4.285 ( 0.000 -8.078 7.861) 11.272 4.285 ( 0.000 8.078 7.861) 11.272 4.625 ( 0.000 -5.795 1.034) 5.887 4.625 ( 0.000 5.795 1.034) 5.887 5.094 ( 0.000 -3.305 2.564) 4.183 5.094 ( 0.000 3.305 2.564) 4.183 5.576 ( 0.000 -15.490 -0.644) 15.503 5.576 ( 0.000 15.490 -0.644) 15.503 5.772 ( 0.000 -19.388 -7.538) 20.801 5.772 ( 0.000 19.388 -7.538) 20.801 6.116 ( 0.000 -7.440 -0.223) 7.443 6.116 ( 0.000 7.440 -0.223) 7.443 6.438 ( 0.000 -2.630 0.216) 2.639 6.438 ( 0.000 2.630 0.216) 2.639 6.663 ( 0.000 -10.605 0.737) 10.631 6.663 ( 0.000 10.605 0.737) 10.631 6.818 ( 0.000 -20.529 2.053) 20.631 6.818 ( 0.000 20.529 2.053) 20.631 7.059 ( 0.000 -1.611 -9.409) 9.546 7.059 ( 0.000 1.611 -9.409) 9.546 7.125 ( 0.000 -5.172 4.641) 6.949 7.125 ( 0.000 5.172 4.641) 6.949 7.249 ( 0.000 -1.685 -0.141) 1.691 7.249 ( 0.000 1.685 -0.141) 1.691 7.629 ( 0.000 -7.359 -0.418) 7.371 7.629 ( 0.000 7.359 -0.418) 7.371 7.811 ( 0.000 -2.234 4.370) 4.908 7.811 ( 0.000 2.234 4.370) 4.908 8.742 ( 0.000 -5.699 -4.114) 7.028 8.742 ( 0.000 5.699 -4.114) 7.028 8.982 ( 0.000 -25.208 -14.681) 29.171 8.982 ( 0.000 25.208 -14.681) 29.171 9.343 ( 0.000 -1.399 1.354) 1.946 9.343 ( 0.000 1.399 1.354) 1.946 9.572 ( 0.000 -1.709 4.151) 4.489 9.572 ( 0.000 1.709 4.151) 4.489 9.703 ( 0.000 -7.694 -11.899) 14.170 9.703 ( 0.000 7.694 -11.899) 14.170 10.256 ( 0.000 -15.510 -6.072) 16.656 10.256 ( 0.000 15.510 -6.072) 16.656 10.372 ( 0.000 -3.981 -18.647) 19.067 10.372 ( 0.000 3.981 -18.647) 19.067 10.742 ( 0.000 -1.610 3.757) 4.088 10.742 ( 0.000 1.610 3.757) 4.088 11.004 ( 0.000 -12.987 -4.273) 13.672 11.004 ( 0.000 12.987 -4.273) 13.672 11.401 ( 0.000 -15.193 -5.407) 16.126 11.401 ( 0.000 15.193 -5.407) 16.126 11.620 ( 0.000 -2.516 -10.687) 10.979 11.620 ( 0.000 2.516 -10.687) 10.979 11.800 ( 0.000 -12.232 2.727) 12.532 11.800 ( 0.000 12.232 2.727) 12.532 11.870 ( 0.000 -3.644 -1.034) 3.788 11.870 ( 0.000 3.644 -1.034) 3.788 12.397 ( 0.000 -0.586 14.727) 14.739 12.397 ( 0.000 0.586 14.727) 14.739 12.565 ( 0.000 -5.417 9.664) 11.079 12.565 ( 0.000 5.417 9.664) 11.079 12.807 ( 0.000 -25.909 18.759) 31.987 12.807 ( 0.000 25.909 18.759) 31.987 13.752 ( 0.000 -16.785 1.604) 16.862 13.752 ( 0.000 16.785 1.604) 16.862 14.516 ( 0.000 -15.133 -1.997) 15.264 14.516 ( 0.000 15.133 -1.997) 15.264 14.653 ( 0.000 -12.722 3.051) 13.083 14.653 ( 0.000 12.722 3.051) 13.083 14.934 ( 0.000 -8.854 5.129) 10.232 14.934 ( 0.000 8.854 5.129) 10.232 15.495 ( 0.000 -1.715 1.300) 2.152 15.495 ( 0.000 1.715 1.300) 2.152 16.591 ( 0.000 -16.530 -3.086) 16.815 16.591 ( 0.000 16.530 -3.086) 16.815 16.784 ( 0.000 -1.004 -1.279) 1.626 16.784 ( 0.000 1.004 -1.279) 1.626 16.871 ( 0.000 -7.428 3.223) 8.097 16.871 ( 0.000 7.428 3.223) 8.097 17.380 ( 0.000 -3.576 -3.191) 4.793 17.380 ( 0.000 3.576 -3.191) 4.793 17.529 ( 0.000 -2.211 -2.950) 3.687 17.529 ( 0.000 2.211 -2.950) 3.687 17.702 ( 0.000 -8.267 0.228) 8.270 17.702 ( 0.000 8.267 0.228) 8.270 18.209 ( 0.000 -12.461 -0.022) 12.461 18.209 ( 0.000 12.461 -0.022) 12.461 18.309 ( 0.000 -11.076 0.104) 11.077 18.309 ( 0.000 11.076 0.104) 11.077 18.671 ( 0.000 -8.155 -2.968) 8.679 18.671 ( 0.000 8.155 -2.968) 8.679 19.262 ( 0.000 -8.725 -2.021) 8.956 19.262 ( 0.000 8.725 -2.021) 8.956 19.512 ( 0.000 -26.274 10.678) 28.361 19.512 ( 0.000 26.274 10.678) 28.361 20.298 ( 0.000 -6.437 -0.579) 6.463 20.298 ( 0.000 6.437 -0.579) 6.463 20.333 ( 0.000 -5.119 0.956) 5.207 20.333 ( 0.000 5.119 0.956) 5.207 20.589 ( 0.000 -6.079 -2.691) 6.648 20.589 ( 0.000 6.079 -2.691) 6.648 20.886 ( 0.000 -2.170 -7.282) 7.598 20.886 ( 0.000 2.170 -7.282) 7.598 20.954 ( 0.000 -3.089 -2.549) 4.005 20.954 ( 0.000 3.089 -2.549) 4.005 21.136 ( 0.000 -7.923 1.526) 8.068 21.136 ( 0.000 7.923 1.526) 8.068 21.463 ( 0.000 -7.316 -13.525) 15.376 21.463 ( 0.000 7.316 -13.525) 15.376 21.536 ( 0.000 -5.352 -1.383) 5.528 21.536 ( 0.000 5.352 -1.383) 5.528 21.787 ( 0.000 -5.900 1.286) 6.039 21.787 ( 0.000 5.900 1.286) 6.039 22.066 ( 0.000 -7.921 7.344) 10.802 22.066 ( 0.000 7.921 7.344) 10.802 22.342 ( 0.000 -12.226 5.601) 13.448 22.342 ( 0.000 12.226 5.601) 13.448 22.744 ( 0.000 -9.575 -0.402) 9.583 22.744 ( 0.000 9.575 -0.402) 9.583 22.970 ( 0.000 -8.681 -1.641) 8.835 22.970 ( 0.000 8.681 -1.641) 8.835 23.038 ( 0.000 -0.904 -2.610) 2.762 23.038 ( 0.000 0.904 -2.610) 2.762 23.146 ( 0.000 -6.577 0.505) 6.596 23.146 ( 0.000 6.577 0.505) 6.596 23.435 ( 0.000 -1.495 -2.931) 3.290 23.435 ( 0.000 1.495 -2.931) 3.290 23.454 ( 0.000 -6.275 2.475) 6.745 23.454 ( 0.000 6.275 2.475) 6.745 23.830 ( 0.000 -4.795 9.072) 10.261 23.830 ( 0.000 4.795 9.072) 10.261 23.953 ( 0.000 -15.315 -8.919) 17.722 23.953 ( 0.000 15.315 -8.919) 17.722 24.226 ( 0.000 -0.425 1.730) 1.782 24.226 ( 0.000 0.425 1.730) 1.782 24.364 ( 0.000 -3.226 1.208) 3.445 24.364 ( 0.000 3.226 1.208) 3.445 24.726 ( 0.000 -0.887 -5.787) 5.855 24.726 ( 0.000 0.887 -5.787) 5.855 25.202 ( 0.000 -0.640 -1.260) 1.413 25.202 ( 0.000 0.640 -1.260) 1.413 25.567 ( 0.000 -10.306 16.187) 19.190 25.567 ( 0.000 10.306 16.187) 19.190 25.945 ( 0.000 -1.538 -1.330) 2.033 25.945 ( 0.000 1.538 -1.330) 2.033 26.329 ( 0.000 -5.521 -2.239) 5.958 26.329 ( 0.000 5.521 -2.239) 5.958 27.017 ( 0.000 -2.859 3.396) 4.439 27.017 ( 0.000 2.859 3.396) 4.439 27.237 ( 0.000 -6.635 4.259) 7.884 27.237 ( 0.000 6.635 4.259) 7.884 29.938 ( 0.000 -9.788 2.601) 10.128 29.938 ( 0.000 9.788 2.601) 10.128 31.008 ( 0.000 -3.005 1.959) 3.587 31.008 ( 0.000 3.005 1.959) 3.587 31.023 ( 0.000 -0.571 2.622) 2.683 31.023 ( 0.000 0.571 2.622) 2.683 31.287 ( 0.000 -1.273 -0.189) 1.287 31.287 ( 0.000 1.273 -0.189) 1.287 31.378 ( 0.000 -12.151 -0.794) 12.177 31.378 ( 0.000 12.151 -0.794) 12.177 31.480 ( 0.000 -3.015 1.368) 3.311 31.480 ( 0.000 3.015 1.368) 3.311 36.217 ( 0.000 -1.378 -10.824) 10.911 36.217 ( 0.000 1.378 -10.824) 10.911 36.369 ( 0.000 -3.927 -7.181) 8.185 36.369 ( 0.000 3.927 -7.181) 8.185 36.821 ( 0.000 -3.833 14.604) 15.098 36.821 ( 0.000 3.833 14.604) 15.098 38.501 ( 0.000 -14.735 -4.075) 15.288 38.501 ( 0.000 14.735 -4.075) 15.288 39.433 ( 0.000 -1.278 2.489) 2.798 39.433 ( 0.000 1.278 2.489) 2.798 40.332 ( 0.000 -3.755 -6.097) 7.160 40.332 ( 0.000 3.755 -6.097) 7.160 40.405 ( 0.000 -3.792 -6.648) 7.653 40.405 ( 0.000 3.792 -6.648) 7.653 41.059 ( 0.000 -20.004 5.645) 20.785 41.059 ( 0.000 20.004 5.645) 20.785 41.276 ( 0.000 -9.149 -10.940) 14.262 41.276 ( 0.000 9.149 -10.940) 14.262 42.557 ( 0.000 -3.657 17.138) 17.524 42.557 ( 0.000 3.657 17.138) 17.524 43.090 ( 0.000 -15.762 -7.842) 17.604 43.090 ( 0.000 15.762 -7.842) 17.604 43.786 ( 0.000 -10.832 -22.304) 24.795 43.786 ( 0.000 10.832 -22.304) 24.795 ======================= Grid point 51 (22/60) ======================= q-point: ( 0.17 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 3.170 -6.116 3.905) 7.919 1.471 ( 3.170 6.116 3.905) 7.919 1.563 ( 10.486 -11.695 5.143) 16.528 1.563 ( 10.486 11.695 5.143) 16.528 1.839 ( -0.252 -0.657 0.180) 0.726 1.839 ( -0.252 0.657 0.180) 0.726 1.990 ( -5.118 -11.967 7.184) 14.866 1.990 ( -5.118 11.967 7.184) 14.866 2.046 ( -0.529 -7.327 1.201) 7.443 2.046 ( -0.529 7.327 1.201) 7.443 2.256 ( 8.195 -8.696 -0.126) 11.949 2.256 ( 8.195 8.696 -0.126) 11.949 2.581 ( 3.231 -6.173 3.100) 7.626 2.581 ( 3.231 6.173 3.100) 7.626 2.841 ( 2.576 -1.620 0.951) 3.188 2.841 ( 2.576 1.620 0.951) 3.188 3.514 ( 15.655 -21.161 1.449) 26.362 3.514 ( 15.655 21.161 1.449) 26.362 3.936 ( 35.371 -10.040 6.962) 37.422 3.936 ( 35.371 10.040 6.962) 37.422 4.189 ( -7.354 -9.822 9.052) 15.248 4.189 ( -7.354 9.822 9.052) 15.248 4.624 ( 1.466 -9.694 0.581) 9.821 4.624 ( 1.466 9.694 0.581) 9.821 5.073 ( -3.141 -5.260 1.052) 6.216 5.073 ( -3.141 5.260 1.052) 6.216 5.517 ( -5.265 -15.533 -2.677) 16.618 5.517 ( -5.265 15.533 -2.677) 16.618 5.821 ( 3.826 -13.838 -6.546) 15.779 5.821 ( 3.826 13.838 -6.546) 15.779 5.990 ( -12.110 -5.670 -4.517) 14.114 5.990 ( -12.110 5.670 -4.517) 14.114 6.323 ( -10.391 -3.833 -0.040) 11.076 6.323 ( -10.391 3.833 -0.040) 11.076 6.479 ( -11.941 -3.704 4.724) 13.365 6.479 ( -11.941 3.704 4.724) 13.365 6.769 ( -16.934 -5.799 5.957) 18.865 6.769 ( -16.934 5.799 5.957) 18.865 6.974 ( 6.332 -17.170 -7.786) 19.888 6.974 ( 6.332 17.170 -7.786) 19.888 7.145 ( 3.361 -4.464 3.752) 6.730 7.145 ( 3.361 4.464 3.752) 6.730 7.270 ( 6.911 -0.502 1.824) 7.166 7.270 ( 6.911 0.502 1.824) 7.166 7.700 ( 3.230 -1.594 12.767) 13.265 7.700 ( 3.230 1.594 12.767) 13.265 8.182 ( 25.645 -6.644 -9.803) 28.247 8.182 ( 25.645 6.644 -9.803) 28.247 8.631 ( -13.917 -3.309 0.612) 14.318 8.631 ( -13.917 3.309 0.612) 14.318 8.914 ( -2.968 -22.012 -10.321) 24.492 8.914 ( -2.968 22.012 -10.321) 24.492 9.365 ( 1.154 -15.264 -4.641) 15.996 9.365 ( 1.154 15.264 -4.641) 15.996 9.555 ( -2.769 -6.047 -1.990) 6.943 9.555 ( -2.769 6.047 -1.990) 6.943 9.676 ( 0.128 -4.621 -6.486) 7.965 9.676 ( 0.128 4.621 -6.486) 7.965 10.262 ( -1.018 -4.161 -9.496) 10.417 10.262 ( -1.018 4.161 -9.496) 10.417 10.311 ( -3.807 -6.511 -16.357) 18.012 10.311 ( -3.807 6.511 -16.357) 18.012 10.808 ( 6.317 -3.832 -0.520) 7.406 10.808 ( 6.317 3.832 -0.520) 7.406 11.014 ( -0.494 -7.473 -1.714) 7.683 11.014 ( -0.494 7.473 -1.714) 7.683 11.303 ( -3.362 -10.421 -1.917) 11.116 11.303 ( -3.362 10.421 -1.917) 11.116 11.543 ( -6.255 -5.377 -2.005) 8.489 11.543 ( -6.255 5.377 -2.005) 8.489 11.713 ( -3.139 -2.229 -2.494) 4.587 11.713 ( -3.139 2.229 -2.494) 4.587 12.038 ( 1.625 -1.812 1.703) 2.971 12.038 ( 1.625 1.812 1.703) 2.971 12.419 ( -7.064 -3.074 9.015) 11.858 12.419 ( -7.064 3.074 9.015) 11.858 12.599 ( 10.248 -5.642 6.273) 13.274 12.599 ( 10.248 5.642 6.273) 13.274 12.890 ( 9.501 -20.315 16.013) 27.557 12.890 ( 9.501 20.315 16.013) 27.557 13.589 ( -9.433 -11.860 1.299) 15.209 13.589 ( -9.433 11.860 1.299) 15.209 14.471 ( -4.908 -18.978 2.023) 19.707 14.471 ( -4.908 18.978 2.023) 19.707 14.740 ( 3.809 -7.457 5.222) 9.868 14.740 ( 3.809 7.457 5.222) 9.868 15.032 ( 13.571 -7.189 1.763) 15.458 15.032 ( 13.571 7.189 1.763) 15.458 15.528 ( 1.976 -14.558 1.292) 14.748 15.528 ( 1.976 14.558 1.292) 14.748 16.569 ( -2.941 -19.732 -1.974) 20.047 16.569 ( -2.941 19.732 -1.974) 20.047 16.853 ( 5.812 -1.558 -0.220) 6.021 16.853 ( 5.812 1.558 -0.220) 6.021 17.056 ( 17.395 -8.690 -0.473) 19.451 17.056 ( 17.395 8.690 -0.473) 19.451 17.248 ( -14.747 -3.705 -2.543) 15.417 17.248 ( -14.747 3.705 -2.543) 15.417 17.465 ( -3.386 -2.813 -1.294) 4.588 17.465 ( -3.386 2.813 -1.294) 4.588 17.626 ( -8.030 -4.581 0.411) 9.254 17.626 ( -8.030 4.581 0.411) 9.254 18.001 ( -12.892 -10.331 -1.263) 16.569 18.001 ( -12.892 10.331 -1.263) 16.569 18.191 ( -11.308 -13.411 0.908) 17.566 18.191 ( -11.308 13.411 0.908) 17.566 18.726 ( -5.018 -6.692 -4.294) 9.402 18.726 ( -5.018 6.692 -4.294) 9.402 19.266 ( 6.219 -6.420 -0.250) 8.942 19.266 ( 6.219 6.420 -0.250) 8.942 19.513 ( 1.445 -17.998 9.384) 20.349 19.513 ( 1.445 17.998 9.384) 20.349 20.331 ( 2.439 -4.574 -0.902) 5.262 20.331 ( 2.439 4.574 -0.902) 5.262 20.365 ( 2.208 -3.454 0.646) 4.150 20.365 ( 2.208 3.454 0.646) 4.150 20.609 ( 2.225 -4.555 -1.914) 5.419 20.609 ( 2.225 4.555 -1.914) 5.419 20.952 ( 5.059 -0.237 -6.072) 7.907 20.952 ( 5.059 0.237 -6.072) 7.907 20.993 ( 3.360 -4.077 -3.725) 6.464 20.993 ( 3.360 4.077 -3.725) 6.464 21.175 ( 4.091 -4.845 1.656) 6.554 21.175 ( 4.091 4.845 1.656) 6.554 21.389 ( -5.185 -5.320 -10.607) 12.950 21.389 ( -5.185 5.320 -10.607) 12.950 21.601 ( 2.013 -2.957 -3.360) 4.907 21.601 ( 2.013 2.957 -3.360) 4.907 21.868 ( 4.679 -3.643 0.119) 5.931 21.868 ( 4.679 3.643 0.119) 5.931 22.014 ( -2.899 -7.425 8.358) 11.550 22.014 ( -2.899 7.425 8.358) 11.550 22.409 ( 7.308 -10.453 3.887) 13.334 22.409 ( 7.308 10.453 3.887) 13.334 22.721 ( -0.986 -11.503 -1.466) 11.638 22.721 ( -0.986 11.503 -1.466) 11.638 22.958 ( -2.634 -6.128 -4.265) 7.916 22.958 ( -2.634 6.128 -4.265) 7.916 23.029 ( 0.003 -3.463 -0.917) 3.582 23.029 ( 0.003 3.463 -0.917) 3.582 23.156 ( 2.924 -1.658 4.214) 5.391 23.156 ( 2.924 1.658 4.214) 5.391 23.416 ( -1.713 -3.974 3.523) 5.580 23.416 ( -1.713 3.974 3.523) 5.580 23.502 ( 3.453 -3.006 -1.263) 4.749 23.502 ( 3.453 3.006 -1.263) 4.749 23.778 ( -4.507 -6.668 6.096) 10.096 23.778 ( -4.507 6.668 6.096) 10.096 24.014 ( 5.609 -11.269 -4.587) 13.397 24.014 ( 5.609 11.269 -4.587) 13.397 24.191 ( -4.027 -2.381 1.108) 4.808 24.191 ( -4.027 2.381 1.108) 4.808 24.288 ( -7.165 -2.831 1.614) 7.871 24.288 ( -7.165 2.831 1.614) 7.871 24.736 ( 0.108 -2.649 -4.079) 4.865 24.736 ( 0.108 2.649 -4.079) 4.865 25.028 ( -20.528 -10.604 4.387) 23.518 25.028 ( -20.528 10.604 4.387) 23.518 25.153 ( -14.591 -3.695 6.813) 16.522 25.153 ( -14.591 3.695 6.813) 16.522 26.309 ( 14.066 -13.844 -6.054) 20.644 26.309 ( 14.066 13.844 -6.054) 20.644 26.436 ( 11.623 -6.021 -1.484) 13.174 26.436 ( 11.623 6.021 -1.484) 13.174 27.082 ( 5.157 -3.269 0.738) 6.151 27.082 ( 5.157 3.269 0.738) 6.151 27.270 ( 3.145 -4.924 5.109) 7.761 27.270 ( 3.145 4.924 5.109) 7.761 30.013 ( 7.312 -9.241 2.103) 11.970 30.013 ( 7.312 9.241 2.103) 11.970 30.884 ( -8.991 -1.348 -0.887) 9.135 30.884 ( -8.991 1.348 -0.887) 9.135 31.058 ( 1.885 -4.045 4.790) 6.546 31.058 ( 1.885 4.045 4.790) 6.546 31.327 ( 1.384 -2.771 1.765) 3.565 31.327 ( 1.384 2.771 1.765) 3.565 31.395 ( 2.471 -6.765 -0.773) 7.243 31.395 ( 2.471 6.765 -0.773) 7.243 31.485 ( 0.501 -4.727 1.652) 5.032 31.485 ( 0.501 4.727 1.652) 5.032 36.172 ( -0.772 -4.853 -6.432) 8.095 36.172 ( -0.772 4.853 -6.432) 8.095 36.460 ( 2.710 -3.666 -8.035) 9.238 36.460 ( 2.710 3.666 -8.035) 9.238 36.960 ( 15.187 -10.305 9.675) 20.747 36.960 ( 15.187 10.305 9.675) 20.747 38.406 ( -9.322 -15.305 -4.137) 18.392 38.406 ( -9.322 15.305 -4.137) 18.392 39.514 ( 7.566 -1.672 2.616) 8.178 39.514 ( 7.566 1.672 2.616) 8.178 40.241 ( -6.448 -1.575 -1.242) 6.753 40.241 ( -6.448 1.575 -1.242) 6.753 40.504 ( 7.066 -4.295 -12.186) 14.727 40.504 ( 7.066 4.295 -12.186) 14.727 41.041 ( -2.160 -11.342 -2.971) 11.922 41.041 ( -2.160 11.342 -2.971) 11.922 41.316 ( 4.383 -2.786 -1.480) 5.400 41.316 ( 4.383 2.786 -1.480) 5.400 42.392 ( -15.459 -4.246 16.831) 23.244 42.392 ( -15.459 4.246 16.831) 23.244 43.100 ( 1.149 -15.472 -7.319) 17.154 43.100 ( 1.149 15.472 -7.319) 17.154 43.653 ( -11.211 -16.275 -15.444) 25.081 43.653 ( -11.211 16.275 -15.444) 25.081 ======================= Grid point 53 (23/60) ======================= q-point: ( 0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 7.768 -1.775 2.023) 8.221 1.581 ( 7.768 1.775 2.023) 8.221 1.709 ( 2.925 -3.477 2.667) 5.268 1.709 ( 2.925 3.477 2.667) 5.268 1.845 ( 1.061 -2.324 0.125) 2.558 1.845 ( 1.061 2.324 0.125) 2.558 1.927 ( -2.868 -8.392 2.379) 9.182 1.927 ( -2.868 8.392 2.379) 9.182 2.138 ( 9.753 -5.734 4.374) 12.130 2.138 ( 9.753 5.734 4.374) 12.130 2.401 ( 2.304 -5.467 0.636) 5.967 2.401 ( 2.304 5.467 0.636) 5.967 2.794 ( 16.497 -1.637 1.224) 16.623 2.794 ( 16.497 1.637 1.224) 16.623 3.051 ( 20.510 -7.470 0.343) 21.831 3.051 ( 20.510 7.470 0.343) 21.831 3.638 ( -4.135 -13.737 -1.884) 14.469 3.638 ( -4.135 13.737 -1.884) 14.469 3.929 ( -11.409 -14.701 9.698) 20.985 3.929 ( -11.409 14.701 9.698) 20.985 4.366 ( 0.922 -4.305 0.665) 4.452 4.366 ( 0.922 4.305 0.665) 4.452 4.855 ( -11.812 -13.550 -5.131) 18.694 4.855 ( -11.812 13.550 -5.131) 18.694 5.040 ( 28.174 -12.672 0.746) 30.902 5.040 ( 28.174 12.672 0.746) 30.902 5.452 ( 1.554 -9.815 -0.926) 9.981 5.452 ( 1.554 9.815 -0.926) 9.981 5.702 ( -12.752 -9.037 -10.270) 18.702 5.702 ( -12.752 9.037 -10.270) 18.702 5.919 ( 3.142 -9.710 -4.144) 11.015 5.919 ( 3.142 9.710 -4.144) 11.015 6.129 ( -11.519 -0.883 9.755) 15.120 6.129 ( -11.519 0.883 9.755) 15.120 6.236 ( -9.237 -10.956 7.679) 16.258 6.236 ( -9.237 10.956 7.679) 16.258 6.590 ( 4.703 -3.541 6.875) 9.051 6.590 ( 4.703 3.541 6.875) 9.051 7.095 ( 0.259 -2.218 0.635) 2.321 7.095 ( 0.259 2.218 0.635) 2.321 7.276 ( 6.956 -9.552 -0.262) 11.819 7.276 ( 6.956 9.552 -0.262) 11.819 7.444 ( 14.705 -5.773 1.228) 15.845 7.444 ( 14.705 5.773 1.228) 15.845 7.666 ( -9.418 -1.188 11.354) 14.800 7.666 ( -9.418 1.188 11.354) 14.800 8.197 ( -22.147 -8.078 0.811) 23.588 8.197 ( -22.147 8.078 0.811) 23.588 8.633 ( 15.155 -11.828 -8.548) 21.039 8.633 ( 15.155 11.828 -8.548) 21.039 8.906 ( -0.166 -16.387 -2.705) 16.610 8.906 ( -0.166 16.387 -2.705) 16.610 9.367 ( 1.523 -11.833 -9.685) 15.367 9.367 ( 1.523 11.833 -9.685) 15.367 9.507 ( -1.891 -11.046 -7.643) 13.565 9.507 ( -1.891 11.046 -7.643) 13.565 9.756 ( 7.854 -4.455 -2.263) 9.309 9.756 ( 7.854 4.455 -2.263) 9.309 10.150 ( -7.129 -13.882 -12.690) 20.114 10.150 ( -7.129 13.882 -12.690) 20.114 10.341 ( 4.238 -11.982 -13.337) 18.423 10.341 ( 4.238 11.982 -13.337) 18.423 10.829 ( -12.522 -4.740 -3.759) 13.907 10.829 ( -12.522 4.740 -3.759) 13.907 11.013 ( 7.436 -6.617 0.792) 9.985 11.013 ( 7.436 6.617 0.792) 9.985 11.310 ( -0.759 -1.915 0.424) 2.103 11.310 ( -0.759 1.915 0.424) 2.103 11.444 ( -1.111 -9.272 -0.418) 9.348 11.444 ( -1.111 9.272 -0.418) 9.348 11.637 ( -5.121 -7.670 -1.202) 9.301 11.637 ( -5.121 7.670 -1.202) 9.301 12.004 ( -0.976 -1.418 4.807) 5.106 12.004 ( -0.976 1.418 4.807) 5.106 12.216 ( -8.570 -5.063 7.674) 12.568 12.216 ( -8.570 5.063 7.674) 12.568 12.721 ( 3.008 -14.071 4.158) 14.978 12.721 ( 3.008 14.071 4.158) 14.978 13.022 ( -4.144 -6.403 4.216) 8.714 13.022 ( -4.144 6.403 4.216) 8.714 13.676 ( 19.851 -19.442 0.384) 27.789 13.676 ( 19.851 19.442 0.384) 27.789 14.332 ( -9.487 -20.529 3.920) 22.953 14.332 ( -9.487 20.529 3.920) 22.953 14.825 ( 8.466 -6.223 9.799) 14.367 14.825 ( 8.466 6.223 9.799) 14.367 15.396 ( 7.054 -10.715 -0.933) 12.862 15.396 ( 7.054 10.715 -0.933) 12.862 15.522 ( 9.195 -7.423 3.619) 12.360 15.522 ( 9.195 7.423 3.619) 12.360 16.459 ( -11.341 -19.703 -1.708) 22.798 16.459 ( -11.341 19.703 -1.708) 22.798 16.898 ( -10.698 -8.157 -0.496) 13.462 16.898 ( -10.698 8.157 -0.496) 13.462 16.978 ( 1.771 -7.348 1.950) 7.806 16.978 ( 1.771 7.348 1.950) 7.806 17.343 ( 5.237 -1.396 -4.201) 6.858 17.343 ( 5.237 1.396 -4.201) 6.858 17.406 ( -5.042 -6.139 0.432) 7.955 17.406 ( -5.042 6.139 0.432) 7.955 17.533 ( 3.971 -2.134 -1.961) 4.916 17.533 ( 3.971 2.134 -1.961) 4.916 17.791 ( -9.680 -4.869 2.027) 11.024 17.791 ( -9.680 4.869 2.027) 11.024 17.968 ( -4.567 -16.104 -0.866) 16.761 17.968 ( -4.567 16.104 -0.866) 16.761 18.491 ( -15.033 -7.064 -6.061) 17.681 18.491 ( -15.033 7.064 -6.061) 17.681 19.457 ( 9.375 -2.681 0.892) 9.792 19.457 ( 9.375 2.681 0.892) 9.792 19.571 ( 3.232 -4.775 6.181) 8.453 19.571 ( 3.232 4.775 6.181) 8.453 20.370 ( 1.655 -2.663 -1.453) 3.455 20.370 ( 1.655 2.663 -1.453) 3.455 20.399 ( 0.956 -1.183 -0.016) 1.522 20.399 ( 0.956 1.183 -0.016) 1.522 20.683 ( 5.464 -3.176 -0.861) 6.379 20.683 ( 5.464 3.176 -0.861) 6.379 20.967 ( -4.693 -3.605 -1.973) 6.238 20.967 ( -4.693 3.605 -1.973) 6.238 21.096 ( 6.780 -1.236 -6.330) 9.358 21.096 ( 6.780 1.236 -6.330) 9.358 21.246 ( 0.307 -3.406 -6.641) 7.470 21.246 ( 0.307 3.406 -6.641) 7.470 21.338 ( 2.741 -4.454 -1.322) 5.395 21.338 ( 2.741 4.454 -1.322) 5.395 21.576 ( -5.170 -4.916 -3.811) 8.088 21.576 ( -5.170 4.916 -3.811) 8.088 21.842 ( -1.065 -6.698 6.969) 9.725 21.842 ( -1.065 6.698 6.969) 9.725 22.004 ( -2.610 -3.406 10.166) 11.034 22.004 ( -2.610 3.406 10.166) 11.034 22.599 ( 9.596 -4.629 -5.061) 11.795 22.599 ( 9.596 4.629 -5.061) 11.795 22.761 ( 4.642 -10.261 -4.887) 12.277 22.761 ( 4.642 10.261 -4.887) 12.277 22.894 ( -1.964 -1.221 -2.256) 3.231 22.894 ( -1.964 1.221 -2.256) 3.231 23.041 ( -0.220 -5.117 1.031) 5.224 23.041 ( -0.220 5.117 1.031) 5.224 23.249 ( 5.606 -1.631 7.374) 9.405 23.249 ( 5.606 1.631 7.374) 9.405 23.386 ( -0.877 -1.716 3.064) 3.620 23.386 ( -0.877 1.716 3.064) 3.620 23.559 ( 2.545 -1.777 1.787) 3.581 23.559 ( 2.545 1.777 1.787) 3.581 23.685 ( -4.136 -6.972 4.884) 9.464 23.685 ( -4.136 6.972 4.884) 9.464 24.036 ( -9.519 -9.275 2.492) 13.523 24.036 ( -9.519 9.275 2.492) 13.523 24.089 ( -7.407 -4.338 4.074) 9.501 24.089 ( -7.407 4.338 4.074) 9.501 24.199 ( 7.091 -15.280 -3.373) 17.180 24.199 ( 7.091 15.280 -3.373) 17.180 24.624 ( -11.321 -1.760 2.741) 11.780 24.624 ( -11.321 1.760 2.741) 11.780 24.801 ( -0.686 -4.685 -4.612) 6.610 24.801 ( -0.686 4.685 -4.612) 6.610 24.948 ( -8.033 -5.246 4.042) 10.412 24.948 ( -8.033 5.246 4.042) 10.412 26.501 ( 8.160 -8.414 -8.167) 14.286 26.501 ( 8.160 8.414 -8.167) 14.286 26.622 ( 4.712 -12.656 -6.753) 15.099 26.622 ( 4.712 12.656 -6.753) 15.099 27.179 ( 4.837 -2.381 0.852) 5.458 27.179 ( 4.837 2.381 0.852) 5.458 27.316 ( 0.243 -3.009 4.055) 5.055 27.316 ( 0.243 3.009 4.055) 5.055 30.202 ( 11.420 -8.093 0.896) 14.025 30.202 ( 11.420 8.093 0.896) 14.025 30.680 ( -11.578 -4.230 -1.279) 12.393 30.680 ( -11.578 4.230 -1.279) 12.393 31.118 ( 4.329 -3.804 4.717) 7.447 31.118 ( 4.329 3.804 4.717) 7.447 31.303 ( -3.284 -2.998 2.743) 5.224 31.303 ( -3.284 2.998 2.743) 5.224 31.459 ( 3.022 -1.181 1.090) 3.423 31.459 ( 3.022 1.181 1.090) 3.423 31.498 ( 0.642 -4.009 1.828) 4.453 31.498 ( 0.642 4.009 1.828) 4.453 36.211 ( 4.326 -5.181 -3.973) 7.832 36.211 ( 4.326 5.181 -3.973) 7.832 36.431 ( -4.507 -2.433 -3.721) 6.331 36.431 ( -4.507 2.433 -3.721) 6.331 37.354 ( 22.570 -17.086 1.126) 28.330 37.354 ( 22.570 17.086 1.126) 28.330 38.153 ( -16.193 -16.508 -3.779) 23.431 38.153 ( -16.193 16.508 -3.779) 23.431 39.697 ( 10.469 -1.627 2.710) 10.936 39.697 ( 10.469 1.627 2.710) 10.936 40.093 ( -8.713 -0.424 1.634) 8.875 40.093 ( -8.713 0.424 1.634) 8.875 40.659 ( 8.516 -1.571 -16.150) 18.325 40.659 ( 8.516 1.571 -16.150) 18.325 40.964 ( -5.681 -2.994 -13.303) 14.772 40.964 ( -5.681 2.994 -13.303) 14.772 41.455 ( 9.881 -2.901 10.671) 14.830 41.455 ( 9.881 2.901 10.671) 14.830 42.036 ( -18.899 -4.375 16.986) 25.784 42.036 ( -18.899 4.375 16.986) 25.784 43.144 ( 3.705 -15.006 -6.459) 16.752 43.144 ( 3.705 15.006 -6.459) 16.752 43.430 ( -10.638 -16.863 -7.917) 21.452 43.430 ( -10.638 16.863 -7.917) 21.452 ======================= Grid point 55 (24/60) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -3.036 -0.638 1.326) 3.374 1.699 ( -2.933 -0.503 1.326) 3.258 1.699 ( 2.933 0.503 1.326) 3.258 1.699 ( 3.036 0.638 1.326) 3.374 1.877 ( -2.070 -5.270 0.601) 5.694 1.877 ( 2.008 -5.264 0.601) 5.666 1.877 ( -2.008 5.264 0.601) 5.666 1.877 ( 2.070 5.270 0.601) 5.694 2.333 ( -8.007 -2.467 2.142) 8.648 2.333 ( -8.003 2.463 2.142) 8.643 2.333 ( 8.003 -2.463 2.142) 8.643 2.333 ( 8.007 2.467 2.142) 8.648 3.191 ( -19.374 -8.263 -1.940) 21.152 3.191 ( -12.425 3.610 -1.940) 13.084 3.191 ( 12.425 -3.610 -1.940) 13.084 3.191 ( 19.374 8.263 -1.940) 21.152 3.640 ( -18.749 -11.704 5.694) 22.824 3.640 ( 18.592 -11.641 5.694) 22.662 3.640 ( -18.592 11.641 5.694) 22.662 3.640 ( 18.749 11.704 5.694) 22.824 4.512 ( -15.326 -20.675 -3.706) 26.001 4.512 ( 13.767 -20.399 -3.706) 24.888 4.512 ( -13.767 20.399 -3.706) 24.888 4.512 ( 15.326 20.675 -3.706) 26.001 5.423 ( -7.925 -6.931 -6.832) 12.550 5.423 ( -1.366 -5.727 -6.832) 9.019 5.423 ( 1.366 5.727 -6.832) 9.019 5.423 ( 7.925 6.931 -6.832) 12.550 5.731 ( -16.238 -6.608 4.892) 18.200 5.731 ( -16.043 6.488 4.892) 17.983 5.731 ( 16.043 -6.488 4.892) 17.983 5.731 ( 16.238 6.608 4.892) 18.200 6.110 ( -5.185 -10.307 3.302) 12.001 6.110 ( 4.197 -10.194 3.302) 11.508 6.110 ( -4.197 10.194 3.302) 11.508 6.110 ( 5.185 10.307 3.302) 12.001 6.904 ( -20.078 -5.740 8.491) 22.542 6.904 ( -19.761 5.458 8.491) 22.189 6.904 ( 19.761 -5.458 8.491) 22.189 6.904 ( 20.078 5.740 8.491) 22.542 7.409 ( -9.898 -8.542 3.924) 13.650 7.409 ( 9.889 -8.540 3.924) 13.642 7.409 ( -9.889 8.540 3.924) 13.642 7.409 ( 9.898 8.542 3.924) 13.650 7.807 ( -18.984 -8.658 -0.659) 20.876 7.807 ( -8.728 1.979 -0.659) 8.974 7.807 ( 8.728 -1.979 -0.659) 8.974 7.807 ( 18.984 8.658 -0.659) 20.876 8.837 ( -6.784 -15.088 -4.558) 17.160 8.837 ( 6.782 -15.088 -4.558) 17.159 8.837 ( -6.782 15.088 -4.558) 17.159 8.837 ( 6.784 15.088 -4.558) 17.160 9.448 ( -3.221 -11.684 -8.787) 14.970 9.448 ( 2.172 -11.623 -8.787) 14.732 9.448 ( -2.172 11.623 -8.787) 14.732 9.448 ( 3.221 11.684 -8.787) 14.970 9.967 ( -7.452 -13.016 -6.785) 16.462 9.967 ( -1.294 -12.488 -6.785) 14.271 9.967 ( 1.294 12.488 -6.785) 14.271 9.967 ( 7.452 13.016 -6.785) 16.462 10.511 ( -12.280 -5.947 -8.136) 15.886 10.511 ( -7.765 -3.570 -8.136) 11.800 10.511 ( 7.765 3.570 -8.136) 11.800 10.511 ( 12.280 5.947 -8.136) 15.886 11.193 ( -8.740 -3.637 2.162) 9.710 11.193 ( -4.849 -0.084 2.162) 5.309 11.193 ( 4.849 0.084 2.162) 5.309 11.193 ( 8.740 3.637 2.162) 9.710 11.516 ( -5.005 -14.234 -1.493) 15.161 11.516 ( 3.678 -14.132 -1.493) 14.679 11.516 ( -3.678 14.132 -1.493) 14.679 11.516 ( 5.005 14.234 -1.493) 15.161 12.077 ( -5.102 -7.454 4.551) 10.115 12.077 ( 0.677 -7.012 4.551) 8.387 12.077 ( -0.677 7.012 4.551) 8.387 12.077 ( 5.102 7.454 4.551) 10.115 12.841 ( -9.448 -12.126 3.384) 15.740 12.841 ( 7.624 -11.800 3.384) 14.451 12.841 ( -7.624 11.800 3.384) 14.451 12.841 ( 9.448 12.126 3.384) 15.740 14.079 ( -16.285 -24.846 0.573) 29.713 14.079 ( 13.983 -24.492 0.573) 28.208 14.079 ( -13.983 24.492 0.573) 28.208 14.079 ( 16.285 24.846 0.573) 29.713 15.118 ( -19.520 -13.855 8.718) 25.475 15.118 ( 18.788 -13.600 8.718) 24.778 15.118 ( -18.788 13.600 8.718) 24.778 15.118 ( 19.520 13.855 8.718) 25.475 16.030 ( -28.411 -11.847 -0.837) 30.794 16.030 ( -28.407 11.845 -0.837) 30.789 16.030 ( 28.407 -11.845 -0.837) 30.789 16.030 ( 28.411 11.847 -0.837) 30.794 16.908 ( -7.376 -14.556 -0.617) 16.330 16.908 ( 6.928 -14.501 -0.617) 16.083 16.908 ( -6.928 14.501 -0.617) 16.083 16.908 ( 7.376 14.556 -0.617) 16.330 17.383 ( -1.546 -1.876 0.502) 2.483 17.383 ( 0.199 -1.712 0.502) 1.796 17.383 ( -0.199 1.712 0.502) 1.796 17.383 ( 1.546 1.876 0.502) 2.483 17.583 ( -6.551 -3.228 0.806) 7.347 17.583 ( -3.141 -1.470 0.806) 3.560 17.583 ( 3.141 1.470 0.806) 3.560 17.583 ( 6.551 3.228 0.806) 7.347 18.174 ( -17.154 -15.310 -5.922) 23.743 18.174 ( 17.061 -15.284 -5.922) 23.659 18.174 ( -17.061 15.284 -5.922) 23.659 18.174 ( 17.154 15.310 -5.922) 23.743 19.581 ( -1.468 -12.842 2.891) 13.245 19.581 ( 0.908 -12.829 2.891) 13.182 19.581 ( -0.908 12.829 2.891) 13.182 19.581 ( 1.468 12.842 2.891) 13.245 20.398 ( -0.700 -1.534 -1.053) 1.988 20.398 ( 0.275 -1.500 -1.053) 1.853 20.398 ( -0.275 1.500 -1.053) 1.853 20.398 ( 0.700 1.534 -1.053) 1.988 20.821 ( -7.878 -2.845 -1.139) 8.453 20.821 ( -5.457 -0.155 -1.139) 5.577 20.821 ( 5.457 0.155 -1.139) 5.577 20.821 ( 7.878 2.845 -1.139) 8.453 21.212 ( -3.442 -3.859 -6.825) 8.563 21.212 ( 1.304 -3.515 -6.825) 7.787 21.212 ( -1.304 3.515 -6.825) 7.787 21.212 ( 3.442 3.859 -6.825) 8.563 21.438 ( -5.610 -7.406 -1.060) 9.351 21.438 ( 1.807 -6.914 -1.060) 7.224 21.438 ( -1.807 6.914 -1.060) 7.224 21.438 ( 5.610 7.406 -1.060) 9.351 21.904 ( -5.763 -6.019 10.028) 13.039 21.904 ( 5.091 -5.866 10.028) 12.685 21.904 ( -5.091 5.866 10.028) 12.685 21.904 ( 5.763 6.019 10.028) 13.039 22.746 ( -5.010 -1.865 -8.675) 10.190 22.746 ( -3.491 -0.501 -8.675) 9.365 22.746 ( 3.491 0.501 -8.675) 9.365 22.746 ( 5.010 1.865 -8.675) 10.190 22.971 ( -6.152 -9.362 2.554) 11.490 22.971 ( 4.739 -9.154 2.554) 10.620 22.971 ( -4.739 9.154 2.554) 10.620 22.971 ( 6.152 9.362 2.554) 11.490 23.350 ( -4.041 -0.966 3.331) 5.325 23.350 ( -3.968 0.887 3.331) 5.256 23.350 ( 3.968 -0.887 3.331) 5.256 23.350 ( 4.041 0.966 3.331) 5.325 23.619 ( -2.069 -7.474 4.967) 9.209 23.619 ( 0.764 -7.412 4.967) 8.955 23.619 ( -0.764 7.412 4.967) 8.955 23.619 ( 2.069 7.474 4.967) 9.209 23.945 ( -3.129 -8.048 3.525) 9.326 23.945 ( 3.056 -8.041 3.525) 9.296 23.945 ( -3.056 8.041 3.525) 9.296 23.945 ( 3.129 8.048 3.525) 9.326 24.402 ( -11.423 -10.368 -1.280) 15.479 24.402 ( 11.269 -10.325 -1.280) 15.338 24.402 ( -11.269 10.325 -1.280) 15.338 24.402 ( 11.423 10.368 -1.280) 15.479 24.837 ( -3.494 -7.648 0.197) 8.411 24.837 ( 3.147 -7.611 0.197) 8.238 24.837 ( -3.147 7.611 0.197) 8.238 24.837 ( 3.494 7.648 0.197) 8.411 26.625 ( -2.899 -14.797 -9.186) 17.656 26.625 ( 2.428 -14.775 -9.186) 17.567 26.625 ( -2.428 14.775 -9.186) 17.567 26.625 ( 2.899 14.797 -9.186) 17.656 27.272 ( -4.172 -1.464 2.880) 5.277 27.272 ( -4.140 1.441 2.880) 5.245 27.272 ( 4.140 -1.441 2.880) 5.245 27.272 ( 4.172 1.464 2.880) 5.277 30.441 ( -12.233 -7.145 -0.408) 14.173 30.441 ( 1.261 -3.747 -0.408) 3.975 30.441 ( -1.261 3.747 -0.408) 3.975 30.441 ( 12.233 7.145 -0.408) 14.173 31.216 ( -4.614 -3.529 3.820) 6.952 31.216 ( 0.028 -2.671 3.820) 4.661 31.216 ( -0.028 2.671 3.820) 4.661 31.216 ( 4.614 3.529 3.820) 6.952 31.498 ( -0.151 -7.890 1.778) 8.089 31.498 ( 0.051 -7.889 1.778) 8.087 31.498 ( -0.051 7.889 1.778) 8.087 31.498 ( 0.151 7.890 1.778) 8.089 36.319 ( -6.177 -3.609 -2.902) 7.720 36.319 ( 3.110 -2.430 -2.902) 4.899 36.319 ( -3.110 2.430 -2.902) 4.899 36.319 ( 6.177 3.609 -2.902) 7.720 37.786 ( -20.806 -17.884 -2.410) 27.541 37.786 ( 19.809 -17.599 -2.410) 26.607 37.786 ( -19.809 17.599 -2.410) 26.607 37.786 ( 20.806 17.884 -2.410) 27.541 39.904 ( -10.319 -1.201 2.536) 10.693 39.904 ( -10.236 1.009 2.536) 10.594 39.904 ( 10.236 -1.009 2.536) 10.594 39.904 ( 10.319 1.201 2.536) 10.693 40.826 ( -5.106 -6.992 -16.769) 18.873 40.826 ( -2.335 -6.613 -16.769) 18.177 40.826 ( 2.335 6.613 -16.769) 18.177 40.826 ( 5.106 6.992 -16.769) 18.873 41.700 ( -11.195 -7.660 15.832) 20.849 41.700 ( -7.549 -6.449 15.832) 18.688 41.700 ( 7.549 6.449 15.832) 18.688 41.700 ( 11.195 7.660 15.832) 20.849 43.252 ( -7.355 -15.295 -5.974) 17.992 43.252 ( 7.352 -15.294 -5.974) 17.990 43.252 ( -7.352 15.294 -5.974) 17.990 43.252 ( 7.355 15.295 -5.974) 17.992 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 0.000 22.769) 22.769 1.324 ( 0.000 0.000 24.578) 24.578 1.433 ( 0.000 0.000 14.380) 14.380 1.742 ( 0.000 0.000 14.292) 14.292 1.822 ( 0.000 0.000 0.953) 0.953 1.848 ( 0.000 0.000 -0.129) 0.129 1.903 ( 0.000 0.000 4.075) 4.075 1.936 ( 0.000 0.000 -0.628) 0.628 2.013 ( 0.000 0.000 17.982) 17.982 2.252 ( 0.000 0.000 2.420) 2.420 2.289 ( 0.000 0.000 2.772) 2.772 2.478 ( 0.000 0.000 14.082) 14.082 2.624 ( 0.000 0.000 2.053) 2.053 2.791 ( 0.000 0.000 17.330) 17.330 2.810 ( 0.000 0.000 12.575) 12.575 3.032 ( 0.000 0.000 1.834) 1.834 3.247 ( 0.000 0.000 16.875) 16.875 3.525 ( 0.000 0.000 21.729) 21.729 4.145 ( 0.000 0.000 1.918) 1.918 4.231 ( 0.000 0.000 4.329) 4.329 4.422 ( 0.000 0.000 15.486) 15.486 4.599 ( 0.000 0.000 2.043) 2.043 4.744 ( 0.000 0.000 -11.074) 11.074 4.801 ( 0.000 0.000 -3.542) 3.542 4.912 ( 0.000 0.000 -9.904) 9.904 5.038 ( 0.000 0.000 1.071) 1.071 5.069 ( 0.000 0.000 -4.104) 4.104 5.232 ( 0.000 0.000 -20.752) 20.752 5.495 ( 0.000 0.000 17.602) 17.602 5.664 ( 0.000 0.000 3.226) 3.226 5.845 ( 0.000 0.000 -8.954) 8.954 5.972 ( 0.000 0.000 -3.656) 3.656 6.275 ( 0.000 0.000 -11.771) 11.771 6.340 ( 0.000 0.000 -6.448) 6.448 6.601 ( 0.000 0.000 -0.025) 0.025 6.774 ( 0.000 0.000 3.904) 3.904 6.855 ( 0.000 0.000 -5.126) 5.126 6.971 ( 0.000 0.000 -8.641) 8.641 6.987 ( 0.000 0.000 -11.311) 11.311 7.120 ( 0.000 0.000 -14.039) 14.039 7.123 ( 0.000 0.000 -6.722) 6.722 7.168 ( 0.000 0.000 2.911) 2.911 7.391 ( 0.000 0.000 6.616) 6.616 7.680 ( 0.000 0.000 20.269) 20.269 7.694 ( 0.000 0.000 -18.285) 18.285 7.695 ( 0.000 0.000 -13.528) 13.528 7.855 ( 0.000 0.000 21.606) 21.606 7.954 ( 0.000 0.000 10.151) 10.151 8.217 ( 0.000 0.000 18.774) 18.774 8.565 ( 0.000 0.000 -0.230) 0.230 8.857 ( 0.000 0.000 -15.033) 15.033 8.990 ( 0.000 0.000 -9.925) 9.925 9.198 ( 0.000 0.000 -0.369) 0.369 9.227 ( 0.000 0.000 -6.059) 6.059 9.631 ( 0.000 0.000 6.112) 6.112 9.656 ( 0.000 0.000 -8.644) 8.644 9.678 ( 0.000 0.000 -27.755) 27.755 9.743 ( 0.000 0.000 -4.874) 4.874 9.791 ( 0.000 0.000 -9.217) 9.217 9.925 ( 0.000 0.000 -17.548) 17.548 10.030 ( 0.000 0.000 13.470) 13.470 10.314 ( 0.000 0.000 -22.037) 22.037 10.371 ( 0.000 0.000 -9.515) 9.515 10.462 ( 0.000 0.000 1.521) 1.521 10.827 ( 0.000 0.000 -19.666) 19.666 11.075 ( 0.000 0.000 -15.608) 15.608 11.415 ( 0.000 0.000 -9.900) 9.900 11.425 ( 0.000 0.000 2.132) 2.132 11.506 ( 0.000 0.000 7.354) 7.354 11.530 ( 0.000 0.000 -8.945) 8.945 11.784 ( 0.000 0.000 2.462) 2.462 11.878 ( 0.000 0.000 -2.752) 2.752 11.890 ( 0.000 0.000 11.309) 11.309 11.982 ( 0.000 0.000 30.337) 30.337 12.641 ( 0.000 0.000 11.652) 11.652 12.685 ( 0.000 0.000 9.118) 9.118 12.697 ( 0.000 0.000 16.092) 16.092 12.749 ( 0.000 0.000 2.078) 2.078 13.110 ( 0.000 0.000 0.286) 0.286 13.286 ( 0.000 0.000 17.131) 17.131 13.390 ( 0.000 0.000 -14.461) 14.461 13.638 ( 0.000 0.000 7.127) 7.127 14.250 ( 0.000 0.000 11.687) 11.687 14.789 ( 0.000 0.000 5.867) 5.867 14.861 ( 0.000 0.000 -0.811) 0.811 14.891 ( 0.000 0.000 -3.921) 3.921 15.061 ( 0.000 0.000 -12.719) 12.719 15.267 ( 0.000 0.000 -0.444) 0.444 15.536 ( 0.000 0.000 15.799) 15.799 15.610 ( 0.000 0.000 9.931) 9.931 16.447 ( 0.000 0.000 11.055) 11.055 16.520 ( 0.000 0.000 7.615) 7.615 16.603 ( 0.000 0.000 -8.467) 8.467 16.792 ( 0.000 0.000 1.225) 1.225 16.851 ( 0.000 0.000 4.183) 4.183 17.130 ( 0.000 0.000 -0.207) 0.207 17.198 ( 0.000 0.000 -3.080) 3.080 17.221 ( 0.000 0.000 -18.502) 18.502 17.365 ( 0.000 0.000 -1.510) 1.510 17.608 ( 0.000 0.000 -9.452) 9.452 17.636 ( 0.000 0.000 7.856) 7.856 17.970 ( 0.000 0.000 2.268) 2.268 18.002 ( 0.000 0.000 -1.891) 1.891 18.291 ( 0.000 0.000 7.175) 7.175 18.383 ( 0.000 0.000 7.201) 7.201 18.517 ( 0.000 0.000 -1.836) 1.836 18.586 ( 0.000 0.000 -5.975) 5.975 18.592 ( 0.000 0.000 0.070) 0.070 18.799 ( 0.000 0.000 -0.907) 0.907 19.033 ( 0.000 0.000 -5.844) 5.844 19.665 ( 0.000 0.000 16.657) 16.657 20.109 ( 0.000 0.000 1.997) 1.997 20.213 ( 0.000 0.000 0.430) 0.430 20.288 ( 0.000 0.000 1.939) 1.939 20.409 ( 0.000 0.000 -1.628) 1.628 20.431 ( 0.000 0.000 -4.390) 4.390 20.560 ( 0.000 0.000 -7.281) 7.281 20.653 ( 0.000 0.000 -5.046) 5.046 20.767 ( 0.000 0.000 -2.403) 2.403 20.781 ( 0.000 0.000 -6.115) 6.115 20.829 ( 0.000 0.000 4.110) 4.110 20.945 ( 0.000 0.000 1.606) 1.606 21.042 ( 0.000 0.000 -7.712) 7.712 21.056 ( 0.000 0.000 -10.656) 10.656 21.162 ( 0.000 0.000 -4.740) 4.740 21.350 ( 0.000 0.000 -10.934) 10.934 21.455 ( 0.000 0.000 4.337) 4.337 21.640 ( 0.000 0.000 8.156) 8.156 21.664 ( 0.000 0.000 -2.076) 2.076 21.805 ( 0.000 0.000 -4.995) 4.995 21.831 ( 0.000 0.000 -6.988) 6.988 22.224 ( 0.000 0.000 6.678) 6.678 22.323 ( 0.000 0.000 -0.676) 0.676 22.502 ( 0.000 0.000 3.237) 3.237 22.689 ( 0.000 0.000 4.334) 4.334 22.869 ( 0.000 0.000 -10.593) 10.593 22.920 ( 0.000 0.000 4.862) 4.862 22.975 ( 0.000 0.000 2.785) 2.785 23.013 ( 0.000 0.000 4.378) 4.378 23.048 ( 0.000 0.000 9.884) 9.884 23.165 ( 0.000 0.000 1.583) 1.583 23.207 ( 0.000 0.000 -9.160) 9.160 23.348 ( 0.000 0.000 3.568) 3.568 23.415 ( 0.000 0.000 0.798) 0.798 23.541 ( 0.000 0.000 3.299) 3.299 23.610 ( 0.000 0.000 5.662) 5.662 23.643 ( 0.000 0.000 -0.071) 0.071 23.764 ( 0.000 0.000 6.097) 6.097 23.796 ( 0.000 0.000 1.116) 1.116 24.112 ( 0.000 0.000 -0.126) 0.126 24.245 ( 0.000 0.000 -4.022) 4.022 24.256 ( 0.000 0.000 -15.612) 15.612 24.360 ( 0.000 0.000 8.810) 8.810 24.587 ( 0.000 0.000 1.906) 1.906 24.634 ( 0.000 0.000 9.537) 9.537 24.797 ( 0.000 0.000 1.099) 1.099 25.209 ( 0.000 0.000 -1.783) 1.783 25.216 ( 0.000 0.000 -2.506) 2.506 25.321 ( 0.000 0.000 1.402) 1.402 25.653 ( 0.000 0.000 5.760) 5.760 26.066 ( 0.000 0.000 2.146) 2.146 26.130 ( 0.000 0.000 1.117) 1.117 26.168 ( 0.000 0.000 -4.132) 4.132 26.650 ( 0.000 0.000 -19.375) 19.375 27.151 ( 0.000 0.000 4.096) 4.096 27.224 ( 0.000 0.000 6.308) 6.308 27.266 ( 0.000 0.000 -6.328) 6.328 27.333 ( 0.000 0.000 0.210) 0.210 29.977 ( 0.000 0.000 9.529) 9.529 30.373 ( 0.000 0.000 -2.370) 2.370 30.727 ( 0.000 0.000 2.892) 2.892 30.795 ( 0.000 0.000 3.939) 3.939 31.065 ( 0.000 0.000 3.753) 3.753 31.099 ( 0.000 0.000 3.320) 3.320 31.207 ( 0.000 0.000 -0.546) 0.546 31.315 ( 0.000 0.000 -1.677) 1.677 31.337 ( 0.000 0.000 1.862) 1.862 31.351 ( 0.000 0.000 -1.624) 1.624 31.613 ( 0.000 0.000 3.671) 3.671 31.704 ( 0.000 0.000 0.950) 0.950 35.914 ( 0.000 0.000 -2.093) 2.093 36.035 ( 0.000 0.000 -8.653) 8.653 36.133 ( 0.000 0.000 -6.572) 6.572 36.304 ( 0.000 0.000 -8.202) 8.202 37.017 ( 0.000 0.000 13.415) 13.415 37.396 ( 0.000 0.000 12.189) 12.189 38.008 ( 0.000 0.000 -8.447) 8.447 38.633 ( 0.000 0.000 -14.784) 14.784 39.481 ( 0.000 0.000 3.610) 3.610 39.611 ( 0.000 0.000 3.537) 3.537 39.714 ( 0.000 0.000 -1.308) 1.308 40.043 ( 0.000 0.000 -11.263) 11.263 40.293 ( 0.000 0.000 5.206) 5.206 40.640 ( 0.000 0.000 2.941) 2.941 40.651 ( 0.000 0.000 2.144) 2.144 41.062 ( 0.000 0.000 4.329) 4.329 41.096 ( 0.000 0.000 -13.244) 13.244 41.952 ( 0.000 0.000 -16.925) 16.925 42.070 ( 0.000 0.000 11.897) 11.897 42.830 ( 0.000 0.000 7.069) 7.069 42.908 ( 0.000 0.000 12.435) 12.435 43.101 ( 0.000 0.000 7.415) 7.415 43.176 ( 0.000 0.000 -13.741) 13.741 43.660 ( 0.000 0.000 -15.647) 15.647 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 9.038 0.000 23.519) 25.196 1.492 ( 13.798 0.000 15.245) 20.562 1.515 ( 6.483 0.000 7.571) 9.968 1.729 ( 2.271 0.000 8.225) 8.533 1.821 ( -0.355 0.000 0.828) 0.901 1.859 ( 1.339 0.000 0.071) 1.341 1.886 ( -1.762 0.000 4.046) 4.413 1.948 ( 1.499 0.000 -0.663) 1.639 2.095 ( 1.948 0.000 5.967) 6.277 2.271 ( 3.413 0.000 6.086) 6.978 2.303 ( 3.294 0.000 2.781) 4.311 2.476 ( 4.830 0.000 11.755) 12.709 2.601 ( -2.357 0.000 1.160) 2.628 2.866 ( 2.190 0.000 5.283) 5.719 2.962 ( 2.563 0.000 10.462) 10.771 3.135 ( 9.631 0.000 12.646) 15.896 3.218 ( 9.872 0.000 18.063) 20.585 3.938 ( 37.784 0.000 22.393) 43.921 4.100 ( -14.321 0.000 3.505) 14.744 4.115 ( -3.304 0.000 2.671) 4.249 4.485 ( -11.500 0.000 2.916) 11.864 4.558 ( 3.332 0.000 8.993) 9.591 4.776 ( 2.926 0.000 1.372) 3.232 4.783 ( 5.655 0.000 -8.544) 10.246 4.995 ( 5.312 0.000 -10.908) 12.132 5.033 ( -0.943 0.000 -14.307) 14.338 5.107 ( 9.802 0.000 4.571) 10.816 5.382 ( -12.483 0.000 13.787) 18.599 5.383 ( 10.662 0.000 -10.720) 15.119 5.609 ( 2.425 0.000 1.223) 2.716 5.833 ( -9.939 0.000 -2.439) 10.234 5.899 ( -16.205 0.000 -14.293) 21.607 6.173 ( 18.597 0.000 -13.009) 22.695 6.366 ( -20.418 0.000 -10.252) 22.847 6.468 ( -19.194 0.000 -3.817) 19.570 6.541 ( -13.686 0.000 7.190) 15.460 6.639 ( 9.423 0.000 3.360) 10.004 6.689 ( -14.433 0.000 2.897) 14.721 6.941 ( -16.829 0.000 6.815) 18.156 7.031 ( 10.983 0.000 -8.074) 13.632 7.397 ( 12.879 0.000 -3.905) 13.458 7.432 ( 7.836 0.000 -1.674) 8.013 7.615 ( -4.829 0.000 5.045) 6.983 7.728 ( 14.251 0.000 -3.662) 14.714 7.779 ( 9.144 0.000 -9.384) 13.103 7.885 ( 14.622 0.000 6.769) 16.113 7.888 ( -3.429 0.000 8.239) 8.924 7.979 ( 17.424 0.000 3.424) 17.757 8.272 ( 0.788 0.000 10.175) 10.205 8.558 ( -0.688 0.000 0.220) 0.722 8.814 ( -2.881 0.000 1.889) 3.445 8.915 ( -7.946 0.000 -8.376) 11.545 9.065 ( -12.545 0.000 -0.734) 12.567 9.277 ( -0.065 0.000 -8.600) 8.601 9.426 ( -12.586 0.000 -12.483) 17.726 9.536 ( 2.236 0.000 -14.622) 14.792 9.550 ( -12.665 0.000 -7.522) 14.730 9.692 ( -3.908 0.000 -8.576) 9.424 9.956 ( 6.880 0.000 -1.926) 7.144 9.974 ( 3.639 0.000 -14.841) 15.281 10.121 ( 8.536 0.000 -2.401) 8.867 10.356 ( 3.840 0.000 -17.166) 17.591 10.449 ( 1.742 0.000 -3.633) 4.029 10.528 ( 9.073 0.000 -11.610) 14.735 10.841 ( 0.474 0.000 -23.356) 23.360 11.085 ( 1.421 0.000 -12.767) 12.846 11.350 ( -7.023 0.000 -7.484) 10.263 11.372 ( -2.642 0.000 3.467) 4.359 11.490 ( -3.235 0.000 3.600) 4.840 11.527 ( -2.945 0.000 -8.810) 9.289 11.845 ( -1.411 0.000 -2.681) 3.030 11.846 ( 13.588 0.000 14.608) 19.951 11.958 ( -2.745 0.000 27.640) 27.776 12.031 ( 6.911 0.000 9.473) 11.726 12.432 ( -15.162 0.000 4.315) 15.764 12.650 ( -10.723 0.000 10.262) 14.842 12.659 ( -3.478 0.000 9.558) 10.171 12.686 ( 0.638 0.000 10.671) 10.690 13.163 ( -12.110 0.000 12.303) 17.263 13.323 ( 2.326 0.000 -5.884) 6.327 13.369 ( -3.678 0.000 -7.232) 8.113 13.484 ( 2.994 0.000 2.868) 4.146 14.424 ( 13.529 0.000 18.742) 23.115 14.673 ( -7.580 0.000 3.077) 8.181 14.775 ( 5.185 0.000 2.194) 5.630 15.119 ( 4.496 0.000 -0.412) 4.515 15.181 ( 19.026 0.000 0.011) 19.026 15.220 ( -4.911 0.000 0.743) 4.967 15.703 ( 11.907 0.000 5.805) 13.246 15.737 ( 10.912 0.000 2.061) 11.105 16.269 ( -15.932 0.000 4.845) 16.652 16.366 ( -7.734 0.000 8.225) 11.290 16.772 ( -2.504 0.000 1.936) 3.165 16.773 ( 8.851 0.000 -2.028) 9.080 16.939 ( 8.329 0.000 3.422) 9.004 17.073 ( -5.065 0.000 -11.880) 12.915 17.215 ( 4.189 0.000 -5.839) 7.186 17.295 ( 1.525 0.000 -6.574) 6.749 17.334 ( -1.593 0.000 -0.337) 1.629 17.498 ( -9.032 0.000 -7.212) 11.558 17.587 ( -4.082 0.000 7.220) 8.294 17.860 ( -8.933 0.000 1.055) 8.995 17.869 ( -11.153 0.000 -0.872) 11.187 18.167 ( -16.354 0.000 6.647) 17.653 18.210 ( -13.782 0.000 6.060) 15.056 18.544 ( -1.983 0.000 -3.469) 3.996 18.619 ( 3.701 0.000 -8.637) 9.397 18.659 ( 6.519 0.000 -1.168) 6.622 18.763 ( -15.923 0.000 -3.232) 16.248 18.913 ( 6.781 0.000 0.558) 6.804 19.802 ( 10.345 0.000 14.096) 17.485 20.075 ( -7.409 0.000 2.304) 7.758 20.174 ( 4.423 0.000 -2.868) 5.271 20.344 ( 3.038 0.000 0.340) 3.057 20.437 ( -0.333 0.000 -1.152) 1.199 20.503 ( 4.072 0.000 -2.372) 4.713 20.580 ( 4.111 0.000 -5.867) 7.164 20.677 ( -0.147 0.000 -2.760) 2.764 20.725 ( -1.740 0.000 0.578) 1.834 20.829 ( 6.241 0.000 -3.496) 7.153 20.912 ( 5.125 0.000 -2.303) 5.618 20.968 ( 2.098 0.000 1.437) 2.542 21.040 ( -1.559 0.000 -8.146) 8.294 21.061 ( 1.794 0.000 -5.915) 6.182 21.234 ( 5.852 0.000 -3.741) 6.945 21.308 ( -1.983 0.000 -8.568) 8.794 21.551 ( 0.188 0.000 8.538) 8.540 21.679 ( 13.560 0.000 -1.010) 13.597 21.728 ( -4.904 0.000 -6.568) 8.197 21.816 ( -1.999 0.000 -7.385) 7.651 21.914 ( 18.131 0.000 -5.085) 18.831 22.276 ( 3.487 0.000 9.323) 9.953 22.353 ( 3.131 0.000 -0.068) 3.132 22.420 ( -6.215 0.000 3.956) 7.367 22.643 ( -4.166 0.000 5.837) 7.171 22.868 ( -4.888 0.000 9.769) 10.923 22.886 ( -0.875 0.000 -9.530) 9.570 22.971 ( 2.473 0.000 -0.141) 2.477 22.992 ( 2.672 0.000 -4.488) 5.223 23.189 ( 0.997 0.000 3.494) 3.634 23.204 ( 8.991 0.000 11.885) 14.903 23.213 ( 1.865 0.000 -6.836) 7.086 23.386 ( 3.623 0.000 3.720) 5.192 23.433 ( 1.466 0.000 0.761) 1.652 23.539 ( 0.295 0.000 0.719) 0.777 23.563 ( -4.351 0.000 3.567) 5.626 23.630 ( 0.719 0.000 5.474) 5.521 23.800 ( 0.369 0.000 1.436) 1.483 23.876 ( 7.133 0.000 0.897) 7.189 24.129 ( 1.472 0.000 3.517) 3.813 24.150 ( -8.419 0.000 -1.983) 8.649 24.281 ( 2.886 0.000 -11.622) 11.975 24.320 ( -4.807 0.000 8.021) 9.351 24.571 ( -0.737 0.000 1.274) 1.472 24.621 ( -1.165 0.000 5.881) 5.995 24.705 ( -9.882 0.000 -0.246) 9.885 25.002 ( -16.600 0.000 6.129) 17.696 25.144 ( -8.555 0.000 -4.366) 9.604 25.172 ( -11.434 0.000 3.203) 11.874 25.470 ( -31.072 0.000 9.376) 32.456 25.779 ( 9.098 0.000 0.003) 9.098 26.186 ( 1.100 0.000 -4.891) 5.013 26.402 ( 10.379 0.000 -3.386) 10.918 26.710 ( 4.301 0.000 -15.383) 15.973 27.195 ( 3.401 0.000 2.775) 4.390 27.236 ( 1.186 0.000 5.569) 5.693 27.320 ( 2.486 0.000 -7.859) 8.243 27.331 ( -0.220 0.000 0.544) 0.587 30.019 ( 4.355 0.000 7.900) 9.021 30.423 ( 4.194 0.000 -3.143) 5.241 30.724 ( 0.768 0.000 3.929) 4.003 30.851 ( 4.072 0.000 2.384) 4.719 30.967 ( -8.235 0.000 3.026) 8.773 31.055 ( -0.684 0.000 4.246) 4.301 31.199 ( -5.423 0.000 -2.808) 6.107 31.298 ( -1.740 0.000 -1.146) 2.083 31.343 ( 6.309 0.000 3.040) 7.003 31.519 ( 9.553 0.000 0.542) 9.569 31.624 ( -0.123 0.000 3.719) 3.721 31.720 ( 1.910 0.000 1.267) 2.292 35.919 ( 2.408 0.000 -1.801) 3.007 36.141 ( 7.676 0.000 -8.604) 11.530 36.159 ( 2.704 0.000 -5.749) 6.353 36.386 ( 4.856 0.000 -8.712) 9.974 37.038 ( 2.825 0.000 12.349) 12.668 37.518 ( 11.793 0.000 4.004) 12.455 37.939 ( -7.073 0.000 -7.520) 10.324 38.589 ( -5.291 0.000 -15.447) 16.328 39.564 ( 8.142 0.000 3.516) 8.869 39.740 ( 2.660 0.000 -1.157) 2.901 39.775 ( 15.114 0.000 -1.791) 15.220 40.062 ( 1.643 0.000 -9.507) 9.648 40.265 ( -2.626 0.000 5.939) 6.494 40.397 ( -11.473 0.000 1.029) 11.519 40.757 ( -3.022 0.000 -5.143) 5.965 41.048 ( -5.278 0.000 -11.816) 12.941 41.163 ( 11.985 0.000 9.077) 15.034 42.002 ( 3.843 0.000 -13.195) 13.743 42.043 ( -1.694 0.000 11.864) 11.984 42.686 ( -12.326 0.000 9.361) 15.478 42.815 ( -7.466 0.000 12.382) 14.459 43.082 ( -2.811 0.000 6.130) 6.744 43.190 ( 1.331 0.000 -12.623) 12.693 43.625 ( -4.172 0.000 -15.871) 16.410 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 12.014 0.000 5.993) 13.426 1.649 ( 6.690 0.000 3.910) 7.749 1.706 ( 6.652 0.000 5.807) 8.830 1.798 ( 2.227 0.000 5.329) 5.776 1.808 ( -0.911 0.000 1.534) 1.784 1.838 ( -3.004 0.000 3.360) 4.507 1.899 ( 2.635 0.000 -0.606) 2.703 1.978 ( 0.461 0.000 -1.860) 1.916 2.168 ( 8.570 0.000 2.658) 8.972 2.361 ( 4.858 0.000 3.109) 5.767 2.388 ( 3.428 0.000 3.775) 5.099 2.539 ( -3.644 0.000 0.564) 3.687 2.795 ( 27.064 0.000 6.822) 27.911 2.934 ( 8.657 0.000 2.274) 8.951 2.954 ( 5.097 0.000 7.739) 9.267 3.336 ( 8.704 0.000 12.539) 15.264 3.546 ( 3.400 0.000 10.274) 10.822 3.764 ( -9.312 0.000 3.365) 9.901 4.007 ( -7.586 0.000 5.249) 9.225 4.096 ( -20.633 0.000 -0.326) 20.635 4.340 ( -17.251 0.000 2.765) 17.471 4.642 ( 20.015 0.000 1.147) 20.047 4.797 ( -12.301 0.000 11.227) 16.654 4.960 ( 2.942 0.000 -11.754) 12.116 5.078 ( 1.134 0.000 -0.758) 1.364 5.089 ( 13.487 0.000 -3.060) 13.830 5.153 ( 0.249 0.000 -12.461) 12.464 5.420 ( 16.812 0.000 10.612) 19.881 5.589 ( 6.621 0.000 -8.869) 11.068 5.617 ( -8.092 0.000 -3.901) 8.983 5.756 ( 0.974 0.000 -3.768) 3.892 5.868 ( 24.968 0.000 9.970) 26.885 5.970 ( -13.404 0.000 1.357) 13.472 6.149 ( -13.057 0.000 -3.323) 13.473 6.224 ( -12.172 0.000 7.181) 14.133 6.351 ( -15.674 0.000 2.392) 15.855 6.595 ( -4.048 0.000 1.506) 4.319 6.752 ( 18.331 0.000 -6.872) 19.577 6.864 ( 14.626 0.000 10.131) 17.792 7.287 ( 11.377 0.000 -3.161) 11.808 7.494 ( -5.332 0.000 0.650) 5.371 7.542 ( 3.206 0.000 -3.259) 4.572 7.551 ( -4.940 0.000 9.936) 11.096 7.696 ( -6.531 0.000 -9.705) 11.698 7.806 ( -12.372 0.000 4.290) 13.095 7.873 ( -10.414 0.000 16.633) 19.624 8.046 ( 3.902 0.000 14.341) 14.863 8.176 ( 14.191 0.000 -3.117) 14.529 8.495 ( 4.532 0.000 -4.733) 6.553 8.519 ( -4.492 0.000 -5.579) 7.162 8.752 ( -1.304 0.000 -0.078) 1.307 8.770 ( 8.215 0.000 2.751) 8.664 8.880 ( -5.184 0.000 -7.094) 8.786 9.204 ( -9.856 0.000 -6.467) 11.789 9.289 ( -12.845 0.000 -8.449) 15.374 9.322 ( -0.766 0.000 -8.307) 8.342 9.541 ( 4.390 0.000 -14.522) 15.171 9.807 ( 9.948 0.000 -18.391) 20.909 10.082 ( 8.302 0.000 -16.502) 18.472 10.091 ( 9.940 0.000 2.739) 10.311 10.263 ( 4.631 0.000 -20.130) 20.656 10.424 ( 2.058 0.000 -10.526) 10.725 10.440 ( -4.003 0.000 -10.396) 11.140 10.699 ( 7.418 0.000 -12.412) 14.460 10.833 ( -0.914 0.000 -20.068) 20.089 11.051 ( -22.152 0.000 1.827) 22.227 11.157 ( 3.754 0.000 -8.791) 9.559 11.369 ( 1.739 0.000 3.658) 4.051 11.411 ( -6.495 0.000 -6.038) 8.868 11.441 ( -1.398 0.000 3.996) 4.233 11.752 ( -4.760 0.000 5.750) 7.465 12.017 ( 3.152 0.000 13.727) 14.085 12.088 ( 9.167 0.000 7.597) 11.906 12.140 ( -11.024 0.000 2.239) 11.249 12.203 ( 7.838 0.000 11.463) 13.886 12.427 ( -9.563 0.000 10.880) 14.485 12.557 ( -5.669 0.000 8.993) 10.631 12.816 ( 4.736 0.000 6.853) 8.330 12.950 ( -5.780 0.000 8.217) 10.046 12.979 ( -7.463 0.000 -1.141) 7.549 13.218 ( -11.252 0.000 -2.913) 11.623 13.852 ( 3.370 0.000 -0.619) 3.426 14.380 ( 2.081 0.000 4.339) 4.812 14.945 ( 24.891 0.000 15.724) 29.441 15.031 ( 18.422 0.000 5.863) 19.333 15.048 ( -11.989 0.000 1.489) 12.081 15.260 ( 9.312 0.000 10.227) 13.831 15.632 ( 19.097 0.000 2.341) 19.240 15.789 ( 0.691 0.000 -1.881) 2.004 15.854 ( -5.696 0.000 2.133) 6.082 15.997 ( -8.483 0.000 1.167) 8.563 16.270 ( 0.408 0.000 1.442) 1.498 16.678 ( -5.855 0.000 3.931) 7.052 16.872 ( 0.356 0.000 -0.896) 0.964 16.923 ( -10.610 0.000 -5.938) 12.158 17.182 ( -8.776 0.000 -4.004) 9.647 17.202 ( 12.748 0.000 -1.267) 12.810 17.330 ( 4.411 0.000 -2.069) 4.872 17.331 ( 1.665 0.000 -3.121) 3.538 17.387 ( 3.915 0.000 -4.207) 5.746 17.528 ( 0.080 0.000 3.541) 3.542 17.639 ( -13.498 0.000 2.269) 13.688 17.653 ( -9.882 0.000 1.311) 9.969 17.867 ( -14.939 0.000 2.280) 15.112 17.906 ( -11.285 0.000 1.268) 11.356 18.272 ( -25.513 0.000 -4.899) 25.979 18.473 ( -1.843 0.000 -8.400) 8.599 18.641 ( -2.508 0.000 -11.805) 12.068 18.923 ( 13.352 0.000 1.383) 13.423 19.101 ( 7.334 0.000 1.237) 7.438 19.951 ( 3.917 0.000 8.411) 9.278 20.010 ( 0.565 0.000 7.331) 7.352 20.249 ( 3.727 0.000 -3.592) 5.176 20.406 ( 3.196 0.000 -0.086) 3.197 20.406 ( -2.713 0.000 -2.336) 3.580 20.524 ( -1.745 0.000 -1.300) 2.176 20.634 ( 1.043 0.000 -1.527) 1.850 20.666 ( -0.551 0.000 -1.386) 1.492 20.756 ( 4.788 0.000 2.474) 5.389 20.958 ( 5.652 0.000 -3.163) 6.477 20.983 ( -3.816 0.000 -3.268) 5.024 21.007 ( 1.502 0.000 1.068) 1.843 21.028 ( 6.341 0.000 -1.705) 6.567 21.112 ( 3.430 0.000 -2.883) 4.481 21.283 ( -1.756 0.000 -7.515) 7.717 21.293 ( -2.251 0.000 -2.576) 3.421 21.561 ( 3.184 0.000 8.318) 8.907 21.684 ( 2.030 0.000 -7.861) 8.119 21.806 ( 0.781 0.000 -10.313) 10.342 21.846 ( -0.866 0.000 0.952) 1.287 22.247 ( -3.768 0.000 12.769) 13.313 22.287 ( 16.845 0.000 -7.821) 18.572 22.364 ( -2.169 0.000 8.107) 8.392 22.479 ( 10.041 0.000 -2.663) 10.388 22.595 ( 0.864 0.000 1.087) 1.389 22.792 ( -6.422 0.000 -3.710) 7.416 22.794 ( -0.868 0.000 6.195) 6.255 23.041 ( -0.217 0.000 -5.817) 5.821 23.119 ( 9.814 0.000 -4.546) 10.815 23.223 ( 5.093 0.000 2.671) 5.751 23.285 ( 4.530 0.000 -0.506) 4.558 23.330 ( 4.106 0.000 11.182) 11.912 23.404 ( -1.885 0.000 4.716) 5.079 23.486 ( -4.385 0.000 -0.263) 4.393 23.524 ( 6.812 0.000 3.868) 7.833 23.531 ( -3.897 0.000 -1.373) 4.132 23.580 ( -6.344 0.000 2.868) 6.962 23.815 ( 2.267 0.000 5.961) 6.377 23.856 ( -10.239 0.000 6.564) 12.162 24.124 ( -1.478 0.000 10.930) 11.030 24.126 ( 8.786 0.000 -4.466) 9.855 24.217 ( -4.836 0.000 3.076) 5.731 24.368 ( 4.126 0.000 -2.598) 4.875 24.512 ( -2.727 0.000 4.458) 5.226 24.552 ( -6.773 0.000 -1.309) 6.898 24.595 ( -0.281 0.000 -2.201) 2.219 24.711 ( -8.446 0.000 4.121) 9.398 24.917 ( -11.684 0.000 0.094) 11.685 24.935 ( -12.331 0.000 1.777) 12.459 25.038 ( -14.684 0.000 3.713) 15.146 25.950 ( 8.082 0.000 -5.343) 9.688 26.178 ( -2.423 0.000 -6.852) 7.268 26.599 ( 9.829 0.000 -6.930) 12.027 26.784 ( 2.333 0.000 -13.033) 13.240 27.248 ( 1.714 0.000 0.695) 1.850 27.268 ( 1.952 0.000 3.998) 4.449 27.317 ( -2.042 0.000 -3.585) 4.125 27.324 ( -0.605 0.000 1.404) 1.529 30.142 ( 8.041 0.000 4.539) 9.234 30.461 ( -2.818 0.000 -3.329) 4.362 30.767 ( 3.394 0.000 4.116) 5.335 30.867 ( 0.091 0.000 2.864) 2.866 30.896 ( -0.603 0.000 1.626) 1.734 31.071 ( 3.215 0.000 4.296) 5.366 31.083 ( -6.239 0.000 -2.720) 6.806 31.246 ( -3.619 0.000 0.251) 3.627 31.459 ( 5.057 0.000 4.208) 6.579 31.596 ( -2.358 0.000 4.838) 5.382 31.675 ( 6.041 0.000 1.643) 6.260 31.760 ( 1.336 0.000 1.804) 2.245 36.020 ( 7.238 0.000 -1.210) 7.338 36.235 ( 4.912 0.000 -3.742) 6.175 36.238 ( 0.650 0.000 -6.105) 6.140 36.415 ( -1.904 0.000 -4.452) 4.842 37.168 ( 11.038 0.000 6.995) 13.067 37.737 ( -13.202 0.000 -4.801) 14.048 37.808 ( 16.616 0.000 -7.131) 18.081 38.415 ( -12.140 0.000 -14.678) 19.048 39.761 ( 10.978 0.000 3.792) 11.615 39.814 ( 4.743 0.000 -0.497) 4.769 40.051 ( -4.843 0.000 0.023) 4.843 40.057 ( 4.881 0.000 -4.680) 6.762 40.260 ( 9.072 0.000 3.470) 9.713 40.278 ( 1.602 0.000 -10.037) 10.164 40.606 ( -10.243 0.000 -9.777) 14.160 40.876 ( -12.328 0.000 -8.355) 14.893 41.465 ( 17.128 0.000 10.120) 19.894 42.012 ( -5.208 0.000 -2.286) 5.687 42.054 ( 3.640 0.000 10.479) 11.094 42.425 ( -13.279 0.000 10.097) 16.682 42.717 ( -0.189 0.000 7.740) 7.742 42.978 ( -7.525 0.000 3.969) 8.508 43.236 ( 3.714 0.000 -11.823) 12.392 43.498 ( -8.091 0.000 -14.107) 16.262 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -1.882 0.000 2.680) 3.275 1.739 ( 1.882 0.000 2.680) 3.275 1.782 ( -2.022 0.000 2.980) 3.601 1.782 ( 2.022 0.000 2.980) 3.601 1.787 ( -1.417 0.000 3.072) 3.383 1.787 ( 1.417 0.000 3.072) 3.383 1.954 ( -2.562 0.000 -1.544) 2.992 1.954 ( 2.562 0.000 -1.544) 2.992 2.345 ( -6.648 0.000 3.005) 7.295 2.345 ( 6.648 0.000 3.005) 7.295 2.465 ( -4.435 0.000 0.490) 4.462 2.465 ( 4.435 0.000 0.490) 4.462 3.187 ( -18.084 0.000 8.005) 19.777 3.187 ( 18.084 0.000 8.005) 19.777 3.261 ( -18.988 0.000 3.369) 19.285 3.261 ( 18.988 0.000 3.369) 19.285 3.461 ( -30.498 0.000 -5.487) 30.988 3.461 ( 30.498 0.000 -5.487) 30.988 3.869 ( -3.108 0.000 4.690) 5.626 3.869 ( 3.108 0.000 4.690) 5.626 4.415 ( -21.014 0.000 15.627) 26.188 4.415 ( 21.014 0.000 15.627) 26.188 4.880 ( -7.636 0.000 -10.252) 12.784 4.880 ( 7.636 0.000 -10.252) 12.784 5.137 ( -3.476 0.000 -8.366) 9.059 5.137 ( 3.476 0.000 -8.366) 9.059 5.445 ( -16.844 0.000 -0.953) 16.870 5.445 ( 16.844 0.000 -0.953) 16.870 5.654 ( -9.644 0.000 -0.282) 9.649 5.654 ( 9.644 0.000 -0.282) 9.649 5.707 ( -11.523 0.000 5.355) 12.707 5.707 ( 11.523 0.000 5.355) 12.707 6.095 ( -9.378 0.000 -1.145) 9.448 6.095 ( 9.378 0.000 -1.145) 9.448 6.191 ( -7.429 0.000 3.660) 8.281 6.191 ( 7.429 0.000 3.660) 8.281 6.866 ( -28.946 0.000 8.885) 30.279 6.866 ( 28.946 0.000 8.885) 30.279 7.249 ( -20.737 0.000 12.070) 23.994 7.249 ( 20.737 0.000 12.070) 23.994 7.321 ( -10.259 0.000 1.269) 10.337 7.321 ( 10.259 0.000 1.269) 10.337 7.559 ( -2.018 0.000 -4.045) 4.520 7.559 ( 2.018 0.000 -4.045) 4.520 7.691 ( -3.844 0.000 2.665) 4.678 7.691 ( 3.844 0.000 2.665) 4.678 8.297 ( -15.272 0.000 12.661) 19.838 8.297 ( 15.272 0.000 12.661) 19.838 8.399 ( -8.224 0.000 -6.657) 10.581 8.399 ( 8.224 0.000 -6.657) 10.581 8.821 ( -3.450 0.000 -1.810) 3.896 8.821 ( 3.450 0.000 -1.810) 3.896 9.096 ( -16.850 0.000 -14.096) 21.969 9.096 ( 16.850 0.000 -14.096) 21.969 9.108 ( -2.967 0.000 -7.247) 7.831 9.108 ( 2.967 0.000 -7.247) 7.831 9.797 ( -11.407 0.000 -11.319) 16.070 9.797 ( 11.407 0.000 -11.319) 16.070 10.282 ( -10.774 0.000 -16.135) 19.401 10.282 ( 10.774 0.000 -16.135) 19.401 10.299 ( -2.427 0.000 -22.504) 22.634 10.299 ( 2.427 0.000 -22.504) 22.634 10.564 ( -20.535 0.000 7.112) 21.732 10.564 ( 20.535 0.000 7.112) 21.732 10.803 ( -2.981 0.000 -14.317) 14.624 10.803 ( 2.981 0.000 -14.317) 14.624 11.278 ( -7.174 0.000 -5.836) 9.248 11.278 ( 7.174 0.000 -5.836) 9.248 11.412 ( -2.057 0.000 3.895) 4.405 11.412 ( 2.057 0.000 3.895) 4.405 11.802 ( -10.368 0.000 8.707) 13.539 11.802 ( 10.368 0.000 8.707) 13.539 12.244 ( -3.698 0.000 4.105) 5.525 12.244 ( 3.698 0.000 4.105) 5.525 12.252 ( -9.284 0.000 6.660) 11.426 12.252 ( 9.284 0.000 6.660) 11.426 12.548 ( -9.275 0.000 6.327) 11.227 12.548 ( 9.275 0.000 6.327) 11.227 12.994 ( -9.196 0.000 1.950) 9.400 12.994 ( 9.196 0.000 1.950) 9.400 13.447 ( -31.118 0.000 7.593) 32.031 13.447 ( 31.118 0.000 7.593) 32.031 14.724 ( -20.600 0.000 -1.746) 20.674 14.724 ( 20.600 0.000 -1.746) 20.674 15.347 ( -9.733 0.000 16.133) 18.842 15.347 ( 9.733 0.000 16.133) 18.842 15.421 ( -19.776 0.000 5.117) 20.427 15.421 ( 19.776 0.000 5.117) 20.427 15.786 ( -10.109 0.000 1.498) 10.220 15.786 ( 10.109 0.000 1.498) 10.220 16.201 ( -16.085 0.000 -5.736) 17.077 16.201 ( 16.085 0.000 -5.736) 17.077 16.648 ( -8.200 0.000 6.032) 10.179 16.648 ( 8.200 0.000 6.032) 10.179 16.947 ( -9.420 0.000 -2.733) 9.809 16.947 ( 9.420 0.000 -2.733) 9.809 17.367 ( -6.702 0.000 -2.747) 7.243 17.367 ( 6.702 0.000 -2.747) 7.243 17.468 ( -4.948 0.000 -0.175) 4.951 17.468 ( 4.948 0.000 -0.175) 4.951 17.539 ( -6.212 0.000 2.090) 6.554 17.539 ( 6.212 0.000 2.090) 6.554 17.621 ( -15.944 0.000 -2.799) 16.187 17.621 ( 15.944 0.000 -2.799) 16.187 17.830 ( -16.206 0.000 -2.841) 16.454 17.830 ( 16.206 0.000 -2.841) 16.454 18.538 ( -6.591 0.000 -11.957) 13.653 18.538 ( 6.591 0.000 -11.957) 13.653 19.122 ( -5.424 0.000 0.813) 5.484 19.122 ( 5.424 0.000 0.813) 5.484 20.006 ( -1.943 0.000 7.795) 8.034 20.006 ( 1.943 0.000 7.795) 8.034 20.332 ( -4.500 0.000 -2.448) 5.123 20.332 ( 4.500 0.000 -2.448) 5.123 20.469 ( -3.258 0.000 -0.469) 3.292 20.469 ( 3.258 0.000 -0.469) 3.292 20.650 ( -0.918 0.000 -0.734) 1.175 20.650 ( 0.918 0.000 -0.734) 1.175 20.876 ( -6.492 0.000 1.726) 6.718 20.876 ( 6.492 0.000 1.726) 6.718 21.017 ( -0.808 0.000 -0.004) 0.808 21.017 ( 0.808 0.000 -0.004) 0.808 21.174 ( -7.864 0.000 -2.893) 8.380 21.174 ( 7.864 0.000 -2.893) 8.380 21.205 ( -5.499 0.000 -4.503) 7.107 21.205 ( 5.499 0.000 -4.503) 7.107 21.704 ( -10.015 0.000 6.447) 11.910 21.704 ( 10.015 0.000 6.447) 11.910 21.773 ( -4.728 0.000 -8.820) 10.008 21.773 ( 4.728 0.000 -8.820) 10.008 22.268 ( -5.459 0.000 10.653) 11.970 22.268 ( 5.459 0.000 10.653) 11.970 22.524 ( -7.137 0.000 -7.126) 10.085 22.524 ( 7.137 0.000 -7.126) 10.085 22.670 ( -5.664 0.000 -1.385) 5.830 22.670 ( 5.664 0.000 -1.385) 5.830 22.928 ( -10.875 0.000 0.449) 10.884 22.928 ( 10.875 0.000 0.449) 10.884 23.311 ( -8.647 0.000 -2.663) 9.048 23.311 ( 8.647 0.000 -2.663) 9.048 23.369 ( -7.722 0.000 1.138) 7.805 23.369 ( 7.722 0.000 1.138) 7.805 23.394 ( -3.315 0.000 7.040) 7.781 23.394 ( 3.315 0.000 7.040) 7.781 23.415 ( -8.357 0.000 1.980) 8.589 23.415 ( 8.357 0.000 1.980) 8.589 23.668 ( -8.109 0.000 6.561) 10.431 23.668 ( 8.109 0.000 6.561) 10.431 23.971 ( -12.244 0.000 2.296) 12.457 23.971 ( 12.244 0.000 2.296) 12.457 24.287 ( -12.260 0.000 6.280) 13.774 24.287 ( 12.260 0.000 6.280) 13.774 24.318 ( -8.508 0.000 -1.174) 8.588 24.318 ( 8.508 0.000 -1.174) 8.588 24.628 ( -8.067 0.000 8.802) 11.940 24.628 ( 8.067 0.000 8.802) 11.940 24.704 ( -10.530 0.000 -2.375) 10.794 24.704 ( 10.530 0.000 -2.375) 10.794 24.828 ( -5.373 0.000 -5.023) 7.356 24.828 ( 5.373 0.000 -5.023) 7.356 26.091 ( -6.135 0.000 -7.521) 9.706 26.091 ( 6.135 0.000 -7.521) 9.706 26.759 ( -5.374 0.000 -10.780) 12.045 26.759 ( 5.374 0.000 -10.780) 12.045 27.276 ( -1.682 0.000 -0.207) 1.695 27.276 ( 1.682 0.000 -0.207) 1.695 27.304 ( -1.503 0.000 2.540) 2.951 27.304 ( 1.503 0.000 2.540) 2.951 30.320 ( -9.474 0.000 0.807) 9.508 30.320 ( 9.474 0.000 0.807) 9.508 30.843 ( -3.929 0.000 3.187) 5.059 30.843 ( 3.929 0.000 3.187) 5.059 30.954 ( -6.684 0.000 -0.901) 6.745 30.954 ( 6.684 0.000 -0.901) 6.745 31.160 ( -4.961 0.000 2.145) 5.404 31.160 ( 4.961 0.000 2.145) 5.404 31.540 ( -3.386 0.000 5.050) 6.080 31.540 ( 3.386 0.000 5.050) 6.080 31.754 ( -2.096 0.000 2.155) 3.006 31.754 ( 2.096 0.000 2.155) 3.006 36.167 ( -6.762 0.000 -2.337) 7.155 36.167 ( 6.762 0.000 -2.337) 7.155 36.338 ( -5.176 0.000 -2.573) 5.781 36.338 ( 5.176 0.000 -2.573) 5.781 37.445 ( -15.803 0.000 -0.099) 15.803 37.445 ( 15.803 0.000 -0.099) 15.803 38.134 ( -16.060 0.000 -12.399) 20.289 38.134 ( 16.060 0.000 -12.399) 20.289 39.924 ( -6.500 0.000 0.917) 6.564 39.924 ( 6.500 0.000 0.917) 6.564 39.963 ( -9.028 0.000 3.218) 9.584 39.963 ( 9.028 0.000 3.218) 9.584 40.405 ( -9.409 0.000 -11.965) 15.221 40.405 ( 9.409 0.000 -11.965) 15.221 40.579 ( -17.443 0.000 -5.583) 18.314 40.579 ( 17.443 0.000 -5.583) 18.314 41.794 ( -15.430 0.000 7.386) 17.106 41.794 ( 15.430 0.000 7.386) 17.106 42.191 ( -10.043 0.000 9.514) 13.834 42.191 ( 10.043 0.000 9.514) 13.834 42.813 ( -8.257 0.000 3.188) 8.851 42.813 ( 8.257 0.000 3.188) 8.851 43.342 ( -7.081 0.000 -12.291) 14.185 43.342 ( 7.081 0.000 -12.291) 14.185 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 9.255 27.504) 29.020 1.498 ( 0.000 4.867 7.732) 9.136 1.540 ( 0.000 4.589 5.123) 6.878 1.812 ( 0.000 -2.857 3.133) 4.240 1.834 ( 0.000 1.336 1.153) 1.765 1.864 ( 0.000 -3.496 2.626) 4.373 1.934 ( 0.000 12.564 6.870) 14.320 1.970 ( 0.000 3.395 0.212) 3.401 2.090 ( 0.000 7.038 13.993) 15.663 2.189 ( 0.000 -4.686 5.927) 7.555 2.265 ( 0.000 -0.249 1.911) 1.927 2.441 ( 0.000 -16.351 5.600) 17.283 2.603 ( 0.000 11.107 5.262) 12.290 2.738 ( 0.000 2.978 11.275) 11.662 2.958 ( 0.000 6.125 12.135) 13.593 2.991 ( 0.000 -4.594 3.679) 5.885 3.246 ( 0.000 0.348 17.515) 17.518 3.503 ( 0.000 -3.486 22.938) 23.202 3.976 ( 0.000 -15.770 1.698) 15.861 4.094 ( 0.000 -23.755 17.727) 29.641 4.246 ( 0.000 2.719 2.863) 3.949 4.608 ( 0.000 -6.732 -12.477) 14.177 4.632 ( 0.000 -6.190 7.468) 9.700 4.698 ( 0.000 -1.319 3.362) 3.611 5.066 ( 0.000 16.335 -6.530) 17.592 5.073 ( 0.000 3.722 2.663) 4.576 5.227 ( 0.000 15.659 -3.965) 16.153 5.401 ( 0.000 -0.619 8.581) 8.603 5.551 ( 0.000 14.069 -12.254) 18.658 5.830 ( 0.000 -3.177 -7.437) 8.088 5.997 ( 0.000 22.264 2.403) 22.393 6.065 ( 0.000 8.820 -4.310) 9.817 6.253 ( 0.000 -6.047 -6.861) 9.145 6.312 ( 0.000 4.134 -11.360) 12.089 6.525 ( 0.000 -7.886 -1.413) 8.012 6.772 ( 0.000 -13.482 -15.694) 20.690 6.815 ( 0.000 2.697 6.834) 7.347 6.844 ( 0.000 1.726 -9.865) 10.015 6.983 ( 0.000 -6.631 3.353) 7.431 7.062 ( 0.000 -6.540 3.816) 7.572 7.139 ( 0.000 2.192 -6.917) 7.256 7.181 ( 0.000 4.119 -11.752) 12.453 7.396 ( 0.000 1.084 7.754) 7.830 7.544 ( 0.000 -10.410 9.570) 14.140 7.557 ( 0.000 -9.884 -7.418) 12.358 7.701 ( 0.000 -14.216 16.948) 22.121 7.873 ( 0.000 5.167 -6.255) 8.114 8.004 ( 0.000 0.849 9.695) 9.733 8.246 ( 0.000 14.588 0.612) 14.601 8.643 ( 0.000 5.465 2.772) 6.128 8.761 ( 0.000 -5.813 -7.839) 9.759 9.000 ( 0.000 -3.136 -9.526) 10.029 9.248 ( 0.000 2.449 -5.420) 5.947 9.267 ( 0.000 2.750 -7.241) 7.746 9.547 ( 0.000 -7.368 -4.420) 8.592 9.563 ( 0.000 -6.966 -11.424) 13.380 9.696 ( 0.000 0.735 -0.470) 0.873 9.817 ( 0.000 1.690 -13.992) 14.094 9.841 ( 0.000 10.095 -5.899) 11.693 9.899 ( 0.000 -4.984 5.212) 7.211 10.076 ( 0.000 10.525 -15.851) 19.027 10.120 ( 0.000 -9.695 -18.120) 20.550 10.516 ( 0.000 -0.260 -2.282) 2.297 10.561 ( 0.000 8.023 -12.814) 15.119 10.933 ( 0.000 11.145 -16.474) 19.889 11.012 ( 0.000 -3.650 -10.386) 11.009 11.257 ( 0.000 -6.958 -2.373) 7.352 11.319 ( 0.000 -4.915 -13.225) 14.109 11.493 ( 0.000 -4.087 0.401) 4.107 11.601 ( 0.000 -13.401 8.256) 15.740 11.754 ( 0.000 7.021 2.712) 7.526 11.852 ( 0.000 -1.505 4.787) 5.018 11.911 ( 0.000 8.393 3.473) 9.083 12.093 ( 0.000 -1.629 12.829) 12.932 12.587 ( 0.000 -0.592 6.463) 6.490 12.645 ( 0.000 0.472 11.123) 11.133 12.747 ( 0.000 2.778 11.501) 11.832 12.837 ( 0.000 10.272 18.478) 21.141 12.928 ( 0.000 -12.552 5.942) 13.887 13.395 ( 0.000 2.002 12.385) 12.546 13.588 ( 0.000 15.205 -12.512) 19.691 13.633 ( 0.000 1.708 5.467) 5.728 14.358 ( 0.000 8.953 8.978) 12.679 14.663 ( 0.000 -14.683 -6.196) 15.937 14.730 ( 0.000 -10.058 1.914) 10.239 14.894 ( 0.000 8.007 6.024) 10.020 15.106 ( 0.000 -15.022 4.480) 15.676 15.159 ( 0.000 2.377 -1.482) 2.801 15.494 ( 0.000 -0.758 11.610) 11.634 15.601 ( 0.000 -0.867 7.434) 7.485 16.423 ( 0.000 2.067 6.597) 6.913 16.630 ( 0.000 0.280 -8.190) 8.195 16.681 ( 0.000 8.984 4.427) 10.016 16.773 ( 0.000 -2.459 -1.344) 2.802 16.859 ( 0.000 1.493 3.496) 3.801 17.017 ( 0.000 -5.710 1.237) 5.843 17.222 ( 0.000 1.080 -13.541) 13.584 17.310 ( 0.000 4.347 -6.766) 8.042 17.398 ( 0.000 3.152 -3.231) 4.514 17.524 ( 0.000 -5.492 -3.703) 6.624 17.636 ( 0.000 -0.561 3.544) 3.588 17.889 ( 0.000 -8.530 0.841) 8.572 18.025 ( 0.000 6.333 1.509) 6.510 18.283 ( 0.000 1.599 9.588) 9.720 18.374 ( 0.000 -6.564 -2.558) 7.045 18.476 ( 0.000 -8.006 -0.992) 8.067 18.488 ( 0.000 7.513 0.902) 7.567 18.713 ( 0.000 0.200 -1.038) 1.057 18.969 ( 0.000 13.920 -3.051) 14.250 19.147 ( 0.000 10.764 -5.545) 12.108 19.601 ( 0.000 -3.674 15.589) 16.016 20.094 ( 0.000 -14.330 3.283) 14.701 20.171 ( 0.000 5.533 1.538) 5.743 20.308 ( 0.000 1.904 1.797) 2.618 20.395 ( 0.000 -3.799 -1.248) 3.998 20.433 ( 0.000 -1.074 -1.132) 1.560 20.458 ( 0.000 -3.981 -2.916) 4.934 20.620 ( 0.000 -3.703 -4.724) 6.002 20.694 ( 0.000 0.474 -6.668) 6.685 20.765 ( 0.000 -1.785 -7.177) 7.396 20.927 ( 0.000 -1.303 0.585) 1.428 20.952 ( 0.000 -4.661 -5.167) 6.958 20.991 ( 0.000 8.648 0.946) 8.699 21.120 ( 0.000 6.030 -7.765) 9.832 21.205 ( 0.000 0.440 -3.303) 3.332 21.319 ( 0.000 -3.163 -10.427) 10.896 21.457 ( 0.000 1.002 0.987) 1.407 21.620 ( 0.000 -4.612 -1.458) 4.837 21.696 ( 0.000 4.574 0.264) 4.582 21.795 ( 0.000 -0.717 -3.980) 4.044 21.924 ( 0.000 8.538 -1.238) 8.627 22.297 ( 0.000 7.233 5.531) 9.105 22.334 ( 0.000 -5.355 -1.411) 5.538 22.543 ( 0.000 -2.385 0.454) 2.428 22.619 ( 0.000 9.902 -1.550) 10.022 22.701 ( 0.000 -11.437 -1.145) 11.494 22.960 ( 0.000 -7.589 2.091) 7.871 23.005 ( 0.000 1.800 -0.674) 1.922 23.024 ( 0.000 0.680 0.811) 1.058 23.089 ( 0.000 -3.800 4.626) 5.987 23.113 ( 0.000 8.146 7.117) 10.817 23.228 ( 0.000 1.206 -0.871) 1.488 23.396 ( 0.000 4.926 2.927) 5.730 23.471 ( 0.000 -3.473 1.965) 3.990 23.509 ( 0.000 -6.529 4.636) 8.008 23.537 ( 0.000 6.605 -1.793) 6.844 23.610 ( 0.000 -0.993 -0.192) 1.011 23.851 ( 0.000 5.494 3.572) 6.553 23.916 ( 0.000 7.552 2.072) 7.831 23.999 ( 0.000 -9.794 -7.362) 12.253 24.231 ( 0.000 -0.700 -2.755) 2.843 24.273 ( 0.000 1.258 -3.542) 3.758 24.378 ( 0.000 1.130 8.884) 8.955 24.561 ( 0.000 -6.475 8.502) 10.687 24.604 ( 0.000 2.474 -0.537) 2.532 24.767 ( 0.000 -3.369 1.858) 3.847 25.185 ( 0.000 -1.515 -1.243) 1.960 25.189 ( 0.000 -1.962 -2.243) 2.980 25.473 ( 0.000 14.218 1.412) 14.288 25.729 ( 0.000 6.847 5.283) 8.648 26.014 ( 0.000 -4.921 1.433) 5.125 26.104 ( 0.000 -4.793 0.558) 4.825 26.197 ( 0.000 2.525 -3.311) 4.164 26.470 ( 0.000 -17.537 -14.417) 22.702 27.083 ( 0.000 -5.725 3.565) 6.744 27.147 ( 0.000 -1.851 3.256) 3.746 27.236 ( 0.000 2.559 5.673) 6.223 27.376 ( 0.000 -1.209 0.017) 1.209 29.950 ( 0.000 -0.530 7.504) 7.523 30.188 ( 0.000 -12.508 0.450) 12.516 30.927 ( 0.000 9.584 2.778) 9.978 30.931 ( 0.000 13.657 1.114) 13.702 31.070 ( 0.000 0.445 3.632) 3.659 31.097 ( 0.000 -0.128 3.617) 3.619 31.228 ( 0.000 3.020 -0.038) 3.020 31.300 ( 0.000 -1.311 -1.024) 1.663 31.316 ( 0.000 -1.969 1.695) 2.599 31.391 ( 0.000 3.622 -2.251) 4.265 31.581 ( 0.000 -3.241 2.808) 4.288 31.610 ( 0.000 -8.990 1.573) 9.127 35.981 ( 0.000 4.821 -5.444) 7.272 36.037 ( 0.000 0.165 -8.334) 8.336 36.148 ( 0.000 1.955 -7.043) 7.310 36.280 ( 0.000 -2.587 -8.263) 8.659 37.037 ( 0.000 2.176 13.692) 13.864 37.255 ( 0.000 -9.976 14.153) 17.316 38.145 ( 0.000 11.188 -7.840) 13.661 38.561 ( 0.000 -7.459 -12.781) 14.798 39.480 ( 0.000 0.057 3.438) 3.438 39.554 ( 0.000 -4.345 3.520) 5.592 39.910 ( 0.000 14.312 -9.871) 17.386 40.079 ( 0.000 2.508 -11.672) 11.938 40.324 ( 0.000 3.377 4.614) 5.718 40.556 ( 0.000 -7.330 2.303) 7.683 40.763 ( 0.000 10.589 -1.070) 10.643 41.099 ( 0.000 -1.473 -12.680) 12.765 41.121 ( 0.000 6.035 5.199) 7.966 41.596 ( 0.000 -19.745 3.448) 20.044 42.458 ( 0.000 22.244 -9.774) 24.297 42.852 ( 0.000 2.499 10.720) 11.007 42.887 ( 0.000 -2.397 10.870) 11.131 43.107 ( 0.000 -7.107 -12.002) 13.949 43.208 ( 0.000 10.178 -1.894) 10.353 43.598 ( 0.000 -6.472 -15.495) 16.792 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 14.465 9.341 16.168) 23.620 1.512 ( 3.476 4.226 9.365) 10.846 1.599 ( 5.909 2.758 4.863) 8.134 1.816 ( 0.337 3.368 5.160) 6.171 1.820 ( 0.113 -0.525 1.632) 1.718 1.864 ( -0.480 -1.686 2.065) 2.709 1.882 ( -1.123 6.911 5.516) 8.913 1.975 ( 0.538 2.768 0.088) 2.821 2.128 ( 0.803 3.124 4.894) 5.861 2.233 ( 5.605 -2.684 8.929) 10.878 2.285 ( 1.767 -1.407 2.246) 3.185 2.454 ( 1.747 -4.334 4.476) 6.471 2.628 ( 6.173 0.260 5.380) 8.193 2.826 ( 5.493 -2.931 7.082) 9.430 2.897 ( -4.620 -4.053 5.633) 8.336 2.971 ( 5.536 -10.417 9.984) 15.455 3.332 ( 8.348 8.951 15.240) 19.547 3.932 ( 14.374 -13.717 7.975) 21.409 4.060 ( 25.850 3.028 13.742) 29.432 4.122 ( -12.392 4.153 3.495) 13.529 4.404 ( 14.688 -10.004 10.166) 20.474 4.545 ( -2.506 -3.173 10.599) 11.344 4.647 ( 1.800 -2.002 -1.851) 3.267 4.684 ( 1.430 -10.879 -7.788) 13.456 5.057 ( 0.592 1.207 0.725) 1.528 5.094 ( 4.143 12.854 -2.398) 13.717 5.215 ( -2.097 12.118 -5.478) 13.463 5.272 ( -13.301 -0.074 2.345) 13.506 5.635 ( 0.242 10.187 -5.792) 11.721 5.674 ( -0.037 3.088 -5.516) 6.321 5.873 ( -15.781 -0.987 -8.557) 17.979 5.959 ( -12.673 -1.182 -10.763) 16.669 6.188 ( -8.202 3.969 -3.406) 9.727 6.354 ( 9.813 8.469 -6.027) 14.295 6.440 ( -3.669 -0.873 -2.180) 4.356 6.629 ( -5.988 5.278 1.615) 8.144 6.673 ( -3.860 -0.201 5.951) 7.096 6.784 ( -18.563 4.875 7.695) 20.677 6.870 ( -4.286 1.073 4.523) 6.323 7.059 ( 5.276 -0.964 -1.834) 5.669 7.263 ( 7.815 -7.792 -4.927) 12.086 7.330 ( 8.640 -6.818 -4.140) 11.759 7.509 ( 1.752 -13.900 13.927) 19.755 7.641 ( 7.398 -17.131 4.870) 19.286 7.768 ( 8.671 2.442 -3.058) 9.513 7.818 ( 9.335 0.703 2.524) 9.696 7.941 ( 21.504 0.771 -9.414) 23.487 8.101 ( 3.672 1.999 -0.880) 4.273 8.226 ( -2.704 10.376 1.239) 10.794 8.652 ( 0.764 6.553 2.584) 7.085 8.764 ( -3.994 -3.834 3.372) 6.482 8.927 ( -2.758 -1.359 -9.300) 9.795 9.126 ( -13.437 5.538 -0.346) 14.538 9.261 ( -5.837 0.599 -8.702) 10.495 9.347 ( -1.276 -5.288 -16.756) 17.617 9.522 ( -10.211 -4.261 -7.883) 13.585 9.691 ( -10.178 12.108 -6.312) 17.030 9.792 ( 2.924 8.745 -12.318) 15.387 9.801 ( 4.408 -11.187 -6.246) 13.550 9.903 ( 1.522 -12.838 2.806) 13.229 10.088 ( 1.202 4.893 -16.497) 17.249 10.216 ( 5.231 -8.623 -13.680) 16.996 10.541 ( 2.785 2.717 -7.160) 8.148 10.650 ( 6.192 4.330 -14.386) 16.249 10.908 ( -1.332 8.557 -15.619) 17.859 11.060 ( 3.923 -0.532 -8.084) 9.001 11.223 ( -2.086 -8.353 -3.652) 9.353 11.353 ( -2.085 -6.308 1.260) 6.762 11.389 ( -4.198 -1.149 -5.968) 7.386 11.566 ( -4.188 -0.314 4.304) 6.014 11.744 ( 0.725 -3.797 1.410) 4.115 11.851 ( -1.851 -5.065 8.078) 9.713 12.054 ( 11.371 8.275 10.832) 17.752 12.102 ( 0.208 0.499 5.099) 5.128 12.487 ( -8.090 7.339 7.281) 13.127 12.573 ( -10.249 -3.261 8.428) 13.664 12.726 ( -1.887 2.377 9.549) 10.020 12.801 ( -2.662 12.059 15.162) 19.555 12.993 ( 3.784 -10.622 6.127) 12.833 13.396 ( -10.621 9.514 0.395) 14.265 13.450 ( -1.277 -5.131 7.830) 9.448 13.556 ( -1.697 10.054 -5.467) 11.570 14.442 ( 5.635 0.640 13.136) 14.308 14.661 ( 5.306 -2.588 2.550) 6.431 14.798 ( -0.021 0.658 3.030) 3.101 15.006 ( 13.997 -4.164 2.266) 14.778 15.095 ( -1.041 -10.647 3.330) 11.204 15.236 ( 7.881 2.667 2.307) 8.634 15.483 ( 4.027 -8.866 8.390) 12.854 15.792 ( 10.304 -6.777 3.765) 12.895 16.241 ( -11.029 10.415 2.087) 15.312 16.666 ( -1.754 14.007 2.222) 14.291 16.759 ( 0.292 -3.978 -2.073) 4.495 16.808 ( 8.838 2.428 -2.496) 9.499 16.956 ( 9.191 4.144 3.177) 10.571 17.066 ( -4.981 -0.108 -9.427) 10.663 17.131 ( 1.714 -4.285 -5.789) 7.404 17.320 ( -1.397 -2.862 -6.388) 7.138 17.359 ( -3.800 0.496 -1.220) 4.022 17.457 ( -4.166 1.268 -0.558) 4.391 17.604 ( -3.565 0.759 4.089) 5.478 17.760 ( -13.838 -6.493 2.707) 15.523 17.893 ( -8.484 2.086 0.846) 8.777 18.137 ( -7.338 -4.688 2.495) 9.058 18.149 ( -18.751 -4.026 1.275) 19.221 18.404 ( -5.134 -10.110 -3.412) 11.841 18.529 ( -5.707 3.577 -2.154) 7.072 18.745 ( -10.566 -2.729 -2.497) 11.194 19.017 ( 7.491 18.542 -1.820) 20.080 19.074 ( 4.884 14.914 -0.718) 15.710 19.722 ( 8.937 -6.854 12.818) 17.063 19.974 ( -7.275 -11.192 4.524) 14.094 20.210 ( 3.234 3.747 -1.827) 5.276 20.344 ( 2.978 0.336 0.104) 2.999 20.410 ( -0.007 -3.083 -0.972) 3.233 20.466 ( 0.684 -5.587 -0.301) 5.636 20.541 ( 5.222 0.014 -0.777) 5.279 20.612 ( 2.958 -3.302 -4.496) 6.314 20.774 ( 4.119 2.259 -5.775) 7.445 20.815 ( 5.888 -0.678 -6.275) 8.632 20.930 ( 0.967 0.564 -0.385) 1.184 20.975 ( 3.598 -0.795 -1.941) 4.165 21.076 ( 3.165 2.946 -5.807) 7.240 21.090 ( -0.360 4.339 -4.305) 6.123 21.243 ( 1.979 1.460 -1.287) 2.776 21.296 ( 0.095 -1.429 -6.295) 6.456 21.518 ( -0.659 -2.048 -1.005) 2.374 21.622 ( 4.036 -4.564 -1.727) 6.333 21.772 ( 0.208 3.329 -2.313) 4.059 21.853 ( 8.322 0.207 -6.768) 10.729 21.947 ( 6.846 6.257 0.361) 9.281 22.313 ( -0.895 -5.387 2.594) 6.046 22.356 ( 4.769 6.215 4.451) 9.011 22.505 ( -4.541 2.787 4.160) 6.760 22.609 ( 1.031 5.512 -3.516) 6.619 22.731 ( 1.398 -9.769 -0.775) 9.899 22.922 ( -2.670 -3.546 2.394) 5.043 22.948 ( -6.239 0.730 -1.105) 6.378 23.034 ( 3.686 0.559 -0.568) 3.771 23.105 ( 1.452 -5.078 3.715) 6.457 23.176 ( 5.584 2.944 2.232) 6.696 23.302 ( 5.948 2.679 6.663) 9.325 23.425 ( 2.446 3.883 3.502) 5.772 23.477 ( 0.995 0.286 1.064) 1.485 23.542 ( -1.131 -0.479 2.102) 2.434 23.558 ( 1.470 0.887 0.773) 1.883 23.597 ( 2.300 0.680 0.959) 2.583 23.842 ( -0.352 4.391 1.389) 4.619 23.934 ( 1.170 0.642 -0.410) 1.396 24.069 ( 5.864 -5.452 -3.362) 8.684 24.161 ( -4.808 1.545 -0.508) 5.076 24.232 ( -5.291 0.726 0.795) 5.400 24.356 ( -2.399 -0.516 6.474) 6.923 24.487 ( -6.167 -7.545 5.905) 11.394 24.623 ( 0.405 2.609 -3.367) 4.279 24.720 ( -4.119 -0.515 1.550) 4.431 24.996 ( -17.223 0.343 3.762) 17.633 25.105 ( -9.608 -3.406 -3.169) 10.675 25.239 ( -13.751 5.558 5.555) 15.838 25.436 ( -29.025 -3.414 10.049) 30.904 25.900 ( 9.644 11.858 -2.877) 15.553 26.221 ( 3.043 2.977 -5.064) 6.616 26.391 ( 9.267 -1.310 -3.616) 10.034 26.593 ( 7.142 -13.513 -14.663) 21.180 27.126 ( 3.750 -5.477 2.635) 7.142 27.182 ( 2.822 -2.479 2.684) 4.617 27.281 ( 3.500 2.179 3.048) 5.127 27.385 ( 0.474 -0.421 -0.549) 0.839 30.009 ( 5.638 0.246 6.256) 8.425 30.246 ( 5.542 -12.006 0.071) 13.224 30.837 ( -8.366 4.498 0.887) 9.540 30.884 ( -4.452 1.140 0.609) 4.636 31.046 ( -0.459 7.108 4.307) 8.324 31.097 ( 1.464 7.265 4.181) 8.509 31.244 ( -1.405 2.235 -0.004) 2.640 31.314 ( 3.932 1.884 0.700) 4.416 31.371 ( 1.438 4.062 0.331) 4.322 31.482 ( 8.332 -3.661 0.463) 9.113 31.568 ( -1.290 -6.080 3.225) 7.002 31.644 ( 2.832 -6.910 1.418) 7.601 35.969 ( 1.608 4.221 -3.646) 5.805 36.102 ( 4.150 -2.552 -6.557) 8.169 36.211 ( 5.449 3.804 -7.873) 10.302 36.360 ( 4.949 -2.744 -8.753) 10.423 37.069 ( 3.942 3.339 12.218) 13.265 37.359 ( 10.555 -11.833 7.885) 17.708 38.062 ( -8.195 10.263 -6.863) 14.818 38.493 ( -7.067 -9.214 -12.652) 17.173 39.563 ( 7.976 0.090 3.597) 8.750 39.640 ( 7.391 -4.870 2.973) 9.337 39.977 ( 6.692 11.910 -10.719) 17.365 40.099 ( 1.639 2.497 -9.886) 10.327 40.300 ( -2.054 3.909 4.615) 6.387 40.433 ( -8.548 1.414 0.311) 8.670 40.777 ( -2.516 2.671 -6.551) 7.509 40.966 ( -7.502 -4.243 -8.529) 12.126 41.279 ( 11.298 7.408 5.239) 14.490 41.675 ( 6.949 -16.474 5.689) 18.762 42.386 ( -7.367 17.553 -5.702) 19.872 42.692 ( -13.476 -0.264 10.257) 16.938 42.833 ( -4.097 2.841 9.398) 10.638 43.124 ( 1.473 -6.461 -10.672) 12.562 43.177 ( -3.411 9.032 -0.878) 9.695 43.560 ( -4.329 -6.775 -14.964) 16.987 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 7.986 1.449 4.486) 9.273 1.637 ( 6.621 -0.143 4.354) 7.925 1.729 ( 4.612 1.433 3.790) 6.139 1.816 ( -1.097 -0.747 2.175) 2.548 1.823 ( -1.108 0.147 2.118) 2.395 1.855 ( 0.043 4.289 4.173) 5.984 1.889 ( 1.254 -0.265 0.264) 1.309 1.979 ( -0.847 0.013 -1.467) 1.694 2.192 ( 7.550 1.889 4.095) 8.794 2.335 ( 3.967 -3.507 2.877) 6.026 2.379 ( 4.969 1.133 5.585) 7.561 2.500 ( -0.902 -3.198 1.155) 3.518 2.845 ( 19.216 0.749 2.818) 19.436 2.887 ( 6.519 -3.572 6.384) 9.799 2.971 ( 15.747 4.426 3.416) 16.710 3.299 ( 14.820 -6.640 9.907) 19.023 3.502 ( 7.455 -1.618 6.683) 10.142 3.789 ( -17.509 8.986 4.868) 20.274 3.907 ( -7.305 -9.358 4.799) 12.805 4.189 ( -17.796 5.170 3.143) 18.796 4.378 ( -13.786 3.297 -2.095) 14.328 4.558 ( 1.271 -19.523 -2.842) 19.770 4.725 ( -10.151 -5.638 3.686) 12.183 4.913 ( 13.538 6.399 1.845) 15.087 4.951 ( -2.094 -8.578 -6.454) 10.937 5.165 ( -2.733 12.021 -10.422) 16.143 5.234 ( 16.384 1.939 2.338) 16.663 5.355 ( 14.972 -1.781 4.683) 15.788 5.549 ( -2.209 -2.145 -3.382) 4.574 5.678 ( -0.856 -6.759 -9.091) 11.360 5.828 ( 9.160 7.638 0.501) 11.938 5.889 ( 7.652 -3.054 2.168) 8.519 6.055 ( -5.397 13.149 4.998) 15.067 6.171 ( -8.674 8.595 5.177) 13.263 6.314 ( -23.023 6.595 12.102) 26.833 6.475 ( -10.356 7.719 3.958) 13.509 6.655 ( 5.566 2.268 5.577) 8.199 6.804 ( 17.982 8.470 -6.794) 21.007 6.919 ( 12.580 1.913 9.009) 15.591 7.224 ( 6.762 -4.654 2.153) 8.487 7.393 ( 2.841 -8.596 0.958) 9.103 7.436 ( -0.575 -7.260 -1.301) 7.398 7.475 ( 0.833 -5.793 3.529) 6.834 7.768 ( 1.676 -4.606 1.887) 5.252 7.821 ( 1.683 -8.496 10.071) 13.283 7.859 ( -10.378 -2.881 2.124) 10.978 7.951 ( -20.626 11.774 5.111) 24.294 8.222 ( 11.365 4.195 -4.105) 12.791 8.399 ( 4.045 -6.544 -7.927) 11.046 8.598 ( -4.555 4.221 -6.277) 8.830 8.661 ( 4.043 -5.713 -3.183) 7.688 8.912 ( 0.415 11.881 0.552) 11.902 8.955 ( 0.195 3.752 -8.697) 9.474 9.202 ( -7.560 -1.694 -7.195) 10.573 9.314 ( 0.327 3.079 -6.184) 6.916 9.358 ( -5.277 1.237 -11.203) 12.446 9.552 ( -0.866 7.445 -8.726) 11.503 9.779 ( -0.731 -3.719 -13.485) 14.007 9.963 ( 6.513 -12.770 -7.233) 16.056 10.030 ( 14.203 -9.927 -10.056) 20.035 10.166 ( 7.109 0.705 -13.660) 15.415 10.247 ( -1.710 -13.879 -11.684) 18.223 10.547 ( -4.746 3.265 -12.430) 13.700 10.703 ( -3.680 -4.322 -14.743) 15.798 10.927 ( 3.169 15.899 -10.274) 19.193 11.127 ( -0.524 0.073 -1.247) 1.354 11.192 ( -3.645 4.806 -9.670) 11.397 11.225 ( -2.264 -7.448 2.872) 8.298 11.321 ( -3.155 -3.862 -0.333) 4.998 11.466 ( -5.503 0.377 4.599) 7.182 11.735 ( -1.559 -5.369 2.169) 5.997 11.878 ( 4.558 -9.807 6.989) 12.876 12.104 ( 1.217 -0.065 3.813) 4.002 12.165 ( -6.172 2.515 11.286) 13.107 12.316 ( -4.924 3.155 4.757) 7.538 12.348 ( -9.412 -4.953 4.471) 11.537 12.669 ( -2.132 11.269 13.185) 17.475 12.842 ( 3.248 0.923 6.896) 7.678 12.947 ( -6.280 10.000 4.522) 12.644 13.108 ( -7.780 3.245 -0.845) 8.472 13.399 ( -0.495 16.268 2.778) 16.511 13.843 ( 16.247 -2.604 -1.546) 16.527 14.331 ( -9.437 -2.666 6.982) 12.038 14.800 ( -1.930 -18.719 3.458) 19.133 15.016 ( 9.561 2.468 12.451) 15.891 15.037 ( 17.286 0.975 8.863) 19.451 15.292 ( 7.712 4.710 9.111) 12.833 15.567 ( 21.454 -6.957 2.461) 22.687 15.589 ( 9.196 -10.189 1.497) 13.806 15.824 ( -6.720 -10.771 1.357) 12.768 16.085 ( -7.017 16.118 0.162) 17.580 16.564 ( -10.238 11.180 -5.031) 15.973 16.712 ( -3.631 6.099 0.558) 7.120 16.841 ( -12.151 -1.654 1.255) 12.327 16.930 ( -0.276 3.966 -0.421) 3.998 17.186 ( 5.231 -6.992 -3.367) 9.359 17.210 ( 0.273 1.930 -4.382) 4.796 17.249 ( 7.926 -1.075 0.668) 8.027 17.367 ( 1.081 -0.919 -2.403) 2.791 17.393 ( 2.920 4.131 -1.773) 5.361 17.518 ( -2.185 -1.748 0.580) 2.858 17.578 ( -5.866 -3.348 1.428) 6.904 17.726 ( -12.197 4.829 1.718) 13.230 17.804 ( -8.963 -1.496 0.025) 9.087 17.959 ( -11.266 -0.026 2.862) 11.624 18.252 ( -13.238 -9.312 -5.981) 17.255 18.305 ( -13.155 -6.766 -4.597) 15.490 18.473 ( -7.841 -8.967 -9.420) 15.187 19.191 ( 8.594 19.459 0.056) 21.272 19.262 ( 7.908 14.238 0.736) 16.303 19.850 ( 3.556 -9.912 6.935) 12.609 19.909 ( 0.359 -10.428 6.512) 12.299 20.276 ( 3.557 2.675 -2.184) 4.958 20.394 ( 1.314 -0.684 -0.034) 1.481 20.402 ( -0.764 -0.726 -1.204) 1.600 20.447 ( -1.349 -5.340 -1.030) 5.603 20.638 ( 5.085 0.771 -0.257) 5.149 20.694 ( 3.634 0.353 -1.199) 3.843 20.817 ( 0.393 4.865 -2.133) 5.327 20.925 ( 1.535 -1.471 -4.936) 5.375 20.987 ( 4.223 0.208 -2.672) 5.002 21.016 ( 1.240 0.530 -1.617) 2.105 21.066 ( 1.621 2.207 -1.998) 3.390 21.154 ( 2.568 1.762 -4.045) 5.105 21.253 ( -0.741 1.860 -3.009) 3.614 21.328 ( 0.791 1.529 -2.282) 2.859 21.490 ( -0.006 -4.786 -1.510) 5.018 21.643 ( -1.439 -8.223 -4.323) 9.401 21.806 ( 3.380 6.893 1.885) 7.905 21.952 ( 2.304 6.572 -1.059) 7.044 22.150 ( 6.580 -4.743 3.469) 8.822 22.314 ( 0.099 -6.045 6.592) 8.945 22.444 ( 1.312 7.496 1.352) 7.729 22.478 ( 6.998 3.740 0.194) 7.937 22.628 ( 0.424 1.609 -7.044) 7.238 22.735 ( -0.542 -5.546 3.378) 6.517 22.830 ( -4.094 3.323 -1.578) 5.504 22.924 ( 1.996 -5.724 -2.936) 6.735 23.126 ( 3.446 -4.276 0.750) 5.543 23.153 ( 5.808 -4.472 2.204) 7.655 23.305 ( 6.231 3.912 2.707) 7.839 23.393 ( 2.183 1.329 6.286) 6.786 23.441 ( -3.270 0.959 2.623) 4.300 23.448 ( -2.173 0.017 1.553) 2.670 23.559 ( 2.681 4.279 3.914) 6.389 23.572 ( -0.819 4.231 0.265) 4.317 23.639 ( 1.193 3.012 3.788) 4.984 23.840 ( 0.352 1.691 3.297) 3.722 23.937 ( -3.781 7.170 2.770) 8.566 24.035 ( -6.129 -4.030 3.947) 8.329 24.114 ( 2.020 -0.673 3.132) 3.787 24.226 ( 1.072 -0.413 1.762) 2.103 24.297 ( -4.116 -7.493 4.418) 9.623 24.364 ( 1.582 -10.805 -2.085) 11.117 24.568 ( -9.788 2.538 -3.354) 10.653 24.677 ( -1.933 2.647 -0.031) 3.278 24.694 ( -8.620 -1.391 0.707) 8.760 24.856 ( -8.740 -4.646 1.173) 9.967 24.975 ( -12.591 4.575 6.838) 15.041 25.076 ( -11.094 1.528 4.488) 12.065 26.065 ( 7.394 11.499 -7.235) 15.467 26.251 ( -0.787 7.042 -7.579) 10.375 26.550 ( 7.149 -5.332 -7.278) 11.512 26.675 ( 1.604 -11.366 -13.166) 17.467 27.209 ( 4.467 -1.898 1.720) 5.149 27.243 ( 3.409 -1.306 1.807) 4.073 27.325 ( 0.395 1.984 1.559) 2.554 27.373 ( -1.970 1.219 -0.359) 2.344 30.155 ( 9.034 1.800 3.691) 9.924 30.376 ( 6.179 -8.154 -1.228) 10.304 30.650 ( -9.019 -2.895 1.607) 9.607 30.769 ( -7.032 -7.779 -0.662) 10.507 31.081 ( 3.572 11.394 4.280) 12.685 31.137 ( 2.076 7.498 3.679) 8.606 31.233 ( -0.040 7.888 0.594) 7.911 31.306 ( -2.706 7.192 1.210) 7.779 31.443 ( 3.849 -0.490 3.269) 5.074 31.535 ( -1.698 -6.182 3.962) 7.537 31.624 ( 5.394 -5.125 1.824) 7.661 31.691 ( 1.544 -6.865 1.767) 7.255 36.056 ( 6.679 3.461 -2.104) 7.811 36.196 ( 5.345 -2.767 -4.228) 7.356 36.277 ( -0.053 2.734 -5.503) 6.145 36.392 ( -1.753 -2.265 -4.803) 5.592 37.225 ( 12.295 6.036 6.206) 15.037 37.632 ( 14.919 -12.021 -3.544) 19.484 37.848 ( -12.067 7.198 -4.161) 14.654 38.290 ( -13.255 -11.598 -11.641) 21.112 39.756 ( 10.819 -0.141 3.996) 11.535 39.794 ( 7.856 -1.842 2.154) 8.352 40.077 ( -2.306 3.182 -2.001) 4.410 40.096 ( -3.005 1.715 -1.474) 3.761 40.321 ( 8.015 5.308 -4.045) 10.430 40.338 ( 1.252 4.889 -9.075) 10.384 40.645 ( -9.086 3.184 -11.062) 14.665 40.808 ( -9.535 -5.880 -9.604) 14.755 41.547 ( 15.301 6.980 9.781) 19.455 41.827 ( 7.721 -9.742 8.599) 15.115 42.193 ( -10.979 6.233 4.431) 13.380 42.391 ( -16.013 -3.438 10.973) 19.714 42.809 ( 2.375 8.966 2.283) 9.552 43.068 ( -7.268 8.710 -0.564) 11.358 43.174 ( 3.762 -6.411 -10.521) 12.882 43.433 ( -7.931 -6.663 -12.774) 16.446 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -0.980 -0.391 2.557) 2.766 1.726 ( 0.980 -0.391 2.557) 2.766 1.766 ( -1.320 -1.401 2.549) 3.194 1.766 ( 1.320 -1.401 2.549) 3.194 1.826 ( -1.296 3.123 2.349) 4.117 1.826 ( 1.296 3.123 2.349) 4.117 1.937 ( -2.863 -1.740 -1.049) 3.511 1.937 ( 2.863 -1.740 -1.049) 3.511 2.354 ( -6.340 0.869 2.829) 6.997 2.354 ( 6.340 0.869 2.829) 6.997 2.433 ( -5.113 -2.750 1.619) 6.027 2.433 ( 5.113 -2.750 1.619) 6.027 3.126 ( -13.031 -1.310 3.890) 13.662 3.126 ( 13.031 -1.310 3.890) 13.662 3.313 ( -17.309 -5.358 -0.090) 18.119 3.313 ( 17.309 -5.358 -0.090) 18.119 3.494 ( -18.876 11.017 2.493) 21.998 3.494 ( 18.876 11.017 2.493) 21.998 3.924 ( -10.208 0.591 5.111) 11.431 3.924 ( 10.208 0.591 5.111) 11.431 4.282 ( -13.521 -4.291 5.271) 15.133 4.282 ( 13.521 -4.291 5.271) 15.133 4.806 ( -9.483 -20.023 -7.118) 23.271 4.806 ( 9.483 -20.023 -7.118) 23.271 5.094 ( -3.944 9.892 -5.911) 12.180 5.094 ( 3.944 9.892 -5.911) 12.180 5.447 ( -2.364 -9.101 -5.423) 10.854 5.447 ( 2.364 -9.101 -5.423) 10.854 5.699 ( -17.911 15.670 3.028) 23.990 5.699 ( 17.911 15.670 3.028) 23.990 5.899 ( -13.383 1.378 6.638) 15.002 5.899 ( 13.383 1.378 6.638) 15.002 5.968 ( -4.743 4.680 5.898) 8.898 5.968 ( 4.743 4.680 5.898) 8.898 6.324 ( -8.478 3.694 6.028) 11.039 6.324 ( 8.478 3.694 6.028) 11.039 6.948 ( -17.117 6.468 6.665) 19.474 6.948 ( 17.117 6.468 6.665) 19.474 7.198 ( -11.365 -4.073 8.438) 14.730 7.198 ( 11.365 -4.073 8.438) 14.730 7.382 ( -3.320 4.226 4.568) 7.053 7.382 ( 3.320 4.226 4.568) 7.053 7.496 ( -6.277 -3.031 -2.069) 7.271 7.496 ( 6.277 -3.031 -2.069) 7.271 7.716 ( -3.641 1.884 0.875) 4.192 7.716 ( 3.641 1.884 0.875) 4.192 8.098 ( -17.430 -15.416 6.761) 24.232 8.098 ( 17.430 -15.416 6.761) 24.232 8.486 ( -8.549 7.188 -7.370) 13.382 8.486 ( 8.549 7.188 -7.370) 13.382 8.890 ( -7.920 -6.213 -11.108) 14.990 8.890 ( 7.920 -6.213 -11.108) 14.990 9.030 ( -7.038 8.813 -5.218) 12.427 9.030 ( 7.038 8.813 -5.218) 12.427 9.272 ( -2.100 10.789 -7.128) 13.100 9.272 ( 2.100 10.789 -7.128) 13.100 9.708 ( -8.092 -6.397 -11.644) 15.556 9.708 ( 8.092 -6.397 -11.644) 15.556 10.117 ( -8.468 -14.303 -15.394) 22.655 10.117 ( 8.468 -14.303 -15.394) 22.655 10.321 ( -4.707 -2.341 -9.286) 10.671 10.321 ( 4.707 -2.341 -9.286) 10.671 10.464 ( -13.293 -5.753 -6.736) 15.974 10.464 ( 13.293 -5.753 -6.736) 15.974 11.000 ( -4.659 16.269 -8.168) 18.791 11.000 ( 4.659 16.269 -8.168) 18.791 11.220 ( -1.809 -2.616 -6.190) 6.959 11.220 ( 1.809 -2.616 -6.190) 6.959 11.349 ( -5.663 -3.809 5.227) 8.597 11.349 ( 5.663 -3.809 5.227) 8.597 11.808 ( -8.658 -7.432 6.645) 13.204 11.808 ( 8.658 -7.432 6.645) 13.204 12.116 ( -4.714 -1.646 4.647) 6.821 12.116 ( 4.714 -1.646 4.647) 6.821 12.257 ( -4.279 -3.618 2.529) 6.147 12.257 ( 4.279 -3.618 2.529) 6.147 12.711 ( -7.214 13.431 7.992) 17.214 12.711 ( 7.214 13.431 7.992) 17.214 12.985 ( -7.698 -0.607 2.784) 8.209 12.985 ( 7.698 -0.607 2.784) 8.209 13.672 ( -22.412 20.171 4.615) 30.504 13.672 ( 22.412 20.171 4.615) 30.504 14.529 ( -19.263 -18.917 -0.249) 26.999 14.529 ( 19.263 -18.917 -0.249) 26.999 15.261 ( -7.561 -1.478 13.866) 15.862 15.261 ( 7.561 -1.478 13.866) 15.862 15.459 ( -18.724 -3.247 7.793) 20.539 15.459 ( 18.724 -3.247 7.793) 20.539 15.837 ( -15.779 6.418 0.664) 17.047 15.837 ( 15.779 6.418 0.664) 17.047 16.176 ( -27.992 -6.258 -4.244) 28.995 16.176 ( 27.992 -6.258 -4.244) 28.995 16.684 ( -2.809 8.658 4.056) 9.965 16.684 ( 2.809 8.658 4.056) 9.965 17.000 ( -9.801 1.412 -1.597) 10.031 17.000 ( 9.801 1.412 -1.597) 10.031 17.371 ( -6.216 0.211 -2.172) 6.588 17.371 ( 6.216 0.211 -2.172) 6.588 17.408 ( -2.821 -3.249 -0.648) 4.351 17.408 ( 2.821 -3.249 -0.648) 4.351 17.563 ( -4.123 1.581 1.184) 4.572 17.563 ( 4.123 1.581 1.184) 4.572 17.640 ( -18.353 0.684 0.178) 18.366 17.640 ( 18.353 0.684 0.178) 18.366 17.875 ( -16.561 4.718 -4.419) 17.778 17.875 ( 16.561 4.718 -4.419) 17.778 18.330 ( -7.538 -17.076 -9.737) 21.053 18.330 ( 7.538 -17.076 -9.737) 21.053 19.312 ( -2.673 16.186 0.103) 16.405 19.312 ( 2.673 16.186 0.103) 16.405 19.903 ( -1.882 -10.370 5.980) 12.118 19.903 ( 1.882 -10.370 5.980) 12.118 20.348 ( -3.508 1.402 -1.452) 4.048 20.348 ( 3.508 1.402 -1.452) 4.048 20.425 ( -1.137 -3.032 -0.458) 3.270 20.425 ( 1.137 -3.032 -0.458) 3.270 20.716 ( -2.113 4.878 -1.042) 5.418 20.716 ( 2.113 4.878 -1.042) 5.418 20.854 ( -4.637 -2.180 0.006) 5.124 20.854 ( 4.637 -2.180 0.006) 5.124 21.050 ( -1.235 2.802 -1.932) 3.620 21.050 ( 1.235 2.802 -1.932) 3.620 21.134 ( -4.952 -2.156 -4.707) 7.164 21.134 ( 4.952 -2.156 -4.707) 7.164 21.277 ( -4.443 5.592 -1.890) 7.388 21.277 ( 4.443 5.592 -1.890) 7.388 21.565 ( -6.153 -8.952 -1.672) 10.991 21.565 ( 6.153 -8.952 -1.672) 10.991 21.907 ( -5.637 9.053 2.518) 10.958 21.907 ( 5.637 9.053 2.518) 10.958 22.249 ( -5.509 -3.853 10.047) 12.089 22.249 ( 5.509 -3.853 10.047) 12.089 22.534 ( -3.255 1.696 -6.547) 7.505 22.534 ( 3.255 1.696 -6.547) 7.505 22.661 ( -4.836 -2.138 -2.630) 5.906 22.661 ( 4.836 -2.138 -2.630) 5.906 22.889 ( -6.111 0.810 0.181) 6.168 22.889 ( 6.111 0.810 0.181) 6.168 23.212 ( -3.390 -9.582 0.892) 10.203 23.212 ( 3.390 -9.582 0.892) 10.203 23.373 ( -1.635 2.220 1.831) 3.310 23.373 ( 1.635 2.220 1.831) 3.310 23.414 ( -2.587 0.376 1.303) 2.920 23.414 ( 2.587 0.376 1.303) 2.920 23.541 ( -1.525 9.643 5.669) 11.289 23.541 ( 1.525 9.643 5.669) 11.289 23.748 ( -9.098 5.879 6.270) 12.516 23.748 ( 9.098 5.879 6.270) 12.516 23.946 ( -9.011 -1.145 2.337) 9.379 23.946 ( 9.011 -1.145 2.337) 9.379 24.219 ( -5.912 -7.808 5.339) 11.155 24.219 ( 5.912 -7.808 5.339) 11.155 24.272 ( -9.052 -0.627 -0.043) 9.073 24.272 ( 9.052 -0.627 -0.043) 9.073 24.539 ( -7.935 -11.154 -5.374) 14.705 24.539 ( 7.935 -11.154 -5.374) 14.705 24.742 ( -7.158 8.048 6.252) 12.454 24.742 ( 7.158 8.048 6.252) 12.454 24.897 ( -6.776 2.353 -0.178) 7.176 24.897 ( 6.776 2.353 -0.178) 7.176 26.189 ( -5.083 9.823 -8.828) 14.151 26.189 ( 5.083 9.823 -8.828) 14.151 26.658 ( -3.394 -9.969 -10.821) 15.099 26.658 ( 3.394 -9.969 -10.821) 15.099 27.288 ( -2.691 1.341 0.786) 3.108 27.288 ( 2.691 1.341 0.786) 3.108 27.318 ( -2.806 0.727 1.684) 3.352 27.318 ( 2.806 0.727 1.684) 3.352 30.344 ( -9.122 2.815 0.554) 9.562 30.344 ( 9.122 2.815 0.554) 9.562 30.627 ( -6.385 -12.320 0.552) 13.888 30.627 ( 6.385 -12.320 0.552) 13.888 31.148 ( -1.862 9.607 2.423) 10.081 31.148 ( 1.862 9.607 2.423) 10.081 31.248 ( -2.218 8.631 2.518) 9.260 31.248 ( 2.218 8.631 2.518) 9.260 31.500 ( -2.094 -3.388 4.168) 5.765 31.500 ( 2.094 -3.388 4.168) 5.765 31.692 ( -1.643 -6.308 2.136) 6.860 31.692 ( 1.643 -6.308 2.136) 6.860 36.195 ( -6.389 2.700 -2.641) 7.422 36.195 ( 6.389 2.700 -2.641) 7.422 36.315 ( -5.310 -2.360 -2.800) 6.451 36.315 ( 5.310 -2.360 -2.800) 6.451 37.518 ( -16.145 7.674 -0.769) 17.892 37.518 ( 16.145 7.674 -0.769) 17.892 37.993 ( -16.492 -13.067 -8.927) 22.857 37.993 ( 16.492 -13.067 -8.927) 22.857 39.934 ( -3.561 1.304 2.355) 4.464 39.934 ( 3.561 1.304 2.355) 4.464 39.977 ( -4.735 0.563 3.028) 5.648 39.977 ( 4.735 0.563 3.028) 5.648 40.442 ( -6.547 3.780 -11.302) 13.597 40.442 ( 6.547 3.780 -11.302) 13.597 40.586 ( -11.466 -0.442 -10.132) 15.308 40.586 ( 11.466 -0.442 -10.132) 15.308 41.834 ( -11.516 4.763 9.448) 15.638 41.834 ( 11.516 4.763 9.448) 15.638 42.123 ( -8.902 -6.597 10.495) 15.261 42.123 ( 8.902 -6.597 10.495) 15.261 42.914 ( -7.541 9.446 -0.846) 12.117 42.914 ( 7.541 9.446 -0.846) 12.117 43.280 ( -7.013 -6.407 -11.065) 14.583 43.280 ( 7.013 -6.407 -11.065) 14.583 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 -8.699 7.073) 11.212 1.534 ( 0.000 8.699 7.073) 11.212 1.595 ( 0.000 -11.052 10.532) 15.266 1.595 ( 0.000 11.052 10.532) 15.266 1.842 ( 0.000 -0.148 -0.074) 0.166 1.842 ( 0.000 0.148 -0.074) 0.166 2.037 ( 0.000 -2.049 0.466) 2.101 2.037 ( 0.000 2.049 0.466) 2.101 2.176 ( 0.000 -2.492 4.529) 5.169 2.176 ( 0.000 2.492 4.529) 5.169 2.241 ( 0.000 -0.682 4.018) 4.076 2.241 ( 0.000 0.682 4.018) 4.076 2.811 ( 0.000 -0.565 1.991) 2.070 2.811 ( 0.000 0.565 1.991) 2.070 2.943 ( 0.000 -6.108 3.146) 6.870 2.943 ( 0.000 6.108 3.146) 6.870 3.350 ( 0.000 -11.502 26.019) 28.448 3.350 ( 0.000 11.502 26.019) 28.448 3.786 ( 0.000 -2.141 13.676) 13.843 3.786 ( 0.000 2.141 13.676) 13.843 4.391 ( 0.000 -10.306 1.917) 10.483 4.391 ( 0.000 10.306 1.917) 10.483 4.667 ( 0.000 -2.170 2.261) 3.134 4.667 ( 0.000 2.170 2.261) 3.134 5.151 ( 0.000 -3.402 3.031) 4.556 5.151 ( 0.000 3.402 3.031) 4.556 5.524 ( 0.000 -12.779 -3.691) 13.301 5.524 ( 0.000 12.779 -3.691) 13.301 5.659 ( 0.000 -18.253 -3.211) 18.534 5.659 ( 0.000 18.253 -3.211) 18.534 6.166 ( 0.000 -5.374 1.993) 5.731 6.166 ( 0.000 5.374 1.993) 5.731 6.349 ( 0.000 -7.458 -10.050) 12.516 6.349 ( 0.000 7.458 -10.050) 12.516 6.482 ( 0.000 -17.069 -11.950) 20.836 6.482 ( 0.000 17.069 -11.950) 20.836 6.856 ( 0.000 -5.715 -7.042) 9.069 6.856 ( 0.000 5.715 -7.042) 9.069 6.954 ( 0.000 -3.971 0.413) 3.992 6.954 ( 0.000 3.971 0.413) 3.992 7.242 ( 0.000 -7.972 5.753) 9.831 7.242 ( 0.000 7.972 5.753) 9.831 7.357 ( 0.000 -3.143 7.299) 7.947 7.357 ( 0.000 3.143 7.299) 7.947 7.488 ( 0.000 -7.346 1.452) 7.488 7.488 ( 0.000 7.346 1.452) 7.488 7.942 ( 0.000 -5.154 0.029) 5.154 7.942 ( 0.000 5.154 0.029) 5.154 8.673 ( 0.000 -14.010 -8.639) 16.459 8.673 ( 0.000 14.010 -8.639) 16.459 8.741 ( 0.000 -13.416 0.188) 13.418 8.741 ( 0.000 13.416 0.188) 13.418 9.283 ( 0.000 -1.366 -11.331) 11.413 9.283 ( 0.000 1.366 -11.331) 11.413 9.481 ( 0.000 -0.991 -1.406) 1.720 9.481 ( 0.000 0.991 -1.406) 1.720 9.722 ( 0.000 -4.213 3.141) 5.255 9.722 ( 0.000 4.213 3.141) 5.255 9.959 ( 0.000 -5.352 -18.336) 19.101 9.959 ( 0.000 5.352 -18.336) 19.101 10.123 ( 0.000 -10.715 -8.353) 13.586 10.123 ( 0.000 10.715 -8.353) 13.586 10.537 ( 0.000 -7.200 -13.794) 15.560 10.537 ( 0.000 7.200 -13.794) 15.560 11.034 ( 0.000 -3.148 -6.314) 7.055 11.034 ( 0.000 3.148 -6.314) 7.055 11.302 ( 0.000 -5.858 -5.263) 7.875 11.302 ( 0.000 5.858 -5.263) 7.875 11.379 ( 0.000 -2.977 -7.154) 7.748 11.379 ( 0.000 2.977 -7.154) 7.748 11.811 ( 0.000 -1.058 4.269) 4.398 11.811 ( 0.000 1.058 4.269) 4.398 12.037 ( 0.000 -3.762 10.627) 11.273 12.037 ( 0.000 3.762 10.627) 11.273 12.631 ( 0.000 -3.169 8.589) 9.155 12.631 ( 0.000 3.169 8.589) 9.155 12.764 ( 0.000 -2.777 9.265) 9.672 12.764 ( 0.000 2.777 9.265) 9.672 13.183 ( 0.000 -20.126 16.997) 26.343 13.183 ( 0.000 20.126 16.997) 26.343 13.746 ( 0.000 -2.599 -2.937) 3.922 13.746 ( 0.000 2.599 -2.937) 3.922 14.440 ( 0.000 -5.280 -4.093) 6.681 14.440 ( 0.000 5.280 -4.093) 6.681 14.792 ( 0.000 -15.502 10.382) 18.658 14.792 ( 0.000 15.502 10.382) 18.658 15.070 ( 0.000 -9.051 7.726) 11.900 15.070 ( 0.000 9.051 7.726) 11.900 15.558 ( 0.000 -4.317 5.096) 6.679 15.558 ( 0.000 4.317 5.096) 6.679 16.530 ( 0.000 -8.331 -2.825) 8.797 16.530 ( 0.000 8.331 -2.825) 8.797 16.753 ( 0.000 -0.169 -2.120) 2.127 16.753 ( 0.000 0.169 -2.120) 2.127 16.929 ( 0.000 -4.655 2.505) 5.286 16.929 ( 0.000 4.655 2.505) 5.286 17.278 ( 0.000 -4.425 -6.849) 8.154 17.278 ( 0.000 4.425 -6.849) 8.154 17.469 ( 0.000 -3.532 -2.696) 4.443 17.469 ( 0.000 3.532 -2.696) 4.443 17.701 ( 0.000 -9.006 -0.440) 9.017 17.701 ( 0.000 9.006 -0.440) 9.017 18.232 ( 0.000 -12.239 1.869) 12.381 18.232 ( 0.000 12.239 1.869) 12.381 18.335 ( 0.000 -3.664 2.666) 4.531 18.335 ( 0.000 3.664 2.666) 4.531 18.629 ( 0.000 -7.134 -0.346) 7.142 18.629 ( 0.000 7.134 -0.346) 7.142 19.200 ( 0.000 -7.926 -4.609) 9.169 19.200 ( 0.000 7.926 -4.609) 9.169 19.735 ( 0.000 -18.658 10.652) 21.485 19.735 ( 0.000 18.658 10.652) 21.485 20.290 ( 0.000 -6.586 0.129) 6.588 20.290 ( 0.000 6.586 0.129) 6.588 20.353 ( 0.000 -2.900 1.028) 3.077 20.353 ( 0.000 2.900 1.028) 3.077 20.526 ( 0.000 -5.311 -3.478) 6.348 20.526 ( 0.000 5.311 -3.478) 6.348 20.725 ( 0.000 -2.090 -8.385) 8.641 20.725 ( 0.000 2.090 -8.385) 8.641 20.913 ( 0.000 -0.121 -1.284) 1.290 20.913 ( 0.000 0.121 -1.284) 1.290 21.140 ( 0.000 -6.721 -2.448) 7.153 21.140 ( 0.000 6.721 -2.448) 7.153 21.238 ( 0.000 -5.441 -7.127) 8.967 21.238 ( 0.000 5.441 -7.127) 8.967 21.516 ( 0.000 -5.191 -0.507) 5.215 21.516 ( 0.000 5.191 -0.507) 5.215 21.769 ( 0.000 -2.594 -3.721) 4.536 21.769 ( 0.000 2.594 -3.721) 4.536 22.119 ( 0.000 -12.064 0.508) 12.074 22.119 ( 0.000 12.064 0.508) 12.074 22.476 ( 0.000 -11.193 3.862) 11.841 22.476 ( 0.000 11.193 3.862) 11.841 22.660 ( 0.000 -7.514 -6.587) 9.992 22.660 ( 0.000 7.514 -6.587) 9.992 22.946 ( 0.000 -6.794 1.883) 7.050 22.946 ( 0.000 6.794 1.883) 7.050 23.042 ( 0.000 -1.723 1.529) 2.304 23.042 ( 0.000 1.723 1.529) 2.304 23.215 ( 0.000 -2.975 6.441) 7.095 23.215 ( 0.000 2.975 6.441) 7.095 23.436 ( 0.000 -0.817 1.243) 1.488 23.436 ( 0.000 0.817 1.243) 1.488 23.506 ( 0.000 -5.516 2.468) 6.043 23.506 ( 0.000 5.516 2.468) 6.043 23.759 ( 0.000 -11.541 -8.843) 14.540 23.759 ( 0.000 11.541 -8.843) 14.540 23.965 ( 0.000 -2.413 4.019) 4.688 23.965 ( 0.000 2.413 4.019) 4.688 24.256 ( 0.000 -2.820 -0.308) 2.837 24.256 ( 0.000 2.820 -0.308) 2.837 24.437 ( 0.000 -5.623 7.733) 9.561 24.437 ( 0.000 5.623 7.733) 9.561 24.681 ( 0.000 -5.078 1.012) 5.178 24.681 ( 0.000 5.078 1.012) 5.178 25.168 ( 0.000 -0.009 -1.815) 1.815 25.168 ( 0.000 0.009 -1.815) 1.815 25.792 ( 0.000 -13.624 5.290) 14.615 25.792 ( 0.000 13.624 5.290) 14.615 25.914 ( 0.000 -0.751 -1.938) 2.078 25.914 ( 0.000 0.751 -1.938) 2.078 26.257 ( 0.000 -4.534 -4.053) 6.081 26.257 ( 0.000 4.534 -4.053) 6.081 27.085 ( 0.000 -3.447 3.024) 4.586 27.085 ( 0.000 3.447 3.024) 4.586 27.313 ( 0.000 -4.601 3.037) 5.513 27.313 ( 0.000 4.601 3.037) 5.513 30.003 ( 0.000 -6.447 3.698) 7.432 30.003 ( 0.000 6.447 3.698) 7.432 31.050 ( 0.000 -2.282 1.917) 2.980 31.050 ( 0.000 2.282 1.917) 2.980 31.089 ( 0.000 -1.430 3.838) 4.096 31.089 ( 0.000 1.430 3.838) 4.096 31.286 ( 0.000 -0.456 0.081) 0.463 31.286 ( 0.000 0.456 0.081) 0.463 31.368 ( 0.000 -10.308 -0.216) 10.311 31.368 ( 0.000 10.308 -0.216) 10.311 31.507 ( 0.000 -3.349 1.302) 3.593 31.507 ( 0.000 3.349 1.302) 3.593 36.034 ( 0.000 -0.876 -7.517) 7.568 36.034 ( 0.000 0.876 -7.517) 7.568 36.212 ( 0.000 -4.208 -8.084) 9.114 36.212 ( 0.000 4.208 -8.084) 9.114 37.107 ( 0.000 -5.535 14.362) 15.392 37.107 ( 0.000 5.535 14.362) 15.392 38.370 ( 0.000 -11.906 -9.076) 14.971 38.370 ( 0.000 11.906 -9.076) 14.971 39.494 ( 0.000 -1.781 3.312) 3.761 39.494 ( 0.000 1.781 3.312) 3.761 40.084 ( 0.000 -3.461 -12.516) 12.986 40.084 ( 0.000 3.461 -12.516) 12.986 40.418 ( 0.000 -6.488 2.819) 7.074 40.418 ( 0.000 6.488 2.819) 7.074 40.985 ( 0.000 -10.704 -8.836) 13.880 40.985 ( 0.000 10.704 -8.836) 13.880 41.288 ( 0.000 -12.154 7.501) 14.282 41.288 ( 0.000 12.154 7.501) 14.282 42.787 ( 0.000 -10.542 -3.447) 11.091 42.787 ( 0.000 10.542 -3.447) 11.091 42.941 ( 0.000 -7.998 2.567) 8.400 42.941 ( 0.000 7.998 2.567) 8.400 43.425 ( 0.000 -11.359 -12.529) 16.912 43.425 ( 0.000 11.359 -12.529) 16.912 ======================= Grid point 86 (34/60) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 2.568 -1.327 4.496) 5.345 1.565 ( 2.568 1.327 4.496) 5.345 1.695 ( 6.611 -10.067 7.635) 14.260 1.695 ( 6.611 10.067 7.635) 14.260 1.844 ( 0.126 -0.879 0.210) 0.913 1.844 ( 0.126 0.879 0.210) 0.913 2.020 ( -2.298 -0.967 0.203) 2.501 2.020 ( -2.298 0.967 0.203) 2.501 2.204 ( -0.425 -5.450 8.345) 9.977 2.204 ( -0.425 5.450 8.345) 9.977 2.291 ( 9.014 -8.929 4.979) 13.630 2.291 ( 9.014 8.929 4.979) 13.630 2.696 ( -1.160 -9.117 8.376) 12.435 2.696 ( -1.160 9.117 8.376) 12.435 2.874 ( 2.026 -2.780 2.959) 4.538 2.874 ( 2.026 2.780 2.959) 4.538 3.587 ( 8.388 -18.000 7.514) 21.233 3.587 ( 8.388 18.000 7.514) 21.233 4.133 ( 20.262 -5.727 10.130) 23.366 4.133 ( 20.262 5.727 10.130) 23.366 4.368 ( 4.894 -9.592 8.719) 13.856 4.368 ( 4.894 9.592 8.719) 13.856 4.648 ( 0.294 -2.540 1.840) 3.151 4.648 ( 0.294 2.540 1.840) 3.151 5.086 ( -7.216 -3.236 0.376) 7.917 5.086 ( -7.216 3.236 0.376) 7.917 5.450 ( -4.891 -11.587 -3.028) 12.937 5.450 ( -4.891 11.587 -3.028) 12.937 5.698 ( -0.952 -14.004 -6.145) 15.323 5.698 ( -0.952 14.004 -6.145) 15.323 5.831 ( -17.548 -1.690 -11.351) 20.968 5.831 ( -17.548 1.690 -11.351) 20.968 6.361 ( -0.502 -9.036 5.017) 10.348 6.361 ( -0.502 9.036 5.017) 10.348 6.521 ( -1.025 -7.338 -0.771) 7.449 6.521 ( -1.025 7.338 -0.771) 7.449 6.795 ( 2.839 -13.010 -2.832) 13.614 6.795 ( 2.839 13.010 -2.832) 13.614 7.020 ( -11.831 -12.171 11.637) 20.580 7.020 ( -11.831 12.171 11.637) 20.580 7.200 ( 7.451 -8.134 -0.344) 11.036 7.200 ( 7.451 8.134 -0.344) 11.036 7.362 ( 6.746 -4.396 4.368) 9.161 7.362 ( 6.746 4.396 4.368) 9.161 7.789 ( 15.593 -1.888 -1.657) 15.794 7.789 ( 15.593 1.888 -1.657) 15.794 8.019 ( 9.093 -5.785 -6.268) 12.467 8.019 ( 9.093 5.785 -6.268) 12.467 8.570 ( -8.970 -16.119 -5.762) 19.326 8.570 ( -8.970 16.119 -5.762) 19.326 8.822 ( 4.043 -8.175 2.748) 9.525 8.822 ( 4.043 8.175 2.748) 9.525 9.242 ( -4.292 -5.135 -13.415) 14.991 9.242 ( -4.292 5.135 -13.415) 14.991 9.362 ( -7.070 -9.308 -5.134) 12.767 9.362 ( -7.070 9.308 -5.134) 12.767 9.682 ( -2.517 -4.864 -0.259) 5.483 9.682 ( -2.517 4.864 -0.259) 5.483 9.957 ( -1.646 -11.961 -14.305) 18.720 9.957 ( -1.646 11.961 -14.305) 18.720 10.086 ( -2.283 -11.877 -9.462) 15.355 10.086 ( -2.283 11.877 -9.462) 15.355 10.590 ( 4.534 -6.011 -13.619) 15.562 10.590 ( 4.534 6.011 -13.619) 15.562 11.070 ( 2.540 -1.558 -6.111) 6.798 11.070 ( 2.540 1.558 -6.111) 6.798 11.213 ( -2.673 -12.085 -1.366) 12.452 11.213 ( -2.673 12.085 -1.366) 12.452 11.442 ( -0.187 -7.691 -6.348) 9.975 11.442 ( -0.187 7.691 -6.348) 9.975 11.752 ( -3.290 -3.395 6.969) 8.421 11.752 ( -3.290 3.395 6.969) 8.421 12.122 ( 3.898 -0.886 5.226) 6.579 12.122 ( 3.898 0.886 5.226) 6.579 12.557 ( -8.431 -1.760 5.577) 10.260 12.557 ( -8.431 1.760 5.577) 10.260 12.780 ( 3.554 -5.002 9.039) 10.925 12.780 ( 3.554 5.002 9.039) 10.925 13.192 ( -1.063 -19.511 13.225) 23.595 13.192 ( -1.063 19.511 13.225) 23.595 13.606 ( -7.282 -7.207 0.426) 10.254 13.606 ( -7.282 7.207 0.426) 10.254 14.506 ( 3.004 -9.592 0.791) 10.083 14.506 ( 3.004 9.592 0.791) 10.083 14.871 ( 7.109 -10.821 8.517) 15.497 14.871 ( 7.109 10.821 8.517) 15.497 15.128 ( 7.660 -10.492 7.699) 15.101 15.128 ( 7.660 10.492 7.699) 15.101 15.573 ( 1.538 -13.258 3.135) 13.710 15.573 ( 1.538 13.258 3.135) 13.710 16.531 ( -1.845 -16.302 -1.848) 16.509 16.531 ( -1.845 16.302 -1.848) 16.509 16.814 ( 7.044 -2.365 -3.924) 8.403 16.814 ( 7.044 2.365 -3.924) 8.403 17.037 ( 7.409 -2.559 -1.585) 7.997 17.037 ( 7.409 2.559 -1.585) 7.997 17.189 ( -7.243 -7.740 -2.922) 10.996 17.189 ( -7.243 7.740 -2.922) 10.996 17.440 ( -0.547 -5.708 -1.032) 5.826 17.440 ( -0.547 5.708 -1.032) 5.826 17.645 ( -8.473 -5.172 1.447) 10.032 17.645 ( -8.473 5.172 1.447) 10.032 17.981 ( -14.690 -7.546 -0.509) 16.523 17.981 ( -14.690 7.546 -0.509) 16.523 18.219 ( -10.302 -8.076 1.666) 13.196 18.219 ( -10.302 8.076 1.666) 13.196 18.648 ( -9.029 -6.967 -2.908) 11.769 18.648 ( -9.029 6.967 -2.908) 11.769 19.254 ( 9.910 -4.023 -1.139) 10.756 19.254 ( 9.910 4.023 -1.139) 10.756 19.712 ( -1.888 -11.150 9.712) 14.907 19.712 ( -1.888 11.150 9.712) 14.907 20.304 ( 2.016 -5.688 -1.430) 6.202 20.304 ( 2.016 5.688 -1.430) 6.202 20.385 ( 1.228 -2.581 0.974) 3.020 20.385 ( 1.228 2.581 0.974) 3.020 20.564 ( 4.027 -1.828 -2.589) 5.125 20.564 ( 4.027 1.828 -2.589) 5.125 20.802 ( 6.489 -0.905 -7.779) 10.171 20.802 ( 6.489 0.905 -7.779) 10.171 20.946 ( 2.989 -1.405 -1.580) 3.661 20.946 ( 2.989 1.405 -1.580) 3.661 21.135 ( -1.220 -1.276 -5.561) 5.834 21.135 ( -1.220 1.276 -5.561) 5.834 21.268 ( 3.211 -1.039 -0.934) 3.502 21.268 ( 3.211 1.039 -0.934) 3.502 21.533 ( -1.121 -3.900 -3.167) 5.148 21.533 ( -1.121 3.900 -3.167) 5.148 21.827 ( 7.036 -2.324 -3.964) 8.403 21.827 ( 7.036 2.324 -3.964) 8.403 22.118 ( 0.703 -10.938 3.050) 11.377 22.118 ( 0.703 10.938 3.050) 11.377 22.526 ( 4.151 -10.501 2.745) 11.621 22.526 ( 4.151 10.501 2.745) 11.621 22.624 ( -2.629 -6.933 -4.749) 8.805 22.624 ( -2.629 6.933 -4.749) 8.805 22.913 ( -3.297 -3.378 1.189) 4.868 22.913 ( -3.297 3.378 1.189) 4.868 23.045 ( 0.825 -1.527 2.070) 2.701 23.045 ( 0.825 1.527 2.070) 2.701 23.268 ( 5.576 -5.006 6.129) 9.681 23.268 ( 5.576 5.006 6.129) 9.681 23.487 ( 0.192 -0.791 1.637) 1.829 23.487 ( 0.192 0.791 1.637) 1.829 23.519 ( 4.389 -0.198 3.558) 5.653 23.519 ( 4.389 0.198 3.558) 5.653 23.758 ( -0.526 -10.929 -6.477) 12.715 23.758 ( -0.526 10.929 -6.477) 12.715 23.983 ( 2.942 -5.087 1.215) 6.001 23.983 ( 2.942 5.087 1.215) 6.001 24.224 ( -3.481 -3.432 1.373) 5.078 24.224 ( -3.481 3.432 1.373) 5.078 24.367 ( -6.888 -3.962 6.590) 10.323 24.367 ( -6.888 3.962 6.590) 10.323 24.683 ( 0.499 -2.987 -0.628) 3.093 24.683 ( 0.499 2.987 -0.628) 3.093 25.034 ( -14.707 -3.469 -0.918) 15.138 25.034 ( -14.707 3.469 -0.918) 15.138 25.349 ( -21.522 -5.567 9.276) 24.088 25.349 ( -21.522 5.567 9.276) 24.088 26.174 ( 9.320 -13.801 -7.478) 18.255 26.174 ( 9.320 13.801 -7.478) 18.255 26.368 ( 8.008 -1.880 -4.856) 9.552 26.368 ( 8.008 1.880 -4.856) 9.552 27.121 ( 3.513 -3.052 2.399) 5.236 27.121 ( 3.513 3.052 2.399) 5.236 27.342 ( 2.216 -3.437 2.141) 4.616 27.342 ( 2.216 3.437 2.141) 4.616 30.067 ( 6.189 -6.358 3.070) 9.389 30.067 ( 6.189 6.358 3.070) 9.389 30.878 ( -10.747 -1.128 0.129) 10.807 30.878 ( -10.747 1.128 0.129) 10.807 31.157 ( 2.669 -4.338 4.944) 7.099 31.157 ( 2.669 4.338 4.944) 7.099 31.358 ( 3.034 -9.872 1.108) 10.387 31.358 ( 3.034 9.872 1.108) 10.387 31.398 ( 4.342 -5.409 0.958) 7.002 31.398 ( 4.342 5.409 0.958) 7.002 31.510 ( 0.465 -6.147 0.891) 6.229 31.510 ( 0.465 6.147 0.891) 6.229 36.045 ( 2.247 -3.573 -5.564) 6.984 36.045 ( 2.247 3.573 -5.564) 6.984 36.290 ( 5.294 -4.305 -8.604) 10.981 36.290 ( 5.294 4.305 -8.604) 10.981 37.170 ( 7.022 -7.635 11.304) 15.342 37.170 ( 7.022 7.635 11.304) 15.342 38.281 ( -8.799 -12.314 -8.501) 17.359 38.281 ( -8.799 12.314 -8.501) 17.359 39.577 ( 7.833 -1.784 3.517) 8.769 39.577 ( 7.833 1.784 3.517) 8.769 40.111 ( 2.276 -2.255 -10.699) 11.168 40.111 ( 2.276 2.255 -10.699) 11.168 40.393 ( -2.101 -4.838 0.888) 5.349 40.393 ( -2.101 4.838 0.888) 5.349 40.874 ( -8.330 -6.244 -9.518) 14.105 40.874 ( -8.330 6.244 -9.518) 14.105 41.428 ( 11.302 -9.641 8.227) 16.982 41.428 ( 11.302 9.641 8.227) 16.982 42.627 ( -14.271 -7.486 3.104) 16.412 42.627 ( -14.271 7.486 3.104) 16.412 42.959 ( 1.416 -9.583 -2.731) 10.064 42.959 ( 1.416 9.583 -2.731) 10.064 43.383 ( -4.326 -11.258 -10.531) 16.011 43.383 ( -4.326 11.258 -10.531) 16.011 ======================= Grid point 88 (35/60) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 5.169 -0.201 3.524) 6.259 1.641 ( 5.169 0.201 3.524) 6.259 1.768 ( 0.796 -2.837 3.007) 4.211 1.768 ( 0.796 2.837 3.007) 4.211 1.852 ( 1.062 -1.674 0.491) 2.042 1.852 ( 1.062 1.674 0.491) 2.042 1.955 ( -3.801 -3.282 0.712) 5.072 1.955 ( -3.801 3.282 0.712) 5.072 2.248 ( 5.936 -4.735 5.693) 9.490 2.248 ( 5.936 4.735 5.693) 9.490 2.432 ( 2.183 -3.784 2.665) 5.117 2.432 ( 2.183 3.784 2.665) 5.117 2.846 ( 12.262 -1.699 3.913) 12.983 2.846 ( 12.262 1.699 3.913) 12.983 3.102 ( 20.995 -9.659 5.191) 23.686 3.102 ( 20.995 9.659 5.191) 23.686 3.651 ( -3.626 -13.524 3.075) 14.336 3.651 ( -3.626 13.524 3.075) 14.336 4.085 ( -9.954 -17.654 5.768) 21.072 4.085 ( -9.954 17.654 5.768) 21.072 4.361 ( -7.894 -3.375 -1.774) 8.767 4.361 ( -7.894 3.375 -1.774) 8.767 4.760 ( -15.140 -7.793 -4.412) 17.590 4.760 ( -15.140 7.793 -4.412) 17.590 5.082 ( 17.225 -9.231 2.901) 19.757 5.082 ( 17.225 9.231 2.901) 19.757 5.421 ( -6.846 -12.483 -11.556) 18.337 5.421 ( -6.846 12.483 -11.556) 18.337 5.507 ( 8.829 -4.631 3.430) 10.544 5.507 ( 8.829 4.631 3.430) 10.544 5.896 ( 10.411 -3.795 2.034) 11.266 5.896 ( 10.411 3.795 2.034) 11.266 6.253 ( -10.938 -4.623 5.372) 13.033 6.253 ( -10.938 4.623 5.372) 13.033 6.463 ( -9.943 -8.254 10.846) 16.871 6.463 ( -9.943 8.254 10.846) 16.871 6.771 ( 9.488 -7.518 10.347) 15.925 6.771 ( 9.488 7.518 10.347) 15.925 7.086 ( 8.225 -12.841 -0.311) 15.253 7.086 ( 8.225 12.841 -0.311) 15.253 7.303 ( 4.109 -3.570 1.266) 5.589 7.303 ( 4.109 3.570 1.266) 5.589 7.502 ( 9.520 -9.709 4.040) 14.185 7.502 ( 9.520 9.709 4.040) 14.185 7.825 ( -11.108 -1.466 2.545) 11.490 7.825 ( -11.108 1.466 2.545) 11.490 8.187 ( -11.373 -9.832 -2.588) 15.254 8.187 ( -11.373 9.832 -2.588) 15.254 8.431 ( 9.730 -10.742 -8.594) 16.850 8.431 ( 9.730 10.742 -8.594) 16.850 8.811 ( -4.991 -11.617 -9.376) 15.741 8.811 ( -4.991 11.617 -9.376) 15.741 9.209 ( 3.467 -14.313 -3.794) 15.208 9.209 ( 3.467 14.313 -3.794) 15.208 9.317 ( -0.251 -6.577 -8.876) 11.050 9.317 ( -0.251 6.577 -8.876) 11.050 9.686 ( 3.693 -1.983 -6.260) 7.534 9.686 ( 3.693 1.983 -6.260) 7.534 9.878 ( -5.291 -18.574 -12.366) 22.933 9.878 ( -5.291 18.574 -12.366) 22.933 10.113 ( 6.086 -9.095 -8.940) 14.131 10.113 ( 6.086 9.095 -8.940) 14.131 10.603 ( -6.334 -4.604 -13.447) 15.561 10.603 ( -6.334 4.604 -13.447) 15.561 11.114 ( 3.343 -1.816 1.604) 4.129 11.114 ( 3.343 1.816 1.604) 4.129 11.223 ( 1.268 -6.225 -7.866) 10.111 11.223 ( 1.268 6.225 -7.866) 10.111 11.399 ( -1.116 -11.015 -2.872) 11.438 11.399 ( -1.116 11.015 -2.872) 11.438 11.672 ( -6.366 -8.410 6.593) 12.439 11.672 ( -6.366 8.410 6.593) 12.439 12.142 ( 0.018 -3.160 5.876) 6.672 12.142 ( 0.018 3.160 5.876) 6.672 12.326 ( -11.688 -0.689 3.993) 12.370 12.326 ( -11.688 0.689 3.993) 12.370 12.847 ( 1.580 -3.731 7.757) 8.752 12.847 ( 1.580 3.731 7.757) 8.752 13.101 ( -8.139 -5.489 3.408) 10.392 13.101 ( -8.139 5.489 3.408) 10.392 13.696 ( 16.889 -13.144 1.603) 21.461 13.696 ( 16.889 13.144 1.603) 21.461 14.431 ( -11.305 -15.271 5.565) 19.798 14.431 ( -11.305 15.271 5.565) 19.798 15.056 ( 12.361 -0.755 12.335) 17.479 15.056 ( 12.361 0.755 12.335) 17.479 15.417 ( 16.208 -6.946 3.505) 17.978 15.417 ( 16.208 6.946 3.505) 17.978 15.590 ( 2.799 -10.351 3.067) 11.153 15.590 ( 2.799 10.351 3.067) 11.153 16.411 ( -12.332 -16.003 -3.279) 20.467 16.411 ( -12.332 16.003 -3.279) 20.467 16.898 ( -7.052 -4.039 0.229) 8.130 16.898 ( -7.052 4.039 0.229) 8.130 17.000 ( 3.535 -8.676 -0.362) 9.375 17.000 ( 3.535 8.676 -0.362) 9.375 17.246 ( 4.541 -2.150 -4.214) 6.557 17.246 ( 4.541 2.150 -4.214) 6.557 17.420 ( -5.189 -4.034 0.800) 6.621 17.420 ( -5.189 4.034 0.800) 6.621 17.501 ( 3.286 -3.147 -1.138) 4.690 17.501 ( 3.286 3.147 -1.138) 4.690 17.813 ( -3.498 -0.943 -0.183) 3.628 17.813 ( -3.498 0.943 -0.183) 3.628 17.972 ( -12.517 -8.633 1.600) 15.289 17.972 ( -12.517 8.633 1.600) 15.289 18.348 ( -17.507 -4.994 -7.749) 19.786 18.348 ( -17.507 4.994 -7.749) 19.786 19.487 ( 10.738 -3.169 1.732) 11.329 19.487 ( 10.738 3.169 1.732) 11.329 19.687 ( -0.991 -4.406 4.919) 6.678 19.687 ( -0.991 4.406 4.919) 6.678 20.343 ( 1.901 -4.289 -0.898) 4.777 20.343 ( 1.901 4.289 -0.898) 4.777 20.395 ( -0.105 -0.716 -0.421) 0.837 20.395 ( -0.105 0.716 -0.421) 0.837 20.668 ( 6.235 -2.071 -0.655) 6.602 20.668 ( 6.235 2.071 -0.655) 6.602 20.893 ( -0.472 -2.659 -5.283) 5.933 20.893 ( -0.472 2.659 -5.283) 5.933 21.003 ( 3.752 -1.288 -2.582) 4.733 21.003 ( 3.752 1.288 -2.582) 4.733 21.123 ( 0.768 -3.222 -4.473) 5.566 21.123 ( 0.768 3.222 -4.473) 5.566 21.328 ( 2.517 -2.952 -0.747) 3.950 21.328 ( 2.517 2.952 -0.747) 3.950 21.489 ( -2.891 -6.347 -3.828) 7.955 21.489 ( -2.891 6.347 -3.828) 7.955 21.960 ( 6.222 -7.623 3.802) 10.549 21.960 ( 6.222 7.623 3.802) 10.549 22.162 ( 1.481 -7.638 5.005) 9.251 22.162 ( 1.481 7.638 5.005) 9.251 22.570 ( -0.723 -4.370 -5.336) 6.935 22.570 ( -0.723 4.370 -5.336) 6.935 22.609 ( 1.567 -5.671 -0.740) 5.930 22.609 ( 1.567 5.671 -0.740) 5.930 22.889 ( 2.839 -1.795 0.528) 3.400 22.889 ( 2.839 1.795 0.528) 3.400 23.072 ( 0.893 -2.506 2.601) 3.721 23.072 ( 0.893 2.506 2.601) 3.721 23.377 ( 3.833 -2.696 4.089) 6.219 23.377 ( 3.833 2.696 4.089) 6.219 23.444 ( -3.225 -1.352 2.449) 4.269 23.444 ( -3.225 1.352 2.449) 4.269 23.630 ( 5.683 -1.472 4.818) 7.594 23.630 ( 5.683 1.472 4.818) 7.594 23.736 ( -0.842 -8.878 1.064) 8.981 23.736 ( -0.842 8.878 1.064) 8.981 24.083 ( 0.799 -2.171 -1.015) 2.526 24.083 ( 0.799 2.171 -1.015) 2.526 24.143 ( 1.319 -6.710 0.495) 6.856 24.143 ( 1.319 6.710 0.495) 6.856 24.194 ( -9.116 -1.043 6.293) 11.126 24.194 ( -9.116 1.043 6.293) 11.126 24.621 ( -14.512 -3.418 -3.676) 15.355 24.621 ( -14.512 3.418 -3.676) 15.355 24.766 ( 0.334 -4.726 2.305) 5.268 24.766 ( 0.334 4.726 2.305) 5.268 25.060 ( -10.901 -3.214 6.909) 13.300 25.060 ( -10.901 3.214 6.909) 13.300 26.322 ( 6.379 -10.921 -9.352) 15.729 26.322 ( 6.379 10.921 -9.352) 15.729 26.457 ( 0.833 -6.078 -9.163) 11.027 26.457 ( 0.833 6.078 -9.163) 11.027 27.213 ( 5.492 -1.574 1.851) 6.006 27.213 ( 5.492 1.574 1.851) 6.006 27.365 ( -0.530 -1.735 1.057) 2.099 27.365 ( -0.530 1.735 1.057) 2.099 30.228 ( 9.867 -6.182 1.660) 11.762 30.228 ( 9.867 6.182 1.660) 11.762 30.661 ( -11.318 -3.370 -0.582) 11.823 30.661 ( -11.318 3.370 -0.582) 11.823 31.217 ( 3.698 -4.222 4.845) 7.415 31.217 ( 3.698 4.222 4.845) 7.415 31.360 ( -1.940 -9.213 2.819) 9.828 31.360 ( -1.940 9.213 2.819) 9.828 31.495 ( 3.856 -5.370 2.140) 6.949 31.495 ( 3.856 5.370 2.140) 6.949 31.529 ( 1.234 -7.352 1.039) 7.527 31.529 ( 1.234 7.352 1.039) 7.527 36.131 ( 6.041 -4.009 -3.478) 8.041 36.131 ( 6.041 4.009 -3.478) 8.041 36.337 ( -1.234 -3.347 -5.384) 6.458 36.337 ( -1.234 3.347 -5.384) 6.458 37.393 ( 15.236 -11.572 3.005) 19.367 37.393 ( 15.236 11.572 3.005) 19.367 38.046 ( -14.726 -12.870 -6.897) 20.738 38.046 ( -14.726 12.870 -6.897) 20.738 39.764 ( 10.488 -1.066 3.841) 11.220 39.764 ( 10.488 1.066 3.841) 11.220 40.113 ( -4.065 -0.211 -0.930) 4.175 40.113 ( -4.065 0.211 -0.930) 4.175 40.393 ( 3.982 -0.710 -8.914) 9.789 40.393 ( 3.982 0.710 -8.914) 9.789 40.706 ( -8.745 -4.059 -11.409) 14.937 40.706 ( -8.745 4.059 -11.409) 14.937 41.677 ( 13.910 -6.717 10.450) 18.650 41.677 ( 13.910 6.717 10.450) 18.650 42.302 ( -17.565 -5.609 8.714) 20.394 42.302 ( -17.565 5.609 8.714) 20.394 43.007 ( 3.838 -10.658 -5.897) 12.771 43.007 ( 3.838 10.658 -5.897) 12.771 43.263 ( -7.502 -10.689 -8.162) 15.399 43.263 ( -7.502 10.689 -8.162) 15.399 ======================= Grid point 90 (36/60) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -3.087 -0.901 2.284) 3.944 1.736 ( -2.892 -0.722 2.284) 3.755 1.736 ( 2.892 0.722 2.284) 3.755 1.736 ( 3.087 0.901 2.284) 3.944 1.889 ( -2.675 -3.201 0.548) 4.207 1.889 ( 2.539 -3.173 0.548) 4.100 1.889 ( -2.539 3.173 0.548) 4.100 1.889 ( 2.675 3.201 0.548) 4.207 2.382 ( -6.022 -2.260 2.583) 6.931 2.382 ( -5.946 2.209 2.583) 6.849 2.382 ( 5.946 -2.209 2.583) 6.849 2.382 ( 6.022 2.260 2.583) 6.931 3.176 ( -17.232 -5.848 0.732) 18.212 3.176 ( -12.866 1.162 0.732) 12.939 3.176 ( 12.866 -1.162 0.732) 12.939 3.176 ( 17.232 5.848 0.732) 18.212 3.761 ( -20.628 -14.352 5.992) 25.834 3.761 ( 19.525 -13.961 5.992) 24.740 3.761 ( -19.525 13.961 5.992) 24.740 3.761 ( 20.628 14.352 5.992) 25.834 4.432 ( -12.882 -16.565 -4.114) 21.384 4.432 ( 9.544 -15.990 -4.114) 19.071 4.432 ( -9.544 15.990 -4.114) 19.071 4.432 ( 12.882 16.565 -4.114) 21.384 5.274 ( -5.964 -8.965 -6.834) 12.753 5.274 ( 4.328 -8.727 -6.834) 11.899 5.274 ( -4.328 8.727 -6.834) 11.899 5.274 ( 5.964 8.965 -6.834) 12.753 5.861 ( -17.447 -2.020 7.816) 19.224 5.861 ( -17.249 1.537 7.816) 18.999 5.861 ( 17.249 -1.537 7.816) 18.999 5.861 ( 17.447 2.020 7.816) 19.224 6.228 ( -10.163 -13.738 8.600) 19.130 6.228 ( 5.253 -13.031 8.600) 16.473 6.228 ( -5.253 13.031 8.600) 16.473 6.228 ( 10.163 13.738 8.600) 19.130 7.073 ( -11.005 -7.390 7.419) 15.191 7.073 ( 0.071 -4.933 7.419) 8.910 7.073 ( -0.071 4.933 7.419) 8.910 7.073 ( 11.005 7.390 7.419) 15.191 7.466 ( -15.416 -3.228 0.268) 15.752 7.466 ( -15.386 3.192 0.268) 15.716 7.466 ( 15.386 -3.192 0.268) 15.716 7.466 ( 15.416 3.228 0.268) 15.752 7.822 ( -18.647 -11.301 3.171) 22.033 7.822 ( 6.494 -7.165 3.171) 10.176 7.822 ( -6.494 7.165 3.171) 10.176 7.822 ( 18.647 11.301 3.171) 22.033 8.672 ( -9.641 -12.102 -12.361) 19.804 8.672 ( 9.413 -12.057 -12.361) 19.667 8.672 ( -9.413 12.057 -12.361) 19.667 8.672 ( 9.641 12.102 -12.361) 19.804 9.290 ( -2.878 -11.773 -5.342) 13.245 9.290 ( 2.857 -11.772 -5.342) 13.239 9.290 ( -2.857 11.772 -5.342) 13.239 9.290 ( 2.878 11.773 -5.342) 13.245 9.781 ( -4.173 -16.375 -11.805) 20.613 9.781 ( 3.737 -16.348 -11.805) 20.509 9.781 ( -3.737 16.348 -11.805) 20.509 9.781 ( 4.173 16.375 -11.805) 20.613 10.347 ( -14.962 -3.832 -6.966) 16.943 10.347 ( -12.996 -0.970 -6.966) 14.777 10.347 ( 12.996 0.970 -6.966) 14.777 10.347 ( 14.962 3.832 -6.966) 16.943 11.191 ( -3.664 -3.419 -5.536) 7.467 11.191 ( 3.638 -3.412 -5.536) 7.451 11.191 ( -3.638 3.412 -5.536) 7.451 11.191 ( 3.664 3.419 -5.536) 7.467 11.496 ( -7.286 -19.462 2.645) 20.949 11.496 ( 4.278 -19.237 2.645) 19.884 11.496 ( -4.278 19.237 2.645) 19.884 11.496 ( 7.286 19.462 2.645) 20.949 12.178 ( -3.536 -4.503 4.448) 7.250 12.178 ( 1.288 -4.191 4.448) 6.245 12.178 ( -1.288 4.191 4.448) 6.245 12.178 ( 3.536 4.503 4.448) 7.250 12.924 ( -6.794 -7.096 4.819) 10.942 12.924 ( 2.549 -6.359 4.819) 8.376 12.924 ( -2.549 6.359 4.819) 8.376 12.924 ( 6.794 7.096 4.819) 10.942 14.104 ( -19.185 -23.795 1.720) 30.614 14.104 ( 12.504 -22.656 1.720) 25.935 14.104 ( -12.504 22.656 1.720) 25.935 14.104 ( 19.185 23.795 1.720) 30.614 15.330 ( -13.412 -7.430 12.005) 19.473 15.330 ( -0.009 -3.199 12.005) 12.424 15.330 ( 0.009 3.199 12.005) 12.424 15.330 ( 13.412 7.430 12.005) 19.473 16.001 ( -26.695 -10.030 -2.247) 28.605 16.001 ( -26.234 9.721 -2.247) 28.067 16.001 ( 26.234 -9.721 -2.247) 28.067 16.001 ( 26.695 10.030 -2.247) 28.605 16.908 ( -7.206 -10.776 0.896) 12.994 16.908 ( 6.524 -10.667 0.896) 12.536 16.908 ( -6.524 10.667 0.896) 12.536 16.908 ( 7.206 10.776 0.896) 12.994 17.378 ( -6.614 -0.792 -1.223) 6.773 17.378 ( -6.611 0.786 -1.223) 6.769 17.378 ( 6.611 -0.786 -1.223) 6.769 17.378 ( 6.614 0.792 -1.223) 6.773 17.610 ( -13.707 -3.222 1.919) 14.210 17.610 ( -13.706 3.222 1.919) 14.210 17.610 ( 13.706 -3.222 1.919) 14.210 17.610 ( 13.707 3.222 1.919) 14.210 18.032 ( -14.018 -12.508 -7.763) 20.328 18.032 ( 12.945 -12.215 -7.763) 19.418 18.032 ( -12.945 12.215 -7.763) 19.418 18.032 ( 14.018 12.508 -7.763) 20.328 19.638 ( -2.192 -16.746 2.466) 17.068 19.638 ( 1.018 -16.718 2.466) 16.930 19.638 ( -1.018 16.718 2.466) 16.930 19.638 ( 2.192 16.746 2.466) 17.068 20.379 ( -1.485 -1.918 -0.661) 2.514 20.379 ( 1.354 -1.893 -0.661) 2.420 20.379 ( -1.354 1.893 -0.661) 2.420 20.379 ( 1.485 1.918 -0.661) 2.514 20.798 ( -5.818 -3.272 -1.161) 6.775 20.798 ( -2.765 -2.039 -1.161) 3.626 20.798 ( 2.765 2.039 -1.161) 3.626 20.798 ( 5.818 3.272 -1.161) 6.775 21.097 ( -4.013 -1.966 -4.464) 6.316 21.097 ( -1.057 -0.343 -4.464) 4.600 21.097 ( 1.057 0.343 -4.464) 4.600 21.097 ( 4.013 1.966 -4.464) 6.316 21.404 ( -4.830 -7.710 -1.812) 9.277 21.404 ( 3.852 -7.572 -1.812) 8.686 21.404 ( -3.852 7.572 -1.812) 8.686 21.404 ( 4.830 7.710 -1.812) 9.277 22.099 ( -6.312 -10.521 8.117) 14.711 22.099 ( 4.818 -10.321 8.117) 13.986 22.099 ( -4.818 10.321 8.117) 13.986 22.099 ( 6.312 10.521 8.117) 14.711 22.593 ( -2.263 -4.054 -6.003) 7.589 22.593 ( 1.946 -4.012 -6.003) 7.478 22.593 ( -1.946 4.012 -6.003) 7.478 22.593 ( 2.263 4.054 -6.003) 7.589 23.013 ( -5.192 -10.100 1.802) 11.499 23.013 ( 1.691 -9.797 1.802) 10.104 23.013 ( -1.691 9.797 1.802) 10.104 23.013 ( 5.192 10.100 1.802) 11.499 23.405 ( -0.994 -1.310 2.358) 2.875 23.405 ( 0.910 -1.295 2.358) 2.840 23.405 ( -0.910 1.295 2.358) 2.840 23.405 ( 0.994 1.310 2.358) 2.875 23.721 ( -2.113 -7.987 4.772) 9.541 23.721 ( 1.735 -7.964 4.772) 9.445 23.721 ( -1.735 7.964 4.772) 9.445 23.721 ( 2.113 7.987 4.772) 9.541 24.042 ( -2.425 -9.812 5.558) 11.534 24.042 ( 2.349 -9.807 5.558) 11.515 24.042 ( -2.349 9.807 5.558) 11.515 24.042 ( 2.425 9.812 5.558) 11.534 24.344 ( -12.245 -8.073 -4.370) 15.304 24.344 ( 6.585 -6.207 -4.370) 10.049 24.344 ( -6.585 6.207 -4.370) 10.049 24.344 ( 12.245 8.073 -4.370) 15.304 24.873 ( -7.821 -4.607 3.560) 9.750 24.873 ( 0.426 -2.444 3.560) 4.339 24.873 ( -0.426 2.444 3.560) 4.339 24.873 ( 7.821 4.607 3.560) 9.750 26.423 ( -2.753 -13.642 -10.414) 17.382 26.423 ( 2.173 -13.616 -10.414) 17.279 26.423 ( -2.173 13.616 -10.414) 17.279 26.423 ( 2.753 13.642 -10.414) 17.382 27.315 ( -4.247 -0.980 1.303) 4.549 27.315 ( -3.950 0.594 1.303) 4.202 27.315 ( 3.950 -0.594 1.303) 4.202 27.315 ( 4.247 0.980 1.303) 4.549 30.438 ( -10.196 -7.031 0.194) 12.386 30.438 ( -0.780 -4.858 0.194) 4.924 30.438 ( 0.780 4.858 0.194) 4.924 30.438 ( 10.196 7.031 0.194) 12.386 31.297 ( -3.900 -5.699 3.961) 7.961 31.297 ( 3.358 -5.612 3.961) 7.646 31.297 ( -3.358 5.612 3.961) 7.646 31.297 ( 3.900 5.699 3.961) 7.961 31.539 ( -0.410 -8.575 1.973) 8.808 31.539 ( 0.373 -8.574 1.973) 8.806 31.539 ( -0.373 8.574 1.973) 8.806 31.539 ( 0.410 8.575 1.973) 8.808 36.257 ( -5.995 -3.480 -2.982) 7.546 36.257 ( 1.296 -1.883 -2.982) 3.757 36.257 ( -1.296 1.883 -2.982) 3.757 36.257 ( 5.995 3.480 -2.982) 7.546 37.724 ( -17.196 -13.591 -3.605) 22.213 37.724 ( 12.746 -12.305 -3.605) 18.080 37.724 ( -12.746 12.305 -3.605) 18.080 37.724 ( 17.196 13.591 -3.605) 22.213 39.966 ( -9.365 -1.015 3.389) 10.011 39.966 ( -9.151 0.193 3.389) 9.760 39.966 ( 9.151 -0.193 3.389) 9.760 39.966 ( 9.365 1.015 3.389) 10.011 40.532 ( -7.904 -4.469 -12.326) 15.309 40.532 ( -2.820 -2.518 -12.326) 12.893 40.532 ( 2.820 2.518 -12.326) 12.893 40.532 ( 7.904 4.469 -12.326) 15.309 41.970 ( -13.715 -7.730 10.999) 19.205 41.970 ( -6.798 -4.928 10.999) 13.838 41.970 ( 6.798 4.928 10.999) 13.838 41.970 ( 13.715 7.730 10.999) 19.205 43.115 ( -7.003 -10.581 -7.116) 14.548 43.115 ( 6.997 -10.580 -7.116) 14.544 43.115 ( -6.997 10.580 -7.116) 14.544 43.115 ( 7.003 10.581 -7.116) 14.548 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 0.000 5.228) 5.228 1.577 ( 0.000 0.000 3.330) 3.330 1.665 ( 0.000 0.000 11.129) 11.129 1.834 ( 0.000 0.000 0.320) 0.320 1.845 ( 0.000 0.000 -0.154) 0.154 1.898 ( 0.000 0.000 -3.063) 3.063 1.971 ( 0.000 0.000 2.710) 2.710 1.979 ( 0.000 0.000 5.366) 5.366 2.248 ( 0.000 0.000 5.754) 5.754 2.296 ( 0.000 0.000 1.253) 1.253 2.464 ( 0.000 0.000 13.437) 13.437 2.650 ( 0.000 0.000 0.587) 0.587 2.833 ( 0.000 0.000 19.899) 19.899 3.088 ( 0.000 0.000 11.925) 11.925 3.146 ( 0.000 0.000 11.669) 11.669 3.299 ( 0.000 0.000 26.632) 26.632 3.622 ( 0.000 0.000 20.997) 20.997 3.969 ( 0.000 0.000 21.975) 21.975 4.186 ( 0.000 0.000 1.973) 1.973 4.226 ( 0.000 0.000 -4.899) 4.899 4.528 ( 0.000 0.000 -5.893) 5.893 4.583 ( 0.000 0.000 -5.172) 5.172 4.699 ( 0.000 0.000 -3.440) 3.440 4.699 ( 0.000 0.000 -9.347) 9.347 4.843 ( 0.000 0.000 21.310) 21.310 4.887 ( 0.000 0.000 -14.849) 14.849 4.931 ( 0.000 0.000 -11.525) 11.525 5.100 ( 0.000 0.000 4.185) 4.185 5.640 ( 0.000 0.000 -4.683) 4.683 5.700 ( 0.000 0.000 -6.010) 6.010 5.833 ( 0.000 0.000 3.898) 3.898 5.993 ( 0.000 0.000 6.579) 6.579 6.006 ( 0.000 0.000 0.767) 0.767 6.127 ( 0.000 0.000 -16.340) 16.340 6.442 ( 0.000 0.000 -14.773) 14.773 6.716 ( 0.000 0.000 -1.941) 1.941 6.762 ( 0.000 0.000 -8.821) 8.821 6.788 ( 0.000 0.000 -6.892) 6.892 6.817 ( 0.000 0.000 -13.169) 13.169 6.857 ( 0.000 0.000 -19.911) 19.911 6.997 ( 0.000 0.000 9.751) 9.751 7.389 ( 0.000 0.000 -11.966) 11.966 7.412 ( 0.000 0.000 17.874) 17.874 7.447 ( 0.000 0.000 -5.271) 5.271 7.454 ( 0.000 0.000 0.477) 0.477 8.039 ( 0.000 0.000 15.951) 15.951 8.139 ( 0.000 0.000 -0.721) 0.721 8.369 ( 0.000 0.000 25.856) 25.856 8.572 ( 0.000 0.000 -2.776) 2.776 8.588 ( 0.000 0.000 -5.748) 5.748 8.621 ( 0.000 0.000 20.537) 20.537 8.922 ( 0.000 0.000 3.937) 3.937 9.069 ( 0.000 0.000 -7.899) 7.899 9.190 ( 0.000 0.000 -18.781) 18.781 9.247 ( 0.000 0.000 5.174) 5.174 9.383 ( 0.000 0.000 -18.994) 18.994 9.539 ( 0.000 0.000 -17.377) 17.377 9.627 ( 0.000 0.000 -12.580) 12.580 9.736 ( 0.000 0.000 3.248) 3.248 9.754 ( 0.000 0.000 5.826) 5.826 9.972 ( 0.000 0.000 -11.177) 11.177 10.238 ( 0.000 0.000 -2.072) 2.072 10.297 ( 0.000 0.000 12.801) 12.801 10.368 ( 0.000 0.000 -24.978) 24.978 10.421 ( 0.000 0.000 -5.258) 5.258 10.774 ( 0.000 0.000 -14.008) 14.008 11.300 ( 0.000 0.000 -2.566) 2.566 11.378 ( 0.000 0.000 -6.055) 6.055 11.460 ( 0.000 0.000 1.227) 1.227 11.523 ( 0.000 0.000 -2.245) 2.245 11.894 ( 0.000 0.000 5.071) 5.071 11.954 ( 0.000 0.000 10.835) 10.835 12.095 ( 0.000 0.000 7.122) 7.122 12.491 ( 0.000 0.000 -0.712) 0.712 12.511 ( 0.000 0.000 0.047) 0.047 12.804 ( 0.000 0.000 4.274) 4.274 12.819 ( 0.000 0.000 7.522) 7.522 13.047 ( 0.000 0.000 17.556) 17.556 13.090 ( 0.000 0.000 -2.937) 2.937 13.358 ( 0.000 0.000 6.994) 6.994 13.505 ( 0.000 0.000 5.008) 5.008 13.635 ( 0.000 0.000 -7.623) 7.623 14.466 ( 0.000 0.000 9.811) 9.811 14.815 ( 0.000 0.000 -10.757) 10.757 14.825 ( 0.000 0.000 -2.606) 2.606 14.827 ( 0.000 0.000 -2.127) 2.127 14.949 ( 0.000 0.000 9.836) 9.836 15.248 ( 0.000 0.000 -2.916) 2.916 15.829 ( 0.000 0.000 12.372) 12.372 15.912 ( 0.000 0.000 21.677) 21.677 16.379 ( 0.000 0.000 -13.723) 13.723 16.618 ( 0.000 0.000 4.358) 4.358 16.730 ( 0.000 0.000 13.012) 13.012 16.797 ( 0.000 0.000 -0.866) 0.866 16.832 ( 0.000 0.000 -18.396) 18.396 16.954 ( 0.000 0.000 5.322) 5.322 17.117 ( 0.000 0.000 -2.248) 2.248 17.138 ( 0.000 0.000 -3.240) 3.240 17.335 ( 0.000 0.000 -1.326) 1.326 17.426 ( 0.000 0.000 -8.346) 8.346 17.792 ( 0.000 0.000 7.787) 7.787 17.985 ( 0.000 0.000 -1.010) 1.010 18.015 ( 0.000 0.000 4.006) 4.006 18.370 ( 0.000 0.000 -10.591) 10.591 18.439 ( 0.000 0.000 7.329) 7.329 18.502 ( 0.000 0.000 4.485) 4.485 18.558 ( 0.000 0.000 0.492) 0.492 18.587 ( 0.000 0.000 -0.717) 0.717 18.782 ( 0.000 0.000 -0.494) 0.494 18.908 ( 0.000 0.000 -6.449) 6.449 19.964 ( 0.000 0.000 12.878) 12.878 20.164 ( 0.000 0.000 3.703) 3.703 20.224 ( 0.000 0.000 -0.355) 0.355 20.329 ( 0.000 0.000 1.862) 1.862 20.357 ( 0.000 0.000 -2.501) 2.501 20.370 ( 0.000 0.000 -3.522) 3.522 20.423 ( 0.000 0.000 -4.374) 4.374 20.538 ( 0.000 0.000 -6.205) 6.205 20.710 ( 0.000 0.000 -0.561) 0.561 20.746 ( 0.000 0.000 0.431) 0.431 20.884 ( 0.000 0.000 -2.737) 2.737 20.889 ( 0.000 0.000 -6.970) 6.970 20.889 ( 0.000 0.000 -2.232) 2.232 20.992 ( 0.000 0.000 3.144) 3.144 21.048 ( 0.000 0.000 -6.326) 6.326 21.180 ( 0.000 0.000 -6.777) 6.777 21.533 ( 0.000 0.000 3.381) 3.381 21.628 ( 0.000 0.000 -1.704) 1.704 21.709 ( 0.000 0.000 -4.622) 4.622 21.715 ( 0.000 0.000 -3.878) 3.878 21.865 ( 0.000 0.000 14.163) 14.163 22.291 ( 0.000 0.000 -3.286) 3.286 22.327 ( 0.000 0.000 4.819) 4.819 22.578 ( 0.000 0.000 4.153) 4.153 22.635 ( 0.000 0.000 -11.451) 11.451 22.699 ( 0.000 0.000 -1.643) 1.643 22.832 ( 0.000 0.000 -6.373) 6.373 22.956 ( 0.000 0.000 -11.689) 11.689 23.114 ( 0.000 0.000 5.773) 5.773 23.214 ( 0.000 0.000 12.019) 12.019 23.225 ( 0.000 0.000 0.604) 0.604 23.242 ( 0.000 0.000 9.052) 9.052 23.397 ( 0.000 0.000 1.546) 1.546 23.444 ( 0.000 0.000 2.358) 2.358 23.621 ( 0.000 0.000 -2.427) 2.427 23.638 ( 0.000 0.000 5.816) 5.816 23.686 ( 0.000 0.000 2.319) 2.319 23.789 ( 0.000 0.000 -5.671) 5.671 23.810 ( 0.000 0.000 0.963) 0.963 24.030 ( 0.000 0.000 -7.080) 7.080 24.042 ( 0.000 0.000 -3.754) 3.754 24.149 ( 0.000 0.000 -5.178) 5.178 24.620 ( 0.000 0.000 12.246) 12.246 24.772 ( 0.000 0.000 19.138) 19.138 24.818 ( 0.000 0.000 0.374) 0.374 24.856 ( 0.000 0.000 12.408) 12.408 25.159 ( 0.000 0.000 -3.183) 3.183 25.195 ( 0.000 0.000 1.122) 1.122 25.269 ( 0.000 0.000 -6.313) 6.313 25.786 ( 0.000 0.000 7.545) 7.545 25.989 ( 0.000 0.000 -22.257) 22.257 26.072 ( 0.000 0.000 -5.847) 5.847 26.128 ( 0.000 0.000 3.713) 3.713 26.285 ( 0.000 0.000 -9.081) 9.081 27.203 ( 0.000 0.000 1.284) 1.284 27.209 ( 0.000 0.000 -0.623) 0.623 27.318 ( 0.000 0.000 3.049) 3.049 27.342 ( 0.000 0.000 0.585) 0.585 30.146 ( 0.000 0.000 7.314) 7.314 30.324 ( 0.000 0.000 -2.695) 2.695 30.792 ( 0.000 0.000 3.428) 3.428 30.851 ( 0.000 0.000 1.420) 1.420 31.142 ( 0.000 0.000 3.989) 3.989 31.155 ( 0.000 0.000 2.167) 2.167 31.196 ( 0.000 0.000 -0.567) 0.567 31.274 ( 0.000 0.000 -2.531) 2.531 31.333 ( 0.000 0.000 -0.047) 0.047 31.356 ( 0.000 0.000 0.055) 0.055 31.679 ( 0.000 0.000 2.781) 2.781 31.719 ( 0.000 0.000 0.412) 0.412 35.874 ( 0.000 0.000 -1.698) 1.698 35.905 ( 0.000 0.000 -4.398) 4.398 36.042 ( 0.000 0.000 -2.325) 2.325 36.149 ( 0.000 0.000 -7.010) 7.010 37.290 ( 0.000 0.000 14.171) 14.171 37.661 ( 0.000 0.000 14.800) 14.800 37.812 ( 0.000 0.000 -11.471) 11.471 38.314 ( 0.000 0.000 -17.280) 17.280 39.554 ( 0.000 0.000 3.649) 3.649 39.643 ( 0.000 0.000 -0.108) 0.108 39.699 ( 0.000 0.000 0.166) 0.166 39.847 ( 0.000 0.000 -8.136) 8.136 40.432 ( 0.000 0.000 8.691) 8.691 40.686 ( 0.000 0.000 1.400) 1.400 40.687 ( 0.000 0.000 1.690) 1.690 40.847 ( 0.000 0.000 -12.074) 12.074 41.194 ( 0.000 0.000 8.554) 8.554 41.642 ( 0.000 0.000 -14.430) 14.430 42.316 ( 0.000 0.000 13.260) 13.260 42.884 ( 0.000 0.000 -15.343) 15.343 42.978 ( 0.000 0.000 8.002) 8.002 43.107 ( 0.000 0.000 7.596) 7.596 43.200 ( 0.000 0.000 2.665) 2.665 43.375 ( 0.000 0.000 -13.021) 13.021 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 4.095 0.000 4.963) 6.435 1.616 ( 3.841 0.000 3.037) 4.897 1.721 ( 4.750 0.000 8.096) 9.386 1.834 ( 0.009 0.000 0.493) 0.493 1.857 ( 1.119 0.000 -0.239) 1.144 1.912 ( 1.311 0.000 -2.772) 3.067 1.933 ( -2.367 0.000 5.760) 6.227 1.961 ( -2.104 0.000 3.456) 4.046 2.229 ( -1.081 0.000 7.582) 7.658 2.317 ( 2.163 0.000 0.736) 2.285 2.468 ( 1.747 0.000 11.571) 11.702 2.626 ( -2.631 0.000 0.964) 2.802 2.800 ( 1.224 0.000 19.428) 19.467 3.025 ( -3.519 0.000 14.237) 14.665 3.156 ( 0.011 0.000 6.543) 6.543 3.468 ( 9.365 0.000 16.913) 19.333 3.615 ( 5.573 0.000 21.174) 21.895 4.113 ( -12.941 0.000 -2.456) 13.172 4.133 ( -1.898 0.000 -3.060) 3.601 4.305 ( 19.067 0.000 11.589) 22.312 4.437 ( -15.217 0.000 -8.223) 17.297 4.617 ( -8.501 0.000 -2.102) 8.757 4.677 ( -0.745 0.000 -16.841) 16.858 4.735 ( 16.065 0.000 5.870) 17.104 4.763 ( 5.458 0.000 -11.184) 12.445 4.933 ( 5.412 0.000 10.027) 11.394 5.169 ( 12.497 0.000 -10.945) 16.612 5.180 ( 5.921 0.000 1.435) 6.093 5.596 ( -13.367 0.000 3.948) 13.938 5.657 ( 9.472 0.000 3.907) 10.246 5.801 ( -4.919 0.000 13.553) 14.418 5.837 ( -9.813 0.000 0.311) 9.818 6.006 ( 13.020 0.000 -2.232) 13.210 6.185 ( -6.777 0.000 -8.137) 10.590 6.344 ( -14.391 0.000 -10.691) 17.928 6.482 ( 1.480 0.000 -19.137) 19.194 6.660 ( -7.702 0.000 4.184) 8.765 6.792 ( 10.986 0.000 7.838) 13.496 6.991 ( 3.845 0.000 4.513) 5.929 7.062 ( -8.923 0.000 -6.242) 10.889 7.220 ( 4.749 0.000 -3.101) 5.672 7.274 ( 18.634 0.000 -8.725) 20.575 7.446 ( 7.498 0.000 -15.382) 17.112 7.487 ( 3.474 0.000 -5.947) 6.887 7.743 ( 19.628 0.000 -0.401) 19.632 7.984 ( -12.361 0.000 4.215) 13.060 8.106 ( 4.538 0.000 8.849) 9.945 8.378 ( 0.860 0.000 22.572) 22.588 8.489 ( -5.169 0.000 11.373) 12.492 8.530 ( -5.854 0.000 -7.733) 9.699 8.876 ( 17.297 0.000 6.151) 18.358 8.889 ( -0.834 0.000 9.182) 9.220 9.064 ( -11.058 0.000 -1.349) 11.140 9.139 ( 4.135 0.000 -8.290) 9.264 9.236 ( -2.501 0.000 -0.668) 2.589 9.246 ( -9.952 0.000 -12.981) 16.357 9.450 ( -13.476 0.000 -6.179) 14.825 9.454 ( -5.966 0.000 -15.083) 16.220 9.797 ( 4.131 0.000 -8.574) 9.518 9.804 ( 1.296 0.000 -2.651) 2.951 9.965 ( -0.602 0.000 -11.016) 11.033 10.222 ( -0.974 0.000 -17.032) 17.060 10.353 ( 4.904 0.000 10.918) 11.969 10.372 ( 0.142 0.000 -8.632) 8.633 10.407 ( 1.303 0.000 -14.390) 14.449 10.831 ( 5.490 0.000 -12.578) 13.723 11.275 ( -2.910 0.000 -0.856) 3.034 11.380 ( -1.269 0.000 -5.932) 6.066 11.429 ( -1.350 0.000 2.487) 2.830 11.512 ( -0.960 0.000 -1.005) 1.390 11.853 ( -2.782 0.000 3.881) 4.775 12.108 ( 11.671 0.000 11.375) 16.297 12.235 ( 9.839 0.000 8.109) 12.750 12.264 ( -16.230 0.000 -8.215) 18.191 12.497 ( -2.275 0.000 14.722) 14.897 12.781 ( -6.135 0.000 2.980) 6.821 12.836 ( 1.573 0.000 10.816) 10.930 12.908 ( -9.011 0.000 10.435) 13.788 13.204 ( 0.827 0.000 -6.027) 6.083 13.270 ( -9.957 0.000 4.093) 10.766 13.385 ( -10.757 0.000 2.647) 11.078 13.420 ( -5.777 0.000 -9.240) 10.897 14.725 ( 20.540 0.000 8.701) 22.307 14.773 ( -7.059 0.000 7.742) 10.477 14.844 ( 11.240 0.000 5.040) 12.318 15.077 ( 11.588 0.000 -1.375) 11.669 15.114 ( 20.158 0.000 -6.265) 21.110 15.222 ( -1.389 0.000 -1.371) 1.952 15.865 ( 3.749 0.000 10.124) 10.796 15.925 ( 0.389 0.000 15.553) 15.558 16.301 ( -8.724 0.000 -4.555) 9.842 16.467 ( -12.975 0.000 -1.078) 13.019 16.766 ( 5.016 0.000 4.145) 6.507 16.773 ( -0.756 0.000 -3.024) 3.117 16.832 ( -1.044 0.000 -7.065) 7.142 17.024 ( 7.179 0.000 4.509) 8.477 17.097 ( -3.992 0.000 -6.828) 7.910 17.200 ( 4.260 0.000 -4.072) 5.893 17.328 ( -0.244 0.000 -0.202) 0.316 17.382 ( -2.929 0.000 -4.294) 5.198 17.726 ( -5.849 0.000 6.484) 8.733 17.862 ( -9.117 0.000 -0.800) 9.152 17.894 ( -10.498 0.000 4.477) 11.412 18.222 ( -15.555 0.000 -3.610) 15.968 18.329 ( -17.099 0.000 6.147) 18.170 18.467 ( -1.127 0.000 -3.675) 3.844 18.502 ( -6.077 0.000 -1.547) 6.271 18.592 ( -11.266 0.000 -6.030) 12.778 18.755 ( 3.093 0.000 2.871) 4.220 18.900 ( 9.680 0.000 -2.049) 9.895 20.028 ( 4.442 0.000 8.204) 9.329 20.118 ( -4.080 0.000 1.673) 4.409 20.164 ( 1.481 0.000 1.688) 2.246 20.361 ( 2.853 0.000 1.545) 3.244 20.365 ( -2.097 0.000 -6.495) 6.825 20.461 ( 4.723 0.000 -2.217) 5.217 20.507 ( 8.660 0.000 -0.393) 8.669 20.613 ( 3.304 0.000 -3.765) 5.009 20.733 ( 2.316 0.000 1.224) 2.620 20.790 ( 4.827 0.000 -0.110) 4.828 20.873 ( -0.123 0.000 -4.054) 4.056 20.926 ( 3.296 0.000 -6.574) 7.353 20.955 ( 6.586 0.000 1.432) 6.740 21.010 ( 1.897 0.000 2.780) 3.366 21.156 ( 8.915 0.000 -4.489) 9.982 21.175 ( -0.079 0.000 -5.415) 5.415 21.615 ( -7.005 0.000 -4.229) 8.183 21.676 ( -4.470 0.000 -6.211) 7.652 21.686 ( 12.812 0.000 1.669) 12.920 21.737 ( 6.922 0.000 5.318) 8.729 21.875 ( 5.195 0.000 5.180) 7.336 22.307 ( 1.463 0.000 -5.492) 5.684 22.395 ( 5.224 0.000 3.963) 6.557 22.528 ( -3.622 0.000 6.869) 7.765 22.635 ( -2.042 0.000 -7.027) 7.318 22.752 ( 5.682 0.000 -4.089) 7.001 22.858 ( 2.883 0.000 -5.848) 6.520 22.937 ( -2.476 0.000 -4.427) 5.073 23.075 ( -6.124 0.000 10.177) 11.877 23.159 ( 4.902 0.000 2.427) 5.470 23.239 ( 1.209 0.000 0.961) 1.545 23.389 ( 4.762 0.000 2.310) 5.293 23.446 ( 5.830 0.000 3.107) 6.606 23.454 ( 0.713 0.000 2.885) 2.972 23.579 ( -3.430 0.000 3.259) 4.731 23.591 ( -1.707 0.000 1.028) 1.993 23.696 ( -2.259 0.000 -0.042) 2.259 23.846 ( 4.323 0.000 4.509) 6.246 23.856 ( 7.077 0.000 -4.202) 8.231 24.069 ( -1.328 0.000 -4.119) 4.328 24.097 ( 5.813 0.000 -5.567) 8.049 24.121 ( 1.421 0.000 -4.212) 4.445 24.536 ( -8.003 0.000 12.341) 14.709 24.664 ( -6.733 0.000 6.492) 9.353 24.741 ( -9.558 0.000 3.879) 10.315 24.803 ( -5.406 0.000 11.371) 12.591 25.001 ( -15.993 0.000 -3.867) 16.454 25.158 ( -3.631 0.000 5.759) 6.808 25.168 ( -9.554 0.000 -3.977) 10.348 25.577 ( -24.494 0.000 -1.297) 24.528 25.813 ( 2.649 0.000 3.885) 4.702 26.069 ( -0.729 0.000 -6.908) 6.946 26.327 ( 6.880 0.000 -4.237) 8.080 26.381 ( 9.095 0.000 -14.208) 16.869 27.225 ( 1.642 0.000 0.349) 1.679 27.242 ( 2.503 0.000 -1.141) 2.751 27.319 ( 0.266 0.000 2.793) 2.806 27.345 ( 0.222 0.000 0.690) 0.725 30.167 ( 2.314 0.000 6.862) 7.242 30.360 ( 2.951 0.000 -3.434) 4.527 30.804 ( 1.504 0.000 3.998) 4.271 30.884 ( 2.664 0.000 0.648) 2.741 31.024 ( -7.584 0.000 2.781) 8.078 31.138 ( -6.025 0.000 -3.182) 6.814 31.138 ( -0.228 0.000 4.103) 4.109 31.266 ( -0.880 0.000 -2.214) 2.383 31.405 ( 7.284 0.000 3.207) 7.959 31.507 ( 9.261 0.000 -1.545) 9.389 31.693 ( 0.653 0.000 2.969) 3.040 31.740 ( 2.194 0.000 0.546) 2.261 35.897 ( 3.866 0.000 -0.158) 3.869 36.002 ( 7.312 0.000 -5.586) 9.202 36.085 ( 4.299 0.000 -1.406) 4.523 36.222 ( 6.006 0.000 -7.502) 9.610 37.287 ( 0.058 0.000 12.902) 12.903 37.680 ( 2.208 0.000 11.461) 11.671 37.762 ( -5.024 0.000 -10.386) 11.538 38.266 ( -4.942 0.000 -16.889) 17.598 39.636 ( 8.037 0.000 3.689) 8.843 39.729 ( 3.018 0.000 0.331) 3.036 39.748 ( 9.882 0.000 -1.678) 10.024 39.880 ( 3.406 0.000 -7.971) 8.668 40.416 ( -1.517 0.000 9.060) 9.187 40.458 ( -13.698 0.000 4.338) 14.368 40.655 ( -8.957 0.000 -5.238) 10.376 40.821 ( -2.899 0.000 -11.207) 11.576 41.350 ( 13.844 0.000 9.737) 16.925 41.757 ( 9.684 0.000 -11.640) 15.142 42.284 ( -2.590 0.000 12.793) 13.052 42.765 ( -10.032 0.000 -5.254) 11.325 43.005 ( 1.577 0.000 -1.022) 1.879 43.023 ( -7.466 0.000 8.381) 11.224 43.157 ( -4.702 0.000 1.494) 4.934 43.339 ( -3.713 0.000 -12.995) 13.515 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 5.665 0.000 2.984) 6.403 1.709 ( 5.120 0.000 2.122) 5.542 1.803 ( 2.843 0.000 3.801) 4.746 1.835 ( 0.057 0.000 1.151) 1.153 1.886 ( 1.881 0.000 -0.546) 1.959 1.889 ( -2.661 0.000 2.784) 3.851 1.904 ( -3.633 0.000 2.708) 4.531 1.935 ( 0.490 0.000 -2.409) 2.458 2.268 ( 5.555 0.000 6.326) 8.418 2.379 ( 4.044 0.000 -0.076) 4.044 2.496 ( -0.867 0.000 5.165) 5.237 2.554 ( -4.230 0.000 0.782) 4.302 2.969 ( 15.882 0.000 10.903) 19.264 3.071 ( 9.144 0.000 13.504) 16.308 3.134 ( 3.116 0.000 7.658) 8.268 3.640 ( 5.973 0.000 16.449) 17.500 3.701 ( -14.383 0.000 4.397) 15.041 3.786 ( -11.335 0.000 -0.942) 11.374 3.928 ( -18.634 0.000 -15.329) 24.129 4.103 ( -10.217 0.000 1.275) 10.297 4.450 ( -0.075 0.000 8.922) 8.922 4.603 ( 9.490 0.000 -3.309) 10.050 4.705 ( 1.784 0.000 -10.346) 10.499 4.884 ( 6.045 0.000 -8.528) 10.453 5.007 ( -1.331 0.000 1.547) 2.041 5.062 ( -10.520 0.000 -0.314) 10.525 5.133 ( 17.061 0.000 3.386) 17.394 5.364 ( 4.039 0.000 -10.477) 11.228 5.623 ( -3.452 0.000 4.388) 5.583 5.638 ( 1.657 0.000 8.380) 8.542 5.780 ( 10.161 0.000 10.745) 14.788 5.898 ( 4.422 0.000 -3.141) 5.423 6.063 ( -10.664 0.000 -5.364) 11.937 6.210 ( 23.065 0.000 16.461) 28.337 6.382 ( -8.778 0.000 -1.888) 8.979 6.405 ( -5.908 0.000 7.895) 9.861 6.575 ( 16.606 0.000 -1.007) 16.637 6.725 ( -9.528 0.000 2.461) 9.841 7.083 ( 14.747 0.000 9.344) 17.458 7.191 ( 16.008 0.000 -0.956) 16.037 7.334 ( -0.446 0.000 -11.036) 11.045 7.426 ( 1.332 0.000 -8.656) 8.758 7.500 ( -7.414 0.000 -10.592) 12.929 7.717 ( 10.359 0.000 -11.380) 15.389 7.765 ( -4.627 0.000 8.844) 9.981 8.049 ( 0.395 0.000 -3.498) 3.521 8.124 ( -3.794 0.000 -2.461) 4.522 8.317 ( -11.802 0.000 -11.121) 16.216 8.379 ( 4.169 0.000 6.614) 7.818 8.455 ( 4.517 0.000 22.354) 22.806 8.838 ( -6.512 0.000 3.714) 7.496 8.937 ( -10.670 0.000 6.230) 12.355 8.964 ( 3.158 0.000 16.426) 16.727 9.088 ( -10.329 0.000 -16.799) 19.720 9.121 ( -11.532 0.000 -8.265) 14.188 9.193 ( -6.713 0.000 4.600) 8.138 9.343 ( 19.489 0.000 -1.379) 19.538 9.493 ( 10.040 0.000 -12.795) 16.264 9.850 ( 1.060 0.000 -18.664) 18.694 9.853 ( 5.920 0.000 -6.697) 8.939 9.954 ( -0.993 0.000 -13.008) 13.046 10.264 ( -2.455 0.000 -9.313) 9.631 10.316 ( 1.171 0.000 -21.581) 21.613 10.469 ( 2.219 0.000 -15.248) 15.408 10.477 ( 8.505 0.000 11.089) 13.975 10.959 ( 6.240 0.000 -11.132) 12.762 11.118 ( -14.514 0.000 4.061) 15.072 11.296 ( -6.429 0.000 -5.432) 8.416 11.439 ( 2.196 0.000 3.345) 4.001 11.499 ( -0.248 0.000 1.214) 1.239 11.826 ( 0.531 0.000 3.845) 3.882 12.072 ( -1.517 0.000 -5.955) 6.145 12.225 ( 1.878 0.000 7.168) 7.409 12.345 ( -13.027 0.000 14.400) 19.418 12.366 ( 0.073 0.000 3.514) 3.514 12.579 ( -12.186 0.000 3.990) 12.823 12.694 ( -7.850 0.000 5.229) 9.432 12.852 ( -17.995 0.000 -3.258) 18.288 13.055 ( -7.917 0.000 3.181) 8.532 13.127 ( 23.561 0.000 15.774) 28.354 13.160 ( -10.735 0.000 -2.859) 11.109 13.741 ( 18.243 0.000 -10.643) 21.120 14.536 ( -11.511 0.000 10.853) 15.820 14.955 ( -9.917 0.000 -7.290) 12.308 15.187 ( 20.767 0.000 9.753) 22.943 15.261 ( 20.671 0.000 12.225) 24.016 15.431 ( 17.095 0.000 5.321) 17.904 15.588 ( 26.570 0.000 -7.716) 27.667 15.858 ( -9.215 0.000 9.393) 13.159 15.928 ( -0.804 0.000 5.925) 5.979 16.059 ( -14.109 0.000 3.311) 14.493 16.245 ( -8.348 0.000 -5.154) 9.811 16.729 ( -1.989 0.000 1.875) 2.733 16.833 ( 0.552 0.000 -3.132) 3.180 16.857 ( 0.323 0.000 -0.327) 0.459 17.047 ( 2.764 0.000 -9.271) 9.674 17.199 ( 8.475 0.000 1.075) 8.543 17.285 ( 4.864 0.000 -2.501) 5.470 17.289 ( -4.672 0.000 1.254) 4.837 17.362 ( 3.717 0.000 -0.538) 3.755 17.610 ( -4.626 0.000 4.286) 6.307 17.675 ( -10.682 0.000 1.909) 10.851 17.682 ( -9.520 0.000 1.553) 9.645 17.889 ( -17.184 0.000 -3.832) 17.607 17.916 ( -19.416 0.000 3.307) 19.696 18.154 ( -25.170 0.000 -6.940) 26.109 18.355 ( -5.576 0.000 -3.548) 6.609 18.429 ( -3.687 0.000 -8.373) 9.149 18.975 ( 11.996 0.000 3.547) 12.509 19.098 ( 7.516 0.000 -1.474) 7.659 20.075 ( 2.368 0.000 4.951) 5.488 20.131 ( 2.093 0.000 3.611) 4.174 20.219 ( 3.702 0.000 0.423) 3.726 20.338 ( -1.462 0.000 -4.299) 4.541 20.416 ( 2.543 0.000 1.273) 2.844 20.498 ( -0.556 0.000 -1.684) 1.773 20.619 ( 2.720 0.000 0.014) 2.720 20.646 ( 0.697 0.000 -0.796) 1.058 20.801 ( 4.546 0.000 1.812) 4.894 20.898 ( 1.818 0.000 -4.123) 4.506 20.906 ( 5.879 0.000 -1.319) 6.025 20.989 ( 2.116 0.000 -3.972) 4.501 21.069 ( 3.979 0.000 0.569) 4.020 21.088 ( 5.624 0.000 6.711) 8.756 21.177 ( -0.260 0.000 -3.910) 3.918 21.293 ( 0.601 0.000 2.445) 2.517 21.506 ( -0.372 0.000 -9.677) 9.684 21.605 ( -1.691 0.000 -9.720) 9.866 21.785 ( 2.506 0.000 13.892) 14.117 21.894 ( 5.353 0.000 3.810) 6.571 22.136 ( 14.784 0.000 -7.215) 16.450 22.356 ( 3.283 0.000 -10.221) 10.735 22.403 ( -2.888 0.000 3.506) 4.542 22.499 ( -3.754 0.000 3.116) 4.879 22.617 ( 4.337 0.000 3.636) 5.660 22.825 ( -1.350 0.000 3.770) 4.005 22.883 ( -0.333 0.000 1.860) 1.889 22.938 ( 3.206 0.000 -3.342) 4.631 23.041 ( 4.681 0.000 -0.846) 4.757 23.274 ( 3.516 0.000 2.127) 4.110 23.285 ( 6.710 0.000 0.340) 6.719 23.353 ( -6.647 0.000 -7.726) 10.192 23.503 ( 3.655 0.000 5.793) 6.850 23.517 ( -3.758 0.000 0.828) 3.848 23.540 ( 2.269 0.000 3.258) 3.970 23.602 ( -7.033 0.000 -0.905) 7.091 23.631 ( 5.329 0.000 7.592) 9.276 23.931 ( 3.388 0.000 6.238) 7.099 23.932 ( -8.546 0.000 -2.222) 8.830 24.067 ( 12.754 0.000 1.470) 12.839 24.181 ( -0.901 0.000 -5.147) 5.226 24.280 ( 11.930 0.000 -5.883) 13.302 24.336 ( -9.481 0.000 10.384) 14.061 24.562 ( -9.583 0.000 0.790) 9.616 24.596 ( 1.951 0.000 3.320) 3.850 24.646 ( -10.095 0.000 6.949) 12.255 24.684 ( -6.857 0.000 -3.602) 7.745 24.928 ( -14.366 0.000 -3.097) 14.696 25.013 ( -11.355 0.000 7.437) 13.574 25.147 ( -19.425 0.000 4.519) 19.943 25.880 ( 3.976 0.000 -1.209) 4.156 26.032 ( -2.992 0.000 -7.403) 7.985 26.467 ( 7.167 0.000 -5.922) 9.297 26.532 ( 5.588 0.000 -11.006) 12.343 27.249 ( 0.768 0.000 -0.183) 0.789 27.273 ( 0.354 0.000 -1.379) 1.424 27.330 ( 0.795 0.000 2.210) 2.349 27.349 ( 0.092 0.000 0.963) 0.967 30.238 ( 4.817 0.000 4.950) 6.907 30.399 ( -0.101 0.000 -3.196) 3.198 30.850 ( 2.891 0.000 4.037) 4.965 30.914 ( -2.713 0.000 2.216) 3.503 30.924 ( 0.681 0.000 0.742) 1.007 31.022 ( -5.595 0.000 -3.271) 6.480 31.146 ( 1.342 0.000 3.298) 3.561 31.238 ( -2.010 0.000 -1.162) 2.322 31.539 ( 5.983 0.000 3.975) 7.183 31.657 ( 3.672 0.000 -0.443) 3.699 31.702 ( 1.954 0.000 2.879) 3.480 31.782 ( 1.289 0.000 0.123) 1.295 36.014 ( 7.166 0.000 0.804) 7.210 36.130 ( 4.231 0.000 -4.771) 6.377 36.195 ( 6.334 0.000 -0.097) 6.335 36.318 ( 2.521 0.000 -5.051) 5.645 37.316 ( 3.634 0.000 7.958) 8.749 37.622 ( -8.870 0.000 -6.839) 11.201 37.762 ( 6.435 0.000 2.263) 6.821 38.123 ( -9.283 0.000 -14.220) 16.982 39.817 ( 5.882 0.000 1.072) 5.979 39.833 ( 10.866 0.000 3.554) 11.433 39.968 ( 9.796 0.000 -3.829) 10.517 39.977 ( 5.955 0.000 -6.613) 8.899 40.206 ( -10.821 0.000 2.109) 11.025 40.395 ( 0.906 0.000 8.371) 8.420 40.429 ( -12.624 0.000 -8.109) 15.004 40.718 ( -7.929 0.000 -7.847) 11.155 41.651 ( 15.463 0.000 8.675) 17.730 41.929 ( 5.606 0.000 -5.546) 7.886 42.256 ( 0.813 0.000 10.241) 10.273 42.541 ( -11.801 0.000 0.810) 11.829 42.875 ( -5.719 0.000 7.369) 9.328 43.021 ( -8.578 0.000 0.272) 8.582 43.043 ( 2.715 0.000 -5.753) 6.362 43.238 ( -6.182 0.000 -11.816) 13.336 ======================= Grid point 108 (40/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.287 0.000 1.770) 1.793 1.785 ( 0.287 0.000 1.770) 1.793 1.832 ( -0.526 0.000 2.052) 2.118 1.832 ( 0.526 0.000 2.052) 2.118 1.839 ( -0.433 0.000 1.991) 2.038 1.839 ( 0.433 0.000 1.991) 2.038 1.923 ( -1.542 0.000 -1.467) 2.129 1.923 ( 1.542 0.000 -1.467) 2.129 2.402 ( -6.449 0.000 2.373) 6.872 2.402 ( 6.449 0.000 2.373) 6.872 2.473 ( -4.152 0.000 0.312) 4.164 2.473 ( 4.152 0.000 0.312) 4.164 3.300 ( -16.660 0.000 1.446) 16.723 3.300 ( 16.660 0.000 1.446) 16.723 3.385 ( -21.345 0.000 8.503) 22.976 3.385 ( 21.345 0.000 8.503) 22.976 3.430 ( -21.953 0.000 3.246) 22.192 3.430 ( 21.953 0.000 3.246) 22.192 3.917 ( -9.500 0.000 -0.401) 9.509 3.917 ( 9.500 0.000 -0.401) 9.509 4.705 ( -19.268 0.000 12.615) 23.030 4.705 ( 19.268 0.000 12.615) 23.030 4.709 ( -2.011 0.000 -6.547) 6.849 4.709 ( 2.011 0.000 -6.547) 6.849 4.993 ( -4.368 0.000 -5.879) 7.324 4.993 ( 4.368 0.000 -5.879) 7.324 5.327 ( -4.878 0.000 -6.830) 8.393 5.327 ( 4.878 0.000 -6.830) 8.393 5.740 ( -9.664 0.000 -2.410) 9.960 5.740 ( 9.664 0.000 -2.410) 9.960 5.805 ( -17.576 0.000 11.221) 20.853 5.805 ( 17.576 0.000 11.221) 20.853 6.163 ( -13.301 0.000 8.349) 15.705 6.163 ( 13.301 0.000 8.349) 15.705 6.280 ( -11.229 0.000 4.505) 12.098 6.280 ( 11.229 0.000 4.505) 12.099 6.969 ( -6.978 0.000 2.431) 7.389 6.969 ( 6.978 0.000 2.431) 7.389 7.209 ( -6.117 0.000 -10.058) 11.772 7.209 ( 6.117 0.000 -10.058) 11.772 7.360 ( -9.029 0.000 -8.476) 12.384 7.360 ( 9.029 0.000 -8.476) 12.384 7.540 ( -20.592 0.000 10.558) 23.140 7.540 ( 20.592 0.000 10.558) 23.141 7.845 ( -10.361 0.000 10.598) 14.821 7.845 ( 10.361 0.000 10.598) 14.821 8.164 ( -6.898 0.000 -14.506) 16.062 8.164 ( 6.898 0.000 -14.506) 16.062 8.536 ( -1.235 0.000 6.368) 6.487 8.536 ( 1.235 0.000 6.368) 6.487 8.838 ( -7.164 0.000 -0.258) 7.169 8.838 ( 7.164 0.000 -0.258) 7.169 8.855 ( -6.800 0.000 -5.544) 8.774 8.855 ( 6.800 0.000 -5.544) 8.774 9.105 ( -3.994 0.000 7.743) 8.713 9.105 ( 3.994 0.000 7.743) 8.713 9.619 ( -2.505 0.000 -5.776) 6.296 9.619 ( 2.505 0.000 -5.776) 6.296 9.888 ( -4.589 0.000 -18.726) 19.280 9.888 ( 4.589 0.000 -18.726) 19.280 10.052 ( -12.971 0.000 -6.426) 14.476 10.052 ( 12.971 0.000 -6.426) 14.476 10.441 ( -5.213 0.000 -20.367) 21.023 10.441 ( 5.213 0.000 -20.367) 21.023 10.733 ( -17.934 0.000 9.529) 20.308 10.733 ( 17.934 0.000 9.529) 20.308 11.136 ( -9.030 0.000 -8.275) 12.248 11.136 ( 9.030 0.000 -8.275) 12.248 11.486 ( -1.704 0.000 3.066) 3.508 11.486 ( 1.704 0.000 3.066) 3.508 11.941 ( -11.277 0.000 5.304) 12.462 11.941 ( 11.277 0.000 5.304) 12.462 12.283 ( -5.224 0.000 0.760) 5.279 12.283 ( 5.224 0.000 0.760) 5.279 12.327 ( -11.637 0.000 1.196) 11.699 12.327 ( 11.637 0.000 1.196) 11.699 12.637 ( -3.334 0.000 2.636) 4.250 12.637 ( 3.334 0.000 2.636) 4.250 13.016 ( -3.380 0.000 0.539) 3.423 13.016 ( 3.380 0.000 0.539) 3.423 13.658 ( -24.327 0.000 11.530) 26.921 13.658 ( 24.327 0.000 11.530) 26.921 14.634 ( -18.422 0.000 -6.226) 19.445 14.634 ( 18.422 0.000 -6.226) 19.445 15.577 ( -18.047 0.000 10.454) 20.857 15.577 ( 18.047 0.000 10.454) 20.857 15.635 ( -11.975 0.000 11.652) 16.708 15.635 ( 11.975 0.000 11.652) 16.708 15.833 ( -9.312 0.000 2.407) 9.618 15.833 ( 9.312 0.000 2.407) 9.618 16.039 ( -16.499 0.000 -10.346) 19.474 16.039 ( 16.499 0.000 -10.346) 19.474 16.774 ( -6.093 0.000 5.690) 8.337 16.774 ( 6.093 0.000 5.690) 8.337 16.932 ( -9.252 0.000 1.682) 9.403 16.932 ( 9.252 0.000 1.682) 9.403 17.317 ( -3.665 0.000 -2.119) 4.234 17.317 ( 3.665 0.000 -2.119) 4.234 17.418 ( -6.433 0.000 -5.331) 8.355 17.418 ( 6.433 0.000 -5.331) 8.355 17.569 ( -9.694 0.000 -1.748) 9.851 17.569 ( 9.694 0.000 -1.748) 9.851 17.581 ( -0.541 0.000 2.102) 2.170 17.581 ( 0.541 0.000 2.102) 2.170 17.768 ( -8.738 0.000 -3.185) 9.301 17.768 ( 8.738 0.000 -3.185) 9.301 18.346 ( -3.554 0.000 -6.804) 7.676 18.346 ( 3.554 0.000 -6.804) 7.676 19.139 ( -3.674 0.000 0.772) 3.754 19.139 ( 3.674 0.000 0.772) 3.754 20.130 ( -2.132 0.000 4.611) 5.080 20.130 ( 2.132 0.000 4.611) 5.080 20.291 ( -3.263 0.000 -1.607) 3.637 20.291 ( 3.263 0.000 -1.607) 3.637 20.464 ( -2.353 0.000 -0.198) 2.361 20.464 ( 2.353 0.000 -0.198) 2.361 20.646 ( -0.630 0.000 0.149) 0.648 20.646 ( 0.630 0.000 0.149) 0.648 20.889 ( -3.352 0.000 -0.539) 3.395 20.889 ( 3.352 0.000 -0.539) 3.395 20.989 ( -2.182 0.000 -2.027) 2.978 20.989 ( 2.182 0.000 -2.027) 2.978 21.144 ( -3.149 0.000 -1.887) 3.671 21.144 ( 3.149 0.000 -1.887) 3.671 21.193 ( -6.380 0.000 5.077) 8.154 21.193 ( 6.380 0.000 5.077) 8.154 21.575 ( -3.153 0.000 -10.660) 11.117 21.575 ( 3.153 0.000 -10.660) 11.117 21.876 ( -5.277 0.000 10.531) 11.779 21.876 ( 5.277 0.000 10.531) 11.779 22.345 ( -6.029 0.000 -10.571) 12.170 22.345 ( 6.029 0.000 -10.571) 12.170 22.402 ( -3.490 0.000 2.488) 4.286 22.402 ( 3.490 0.000 2.488) 4.286 22.736 ( -6.122 0.000 7.698) 9.836 22.736 ( 6.122 0.000 7.698) 9.836 22.939 ( -3.683 0.000 0.315) 3.696 22.939 ( 3.683 0.000 0.315) 3.696 23.194 ( -8.886 0.000 -7.397) 11.562 23.194 ( 8.886 0.000 -7.397) 11.562 23.380 ( -6.409 0.000 0.461) 6.426 23.380 ( 6.409 0.000 0.461) 6.426 23.446 ( -6.869 0.000 1.088) 6.954 23.446 ( 6.869 0.000 1.088) 6.954 23.553 ( -1.052 0.000 7.304) 7.380 23.553 ( 1.052 0.000 7.304) 7.380 23.760 ( -8.067 0.000 2.137) 8.345 23.760 ( 8.067 0.000 2.137) 8.345 24.028 ( -8.342 0.000 3.050) 8.882 24.028 ( 8.342 0.000 3.050) 8.882 24.334 ( -12.247 0.000 3.222) 12.664 24.334 ( 12.247 0.000 3.222) 12.664 24.345 ( -7.890 0.000 -0.334) 7.897 24.345 ( 7.890 0.000 -0.334) 7.897 24.632 ( -14.059 0.000 -4.940) 14.901 24.632 ( 14.059 0.000 -4.940) 14.901 24.763 ( -11.888 0.000 4.614) 12.752 24.763 ( 11.888 0.000 4.614) 12.752 24.813 ( -13.924 0.000 2.620) 14.169 24.813 ( 13.924 0.000 2.620) 14.169 25.961 ( -4.064 0.000 -5.116) 6.533 25.961 ( 4.064 0.000 -5.116) 6.533 26.569 ( -2.175 0.000 -7.724) 8.024 26.569 ( 2.175 0.000 -7.724) 8.024 27.264 ( -0.842 0.000 -0.763) 1.136 27.264 ( 0.842 0.000 -0.763) 1.136 27.345 ( -0.540 0.000 1.502) 1.596 27.345 ( 0.540 0.000 1.502) 1.596 30.341 ( -5.047 0.000 1.123) 5.170 30.341 ( 5.047 0.000 1.123) 5.170 30.904 ( -2.325 0.000 2.733) 3.589 30.904 ( 2.325 0.000 2.733) 3.589 30.928 ( -3.521 0.000 -1.346) 3.769 30.928 ( 3.521 0.000 -1.346) 3.769 31.190 ( -2.709 0.000 0.802) 2.826 31.190 ( 2.709 0.000 0.802) 2.826 31.633 ( -3.508 0.000 4.233) 5.498 31.633 ( 3.508 0.000 4.233) 5.498 31.772 ( -2.456 0.000 -0.422) 2.492 31.772 ( 2.456 0.000 -0.422) 2.492 36.133 ( -3.813 0.000 -1.087) 3.965 36.133 ( 3.813 0.000 -1.087) 3.965 36.303 ( -3.835 0.000 -1.042) 3.974 36.303 ( 3.835 0.000 -1.042) 3.974 37.441 ( -8.715 0.000 -0.229) 8.718 37.441 ( 8.715 0.000 -0.229) 8.718 37.927 ( -9.970 0.000 -7.832) 12.678 37.927 ( 9.970 0.000 -7.832) 12.678 39.956 ( -7.828 0.000 2.370) 8.179 39.956 ( 7.828 0.000 2.370) 8.179 40.009 ( -5.490 0.000 1.421) 5.671 40.009 ( 5.490 0.000 1.421) 5.671 40.200 ( -9.750 0.000 -8.652) 13.035 40.200 ( 9.750 0.000 -8.652) 13.035 40.522 ( -10.802 0.000 -0.859) 10.836 40.522 ( 10.802 0.000 -0.859) 10.836 41.903 ( -8.539 0.000 3.670) 9.294 41.903 ( 8.539 0.000 3.670) 9.294 42.341 ( -7.816 0.000 5.599) 9.614 42.341 ( 7.816 0.000 5.599) 9.614 42.868 ( -5.239 0.000 2.161) 5.667 42.868 ( 5.239 0.000 2.161) 5.667 43.121 ( -5.253 0.000 -9.208) 10.601 43.121 ( 5.253 0.000 -9.208) 10.601 ======================= Grid point 112 (41/60) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 2.273 5.507) 5.958 1.591 ( 0.000 1.193 2.661) 2.917 1.684 ( 0.000 2.560 10.097) 10.416 1.835 ( 0.000 -0.001 0.303) 0.303 1.840 ( 0.000 -0.183 -0.025) 0.185 1.883 ( 0.000 -2.098 -1.627) 2.655 1.994 ( 0.000 2.619 2.133) 3.378 2.026 ( 0.000 3.522 1.692) 3.907 2.262 ( 0.000 1.283 4.302) 4.489 2.296 ( 0.000 -0.226 1.158) 1.180 2.437 ( 0.000 -4.424 17.673) 18.218 2.565 ( 0.000 -9.704 5.430) 11.120 2.702 ( 0.000 -4.979 4.758) 6.887 2.937 ( 0.000 -10.745 4.466) 11.636 3.135 ( 0.000 -2.100 11.725) 11.912 3.250 ( 0.000 -7.170 15.570) 17.142 3.690 ( 0.000 7.841 26.448) 27.586 3.954 ( 0.000 -2.892 21.130) 21.327 4.088 ( 0.000 -7.520 9.337) 11.989 4.260 ( 0.000 4.017 -2.366) 4.662 4.375 ( 0.000 -1.756 -9.546) 9.706 4.424 ( 0.000 -17.492 11.379) 20.867 4.654 ( 0.000 -0.827 -8.104) 8.147 4.692 ( 0.000 -1.992 -2.627) 3.297 5.050 ( 0.000 21.803 6.914) 22.873 5.137 ( 0.000 3.975 4.178) 5.767 5.182 ( 0.000 18.334 -0.988) 18.360 5.303 ( 0.000 25.205 -11.506) 27.707 5.597 ( 0.000 -9.521 10.133) 13.904 5.715 ( 0.000 -0.253 -4.267) 4.274 5.815 ( 0.000 9.214 -10.078) 13.655 5.986 ( 0.000 5.620 -17.781) 18.648 6.031 ( 0.000 -9.721 -14.749) 17.665 6.244 ( 0.000 8.944 13.183) 15.931 6.342 ( 0.000 -5.234 -17.745) 18.501 6.527 ( 0.000 -12.308 -8.272) 14.829 6.682 ( 0.000 1.994 -9.097) 9.313 6.850 ( 0.000 -2.213 -12.494) 12.688 6.875 ( 0.000 -4.341 3.142) 5.359 7.010 ( 0.000 -4.059 -1.401) 4.294 7.048 ( 0.000 13.167 -0.691) 13.185 7.228 ( 0.000 5.980 -3.030) 6.704 7.432 ( 0.000 1.246 6.547) 6.665 7.488 ( 0.000 3.200 3.570) 4.794 7.645 ( 0.000 9.726 -7.849) 12.498 7.891 ( 0.000 -14.209 18.477) 23.309 8.028 ( 0.000 -7.870 -4.250) 8.945 8.180 ( 0.000 -18.103 24.258) 30.268 8.422 ( 0.000 -8.910 13.003) 15.763 8.657 ( 0.000 2.931 -4.965) 5.765 8.725 ( 0.000 7.768 2.762) 8.245 8.946 ( 0.000 -0.018 3.361) 3.361 8.953 ( 0.000 -2.930 -22.666) 22.854 9.077 ( 0.000 -16.058 -13.923) 21.254 9.368 ( 0.000 9.614 -3.759) 10.323 9.463 ( 0.000 7.016 -1.348) 7.145 9.539 ( 0.000 1.926 -13.354) 13.492 9.705 ( 0.000 -2.903 1.501) 3.268 9.750 ( 0.000 11.533 -13.071) 17.432 9.801 ( 0.000 5.390 1.751) 5.667 9.890 ( 0.000 -3.845 -5.726) 6.897 10.084 ( 0.000 -11.857 3.598) 12.391 10.350 ( 0.000 4.701 -6.293) 7.855 10.415 ( 0.000 -1.546 -8.383) 8.524 10.610 ( 0.000 11.358 -10.805) 15.677 10.797 ( 0.000 2.699 -11.510) 11.823 11.110 ( 0.000 -8.714 -5.957) 10.555 11.162 ( 0.000 -4.348 -5.441) 6.965 11.512 ( 0.000 -9.399 1.149) 9.469 11.622 ( 0.000 -10.081 -2.835) 10.472 11.904 ( 0.000 7.026 2.206) 7.364 11.909 ( 0.000 -1.261 6.679) 6.797 12.102 ( 0.000 7.913 12.414) 14.722 12.350 ( 0.000 -8.887 10.503) 13.758 12.645 ( 0.000 7.308 0.391) 7.319 12.795 ( 0.000 -0.778 3.729) 3.809 12.851 ( 0.000 0.894 2.048) 2.235 12.977 ( 0.000 -9.295 -1.095) 9.359 13.188 ( 0.000 11.864 15.732) 19.704 13.474 ( 0.000 11.792 1.369) 11.871 13.560 ( 0.000 1.330 3.456) 3.703 13.621 ( 0.000 0.898 -6.034) 6.100 14.491 ( 0.000 -3.226 3.525) 4.778 14.553 ( 0.000 -13.535 -3.743) 14.043 14.814 ( 0.000 5.133 7.118) 8.776 15.038 ( 0.000 8.280 7.799) 11.375 15.089 ( 0.000 11.860 -4.122) 12.556 15.191 ( 0.000 -5.450 1.707) 5.711 15.760 ( 0.000 -5.841 8.514) 10.325 15.776 ( 0.000 -10.028 14.222) 17.401 16.460 ( 0.000 4.443 -7.263) 8.514 16.562 ( 0.000 -3.425 6.230) 7.110 16.726 ( 0.000 -3.041 -3.545) 4.671 16.744 ( 0.000 -4.812 -1.473) 5.032 16.925 ( 0.000 4.145 1.846) 4.538 16.987 ( 0.000 7.791 -3.922) 8.722 17.029 ( 0.000 -4.301 -0.455) 4.325 17.176 ( 0.000 0.390 -6.671) 6.682 17.358 ( 0.000 2.488 -1.162) 2.746 17.433 ( 0.000 1.294 -5.069) 5.232 17.710 ( 0.000 -6.001 4.016) 7.221 17.871 ( 0.000 -10.580 -2.689) 10.916 18.099 ( 0.000 7.564 5.583) 9.401 18.315 ( 0.000 -0.002 -3.803) 3.803 18.452 ( 0.000 -3.548 3.997) 5.344 18.466 ( 0.000 -8.591 0.052) 8.591 18.545 ( 0.000 8.511 7.930) 11.633 18.719 ( 0.000 4.779 1.529) 5.018 18.900 ( 0.000 10.408 -3.835) 11.092 18.999 ( 0.000 8.830 -8.980) 12.594 19.877 ( 0.000 -6.039 11.707) 13.172 20.126 ( 0.000 -10.896 -0.683) 10.918 20.220 ( 0.000 4.797 3.325) 5.837 20.344 ( 0.000 1.349 1.749) 2.209 20.347 ( 0.000 -0.626 -2.853) 2.920 20.401 ( 0.000 -0.476 -2.338) 2.386 20.420 ( 0.000 2.209 -0.683) 2.313 20.515 ( 0.000 -2.356 -5.484) 5.969 20.604 ( 0.000 -5.736 -2.182) 6.137 20.649 ( 0.000 -4.845 -4.373) 6.526 20.876 ( 0.000 0.532 -2.259) 2.321 20.900 ( 0.000 1.146 -3.452) 3.637 20.988 ( 0.000 0.468 1.469) 1.542 21.085 ( 0.000 11.492 1.175) 11.552 21.104 ( 0.000 0.392 -5.277) 5.292 21.180 ( 0.000 1.700 -4.828) 5.119 21.508 ( 0.000 -2.500 3.996) 4.714 21.597 ( 0.000 -3.106 -0.989) 3.260 21.638 ( 0.000 -2.015 -3.913) 4.401 21.708 ( 0.000 -1.374 -4.763) 4.957 21.983 ( 0.000 8.186 6.015) 10.159 22.251 ( 0.000 -4.762 -6.027) 7.681 22.351 ( 0.000 2.195 1.472) 2.642 22.507 ( 0.000 -8.655 -4.632) 9.817 22.624 ( 0.000 -2.043 -2.607) 3.312 22.637 ( 0.000 3.303 1.415) 3.593 22.924 ( 0.000 -0.494 -3.815) 3.847 22.965 ( 0.000 5.976 -3.225) 6.791 23.102 ( 0.000 -1.722 4.463) 4.783 23.156 ( 0.000 -5.088 2.034) 5.480 23.292 ( 0.000 6.370 9.957) 11.820 23.297 ( 0.000 4.284 6.608) 7.875 23.422 ( 0.000 3.297 -0.017) 3.297 23.477 ( 0.000 0.361 -0.414) 0.549 23.538 ( 0.000 -1.043 -0.450) 1.136 23.582 ( 0.000 -7.798 1.709) 7.983 23.632 ( 0.000 -2.509 2.738) 3.713 23.758 ( 0.000 -5.825 -8.202) 10.060 23.944 ( 0.000 8.533 1.503) 8.664 23.981 ( 0.000 1.419 3.069) 3.381 24.150 ( 0.000 0.763 -4.935) 4.994 24.157 ( 0.000 5.200 -7.489) 9.117 24.667 ( 0.000 2.223 5.971) 6.372 24.696 ( 0.000 -3.037 20.452) 20.676 24.731 ( 0.000 -6.277 5.510) 8.352 24.858 ( 0.000 -1.943 9.348) 9.548 25.137 ( 0.000 -1.439 -3.131) 3.445 25.169 ( 0.000 -2.267 -0.421) 2.305 25.413 ( 0.000 12.730 -5.889) 14.026 25.834 ( 0.000 3.782 2.530) 4.550 25.929 ( 0.000 -6.788 -17.660) 18.920 26.043 ( 0.000 -3.281 -0.351) 3.300 26.149 ( 0.000 2.200 -0.558) 2.270 26.247 ( 0.000 -2.960 -4.683) 5.540 27.136 ( 0.000 -3.790 2.130) 4.348 27.181 ( 0.000 -2.504 0.324) 2.525 27.324 ( 0.000 1.054 3.168) 3.339 27.371 ( 0.000 0.714 -0.286) 0.769 30.084 ( 0.000 -3.910 5.657) 6.877 30.191 ( 0.000 -9.332 -0.375) 9.340 30.959 ( 0.000 12.065 1.612) 12.172 30.974 ( 0.000 9.075 1.558) 9.208 31.142 ( 0.000 0.092 3.328) 3.329 31.161 ( 0.000 0.739 2.512) 2.619 31.231 ( 0.000 4.042 0.396) 4.061 31.280 ( 0.000 -0.281 -1.127) 1.161 31.336 ( 0.000 -1.903 0.284) 1.924 31.349 ( 0.000 2.665 -1.712) 3.168 31.629 ( 0.000 -5.049 1.867) 5.383 31.638 ( 0.000 -7.864 1.126) 7.945 35.902 ( 0.000 2.238 -2.728) 3.529 35.914 ( 0.000 0.799 -4.067) 4.145 36.044 ( 0.000 0.579 -3.067) 3.121 36.128 ( 0.000 -2.189 -6.647) 6.998 37.309 ( 0.000 2.114 13.700) 13.863 37.511 ( 0.000 -9.037 10.781) 14.067 37.980 ( 0.000 10.988 -7.395) 13.245 38.280 ( 0.000 -3.792 -15.287) 15.750 39.546 ( 0.000 -0.501 3.107) 3.147 39.599 ( 0.000 -3.474 0.939) 3.598 39.790 ( 0.000 7.525 -2.976) 8.092 39.883 ( 0.000 2.678 -7.739) 8.189 40.437 ( 0.000 0.866 6.643) 6.699 40.591 ( 0.000 -7.040 0.823) 7.088 40.737 ( 0.000 4.790 -0.919) 4.877 40.879 ( 0.000 0.514 -9.608) 9.621 41.265 ( 0.000 6.923 8.444) 10.919 41.575 ( 0.000 -6.498 -5.179) 8.309 42.403 ( 0.000 8.675 3.845) 9.489 42.802 ( 0.000 -8.115 -13.271) 15.556 42.996 ( 0.000 1.970 5.133) 5.498 43.096 ( 0.000 -1.529 4.690) 4.933 43.230 ( 0.000 2.811 2.300) 3.632 43.349 ( 0.000 -2.543 -9.254) 9.597 ======================= Grid point 113 (42/60) ======================= q-point: ( 0.17 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 3.767 1.356 3.700) 5.451 1.620 ( 3.014 0.662 2.921) 4.249 1.737 ( 4.258 2.191 7.307) 8.737 1.836 ( 0.147 0.196 0.435) 0.500 1.849 ( 0.778 -0.610 0.043) 0.990 1.881 ( -0.185 -2.401 -0.737) 2.518 1.982 ( -1.317 3.148 1.342) 3.667 1.996 ( -2.505 3.185 2.297) 4.658 2.255 ( -0.090 2.585 6.069) 6.597 2.317 ( 1.982 -0.176 0.954) 2.207 2.458 ( 2.620 -1.431 13.321) 13.651 2.566 ( -0.811 -4.992 4.935) 7.066 2.742 ( 4.682 -3.554 6.667) 8.888 2.986 ( 2.324 -13.631 2.234) 14.007 3.031 ( -3.535 -0.387 14.650) 15.075 3.266 ( 5.984 -14.674 16.005) 22.524 3.688 ( 1.306 5.838 19.989) 20.865 4.045 ( -0.092 -12.028 6.932) 13.883 4.146 ( -9.790 3.938 -1.227) 10.623 4.323 ( 12.904 -0.748 5.184) 13.926 4.376 ( -0.013 -2.616 -11.492) 11.786 4.474 ( -8.524 -2.368 -10.695) 13.880 4.679 ( 9.083 2.191 3.532) 9.989 4.757 ( 10.021 0.718 7.249) 12.389 5.000 ( -5.887 6.007 -3.789) 9.224 5.124 ( 6.610 19.886 4.672) 21.470 5.177 ( -2.919 7.918 -2.531) 8.810 5.361 ( -5.461 -7.162 6.624) 11.180 5.512 ( 1.060 10.008 -3.562) 10.675 5.625 ( -4.873 -0.465 2.954) 5.717 5.720 ( -9.507 -10.115 -5.869) 15.071 5.774 ( 1.562 -0.435 -1.280) 2.066 6.182 ( 13.102 8.920 -9.454) 18.456 6.285 ( 1.954 15.169 6.855) 16.760 6.447 ( -9.933 -1.951 0.677) 10.146 6.510 ( 8.742 3.712 -17.892) 20.256 6.675 ( -1.104 8.072 0.874) 8.194 6.897 ( -0.470 -3.141 -3.809) 4.959 6.966 ( 5.038 6.147 5.978) 9.945 7.062 ( 10.765 -0.640 -9.489) 14.364 7.156 ( 2.342 -8.238 -0.028) 8.564 7.179 ( -1.681 1.572 3.865) 4.498 7.503 ( 13.664 4.532 -11.064) 18.157 7.664 ( 4.162 6.948 -2.596) 8.505 7.691 ( 12.185 -1.740 -7.349) 14.336 7.832 ( -4.218 -11.464 10.395) 16.040 8.027 ( 1.401 -7.392 4.063) 8.551 8.172 ( -1.765 -17.454 13.552) 22.168 8.404 ( -1.843 -4.581 13.822) 14.677 8.627 ( -10.719 7.640 -11.253) 17.318 8.804 ( 6.168 -10.601 1.592) 12.368 8.913 ( 5.767 2.168 5.015) 7.944 8.979 ( -4.228 -6.992 -14.887) 16.982 9.057 ( 0.174 -7.059 -7.506) 10.305 9.245 ( -8.868 7.738 4.259) 12.516 9.384 ( -10.090 5.380 -3.406) 11.931 9.505 ( 0.716 3.943 -10.269) 11.023 9.605 ( -7.461 12.821 -8.140) 16.920 9.680 ( -3.116 -5.010 -2.579) 6.439 9.845 ( -2.307 -0.703 -5.077) 5.621 9.910 ( 3.794 1.111 -7.569) 8.539 10.127 ( 3.077 -13.633 3.287) 14.358 10.301 ( -2.117 3.767 -16.235) 16.801 10.414 ( -0.187 -0.069 -8.185) 8.187 10.638 ( 3.314 13.482 -8.015) 16.031 10.861 ( 5.319 2.308 -11.755) 13.107 11.131 ( 0.948 -6.154 -2.449) 6.691 11.217 ( 3.564 -2.957 -5.657) 7.311 11.488 ( -2.533 -8.913 4.369) 10.244 11.588 ( -2.719 -2.931 -0.760) 4.070 11.810 ( -3.801 2.307 5.095) 6.763 12.053 ( 6.924 -4.340 1.796) 8.367 12.114 ( -7.027 -4.029 5.626) 9.863 12.279 ( 2.360 -0.650 7.697) 8.076 12.581 ( -5.941 5.320 4.690) 9.251 12.706 ( -9.516 -4.657 4.439) 11.487 12.858 ( 2.225 0.476 4.034) 4.632 13.027 ( 1.353 -10.208 0.540) 10.311 13.096 ( -6.519 14.957 10.886) 19.614 13.377 ( -16.836 7.925 -3.217) 18.884 13.485 ( -2.237 12.495 0.223) 12.695 13.552 ( -0.129 4.141 1.332) 4.352 14.598 ( 9.349 -10.907 3.851) 14.873 14.695 ( 10.172 -8.893 -0.316) 13.515 14.946 ( 6.754 6.269 11.161) 14.474 15.058 ( 10.795 5.436 3.120) 12.483 15.154 ( 1.021 1.384 2.110) 2.722 15.267 ( 10.876 4.172 -0.147) 11.650 15.677 ( -1.049 -10.101 10.547) 14.641 15.885 ( 3.300 -12.508 4.067) 13.560 16.288 ( -10.003 8.987 3.017) 13.782 16.661 ( -4.744 4.069 -7.322) 9.627 16.709 ( 4.922 -5.080 -1.745) 7.286 16.750 ( 3.068 -3.058 -2.800) 5.158 16.886 ( -5.537 8.937 -1.841) 10.674 17.028 ( 7.884 1.321 3.657) 8.791 17.064 ( -0.051 -1.510 -3.440) 3.758 17.196 ( 2.188 -1.266 -5.586) 6.132 17.350 ( -0.747 2.405 0.094) 2.520 17.417 ( -0.799 3.262 -2.925) 4.453 17.692 ( -1.959 -3.742 4.480) 6.157 17.813 ( -8.969 -6.097 0.940) 10.886 17.921 ( -14.448 2.809 3.075) 15.036 18.079 ( -15.494 -8.431 -3.526) 17.988 18.262 ( -11.644 -4.801 4.404) 13.343 18.339 ( -7.971 -6.212 -2.589) 10.432 18.529 ( -11.985 4.364 2.252) 12.952 18.690 ( -18.853 -0.979 -3.431) 19.188 18.986 ( 13.421 19.621 -0.749) 23.784 19.045 ( 11.314 13.111 -2.126) 17.448 19.938 ( 2.739 -8.371 8.520) 12.254 20.045 ( -5.535 -8.422 2.245) 10.325 20.203 ( 1.372 3.778 1.243) 4.207 20.341 ( 2.764 -1.241 -1.847) 3.549 20.374 ( 0.390 0.298 -1.187) 1.284 20.449 ( -1.835 -2.947 -2.746) 4.427 20.493 ( 7.099 0.002 -1.323) 7.222 20.552 ( 7.201 -3.380 -2.503) 8.340 20.694 ( 5.139 -2.475 -2.310) 6.154 20.713 ( 6.853 -3.174 -3.721) 8.419 20.901 ( 2.364 1.122 -1.561) 3.047 20.941 ( 2.514 0.543 -2.655) 3.696 21.007 ( 1.977 0.713 0.533) 2.168 21.056 ( 1.609 3.622 -0.360) 3.980 21.197 ( 1.789 4.860 -2.467) 5.736 21.234 ( 7.246 5.418 -1.339) 9.146 21.511 ( -5.076 -6.962 0.127) 8.617 21.583 ( -1.565 -5.181 -2.395) 5.919 21.733 ( 8.907 1.464 -2.719) 9.427 21.745 ( 9.576 -0.371 -2.265) 9.847 21.989 ( 1.594 9.302 4.329) 10.383 22.267 ( 1.685 -3.870 -5.709) 7.100 22.398 ( 3.322 -0.759 0.090) 3.409 22.513 ( -0.971 -7.181 -5.017) 8.814 22.601 ( -0.767 3.789 4.062) 5.607 22.683 ( 5.165 -2.156 -2.111) 5.982 22.922 ( -2.017 0.807 -0.729) 2.292 22.975 ( -0.193 4.302 -1.887) 4.702 23.077 ( -2.238 -1.064 5.826) 6.332 23.167 ( 1.075 -5.006 1.867) 5.450 23.231 ( 3.077 7.245 4.911) 9.278 23.430 ( 3.357 1.933 2.870) 4.821 23.456 ( 2.707 0.868 1.925) 3.433 23.481 ( 1.411 2.185 -0.457) 2.641 23.552 ( 1.661 0.248 0.709) 1.822 23.585 ( 0.240 -0.820 1.053) 1.356 23.661 ( 3.130 -4.314 3.160) 6.196 23.786 ( 3.475 -5.555 -6.367) 9.136 23.918 ( 0.027 3.916 1.756) 4.292 24.047 ( 4.140 0.942 1.525) 4.512 24.111 ( -2.641 3.179 -4.360) 6.008 24.202 ( 3.115 3.434 -4.409) 6.397 24.571 ( -9.164 -1.458 11.399) 14.698 24.591 ( -6.281 -4.257 4.200) 8.672 24.659 ( -9.391 -1.526 7.344) 12.019 24.824 ( -3.939 -0.872 8.926) 9.795 24.986 ( -15.410 -0.585 -3.491) 15.812 25.091 ( -7.798 -4.206 0.475) 8.872 25.293 ( -9.146 8.626 0.523) 12.583 25.544 ( -22.022 -3.379 -1.144) 22.309 25.887 ( 3.416 7.214 2.243) 8.291 26.103 ( 1.338 2.442 -6.755) 7.307 26.308 ( 5.144 -3.237 -5.661) 8.306 26.317 ( 8.554 -4.794 -9.747) 13.826 27.167 ( 2.812 -3.335 1.705) 4.684 27.208 ( 2.371 -2.655 0.050) 3.561 27.335 ( 0.963 1.487 2.255) 2.868 27.375 ( 0.237 1.006 -0.378) 1.101 30.125 ( 4.061 -2.717 5.229) 7.157 30.240 ( 4.665 -8.682 -0.859) 9.894 30.861 ( -8.534 2.361 1.396) 8.964 30.894 ( -6.658 -0.051 0.126) 6.659 31.125 ( 0.424 9.300 3.613) 9.986 31.173 ( 1.670 6.574 3.251) 7.522 31.237 ( -0.580 6.032 -0.543) 6.084 31.305 ( 1.288 4.362 -1.686) 4.851 31.393 ( 6.087 -0.423 2.053) 6.438 31.474 ( 8.323 -3.372 -1.246) 9.066 31.627 ( 0.032 -6.980 2.573) 7.439 31.667 ( 2.471 -6.945 0.696) 7.405 35.922 ( 3.816 2.353 -0.868) 4.566 36.000 ( 6.306 -0.660 -4.051) 7.524 36.095 ( 4.867 1.489 -3.283) 6.057 36.199 ( 5.874 -2.354 -7.166) 9.560 37.312 ( 0.667 2.676 12.320) 12.625 37.529 ( 2.100 -8.797 7.709) 11.884 37.918 ( -5.975 9.693 -6.096) 12.916 38.219 ( -6.122 -4.880 -14.631) 16.594 39.633 ( 8.328 -0.176 3.338) 8.973 39.683 ( 7.465 -3.113 1.282) 8.189 39.837 ( 5.091 6.848 -4.106) 9.469 39.915 ( 3.302 2.613 -7.695) 8.772 40.418 ( -1.999 0.571 6.904) 7.211 40.474 ( -10.260 0.454 3.052) 10.714 40.663 ( -7.551 1.103 -4.841) 9.037 40.781 ( -6.979 -3.132 -9.344) 12.076 41.427 ( 13.675 6.836 8.352) 17.421 41.700 ( 10.656 -5.535 -3.220) 12.432 42.361 ( -3.955 7.723 4.067) 9.583 42.714 ( -8.582 -6.021 -8.225) 13.325 42.973 ( -2.527 -0.407 3.947) 4.704 43.036 ( -4.210 -0.619 3.395) 5.444 43.186 ( -4.618 2.789 0.878) 5.466 43.312 ( -3.864 -2.708 -9.870) 10.940 ======================= Grid point 114 (43/60) ======================= q-point: ( 0.33 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 4.868 -0.112 2.582) 5.512 1.703 ( 4.717 -0.308 2.313) 5.263 1.800 ( 1.571 0.019 3.037) 3.419 1.840 ( 0.116 0.314 0.707) 0.782 1.862 ( -0.959 -2.102 0.994) 2.515 1.877 ( 1.125 -0.908 -0.167) 1.456 1.930 ( -3.468 2.425 1.884) 4.632 1.956 ( -1.810 1.321 -0.625) 2.326 2.293 ( 4.422 2.190 5.248) 7.203 2.370 ( 3.514 -1.026 0.730) 3.733 2.490 ( -0.941 -0.333 4.965) 5.064 2.532 ( -3.079 -1.933 1.694) 4.011 2.928 ( 13.630 -2.827 6.007) 15.161 3.036 ( 7.987 -4.377 9.511) 13.168 3.110 ( 11.312 0.246 8.040) 13.881 3.476 ( 7.396 -14.911 3.329) 16.974 3.662 ( -9.987 0.658 10.725) 14.670 3.876 ( -11.158 8.745 5.068) 15.055 4.038 ( -0.248 -6.025 8.042) 10.052 4.116 ( -19.600 9.698 -10.840) 24.407 4.279 ( -7.960 -2.160 -7.030) 10.838 4.430 ( 4.685 -15.768 -8.054) 18.315 4.753 ( -13.889 -10.336 -0.588) 17.323 4.841 ( -8.045 -10.535 -5.620) 14.398 4.944 ( 7.366 10.916 2.340) 13.375 5.061 ( -1.122 5.998 -1.607) 6.310 5.337 ( -1.213 -13.711 -2.292) 13.954 5.368 ( 9.640 11.409 3.562) 15.355 5.441 ( 3.482 -0.160 -1.195) 3.685 5.771 ( 17.416 8.527 16.102) 25.205 5.805 ( 14.298 1.944 -1.855) 14.548 6.040 ( 8.616 10.672 9.228) 16.532 6.196 ( -6.650 2.329 8.949) 11.389 6.265 ( 3.620 14.747 3.952) 15.690 6.478 ( -2.967 8.624 -4.484) 10.163 6.517 ( -8.477 4.194 4.896) 10.650 6.720 ( 13.006 12.676 1.506) 18.224 6.767 ( 1.836 8.558 3.247) 9.336 7.096 ( 9.545 -0.196 5.522) 11.029 7.229 ( 12.936 3.173 3.447) 13.758 7.284 ( 5.381 -7.835 -10.355) 14.055 7.289 ( 3.335 -3.057 -5.894) 7.430 7.588 ( -11.323 -0.782 -3.888) 11.997 7.694 ( 2.019 -0.816 -0.962) 2.381 7.821 ( 5.833 6.969 -6.059) 10.923 7.923 ( -0.562 -12.107 -6.213) 13.620 8.055 ( -5.940 -10.695 5.327) 13.343 8.195 ( 12.386 -12.289 -1.342) 17.500 8.342 ( -13.310 3.792 -11.399) 17.929 8.365 ( -0.364 -3.172 14.264) 14.617 8.719 ( -10.614 -13.351 -0.588) 17.066 8.811 ( -8.546 -13.152 -6.331) 16.914 9.054 ( -4.003 6.571 -1.078) 7.769 9.089 ( 2.088 7.810 8.782) 11.937 9.144 ( 1.493 0.864 -4.940) 5.233 9.357 ( -0.814 8.776 4.677) 9.978 9.397 ( 2.398 7.959 -4.375) 9.393 9.554 ( -0.759 4.338 -9.482) 10.455 9.654 ( 1.722 -14.218 -14.758) 20.565 9.825 ( 0.945 -4.984 -11.473) 12.544 9.986 ( 4.583 3.302 -8.510) 10.214 10.208 ( 6.766 -13.527 4.609) 15.811 10.336 ( 4.048 1.640 -18.165) 18.683 10.355 ( -6.633 2.166 -9.581) 11.853 10.726 ( 4.931 15.420 -6.721) 17.529 10.957 ( 3.737 0.506 -12.201) 12.771 11.112 ( -5.898 -0.548 -0.250) 5.929 11.188 ( -5.348 -3.747 -3.408) 7.366 11.432 ( -1.520 -5.935 6.539) 8.960 11.529 ( -3.480 1.262 1.599) 4.032 11.793 ( 2.563 -2.484 4.083) 5.423 11.982 ( -0.443 -8.019 -0.322) 8.037 12.134 ( 1.101 -4.264 3.436) 5.586 12.331 ( -3.839 -8.208 -1.915) 9.261 12.369 ( -13.399 1.971 8.066) 15.763 12.448 ( -13.905 -3.524 3.746) 14.825 12.886 ( -6.768 12.777 8.677) 16.862 12.978 ( -0.651 -1.082 5.337) 5.484 13.012 ( -3.819 7.043 2.686) 8.450 13.087 ( -6.062 5.878 -1.180) 8.526 13.471 ( 6.182 17.795 5.020) 19.495 13.766 ( 18.178 1.389 -6.510) 19.358 14.498 ( -14.658 -3.357 9.576) 17.827 14.802 ( -8.483 -14.969 -3.427) 17.543 15.188 ( 18.854 1.990 8.861) 20.928 15.289 ( 16.869 2.073 11.059) 20.277 15.425 ( 20.141 0.713 2.916) 20.364 15.557 ( 17.334 -1.481 -0.468) 17.404 15.710 ( 3.145 -8.823 7.169) 11.795 15.849 ( -6.047 -11.991 0.628) 13.444 16.123 ( -9.165 12.013 4.358) 15.726 16.435 ( -15.534 3.388 -7.996) 17.797 16.733 ( -2.318 6.710 1.711) 7.303 16.817 ( 1.244 2.029 -2.490) 3.445 16.923 ( 2.720 3.770 -0.570) 4.684 17.063 ( 11.413 -2.458 -7.558) 13.908 17.209 ( 2.460 0.505 2.393) 3.469 17.246 ( 3.580 -0.722 -0.621) 3.704 17.322 ( -4.189 1.316 0.075) 4.391 17.390 ( 2.034 4.198 -0.778) 4.729 17.555 ( -7.516 -5.601 2.876) 9.804 17.605 ( -8.069 -4.327 1.173) 9.231 17.748 ( -8.735 3.522 0.861) 9.457 17.793 ( -8.117 -1.551 -1.090) 8.335 18.011 ( -15.174 0.873 2.165) 15.353 18.137 ( -18.192 -2.834 -5.788) 19.300 18.240 ( -12.779 -8.402 -1.737) 15.392 18.302 ( -12.099 -7.428 -6.884) 15.778 19.204 ( 8.701 19.348 1.317) 21.255 19.263 ( 7.693 15.272 -0.720) 17.115 19.957 ( 1.088 -11.802 4.080) 12.535 20.001 ( -0.049 -12.456 2.377) 12.681 20.268 ( 3.877 3.617 1.108) 5.417 20.360 ( -0.643 1.470 -2.854) 3.274 20.400 ( 1.579 -1.201 0.595) 2.071 20.431 ( -0.170 -4.982 -0.638) 5.026 20.630 ( 5.970 0.812 -0.089) 6.026 20.670 ( 4.389 0.938 -1.534) 4.742 20.786 ( 3.455 -0.409 -0.860) 3.584 20.834 ( 4.044 -2.723 -3.792) 6.176 20.948 ( 2.979 1.690 -0.940) 3.552 20.991 ( 2.251 0.023 -1.855) 2.917 21.058 ( 2.472 -0.454 0.615) 2.587 21.099 ( 1.458 -1.198 -0.895) 2.088 21.230 ( 1.004 5.365 1.070) 5.562 21.324 ( 0.260 3.370 1.866) 3.861 21.433 ( 0.049 -6.251 -4.462) 7.681 21.538 ( -1.542 -4.713 -6.128) 7.883 21.892 ( 6.384 7.028 6.664) 11.600 21.952 ( 6.942 5.891 1.706) 9.264 22.117 ( 10.715 0.002 -3.814) 11.374 22.335 ( 5.237 -0.838 -6.793) 8.618 22.438 ( -4.071 -6.660 -0.199) 7.808 22.448 ( 1.222 0.542 -3.424) 3.676 22.647 ( 2.902 2.326 6.819) 7.767 22.770 ( -0.484 -5.775 0.228) 5.800 22.845 ( -0.803 3.243 2.473) 4.157 22.926 ( -2.764 -0.898 2.015) 3.537 23.115 ( 4.569 2.074 -0.514) 5.044 23.199 ( 1.825 -5.226 0.985) 5.622 23.335 ( 5.231 5.250 0.801) 7.454 23.414 ( -3.995 2.223 -2.878) 5.403 23.466 ( 0.792 -0.522 1.544) 1.812 23.478 ( -2.489 -0.343 1.141) 2.759 23.610 ( 3.708 4.725 3.346) 6.876 23.675 ( 4.365 4.457 6.706) 9.159 23.701 ( 2.509 3.929 1.436) 4.878 23.874 ( 4.230 -3.365 1.008) 5.499 23.983 ( -5.203 4.705 -2.757) 7.537 24.009 ( 6.637 -5.239 0.431) 8.466 24.175 ( 3.588 0.122 -1.389) 3.850 24.221 ( -0.702 -2.083 1.111) 2.463 24.396 ( -11.543 -6.920 4.007) 14.042 24.407 ( -6.304 -4.896 5.611) 9.757 24.528 ( -2.284 -2.100 0.005) 3.103 24.623 ( -16.554 -3.044 -3.421) 17.175 24.763 ( -1.051 4.626 4.762) 6.722 24.890 ( -9.461 -2.713 1.084) 9.901 25.099 ( -11.206 5.933 5.173) 13.694 25.178 ( -15.530 2.039 4.189) 16.214 25.963 ( 4.006 8.501 -2.573) 9.743 26.097 ( -1.995 6.372 -7.572) 10.096 26.411 ( 4.682 -6.086 -6.336) 9.955 26.436 ( 4.049 -9.200 -9.829) 14.059 27.231 ( 3.466 -0.706 0.816) 3.630 27.260 ( 2.635 -0.936 -0.250) 2.807 27.348 ( -0.020 1.352 1.087) 1.735 27.370 ( -0.867 1.091 -0.063) 1.396 30.233 ( 6.663 -0.045 3.946) 7.744 30.348 ( 5.147 -4.857 -1.774) 7.296 30.688 ( -7.755 -5.779 2.092) 9.895 30.754 ( -7.159 -8.315 -1.002) 11.018 31.155 ( 2.232 13.111 3.327) 13.709 31.206 ( 0.847 6.875 3.353) 7.696 31.237 ( 0.961 10.893 -0.442) 10.944 31.306 ( -1.016 8.034 -1.160) 8.180 31.507 ( 4.943 -2.810 3.264) 6.556 31.596 ( 1.952 -6.237 0.883) 6.595 31.648 ( 3.428 -5.454 1.666) 6.654 31.712 ( 1.565 -7.031 0.140) 7.204 36.037 ( 7.082 2.331 0.390) 7.466 36.131 ( 6.084 -0.727 -2.958) 6.804 36.194 ( 4.105 0.752 -2.038) 4.645 36.293 ( 2.433 -2.503 -4.999) 6.096 37.358 ( 4.752 4.373 7.270) 9.724 37.593 ( 2.934 -4.549 -1.986) 5.766 37.776 ( -6.229 3.547 -1.421) 7.308 38.051 ( -10.456 -6.931 -12.010) 17.367 39.833 ( 10.823 0.112 3.726) 11.447 39.835 ( 7.682 0.905 2.271) 8.062 39.988 ( 8.111 2.630 -4.838) 9.803 40.009 ( 5.556 2.266 -6.500) 8.846 40.260 ( -9.469 4.726 1.365) 10.670 40.378 ( -1.240 -1.073 5.611) 5.846 40.460 ( -11.320 2.359 -7.601) 13.838 40.646 ( -7.843 -6.455 -7.255) 12.482 41.722 ( 15.298 6.343 7.868) 18.335 41.915 ( 9.683 -1.847 0.022) 9.858 42.272 ( -4.306 2.542 5.380) 7.345 42.497 ( -12.583 -4.868 -0.498) 13.501 42.891 ( -3.324 2.054 4.909) 6.274 43.013 ( 0.902 -2.346 -4.474) 5.131 43.058 ( -7.356 2.982 -0.530) 7.955 43.206 ( -6.418 -3.158 -9.808) 12.139 ======================= Grid point 115 (44/60) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.426 -0.618 1.983) 2.120 1.774 ( 0.426 -0.618 1.983) 2.120 1.808 ( -1.645 -1.736 1.455) 2.799 1.808 ( 1.645 -1.736 1.455) 2.799 1.866 ( -2.033 1.738 1.564) 3.098 1.866 ( 2.033 1.738 1.564) 3.098 1.917 ( -2.088 -0.639 -0.908) 2.364 1.917 ( 2.088 -0.639 -0.908) 2.364 2.405 ( -5.485 0.439 2.090) 5.886 2.405 ( 5.485 0.439 2.090) 5.886 2.458 ( -3.882 -1.506 0.870) 4.253 2.458 ( 3.882 -1.506 0.870) 4.253 3.208 ( -12.957 -4.166 2.944) 13.925 3.208 ( 12.957 -4.166 2.944) 13.925 3.325 ( -16.929 -5.965 2.453) 18.116 3.325 ( 16.929 -5.965 2.453) 18.116 3.585 ( -18.580 12.862 5.662) 23.296 3.585 ( 18.580 12.862 5.662) 23.296 3.985 ( -7.025 3.582 0.533) 7.903 3.985 ( 7.025 3.582 0.533) 7.903 4.372 ( -14.188 -13.989 3.967) 20.315 4.372 ( 14.188 -13.989 3.967) 20.315 4.643 ( -8.890 -17.952 -8.482) 21.754 4.643 ( 8.890 -17.952 -8.482) 21.754 5.042 ( -2.501 8.087 0.127) 8.465 5.042 ( 2.501 8.087 0.127) 8.465 5.330 ( -1.340 -7.434 -5.835) 9.545 5.330 ( 1.340 -7.434 -5.835) 9.545 5.811 ( -17.545 16.365 8.895) 25.588 5.811 ( 17.545 16.365 8.895) 25.588 6.038 ( -3.235 7.172 3.829) 8.750 6.038 ( 3.235 7.172 3.829) 8.750 6.168 ( -16.031 7.808 14.098) 22.731 6.168 ( 16.031 7.808 14.098) 22.731 6.411 ( -3.467 8.234 2.927) 9.401 6.411 ( 3.467 8.234 2.927) 9.401 7.027 ( -3.301 5.699 1.568) 6.770 7.027 ( 3.301 5.699 1.568) 6.770 7.199 ( -7.261 -0.850 -8.421) 11.152 7.199 ( 7.261 -0.850 -8.421) 11.152 7.373 ( -6.064 1.100 -5.846) 8.495 7.373 ( 6.064 1.100 -5.846) 8.495 7.533 ( -17.876 -2.292 8.693) 20.009 7.533 ( 17.876 -2.292 8.693) 20.009 7.808 ( -8.538 -0.886 6.404) 10.710 7.808 ( 8.538 -0.886 6.404) 10.710 8.116 ( -9.135 -8.488 -8.372) 15.020 8.116 ( 9.135 -8.488 -8.372) 15.020 8.401 ( -1.097 -5.855 2.139) 6.329 8.401 ( 1.097 -5.855 2.139) 6.329 8.644 ( -6.374 -12.995 -10.715) 18.009 8.644 ( 6.374 -12.995 -10.715) 18.009 9.029 ( -3.517 10.905 2.671) 11.765 9.029 ( 3.517 10.905 2.671) 11.765 9.227 ( -5.252 10.037 3.373) 11.820 9.227 ( 5.252 10.037 3.373) 11.820 9.533 ( -2.653 -6.974 -5.873) 9.495 9.533 ( 2.653 -6.974 -5.873) 9.495 9.773 ( -7.487 -10.811 -17.500) 21.890 9.773 ( 7.487 -10.811 -17.500) 21.890 10.155 ( -11.883 6.278 -5.857) 14.660 10.155 ( 11.883 6.278 -5.857) 14.660 10.358 ( -4.203 -5.825 -7.364) 10.287 10.358 ( 4.203 -5.825 -7.364) 10.287 10.857 ( -10.319 10.692 -3.164) 15.192 10.857 ( 10.319 10.692 -3.164) 15.192 11.084 ( -5.521 -3.475 -7.207) 9.721 11.084 ( 5.521 -3.475 -7.207) 9.721 11.457 ( -3.377 -0.406 4.641) 5.754 11.457 ( 3.377 -0.406 4.641) 5.754 11.935 ( -10.801 -12.407 5.919) 17.482 11.935 ( 10.801 -12.407 5.919) 17.482 12.139 ( -8.557 -0.686 -1.515) 8.717 12.139 ( 8.557 -0.686 -1.515) 8.717 12.290 ( -3.623 -1.477 0.769) 3.987 12.290 ( 3.623 -1.477 0.769) 3.987 12.844 ( -3.185 13.180 5.280) 14.551 12.844 ( 3.185 13.180 5.280) 14.551 13.033 ( -2.695 1.133 1.503) 3.287 13.033 ( 2.695 1.133 1.503) 3.287 13.795 ( -18.729 13.797 6.902) 24.265 13.795 ( 18.729 13.797 6.902) 24.265 14.489 ( -17.108 -14.825 -3.428) 22.895 14.489 ( 17.108 -14.825 -3.428) 22.895 15.501 ( -5.364 -1.450 11.339) 12.627 15.501 ( 5.364 -1.450 11.339) 12.627 15.656 ( -6.097 -2.387 9.903) 11.872 15.656 ( 6.097 -2.387 9.903) 11.872 15.832 ( -16.031 2.267 -1.845) 16.295 15.832 ( 16.031 2.267 -1.845) 16.295 16.070 ( -20.712 -2.392 -5.850) 21.654 16.070 ( 20.712 -2.392 -5.850) 21.654 16.748 ( -4.461 5.023 1.772) 6.948 16.748 ( 4.461 5.023 1.772) 6.948 17.037 ( -8.539 3.024 5.807) 10.760 17.037 ( 8.539 3.024 5.807) 10.760 17.326 ( -3.229 0.705 -2.085) 3.908 17.326 ( 3.229 0.705 -2.085) 3.908 17.353 ( -7.621 -3.154 -5.547) 9.939 17.353 ( 7.621 -3.154 -5.547) 9.939 17.569 ( -1.643 2.047 -0.166) 2.630 17.569 ( 1.643 2.047 -0.166) 2.630 17.651 ( -11.309 3.334 0.788) 11.816 17.651 ( 11.309 3.334 0.788) 11.816 17.793 ( -8.866 2.573 -3.646) 9.926 17.793 ( 8.866 2.573 -3.646) 9.926 18.173 ( -3.638 -15.165 -5.447) 16.519 18.173 ( 3.638 -15.165 -5.447) 16.519 19.315 ( -2.062 16.333 0.239) 16.464 19.315 ( 2.062 16.333 0.239) 16.464 19.990 ( -1.487 -13.202 2.763) 13.570 19.990 ( 1.487 -13.202 2.763) 13.570 20.331 ( -2.357 2.607 -0.320) 3.530 20.331 ( 2.357 2.607 -0.320) 3.530 20.423 ( -0.807 -2.947 0.082) 3.057 20.423 ( 0.807 -2.947 0.082) 3.057 20.703 ( -1.275 4.337 -0.275) 4.528 20.703 ( 1.275 4.337 -0.275) 4.528 20.844 ( -2.456 -3.654 -1.115) 4.542 20.844 ( 2.456 -3.654 -1.115) 4.542 21.008 ( -1.723 1.489 -1.881) 2.954 21.008 ( 1.723 1.489 -1.881) 2.954 21.085 ( -2.058 -3.151 -0.717) 3.831 21.085 ( 2.058 -3.151 -0.717) 3.831 21.276 ( -3.747 5.389 2.200) 6.922 21.276 ( 3.747 5.389 2.200) 6.922 21.492 ( -3.811 -6.402 -5.535) 9.282 21.492 ( 3.811 -6.402 -5.535) 9.282 21.989 ( -2.545 9.772 6.142) 11.819 21.989 ( 2.545 9.772 6.142) 11.819 22.298 ( -7.472 -2.955 -5.916) 9.978 22.298 ( 7.472 -2.955 -5.916) 9.978 22.459 ( -2.862 3.016 -0.374) 4.175 22.459 ( 2.862 3.016 -0.374) 4.175 22.686 ( -3.236 -8.047 4.573) 9.805 22.686 ( 3.236 -8.047 4.573) 9.805 22.898 ( -2.209 3.103 0.622) 3.859 22.898 ( 2.209 3.103 0.622) 3.859 23.191 ( -3.088 -4.701 -2.709) 6.243 23.191 ( 3.088 -4.701 -2.709) 6.243 23.405 ( -3.336 3.369 1.072) 4.861 23.405 ( 3.336 3.369 1.072) 4.861 23.431 ( -4.416 0.464 1.073) 4.568 23.431 ( 4.416 0.464 1.073) 4.568 23.661 ( -1.849 8.257 6.205) 10.492 23.661 ( 1.849 8.257 6.205) 10.492 23.834 ( -8.073 5.259 1.710) 9.786 23.834 ( 8.073 5.259 1.710) 9.786 23.991 ( -7.525 -1.047 2.159) 7.898 23.991 ( 7.525 -1.047 2.159) 7.898 24.254 ( -2.745 -6.710 0.328) 7.257 24.254 ( 2.745 -6.710 0.328) 7.257 24.314 ( -4.862 -3.653 2.072) 6.424 24.314 ( 4.862 -3.653 2.072) 6.424 24.438 ( -7.379 -12.272 -4.010) 14.870 24.438 ( 7.379 -12.272 -4.010) 14.870 24.856 ( -7.050 6.306 4.291) 10.386 24.856 ( 7.050 6.306 4.291) 10.386 24.925 ( -7.171 5.843 2.515) 9.586 24.925 ( 7.171 5.843 2.515) 9.586 26.038 ( -3.607 8.083 -5.909) 10.642 26.038 ( 3.607 8.083 -5.909) 10.642 26.470 ( -0.831 -9.783 -7.616) 12.426 26.470 ( 0.831 -9.783 -7.616) 12.426 27.285 ( -1.184 2.075 -0.526) 2.446 27.285 ( 1.184 2.075 -0.526) 2.446 27.346 ( -0.908 -0.201 1.016) 1.377 27.346 ( 0.908 -0.201 1.016) 1.377 30.361 ( -4.861 2.348 0.904) 5.473 30.361 ( 4.861 2.348 0.904) 5.473 30.636 ( -3.474 -12.903 0.325) 13.367 30.636 ( 3.474 -12.903 0.325) 13.367 31.196 ( -1.545 11.816 2.409) 12.158 31.196 ( 1.545 11.816 2.409) 12.158 31.272 ( -2.131 8.931 0.021) 9.181 31.272 ( 2.131 8.931 0.021) 9.181 31.580 ( -2.489 -5.000 3.726) 6.714 31.580 ( 2.489 -5.000 3.726) 6.714 31.712 ( -1.837 -6.144 -0.200) 6.416 31.712 ( 1.837 -6.144 -0.200) 6.416 36.156 ( -3.765 2.345 -1.214) 4.599 36.156 ( 3.765 2.345 -1.214) 4.599 36.275 ( -3.789 -2.671 -1.194) 4.787 36.275 ( 3.789 -2.671 -1.194) 4.787 37.502 ( -9.010 6.198 -0.758) 10.963 37.502 ( 9.010 6.198 -0.758) 10.963 37.841 ( -9.916 -8.322 -5.946) 14.245 37.841 ( 9.916 -8.322 -5.946) 14.245 39.981 ( -5.515 2.387 2.495) 6.507 39.981 ( 5.515 2.387 2.495) 6.507 40.022 ( -4.284 1.000 1.317) 4.592 40.022 ( 4.284 1.000 1.317) 4.592 40.250 ( -8.412 4.640 -7.781) 12.362 40.250 ( 8.412 4.640 -7.781) 12.362 40.467 ( -9.193 -5.225 -2.730) 10.921 40.467 ( 9.193 -5.225 -2.730) 10.921 41.968 ( -7.167 6.537 4.298) 10.610 41.968 ( 7.167 6.537 4.298) 10.610 42.277 ( -7.534 -6.362 5.199) 11.148 42.277 ( 7.534 -6.362 5.199) 11.148 42.910 ( -5.210 4.013 0.238) 6.581 42.910 ( 5.210 4.013 0.238) 6.581 43.086 ( -5.174 -3.475 -7.790) 9.977 43.086 ( 5.174 -3.475 -7.790) 9.977 ======================= Grid point 119 (45/60) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.000 -0.256 2.143) 2.158 1.605 ( 0.000 0.256 2.143) 2.158 1.789 ( 0.000 -7.051 5.321) 8.834 1.789 ( 0.000 7.051 5.321) 8.834 1.840 ( 0.000 -0.150 -0.130) 0.198 1.840 ( 0.000 0.150 -0.130) 0.198 2.054 ( 0.000 -1.903 0.704) 2.029 2.054 ( 0.000 1.903 0.704) 2.029 2.284 ( 0.000 -0.804 2.535) 2.659 2.284 ( 0.000 0.804 2.535) 2.659 2.379 ( 0.000 -4.096 12.796) 13.435 2.379 ( 0.000 4.096 12.796) 13.435 2.762 ( 0.000 -8.086 -5.563) 9.815 2.762 ( 0.000 8.086 -5.563) 9.815 3.125 ( 0.000 -3.002 13.833) 14.155 3.125 ( 0.000 3.002 13.833) 14.155 3.863 ( 0.000 -7.368 24.299) 25.392 3.863 ( 0.000 7.368 24.299) 25.392 4.098 ( 0.000 -10.610 15.212) 18.547 4.098 ( 0.000 10.610 15.212) 18.547 4.356 ( 0.000 -2.517 -5.152) 5.733 4.356 ( 0.000 2.517 -5.152) 5.733 4.657 ( 0.000 -1.075 -3.931) 4.076 4.657 ( 0.000 1.075 -3.931) 4.076 5.225 ( 0.000 -2.958 5.561) 6.299 5.225 ( 0.000 2.958 5.561) 6.299 5.493 ( 0.000 -6.888 0.765) 6.930 5.493 ( 0.000 6.888 0.765) 6.930 5.628 ( 0.000 -10.562 -0.336) 10.567 5.628 ( 0.000 10.562 -0.336) 10.567 5.915 ( 0.000 -1.208 -18.004) 18.044 5.915 ( 0.000 1.208 -18.004) 18.044 6.168 ( 0.000 -12.258 -18.678) 22.341 6.168 ( 0.000 12.258 -18.678) 22.341 6.364 ( 0.000 -6.513 2.848) 7.109 6.364 ( 0.000 6.513 2.848) 7.109 6.770 ( 0.000 -5.191 -6.965) 8.687 6.770 ( 0.000 5.191 -6.965) 8.687 6.828 ( 0.000 -3.945 -0.768) 4.019 6.828 ( 0.000 3.945 -0.768) 4.019 7.352 ( 0.000 -13.082 2.917) 13.404 7.352 ( 0.000 13.082 2.917) 13.404 7.538 ( 0.000 -15.475 7.137) 17.041 7.538 ( 0.000 15.475 7.137) 17.041 7.606 ( 0.000 -5.396 4.819) 7.235 7.606 ( 0.000 5.396 4.819) 7.235 7.971 ( 0.000 -2.256 10.465) 10.706 7.971 ( 0.000 2.256 10.465) 10.706 8.488 ( 0.000 -16.226 -6.149) 17.352 8.488 ( 0.000 16.226 -6.149) 17.352 8.852 ( 0.000 -4.428 3.496) 5.642 8.852 ( 0.000 4.428 3.496) 5.642 8.950 ( 0.000 -2.069 -21.195) 21.295 8.950 ( 0.000 2.069 -21.195) 21.295 9.500 ( 0.000 -3.754 1.771) 4.151 9.500 ( 0.000 3.754 1.771) 4.151 9.626 ( 0.000 -5.610 -3.491) 6.607 9.626 ( 0.000 5.610 -3.491) 6.607 9.891 ( 0.000 -3.702 1.694) 4.071 9.891 ( 0.000 3.702 1.694) 4.071 9.924 ( 0.000 -2.522 -8.710) 9.068 9.924 ( 0.000 2.522 -8.710) 9.068 10.346 ( 0.000 -0.515 -5.355) 5.380 10.346 ( 0.000 0.515 -5.355) 5.380 10.763 ( 0.000 -6.173 -15.200) 16.406 10.763 ( 0.000 6.173 -15.200) 16.406 11.223 ( 0.000 -13.456 -3.005) 13.788 11.223 ( 0.000 13.456 -3.005) 13.788 11.296 ( 0.000 -6.044 -3.124) 6.803 11.296 ( 0.000 6.044 -3.124) 6.803 11.965 ( 0.000 -0.954 8.789) 8.840 11.965 ( 0.000 0.954 8.789) 8.840 12.234 ( 0.000 -5.534 8.960) 10.532 12.234 ( 0.000 5.534 8.960) 10.532 12.747 ( 0.000 -4.717 3.738) 6.018 12.747 ( 0.000 4.717 3.738) 6.018 12.863 ( 0.000 -1.487 -0.077) 1.489 12.863 ( 0.000 1.487 -0.077) 1.489 13.423 ( 0.000 -11.851 7.224) 13.880 13.423 ( 0.000 11.851 7.224) 13.880 13.669 ( 0.000 -3.644 -3.093) 4.779 13.669 ( 0.000 3.644 -3.093) 4.779 14.391 ( 0.000 -0.007 -1.066) 1.066 14.391 ( 0.000 0.007 -1.066) 1.066 15.016 ( 0.000 -11.569 11.099) 16.032 15.016 ( 0.000 11.569 11.099) 16.032 15.190 ( 0.000 -4.318 3.501) 5.559 15.190 ( 0.000 4.318 3.501) 5.559 15.674 ( 0.000 -1.080 5.728) 5.829 15.674 ( 0.000 1.080 5.728) 5.829 16.504 ( 0.000 -2.112 0.858) 2.280 16.504 ( 0.000 2.112 0.858) 2.280 16.684 ( 0.000 -0.341 -5.029) 5.041 16.684 ( 0.000 0.341 -5.029) 5.041 16.974 ( 0.000 -2.293 2.223) 3.194 16.974 ( 0.000 2.293 2.223) 3.194 17.139 ( 0.000 -5.020 -6.550) 8.253 17.139 ( 0.000 5.020 -6.550) 8.253 17.429 ( 0.000 -3.713 -1.392) 3.965 17.429 ( 0.000 3.713 -1.392) 3.965 17.686 ( 0.000 -6.137 -0.866) 6.198 17.686 ( 0.000 6.137 -0.866) 6.198 18.276 ( 0.000 -10.557 2.537) 10.858 18.276 ( 0.000 10.557 2.537) 10.858 18.370 ( 0.000 -4.481 -0.000) 4.481 18.370 ( 0.000 4.481 -0.000) 4.481 18.698 ( 0.000 -5.872 7.538) 9.555 18.698 ( 0.000 5.872 7.538) 9.555 19.074 ( 0.000 -4.488 -8.259) 9.399 19.074 ( 0.000 4.488 -8.259) 9.399 19.890 ( 0.000 -9.567 4.821) 10.713 19.890 ( 0.000 9.567 4.821) 10.713 20.308 ( 0.000 -3.605 1.536) 3.918 20.308 ( 0.000 3.605 1.536) 3.918 20.378 ( 0.000 -2.240 1.566) 2.733 20.378 ( 0.000 2.240 1.566) 2.733 20.462 ( 0.000 -2.721 -2.783) 3.892 20.462 ( 0.000 2.721 -2.783) 3.892 20.580 ( 0.000 -2.061 -5.875) 6.226 20.580 ( 0.000 2.061 -5.875) 6.226 20.898 ( 0.000 -1.176 -0.746) 1.392 20.898 ( 0.000 1.176 -0.746) 1.392 21.043 ( 0.000 -4.649 -4.027) 6.151 21.043 ( 0.000 4.649 -4.027) 6.151 21.210 ( 0.000 -1.002 1.402) 1.723 21.210 ( 0.000 1.002 1.402) 1.723 21.519 ( 0.000 -4.259 0.623) 4.304 21.519 ( 0.000 4.259 0.623) 4.304 21.657 ( 0.000 -3.013 -6.576) 7.233 21.657 ( 0.000 3.013 -6.576) 7.233 22.128 ( 0.000 -7.167 0.491) 7.184 22.128 ( 0.000 7.167 0.491) 7.184 22.407 ( 0.000 -3.705 -6.548) 7.524 22.407 ( 0.000 3.705 -6.548) 7.524 22.624 ( 0.000 -2.432 0.582) 2.501 22.624 ( 0.000 2.432 0.582) 2.501 22.996 ( 0.000 -4.776 1.934) 5.152 22.996 ( 0.000 4.776 1.934) 5.152 23.078 ( 0.000 -2.365 1.789) 2.966 23.078 ( 0.000 2.365 1.789) 2.966 23.363 ( 0.000 -0.397 7.702) 7.712 23.363 ( 0.000 0.397 7.702) 7.712 23.448 ( 0.000 -1.386 -0.015) 1.386 23.448 ( 0.000 1.386 -0.015) 1.386 23.547 ( 0.000 -5.743 1.425) 5.917 23.547 ( 0.000 5.743 1.425) 5.917 23.624 ( 0.000 -6.852 -4.868) 8.406 23.624 ( 0.000 6.852 -4.868) 8.406 24.018 ( 0.000 -0.565 2.261) 2.331 24.018 ( 0.000 0.565 2.261) 2.331 24.191 ( 0.000 -1.830 -5.314) 5.620 24.191 ( 0.000 1.830 -5.314) 5.620 24.640 ( 0.000 -1.870 8.630) 8.830 24.640 ( 0.000 1.870 8.630) 8.830 24.782 ( 0.000 -5.504 11.110) 12.399 24.782 ( 0.000 5.504 11.110) 12.399 25.132 ( 0.000 -1.107 -2.117) 2.389 25.132 ( 0.000 1.107 -2.117) 2.389 25.683 ( 0.000 -14.705 -12.799) 19.495 25.683 ( 0.000 14.705 -12.799) 19.495 25.955 ( 0.000 -5.556 4.019) 6.857 25.955 ( 0.000 5.556 4.019) 6.857 26.197 ( 0.000 -2.576 -2.250) 3.420 26.197 ( 0.000 2.576 -2.250) 3.420 27.126 ( 0.000 -2.270 1.132) 2.537 27.126 ( 0.000 2.270 1.132) 2.537 27.356 ( 0.000 -1.802 1.404) 2.284 27.356 ( 0.000 1.802 1.404) 2.284 30.068 ( 0.000 -2.916 2.579) 3.893 30.068 ( 0.000 2.916 2.579) 3.893 31.075 ( 0.000 -0.774 0.751) 1.078 31.075 ( 0.000 0.774 0.751) 1.078 31.165 ( 0.000 -1.620 3.628) 3.974 31.165 ( 0.000 1.620 3.628) 3.974 31.282 ( 0.000 -1.481 -0.727) 1.650 31.282 ( 0.000 1.481 -0.727) 1.650 31.370 ( 0.000 -5.893 0.349) 5.904 31.370 ( 0.000 5.893 0.349) 5.904 31.528 ( 0.000 -2.327 0.778) 2.453 31.528 ( 0.000 2.327 0.778) 2.453 35.926 ( 0.000 -0.029 -3.480) 3.480 35.926 ( 0.000 0.029 -3.480) 3.480 36.077 ( 0.000 -2.741 -5.243) 5.916 36.077 ( 0.000 2.741 -5.243) 5.916 37.376 ( 0.000 -5.207 12.449) 13.494 37.376 ( 0.000 5.207 12.449) 13.494 38.165 ( 0.000 -8.245 -10.803) 13.590 38.165 ( 0.000 8.245 -10.803) 13.590 39.550 ( 0.000 -1.291 2.194) 2.545 39.550 ( 0.000 1.291 2.194) 2.545 39.896 ( 0.000 -2.390 -6.433) 6.863 39.896 ( 0.000 2.390 -6.433) 6.863 40.481 ( 0.000 -4.102 3.249) 5.233 40.481 ( 0.000 4.102 3.249) 5.233 40.835 ( 0.000 -4.658 -6.079) 7.659 40.835 ( 0.000 4.658 -6.079) 7.659 41.423 ( 0.000 -8.973 5.422) 10.484 41.423 ( 0.000 8.973 5.422) 10.484 42.607 ( 0.000 -11.664 -7.980) 14.132 42.607 ( 0.000 11.664 -7.980) 14.132 43.048 ( 0.000 -3.181 2.284) 3.916 43.048 ( 0.000 3.181 2.284) 3.916 43.291 ( 0.000 -3.384 -1.717) 3.794 43.291 ( 0.000 3.384 -1.717) 3.794 ======================= Grid point 121 (46/60) ======================= q-point: ( 0.17 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 2.593 -0.135 2.253) 3.438 1.631 ( 2.593 0.135 2.253) 3.438 1.807 ( 1.097 -4.218 3.166) 5.387 1.807 ( 1.097 4.218 3.166) 5.387 1.845 ( 0.511 -0.636 -0.049) 0.817 1.845 ( 0.511 0.636 -0.049) 0.817 2.029 ( -2.493 -0.827 0.461) 2.667 2.029 ( -2.493 0.827 0.461) 2.667 2.301 ( 1.077 -1.659 2.473) 3.167 2.301 ( 1.077 1.659 2.473) 3.167 2.463 ( 5.824 -4.612 10.517) 12.876 2.463 ( 5.824 4.612 10.517) 12.876 2.770 ( 3.584 -7.697 -1.862) 8.693 2.770 ( 3.584 7.697 -1.862) 8.693 3.061 ( -0.900 -5.650 15.162) 16.206 3.061 ( -0.900 5.650 15.162) 16.206 3.828 ( -0.505 -9.357 15.956) 18.504 3.828 ( -0.505 9.357 15.956) 18.504 4.240 ( -1.495 -5.493 0.363) 5.705 4.240 ( -1.495 5.493 0.363) 5.705 4.425 ( 2.885 -3.254 -5.759) 7.217 4.425 ( 2.885 3.254 -5.759) 7.217 4.723 ( 11.713 -2.784 4.519) 12.859 4.723 ( 11.713 2.784 4.519) 12.859 5.115 ( -9.442 -8.849 3.397) 13.378 5.115 ( -9.442 8.849 3.397) 13.378 5.387 ( -11.804 -13.695 -6.693) 19.279 5.387 ( -11.804 13.695 -6.693) 19.279 5.562 ( -7.804 -10.840 0.498) 13.366 5.562 ( -7.804 10.840 0.498) 13.366 5.746 ( 7.543 -6.590 2.721) 10.380 5.746 ( 7.543 6.590 2.721) 10.380 6.352 ( 10.847 -4.698 -12.099) 16.915 6.352 ( 10.847 4.698 -12.099) 16.915 6.511 ( 1.877 -5.043 3.786) 6.580 6.511 ( 1.877 5.043 3.786) 6.580 6.827 ( 7.475 -10.249 1.499) 12.773 6.827 ( 7.475 10.249 1.499) 12.773 6.948 ( 9.796 -5.948 -11.901) 16.521 6.948 ( 9.796 5.948 -11.901) 16.521 7.296 ( -7.815 -3.324 8.698) 12.156 7.296 ( -7.815 3.324 8.698) 12.156 7.467 ( 3.753 -12.641 5.724) 14.375 7.467 ( 3.753 12.641 5.724) 14.375 7.775 ( 11.339 -6.782 -2.697) 13.485 7.775 ( 11.339 6.782 -2.697) 13.485 7.956 ( -2.541 -3.395 4.237) 5.995 7.956 ( -2.541 3.395 4.237) 5.995 8.492 ( -0.362 -15.574 -1.765) 15.678 8.492 ( -0.362 15.574 -1.765) 15.678 8.798 ( -11.870 -9.671 -15.075) 21.487 8.798 ( -11.870 9.671 -15.075) 21.487 8.981 ( 8.965 -3.105 -3.346) 10.061 8.981 ( 8.965 3.105 -3.346) 10.061 9.382 ( -8.946 -6.233 5.175) 12.069 9.382 ( -8.946 6.233 5.175) 12.069 9.599 ( -2.646 -7.328 -4.157) 8.830 9.599 ( -2.646 7.328 -4.157) 8.830 9.832 ( -5.901 -7.051 -5.208) 10.567 9.832 ( -5.901 7.051 -5.208) 10.567 9.934 ( 1.517 -0.332 -1.982) 2.518 9.934 ( 1.517 0.332 -1.982) 2.518 10.345 ( 0.396 -3.474 -10.968) 11.512 10.345 ( 0.396 3.474 -10.968) 11.512 10.830 ( 6.053 -6.028 -11.970) 14.706 10.830 ( 6.053 6.028 -11.970) 14.706 11.224 ( -0.567 -10.820 -1.833) 10.989 11.224 ( -0.567 10.820 -1.833) 10.989 11.350 ( 2.839 -9.392 -1.333) 9.901 11.350 ( 2.839 9.392 -1.333) 9.901 11.932 ( -2.979 -7.662 9.761) 12.762 11.932 ( -2.979 7.662 9.761) 12.762 12.192 ( -3.423 -7.855 0.869) 8.612 12.192 ( -3.423 7.855 0.869) 8.612 12.650 ( -9.289 -2.703 4.063) 10.493 12.650 ( -9.289 2.703 4.063) 10.493 12.884 ( 3.767 -3.405 1.269) 5.234 12.884 ( 3.767 3.405 1.269) 5.234 13.379 ( -7.836 -10.961 5.971) 14.737 13.379 ( -7.836 10.961 5.971) 14.737 13.619 ( -1.777 -2.595 1.058) 3.319 13.619 ( -1.777 2.595 1.058) 3.319 14.504 ( 10.102 -4.622 -0.518) 11.121 14.504 ( 10.102 4.622 -0.518) 11.121 15.071 ( 4.187 -5.833 10.599) 12.802 15.071 ( 4.187 5.833 10.599) 12.802 15.269 ( 7.841 -7.522 4.822) 11.888 15.269 ( 7.841 7.522 4.822) 11.888 15.640 ( -1.186 -9.104 3.356) 9.775 15.640 ( -1.186 9.104 3.356) 9.775 16.504 ( -2.652 -11.874 -0.453) 12.175 16.504 ( -2.652 11.874 -0.453) 12.175 16.704 ( 5.051 -0.721 -6.491) 8.256 16.704 ( 5.051 0.721 -6.491) 8.256 17.015 ( -1.158 -2.720 -0.378) 2.980 17.015 ( -1.158 2.720 -0.378) 2.980 17.137 ( 3.545 -5.578 -2.379) 7.024 17.137 ( 3.545 5.578 -2.379) 7.024 17.428 ( 0.475 -4.310 -0.267) 4.344 17.428 ( 0.475 4.310 -0.267) 4.344 17.669 ( -4.022 -5.086 0.766) 6.529 17.669 ( -4.022 5.086 0.766) 6.529 17.989 ( -19.776 -3.728 1.159) 20.158 17.989 ( -19.776 3.728 1.159) 20.158 18.237 ( -9.363 -2.877 -0.060) 9.795 18.237 ( -9.363 2.877 -0.060) 9.795 18.628 ( -16.048 -4.995 0.714) 16.822 18.628 ( -16.048 4.995 0.714) 16.822 19.222 ( 16.257 -1.914 -1.869) 16.476 19.222 ( 16.257 1.914 -1.869) 16.476 19.862 ( -5.208 -5.380 5.174) 9.102 19.862 ( -5.208 5.380 5.174) 9.102 20.288 ( 2.215 -4.572 -0.094) 5.081 20.288 ( 2.215 4.572 -0.094) 5.081 20.391 ( -1.111 -1.917 -0.611) 2.298 20.391 ( -1.111 1.917 -0.611) 2.298 20.515 ( 6.269 -1.494 -1.882) 6.714 20.515 ( 6.269 1.494 -1.882) 6.714 20.676 ( 7.565 -0.669 -4.572) 8.864 20.676 ( 7.565 0.669 -4.572) 8.864 20.927 ( 2.619 -1.460 -0.617) 3.061 20.927 ( 2.619 1.460 -0.617) 3.061 21.045 ( 0.476 -2.517 -2.756) 3.763 21.045 ( 0.476 2.517 -2.756) 3.763 21.288 ( 5.204 -2.022 2.397) 6.075 21.288 ( 5.204 2.022 2.397) 6.075 21.479 ( -4.767 -4.640 -2.604) 7.144 21.479 ( -4.767 4.640 -2.604) 7.144 21.741 ( 10.503 -0.435 -3.988) 11.244 21.741 ( 10.503 0.435 -3.988) 11.244 22.157 ( 2.887 -7.588 1.132) 8.197 22.157 ( 2.887 7.588 1.132) 8.197 22.409 ( -1.068 -3.553 -7.159) 8.063 22.409 ( -1.068 3.553 -7.159) 8.063 22.654 ( 3.957 -2.302 1.735) 4.895 22.654 ( 3.957 2.302 1.735) 4.895 22.972 ( -3.745 -3.374 3.480) 6.125 22.972 ( -3.745 3.374 3.480) 6.125 23.090 ( 1.510 -2.772 2.023) 3.749 23.090 ( 1.510 2.772 2.023) 3.749 23.378 ( 3.282 -6.845 4.848) 9.007 23.378 ( 3.282 6.845 4.848) 9.007 23.486 ( 0.504 -1.705 -1.020) 2.050 23.486 ( 0.504 1.705 -1.020) 2.050 23.589 ( 4.429 -3.820 2.034) 6.193 23.589 ( 4.429 3.820 2.034) 6.193 23.644 ( 3.333 -7.004 -3.723) 8.604 23.644 ( 3.333 7.004 -3.723) 8.604 24.013 ( -0.155 -4.453 2.122) 4.935 24.013 ( -0.155 4.453 2.122) 4.935 24.200 ( 0.347 -3.929 -3.663) 5.383 24.200 ( 0.347 3.929 -3.663) 5.383 24.524 ( -9.968 -1.126 7.215) 12.357 24.524 ( -9.968 1.126 7.215) 12.357 24.749 ( -4.391 -6.231 7.816) 10.917 24.749 ( -4.391 6.231 7.816) 10.917 25.013 ( -11.692 -3.369 -1.403) 12.248 25.013 ( -11.692 3.369 -1.403) 12.248 25.447 ( -15.734 -6.966 -0.238) 17.209 25.447 ( -15.734 6.966 -0.238) 17.209 26.052 ( 6.121 -8.634 -3.506) 11.149 26.052 ( 6.121 8.634 -3.506) 11.149 26.263 ( 3.671 -2.254 -5.391) 6.901 26.263 ( 3.671 2.254 -5.391) 6.901 27.157 ( 3.118 -1.985 1.107) 3.859 27.157 ( 3.118 1.985 1.107) 3.859 27.367 ( 0.845 -1.487 0.709) 1.852 27.367 ( 0.845 1.487 0.709) 1.852 30.121 ( 5.240 -3.070 2.212) 6.463 30.121 ( 5.240 3.070 2.212) 6.463 30.883 ( -11.913 -0.736 0.281) 11.939 30.883 ( -11.913 0.736 0.281) 11.939 31.243 ( 2.623 -3.972 3.548) 5.937 31.243 ( 2.623 3.972 3.548) 5.937 31.373 ( 5.654 -8.552 0.380) 10.259 31.373 ( 5.654 8.552 0.380) 10.259 31.414 ( 4.956 -5.038 0.527) 7.086 31.414 ( 4.956 5.038 0.527) 7.086 31.522 ( -0.335 -5.277 0.319) 5.297 31.522 ( -0.335 5.277 0.319) 5.297 35.970 ( 4.530 -2.339 -2.036) 5.489 35.970 ( 4.530 2.339 -2.036) 5.489 36.143 ( 5.612 -3.184 -5.973) 8.792 36.143 ( 5.612 3.184 -5.973) 8.792 37.390 ( 1.859 -5.747 10.540) 12.148 37.390 ( 1.859 5.747 10.540) 12.148 38.091 ( -7.296 -8.325 -9.900) 14.851 38.091 ( -7.296 8.325 -9.900) 14.851 39.640 ( 8.472 -1.207 2.603) 8.945 39.640 ( 8.472 1.207 2.603) 8.945 39.931 ( 3.561 -1.984 -6.753) 7.888 39.931 ( 3.561 1.984 -6.753) 7.888 40.448 ( -3.626 -2.373 3.627) 5.651 40.448 ( -3.626 2.373 3.627) 5.651 40.715 ( -9.640 -3.854 -6.609) 12.307 40.715 ( -9.640 3.854 -6.609) 12.307 41.570 ( 12.517 -7.750 5.596) 15.749 41.570 ( 12.517 7.750 5.596) 15.749 42.546 ( -6.189 -10.708 -6.155) 13.816 42.546 ( -6.189 10.708 -6.155) 13.816 43.001 ( -3.766 -2.515 2.634) 5.239 43.001 ( -3.766 2.515 2.634) 5.239 43.249 ( -4.293 -3.599 -3.205) 6.454 43.249 ( -4.293 3.599 -3.205) 6.454 ======================= Grid point 123 (47/60) ======================= q-point: ( 0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 4.183 -0.184 2.172) 4.717 1.700 ( 4.183 0.184 2.172) 4.717 1.815 ( -0.585 -1.659 1.555) 2.347 1.815 ( -0.585 1.659 1.555) 2.347 1.860 ( 1.151 -0.911 0.219) 1.485 1.860 ( 1.151 0.911 0.219) 1.485 1.965 ( -3.754 -0.771 0.352) 3.849 1.965 ( -3.754 0.771 0.352) 3.849 2.337 ( 3.244 -2.354 3.040) 5.030 2.337 ( 3.244 2.354 3.040) 5.030 2.497 ( -1.749 -1.307 3.419) 4.057 2.497 ( -1.749 1.307 3.419) 4.057 2.936 ( 11.471 -4.262 4.916) 13.187 2.936 ( 11.471 4.262 4.916) 13.187 3.211 ( 13.456 -10.760 4.072) 17.704 3.211 ( 13.456 10.760 4.072) 17.704 3.776 ( -6.256 -9.887 10.092) 15.452 3.776 ( -6.256 9.887 10.092) 15.452 4.163 ( -5.882 -12.501 2.584) 14.055 4.163 ( -5.882 12.501 2.584) 14.055 4.264 ( -9.376 -4.293 -8.790) 13.550 4.264 ( -9.376 4.293 -8.790) 13.550 4.669 ( -17.721 -4.332 -4.443) 18.776 4.669 ( -17.721 4.332 -4.443) 18.776 5.112 ( 4.267 -8.419 -0.290) 9.443 5.112 ( 4.267 8.419 -0.290) 9.443 5.219 ( -1.992 -10.094 -6.023) 11.922 5.219 ( -1.992 10.094 -6.023) 11.922 5.704 ( 16.569 -9.731 12.286) 22.807 5.704 ( 16.569 9.731 12.286) 22.807 6.009 ( 17.558 -8.983 10.196) 22.202 6.009 ( 17.558 8.983 10.196) 22.202 6.361 ( -8.903 -7.745 4.888) 12.772 6.361 ( -8.903 7.745 4.888) 12.772 6.565 ( 0.564 -4.118 -1.455) 4.403 6.565 ( 0.564 4.118 -1.455) 4.403 6.930 ( 6.347 -2.069 4.473) 8.036 6.930 ( 6.347 2.069 4.473) 8.036 7.105 ( 9.062 -7.550 -1.276) 11.864 7.105 ( 9.062 7.550 -1.276) 11.864 7.286 ( 2.708 -1.714 1.789) 3.670 7.286 ( 2.708 1.714 1.789) 3.670 7.578 ( 7.423 -10.301 1.172) 12.751 7.578 ( 7.423 10.301 1.172) 12.751 7.818 ( -11.390 -5.324 -0.069) 12.573 7.818 ( -11.390 5.324 -0.069) 12.573 8.021 ( 9.097 -6.749 -9.242) 14.619 8.021 ( 9.097 6.749 -9.242) 14.619 8.411 ( -8.133 -4.650 -2.574) 9.716 8.411 ( -8.133 4.650 -2.574) 9.716 8.559 ( -7.989 -7.166 -8.352) 13.599 8.559 ( -7.989 7.166 -8.352) 13.599 9.151 ( 6.334 -1.446 -4.729) 8.035 9.151 ( 6.334 1.446 -4.729) 8.035 9.277 ( -0.787 -12.315 4.787) 13.236 9.277 ( -0.787 12.315 4.787) 13.236 9.545 ( -2.153 -4.130 -5.295) 7.052 9.545 ( -2.153 4.130 -5.295) 7.052 9.677 ( -9.083 -11.336 -9.514) 17.364 9.677 ( -9.083 11.336 -9.514) 17.364 10.031 ( 9.378 -4.111 0.767) 10.268 10.031 ( 9.378 4.111 0.767) 10.268 10.350 ( -0.820 -1.009 -11.803) 11.875 10.350 ( -0.820 1.009 -11.803) 11.875 10.952 ( 4.903 -4.829 -10.187) 12.293 10.952 ( 4.903 4.829 -10.187) 12.293 11.152 ( -6.740 -3.547 -3.982) 8.595 11.152 ( -6.740 3.547 -3.982) 8.595 11.404 ( 4.922 -7.939 3.277) 9.899 11.404 ( 4.922 7.939 3.277) 9.899 11.825 ( -8.880 -6.905 7.239) 13.377 11.825 ( -8.880 6.905 7.239) 13.377 12.164 ( 1.329 -6.185 -2.607) 6.842 12.164 ( 1.329 6.185 -2.607) 6.842 12.415 ( -12.767 -1.885 4.572) 13.692 12.415 ( -12.767 1.885 4.572) 13.692 12.973 ( 2.603 -0.782 4.149) 4.960 12.973 ( 2.603 0.782 4.149) 4.960 13.158 ( -10.804 -4.617 2.568) 12.027 13.158 ( -10.804 4.617 2.568) 12.027 13.729 ( 14.583 -7.592 1.406) 16.501 13.729 ( 14.583 7.592 1.406) 16.501 14.523 ( -12.601 -9.649 3.343) 16.219 14.523 ( -12.601 9.649 3.343) 16.219 15.267 ( 17.331 -4.615 8.652) 19.913 15.267 ( 17.331 4.615 8.652) 19.913 15.508 ( 16.826 -6.865 3.641) 18.534 15.508 ( 16.826 6.865 3.641) 18.534 15.652 ( 0.350 -7.085 3.927) 8.108 15.652 ( 0.350 7.085 3.927) 8.108 16.331 ( -14.809 -9.652 -4.398) 18.216 16.331 ( -14.809 9.652 -4.398) 18.216 16.892 ( 4.488 -4.840 -1.167) 6.703 16.892 ( 4.488 4.840 -1.167) 6.703 16.960 ( 5.099 -4.059 -2.370) 6.935 16.960 ( 5.099 4.059 -2.370) 6.935 17.215 ( -0.310 -2.192 0.432) 2.256 17.215 ( -0.310 2.192 0.432) 2.256 17.425 ( -2.201 -7.183 -0.189) 7.515 17.425 ( -2.201 7.183 -0.189) 7.515 17.497 ( -3.919 -5.637 0.627) 6.894 17.497 ( -3.919 5.637 0.627) 6.894 17.802 ( -1.294 -1.083 -0.396) 1.733 17.802 ( -1.294 1.083 -0.396) 1.733 18.006 ( -13.238 -4.460 0.873) 13.997 18.006 ( -13.238 4.460 0.873) 13.997 18.218 ( -22.693 -2.602 -4.663) 23.313 18.218 ( -22.693 2.602 -4.663) 23.313 19.516 ( 11.671 -2.583 1.105) 12.004 19.516 ( 11.671 2.583 1.105) 12.004 19.751 ( -4.552 -3.328 1.692) 5.887 19.751 ( -4.552 3.328 1.692) 5.887 20.342 ( 2.280 -4.233 0.650) 4.851 20.342 ( 2.280 4.233 0.650) 4.851 20.382 ( 0.069 -0.847 -0.937) 1.265 20.382 ( 0.069 0.847 -0.937) 1.265 20.656 ( 7.230 -1.672 -0.575) 7.443 20.656 ( 7.230 1.672 -0.575) 7.443 20.800 ( 3.242 -1.292 -3.568) 4.991 20.800 ( 3.242 1.292 -3.568) 4.991 20.978 ( 2.392 -1.375 -0.423) 2.791 20.978 ( 2.392 1.375 -0.423) 2.791 21.068 ( 1.173 -1.436 -1.454) 2.357 21.068 ( 1.173 1.436 -1.454) 2.357 21.316 ( -0.486 -4.449 -0.248) 4.483 21.316 ( -0.486 4.449 -0.248) 4.483 21.435 ( -0.393 -5.998 -1.779) 6.269 21.435 ( -0.393 5.998 -1.779) 6.269 21.992 ( 12.824 -2.880 0.292) 13.147 21.992 ( 12.824 2.880 0.292) 13.147 22.228 ( 2.670 -10.363 2.486) 10.987 22.228 ( 2.670 10.363 2.486) 10.987 22.393 ( 1.823 -3.633 -8.058) 9.025 22.393 ( 1.823 3.633 -8.058) 9.025 22.698 ( -3.837 -3.248 3.884) 6.353 22.698 ( -3.837 3.248 3.884) 6.353 22.916 ( 2.304 -1.936 2.291) 3.782 22.916 ( 2.304 1.936 2.291) 3.782 23.120 ( 0.197 -1.675 1.641) 2.353 23.120 ( 0.197 1.675 1.641) 2.353 23.416 ( -0.613 -2.009 0.277) 2.118 23.416 ( -0.613 2.009 0.277) 2.118 23.481 ( 0.138 -1.783 1.835) 2.562 23.481 ( 0.138 1.783 1.835) 2.562 23.698 ( 6.351 -3.348 1.932) 7.435 23.698 ( 6.351 3.348 1.932) 7.435 23.766 ( 7.097 -5.997 1.242) 9.374 23.766 ( 7.097 5.997 1.242) 9.374 24.032 ( 2.783 -4.268 -1.410) 5.286 24.032 ( 2.783 4.268 -1.410) 5.286 24.168 ( -3.726 -3.171 -0.182) 4.896 24.168 ( -3.726 3.171 -0.182) 4.896 24.317 ( -9.777 -1.452 5.514) 11.319 24.317 ( -9.777 1.452 5.514) 11.319 24.558 ( -15.417 -3.389 -1.673) 15.873 24.558 ( -15.417 3.389 -1.673) 15.873 24.836 ( -0.821 -3.281 3.805) 5.091 24.836 ( -0.821 3.281 3.805) 5.091 25.180 ( -12.186 -2.194 4.386) 13.136 25.180 ( -12.186 2.194 4.386) 13.136 26.164 ( 5.077 -9.130 -5.881) 11.988 26.164 ( 5.077 9.130 -5.881) 11.988 26.287 ( -0.956 -4.820 -7.540) 9.000 26.287 ( -0.956 4.820 -7.540) 9.000 27.239 ( 4.847 -1.149 0.734) 5.035 27.239 ( 4.847 1.149 0.734) 5.035 27.371 ( -0.816 -0.857 -0.052) 1.185 27.371 ( -0.816 0.857 -0.052) 1.185 30.260 ( 8.581 -3.323 1.383) 9.305 30.260 ( 8.581 3.323 1.383) 9.305 30.656 ( -11.184 -1.922 -0.045) 11.348 30.656 ( -11.184 1.922 -0.045) 11.348 31.297 ( 3.147 -3.781 3.095) 5.812 31.297 ( 3.147 3.781 3.095) 5.812 31.411 ( -1.078 -9.860 2.352) 10.194 31.411 ( -1.078 9.860 2.352) 10.194 31.520 ( 3.864 -1.013 -0.129) 3.996 31.520 ( 3.864 1.013 -0.129) 3.996 31.540 ( 2.376 -5.164 0.564) 5.712 31.540 ( 2.376 5.164 0.564) 5.712 36.091 ( 7.125 -2.949 -0.505) 7.728 36.091 ( 7.125 2.949 -0.505) 7.728 36.236 ( 2.465 -3.136 -4.536) 6.041 36.236 ( 2.465 3.136 -4.536) 6.041 37.470 ( 6.841 -7.053 4.567) 10.835 37.470 ( 6.841 7.053 4.567) 10.835 37.898 ( -11.806 -8.297 -7.421) 16.226 37.898 ( -11.806 8.297 -7.421) 16.226 39.839 ( 10.664 -0.283 3.629) 11.268 39.839 ( 10.664 0.283 3.629) 11.268 40.030 ( 5.484 -0.701 -5.902) 8.086 40.030 ( 5.484 0.701 -5.902) 8.086 40.343 ( -5.709 -3.229 2.022) 6.864 40.343 ( -5.709 3.229 2.022) 6.864 40.526 ( -9.249 -5.221 -7.177) 12.818 40.526 ( -9.249 5.221 -7.177) 12.818 41.844 ( 14.618 -5.692 6.212) 16.873 41.844 ( 14.618 5.692 6.212) 16.873 42.371 ( -11.227 -7.295 -0.379) 13.394 42.371 ( -11.227 7.295 -0.379) 13.394 42.951 ( -0.370 -3.799 -0.250) 3.825 42.951 ( -0.370 3.799 -0.250) 3.825 43.131 ( -7.165 -4.338 -4.841) 9.674 43.131 ( -7.165 4.338 -4.841) 9.674 ======================= Grid point 125 (48/60) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -2.886 -0.827 1.630) 3.417 1.778 ( -2.459 -0.336 1.630) 2.970 1.778 ( 2.459 0.336 1.630) 2.970 1.778 ( 2.886 0.827 1.630) 3.417 1.897 ( -2.742 -1.443 0.268) 3.111 1.897 ( -0.208 -0.463 0.268) 0.574 1.897 ( 0.208 0.463 0.268) 0.574 1.897 ( 2.742 1.443 0.268) 3.111 2.425 ( -4.860 -1.602 1.570) 5.353 2.425 ( -3.828 0.568 1.570) 4.176 2.425 ( 3.828 -0.568 1.570) 4.176 2.425 ( 4.860 1.602 1.570) 5.353 3.211 ( -14.098 -4.272 2.279) 14.906 3.211 ( -12.768 3.052 2.279) 13.324 3.211 ( 12.768 -3.052 2.279) 13.324 3.211 ( 14.098 4.272 2.279) 14.906 3.862 ( -17.073 -14.725 4.062) 22.909 3.862 ( 15.524 -14.290 4.062) 21.487 3.862 ( -15.524 14.290 4.062) 21.487 3.862 ( 17.073 14.725 4.062) 22.909 4.355 ( -11.284 -10.222 -3.507) 15.624 4.355 ( 4.035 -8.759 -3.507) 10.261 4.355 ( -4.035 8.759 -3.507) 10.261 4.355 ( 11.284 10.222 -3.507) 15.624 5.177 ( -2.226 -7.218 -3.076) 8.156 5.177 ( 1.467 -7.169 -3.076) 7.938 5.177 ( -1.467 7.169 -3.076) 7.938 5.177 ( 2.226 7.218 -3.076) 8.156 6.032 ( -14.945 -5.367 8.882) 18.195 6.032 ( -12.090 3.083 8.882) 15.315 6.032 ( 12.090 -3.083 8.882) 15.315 6.032 ( 14.945 5.367 8.882) 18.195 6.416 ( -12.204 -10.306 9.291) 18.479 6.416 ( 7.591 -9.132 9.291) 15.078 6.416 ( -7.591 9.132 9.291) 15.077 6.416 ( 12.204 10.306 9.291) 18.479 7.144 ( -7.754 -5.461 -1.427) 9.590 7.144 ( 0.843 -3.868 -1.427) 4.208 7.144 ( -0.843 3.868 -1.427) 4.208 7.144 ( 7.754 5.461 -1.427) 9.590 7.438 ( -15.174 -6.037 -0.535) 16.340 7.438 ( -9.190 0.036 -0.535) 9.206 7.438 ( 9.190 -0.036 -0.535) 9.206 7.438 ( 15.174 6.037 -0.535) 16.340 7.894 ( -15.185 -9.994 1.220) 18.220 7.894 ( 5.046 -6.971 1.220) 8.692 7.894 ( -5.046 6.971 1.220) 8.692 7.894 ( 15.185 9.994 1.220) 18.220 8.432 ( -4.576 -7.303 -8.485) 12.095 8.432 ( -0.536 -6.941 -8.485) 10.975 8.432 ( 0.536 6.941 -8.485) 10.975 8.432 ( 4.576 7.303 -8.485) 12.095 9.251 ( -2.481 -10.556 0.357) 10.850 9.251 ( 1.531 -10.511 0.357) 10.628 9.251 ( -1.531 10.511 0.357) 10.628 9.251 ( 2.481 10.556 0.357) 10.850 9.542 ( -2.756 -11.051 -10.890) 15.758 9.542 ( 2.538 -11.038 -10.890) 15.712 9.542 ( -2.538 11.038 -10.890) 15.712 9.542 ( 2.756 11.051 -10.890) 15.758 10.254 ( -9.994 -5.156 -2.875) 11.607 10.254 ( 0.473 -1.291 -2.875) 3.186 10.254 ( -0.473 1.291 -2.875) 3.186 10.254 ( 9.994 5.156 -2.875) 11.607 11.025 ( -4.285 -4.654 -8.439) 10.547 11.025 ( 2.756 -4.355 -8.439) 9.888 11.025 ( -2.756 4.355 -8.439) 9.888 11.025 ( 4.285 4.654 -8.439) 10.547 11.591 ( -8.983 -15.278 4.862) 18.378 11.591 ( 0.343 -14.604 4.862) 15.395 11.591 ( -0.343 14.604 4.862) 15.395 11.591 ( 8.983 15.278 4.862) 18.378 12.232 ( -4.625 -4.676 1.225) 6.690 12.232 ( -0.112 -4.065 1.225) 4.247 12.232 ( 0.112 4.065 1.225) 4.247 12.232 ( 4.625 4.676 1.225) 6.690 13.015 ( -3.217 -4.223 3.850) 6.558 13.015 ( 0.872 -3.929 3.850) 5.569 13.015 ( -0.872 3.929 3.850) 5.569 13.015 ( 3.218 4.223 3.850) 6.558 14.134 ( -19.815 -19.529 1.123) 27.844 14.134 ( 2.040 -16.861 1.123) 17.021 14.134 ( -2.040 16.861 1.123) 17.021 14.134 ( 19.815 19.529 1.123) 27.844 15.559 ( -8.744 -5.697 10.604) 14.878 15.559 ( -1.896 -3.774 10.604) 11.414 15.559 ( 1.896 3.774 10.604) 11.414 15.559 ( 8.744 5.697 10.604) 14.878 15.939 ( -23.341 -7.989 -4.082) 25.006 15.939 ( -18.193 3.220 -4.082) 18.921 15.939 ( 18.193 -3.220 -4.082) 18.921 15.939 ( 23.341 7.989 -4.082) 25.006 16.941 ( -5.970 -11.028 2.071) 12.710 16.941 ( 5.127 -10.922 2.071) 12.241 16.941 ( -5.127 10.922 2.071) 12.241 16.941 ( 5.970 11.028 2.071) 12.710 17.338 ( -10.046 -0.465 -2.537) 10.372 17.338 ( -10.043 0.448 -2.537) 10.368 17.338 ( 10.043 -0.448 -2.537) 10.368 17.338 ( 10.046 0.465 -2.537) 10.372 17.648 ( -17.786 -3.461 1.570) 18.187 17.648 ( -16.560 1.205 1.570) 16.678 17.648 ( 16.560 -1.205 1.570) 16.678 17.648 ( 17.786 3.461 1.570) 18.187 17.901 ( -7.914 -10.561 -4.900) 14.078 17.901 ( 5.725 -10.202 -4.900) 12.683 17.901 ( -5.725 10.202 -4.900) 12.683 17.901 ( 7.914 10.561 -4.900) 14.078 19.671 ( -1.734 -19.356 0.892) 19.453 19.671 ( 0.588 -19.338 0.892) 19.368 19.671 ( -0.588 19.338 0.892) 19.368 19.671 ( 1.734 19.356 0.892) 19.453 20.375 ( -1.018 -2.236 0.136) 2.461 20.375 ( 0.997 -2.234 0.136) 2.450 20.375 ( -0.997 2.234 0.136) 2.450 20.375 ( 1.018 2.236 0.136) 2.461 20.777 ( -3.636 -3.170 -0.916) 4.910 20.777 ( -1.017 -2.646 -0.916) 2.979 20.777 ( 1.017 2.646 -0.916) 2.979 20.777 ( 3.636 3.170 -0.916) 4.910 21.039 ( -3.030 -1.657 -1.636) 3.821 21.039 ( -1.498 -1.005 -1.636) 2.435 21.039 ( 1.498 1.005 -1.636) 2.435 21.039 ( 3.030 1.657 -1.636) 3.821 21.377 ( -5.011 -5.557 -0.883) 7.534 21.377 ( 4.565 -5.460 -0.883) 7.171 21.377 ( -4.565 5.460 -0.883) 7.171 21.377 ( 5.011 5.557 -0.883) 7.534 22.187 ( -5.537 -9.424 1.205) 10.997 22.187 ( 3.506 -9.177 1.205) 9.898 22.187 ( -3.506 9.177 1.205) 9.898 22.187 ( 5.537 9.424 1.205) 10.997 22.531 ( -8.786 -5.333 -0.720) 10.303 22.531 ( -3.598 -3.517 -0.720) 5.083 22.531 ( 3.598 3.517 -0.720) 5.083 22.531 ( 8.786 5.333 -0.720) 10.303 23.042 ( -3.821 -8.923 1.059) 9.764 23.042 ( -1.535 -8.750 1.059) 8.946 23.042 ( 1.535 8.750 1.059) 8.946 23.042 ( 3.821 8.923 1.059) 9.764 23.445 ( -3.290 -0.306 1.677) 3.705 23.445 ( -3.274 0.262 1.677) 3.688 23.445 ( 3.274 -0.262 1.677) 3.688 23.445 ( 3.290 0.306 1.677) 3.705 23.810 ( -2.592 -6.295 4.484) 8.152 23.810 ( 1.484 -6.205 4.484) 7.798 23.810 ( -1.484 6.205 4.484) 7.798 23.810 ( 2.592 6.295 4.484) 8.152 24.104 ( -3.605 -9.354 -0.869) 10.063 24.104 ( 3.333 -9.329 -0.869) 9.944 24.104 ( -3.333 9.329 -0.869) 9.944 24.104 ( 3.605 9.354 -0.869) 10.063 24.278 ( -9.376 -1.998 -0.804) 9.620 24.278 ( -8.498 -0.263 -0.804) 8.540 24.278 ( 8.498 0.263 -0.804) 8.540 24.278 ( 9.376 1.998 -0.804) 9.620 24.953 ( -9.969 -2.283 3.774) 10.901 24.953 ( -8.905 0.440 3.774) 9.682 24.953 ( 8.905 -0.440 3.774) 9.682 24.953 ( 9.969 2.283 3.774) 10.901 26.244 ( -2.165 -12.673 -7.102) 14.687 26.244 ( 1.677 -12.654 -7.102) 14.607 26.244 ( -1.677 12.654 -7.102) 14.607 26.244 ( 2.165 12.673 -7.102) 14.687 27.327 ( -3.019 -1.543 0.133) 3.393 27.327 ( -2.043 -1.070 0.133) 2.311 27.327 ( 2.043 1.070 0.133) 2.311 27.327 ( 3.019 1.543 0.133) 3.393 30.446 ( -7.994 -6.362 0.473) 10.228 30.446 ( -3.198 -5.202 0.473) 6.124 30.446 ( 3.198 5.202 0.473) 6.124 30.446 ( 7.994 6.362 0.473) 10.228 31.362 ( -3.271 -5.371 2.573) 6.795 31.362 ( 3.227 -5.364 2.573) 6.769 31.362 ( -3.227 5.364 2.573) 6.769 31.362 ( 3.271 5.371 2.573) 6.795 31.564 ( -0.352 -7.428 0.577) 7.459 31.564 ( 0.319 -7.428 0.577) 7.457 31.564 ( -0.319 7.428 0.577) 7.457 31.564 ( 0.352 7.428 0.577) 7.459 36.214 ( -4.193 -3.398 -1.340) 5.561 36.214 ( 1.469 -2.773 -1.340) 3.412 36.214 ( -1.469 2.773 -1.340) 3.412 36.214 ( 4.193 3.398 -1.340) 5.561 37.659 ( -10.908 -9.586 -2.718) 14.774 37.659 ( 4.074 -8.143 -2.718) 9.502 37.659 ( -4.074 8.143 -2.718) 9.502 37.659 ( 10.908 9.586 -2.718) 14.774 40.023 ( -6.863 -0.913 2.125) 7.242 40.023 ( -6.624 0.167 2.125) 6.959 40.023 ( 6.624 -0.167 2.125) 6.959 40.023 ( 6.863 0.913 2.125) 7.242 40.354 ( -7.368 -6.118 -5.839) 11.217 40.354 ( 7.291 -6.095 -5.839) 11.153 40.354 ( -7.291 6.095 -5.839) 11.153 40.354 ( 7.368 6.118 -5.839) 11.217 42.124 ( -11.223 -8.213 4.789) 14.709 42.124 ( -4.011 -6.324 4.789) 8.889 42.124 ( 4.011 6.324 4.789) 8.889 42.124 ( 11.223 8.213 4.789) 14.709 43.001 ( -5.209 -5.144 -4.035) 8.359 43.001 ( 4.726 -5.026 -4.035) 7.992 43.001 ( -4.726 5.026 -4.035) 7.992 43.001 ( 5.209 5.144 -4.035) 8.359 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 0.000 -0.383) 0.383 1.604 ( 0.000 0.000 0.383) 0.383 1.814 ( 0.000 0.000 -4.819) 4.819 1.814 ( 0.000 0.000 4.819) 4.819 1.843 ( 0.000 0.000 -0.265) 0.265 1.843 ( 0.000 0.000 0.265) 0.265 2.007 ( 0.000 0.000 -0.782) 0.782 2.007 ( 0.000 0.000 0.782) 0.782 2.302 ( 0.000 0.000 -0.783) 0.783 2.302 ( 0.000 0.000 0.783) 0.783 2.631 ( 0.000 0.000 -3.441) 3.441 2.631 ( 0.000 0.000 3.441) 3.441 3.138 ( 0.000 0.000 -8.057) 8.057 3.138 ( 0.000 0.000 8.057) 8.057 3.445 ( 0.000 0.000 -12.338) 12.338 3.445 ( 0.000 0.000 12.338) 12.338 4.018 ( 0.000 0.000 -16.734) 16.734 4.018 ( 0.000 0.000 16.734) 16.734 4.264 ( 0.000 0.000 -1.993) 1.993 4.264 ( 0.000 0.000 1.993) 1.993 4.528 ( 0.000 0.000 -4.428) 4.428 4.528 ( 0.000 0.000 4.428) 4.428 4.617 ( 0.000 0.000 -1.605) 1.605 4.617 ( 0.000 0.000 1.605) 1.605 4.677 ( 0.000 0.000 -1.843) 1.843 4.677 ( 0.000 0.000 1.843) 1.843 5.149 ( 0.000 0.000 -3.472) 3.472 5.149 ( 0.000 0.000 3.472) 3.472 5.608 ( 0.000 0.000 -2.468) 2.468 5.608 ( 0.000 0.000 2.468) 2.468 5.786 ( 0.000 0.000 -11.062) 11.062 5.786 ( 0.000 0.000 11.062) 11.062 6.175 ( 0.000 0.000 -11.350) 11.350 6.175 ( 0.000 0.000 11.350) 11.350 6.397 ( 0.000 0.000 -24.098) 24.098 6.397 ( 0.000 0.000 24.098) 24.098 6.691 ( 0.000 0.000 -0.734) 0.734 6.691 ( 0.000 0.000 0.734) 0.734 6.697 ( 0.000 0.000 -0.273) 0.273 6.697 ( 0.000 0.000 0.273) 0.273 7.185 ( 0.000 0.000 -9.630) 9.630 7.185 ( 0.000 0.000 9.630) 9.630 7.431 ( 0.000 0.000 -1.915) 1.915 7.431 ( 0.000 0.000 1.915) 1.915 7.835 ( 0.000 0.000 -22.562) 22.562 7.835 ( 0.000 0.000 22.562) 22.562 8.354 ( 0.000 0.000 -16.478) 16.478 8.354 ( 0.000 0.000 16.478) 16.478 8.669 ( 0.000 0.000 -3.629) 3.629 8.669 ( 0.000 0.000 3.629) 3.629 8.964 ( 0.000 0.000 -20.780) 20.780 8.964 ( 0.000 0.000 20.780) 20.780 9.012 ( 0.000 0.000 -3.312) 3.312 9.012 ( 0.000 0.000 3.312) 3.312 9.157 ( 0.000 0.000 -18.552) 18.552 9.157 ( 0.000 0.000 18.552) 18.552 9.412 ( 0.000 0.000 -10.295) 10.295 9.412 ( 0.000 0.000 10.295) 10.295 9.827 ( 0.000 0.000 -5.470) 5.470 9.827 ( 0.000 0.000 5.470) 5.470 9.937 ( 0.000 0.000 -16.010) 16.010 9.937 ( 0.000 0.000 16.010) 16.010 10.296 ( 0.000 0.000 -6.325) 6.325 10.296 ( 0.000 0.000 6.325) 6.325 10.530 ( 0.000 0.000 -11.424) 11.424 10.530 ( 0.000 0.000 11.424) 11.424 11.297 ( 0.000 0.000 -2.081) 2.081 11.297 ( 0.000 0.000 2.081) 2.081 11.484 ( 0.000 0.000 -1.495) 1.495 11.484 ( 0.000 0.000 1.495) 1.495 12.102 ( 0.000 0.000 -16.380) 16.380 12.102 ( 0.000 0.000 16.380) 16.380 12.117 ( 0.000 0.000 -4.592) 4.592 12.117 ( 0.000 0.000 4.592) 4.592 12.781 ( 0.000 0.000 -7.278) 7.278 12.781 ( 0.000 0.000 7.278) 7.278 12.982 ( 0.000 0.000 -7.868) 7.868 12.982 ( 0.000 0.000 7.868) 7.868 13.384 ( 0.000 0.000 -16.233) 16.233 13.384 ( 0.000 0.000 16.233) 16.233 13.496 ( 0.000 0.000 -5.044) 5.044 13.496 ( 0.000 0.000 5.044) 5.044 14.638 ( 0.000 0.000 -8.134) 8.134 14.638 ( 0.000 0.000 8.134) 8.134 14.799 ( 0.000 0.000 -0.187) 0.187 14.799 ( 0.000 0.000 0.187) 0.187 15.137 ( 0.000 0.000 -8.260) 8.260 15.137 ( 0.000 0.000 8.260) 8.260 16.095 ( 0.000 0.000 -14.540) 14.540 16.095 ( 0.000 0.000 14.540) 14.540 16.354 ( 0.000 0.000 -22.496) 22.496 16.354 ( 0.000 0.000 22.496) 22.496 16.758 ( 0.000 0.000 -2.964) 2.964 16.758 ( 0.000 0.000 2.964) 2.964 16.985 ( 0.000 0.000 -11.369) 11.369 16.985 ( 0.000 0.000 11.369) 11.369 17.061 ( 0.000 0.000 -4.811) 4.811 17.061 ( 0.000 0.000 4.811) 4.811 17.328 ( 0.000 0.000 -1.366) 1.366 17.328 ( 0.000 0.000 1.366) 1.366 17.924 ( 0.000 0.000 -5.193) 5.193 17.924 ( 0.000 0.000 5.193) 5.193 18.159 ( 0.000 0.000 -9.995) 9.995 18.159 ( 0.000 0.000 9.995) 9.995 18.551 ( 0.000 0.000 -3.568) 3.568 18.551 ( 0.000 0.000 3.568) 3.568 18.556 ( 0.000 0.000 -1.147) 1.147 18.556 ( 0.000 0.000 1.147) 1.147 18.804 ( 0.000 0.000 -3.366) 3.366 18.804 ( 0.000 0.000 3.366) 3.366 20.155 ( 0.000 0.000 -6.670) 6.670 20.155 ( 0.000 0.000 6.670) 6.670 20.257 ( 0.000 0.000 -5.752) 5.752 20.257 ( 0.000 0.000 5.752) 5.752 20.345 ( 0.000 0.000 -0.199) 0.199 20.345 ( 0.000 0.000 0.199) 0.199 20.434 ( 0.000 0.000 -3.705) 3.705 20.434 ( 0.000 0.000 3.705) 3.705 20.764 ( 0.000 0.000 -5.328) 5.328 20.764 ( 0.000 0.000 5.328) 5.328 20.785 ( 0.000 0.000 -3.595) 3.595 20.785 ( 0.000 0.000 3.595) 3.595 20.940 ( 0.000 0.000 -4.079) 4.079 20.940 ( 0.000 0.000 4.079) 4.079 21.069 ( 0.000 0.000 -4.728) 4.728 21.069 ( 0.000 0.000 4.728) 4.728 21.589 ( 0.000 0.000 -2.381) 2.381 21.589 ( 0.000 0.000 2.381) 2.381 21.668 ( 0.000 0.000 -0.455) 0.455 21.668 ( 0.000 0.000 0.455) 0.455 22.143 ( 0.000 0.000 -12.246) 12.246 22.143 ( 0.000 0.000 12.246) 12.246 22.445 ( 0.000 0.000 -7.710) 7.710 22.445 ( 0.000 0.000 7.710) 7.710 22.651 ( 0.000 0.000 -3.140) 3.140 22.651 ( 0.000 0.000 3.140) 3.140 22.790 ( 0.000 0.000 -3.788) 3.788 22.790 ( 0.000 0.000 3.788) 3.788 23.200 ( 0.000 0.000 -2.971) 2.971 23.200 ( 0.000 0.000 2.971) 2.971 23.351 ( 0.000 0.000 -0.774) 0.774 23.351 ( 0.000 0.000 0.774) 0.774 23.456 ( 0.000 0.000 -4.670) 4.670 23.456 ( 0.000 0.000 4.670) 4.670 23.622 ( 0.000 0.000 -6.875) 6.875 23.622 ( 0.000 0.000 6.875) 6.875 23.709 ( 0.000 0.000 -0.481) 0.481 23.709 ( 0.000 0.000 0.481) 0.481 23.882 ( 0.000 0.000 -6.820) 6.820 23.882 ( 0.000 0.000 6.820) 6.820 24.062 ( 0.000 0.000 -3.414) 3.414 24.062 ( 0.000 0.000 3.414) 3.414 24.780 ( 0.000 0.000 -4.855) 4.855 24.780 ( 0.000 0.000 4.855) 4.855 25.089 ( 0.000 0.000 -5.567) 5.567 25.089 ( 0.000 0.000 5.567) 5.567 25.093 ( 0.000 0.000 -11.102) 11.102 25.093 ( 0.000 0.000 11.102) 11.102 25.433 ( 0.000 0.000 -27.253) 27.253 25.433 ( 0.000 0.000 27.253) 27.253 25.938 ( 0.000 0.000 -7.624) 7.624 25.938 ( 0.000 0.000 7.624) 7.624 26.199 ( 0.000 0.000 -3.356) 3.356 26.199 ( 0.000 0.000 3.356) 3.356 27.210 ( 0.000 0.000 -0.246) 0.246 27.210 ( 0.000 0.000 0.246) 0.246 27.348 ( 0.000 0.000 -0.318) 0.318 27.348 ( 0.000 0.000 0.318) 0.318 30.259 ( 0.000 0.000 -4.299) 4.299 30.259 ( 0.000 0.000 4.299) 4.299 30.847 ( 0.000 0.000 -1.794) 1.794 30.847 ( 0.000 0.000 1.794) 1.794 31.183 ( 0.000 0.000 -0.862) 0.862 31.183 ( 0.000 0.000 0.862) 0.862 31.216 ( 0.000 0.000 -3.402) 3.402 31.216 ( 0.000 0.000 3.402) 3.402 31.345 ( 0.000 0.000 -0.919) 0.919 31.345 ( 0.000 0.000 0.919) 0.919 31.715 ( 0.000 0.000 -0.900) 0.900 31.715 ( 0.000 0.000 0.900) 0.900 35.859 ( 0.000 0.000 -0.505) 0.505 35.859 ( 0.000 0.000 0.505) 0.505 36.048 ( 0.000 0.000 -2.946) 2.946 36.048 ( 0.000 0.000 2.946) 2.946 37.564 ( 0.000 0.000 -13.546) 13.546 37.564 ( 0.000 0.000 13.546) 13.546 37.974 ( 0.000 0.000 -16.931) 16.931 37.974 ( 0.000 0.000 16.931) 16.931 39.616 ( 0.000 0.000 -2.463) 2.463 39.616 ( 0.000 0.000 2.463) 2.463 39.733 ( 0.000 0.000 -3.532) 3.532 39.733 ( 0.000 0.000 3.532) 3.532 40.624 ( 0.000 0.000 -10.641) 10.641 40.624 ( 0.000 0.000 10.641) 10.641 40.702 ( 0.000 0.000 -0.139) 0.139 40.702 ( 0.000 0.000 0.139) 0.139 41.389 ( 0.000 0.000 -11.340) 11.340 41.389 ( 0.000 0.000 11.340) 11.340 42.589 ( 0.000 0.000 -14.524) 14.524 42.589 ( 0.000 0.000 14.524) 14.524 43.151 ( 0.000 0.000 -9.919) 9.919 43.151 ( 0.000 0.000 9.919) 9.919 43.204 ( 0.000 0.000 -2.297) 2.297 43.204 ( 0.000 0.000 2.297) 2.297 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 3.608 0.000 -0.228) 3.616 1.643 ( 3.608 0.000 0.228) 3.616 1.828 ( 1.089 0.000 -2.616) 2.834 1.828 ( 1.089 0.000 2.616) 2.834 1.858 ( 1.546 0.000 -1.307) 2.024 1.858 ( 1.546 0.000 1.307) 2.024 1.983 ( -2.345 0.000 -0.866) 2.500 1.983 ( -2.345 0.000 0.866) 2.500 2.312 ( 1.163 0.000 -1.562) 1.948 2.312 ( 1.163 0.000 1.562) 1.948 2.617 ( -1.714 0.000 -2.795) 3.279 2.617 ( -1.714 0.000 2.795) 3.279 3.125 ( -0.679 0.000 -10.568) 10.589 3.125 ( -0.679 0.000 10.568) 10.589 3.447 ( 0.183 0.000 -21.596) 21.597 3.447 ( 0.183 0.000 21.596) 21.597 3.973 ( -5.693 0.000 -13.084) 14.269 3.973 ( -5.693 0.000 13.084) 14.269 4.177 ( -8.989 0.000 -13.171) 15.946 4.177 ( -8.989 0.000 13.171) 15.946 4.468 ( 3.646 0.000 -7.053) 7.940 4.468 ( 3.646 0.000 7.053) 7.940 4.604 ( -0.661 0.000 -3.490) 3.552 4.604 ( -0.661 0.000 3.490) 3.552 4.945 ( 16.126 0.000 -11.967) 20.081 4.945 ( 16.126 0.000 11.967) 20.081 5.085 ( -3.503 0.000 -7.250) 8.052 5.085 ( -3.503 0.000 7.250) 8.052 5.778 ( 9.867 0.000 -6.372) 11.746 5.778 ( 9.867 0.000 6.372) 11.746 5.923 ( 10.184 0.000 -24.164) 26.222 5.923 ( 10.184 0.000 24.164) 26.222 6.051 ( -0.222 0.000 -5.232) 5.236 6.051 ( -0.222 0.000 5.232) 5.236 6.148 ( -15.172 0.000 -15.140) 21.433 6.148 ( -15.172 0.000 15.140) 21.433 6.776 ( 2.506 0.000 -10.816) 11.103 6.776 ( 2.506 0.000 10.816) 11.103 6.973 ( 18.266 0.000 -9.324) 20.508 6.973 ( 18.266 0.000 9.324) 20.508 7.224 ( 4.042 0.000 -7.494) 8.515 7.224 ( 4.042 0.000 7.494) 8.515 7.370 ( -4.736 0.000 -7.152) 8.578 7.370 ( -4.736 0.000 7.152) 8.578 7.859 ( 1.776 0.000 -10.921) 11.064 7.859 ( 1.776 0.000 10.921) 11.064 8.298 ( -5.460 0.000 -12.206) 13.372 8.298 ( -5.460 0.000 12.206) 13.372 8.713 ( 2.861 0.000 -10.992) 11.358 8.713 ( 2.861 0.000 10.992) 11.358 8.939 ( -2.159 0.000 -16.295) 16.437 8.939 ( -2.159 0.000 16.295) 16.437 9.058 ( 2.347 0.000 -2.357) 3.326 9.058 ( 2.347 0.000 2.357) 3.326 9.169 ( 2.722 0.000 -12.095) 12.397 9.169 ( 2.722 0.000 12.095) 12.397 9.321 ( -7.630 0.000 -6.951) 10.322 9.321 ( -7.630 0.000 6.951) 10.322 9.787 ( -3.302 0.000 -6.347) 7.154 9.787 ( -3.302 0.000 6.347) 7.154 9.874 ( -4.715 0.000 -12.301) 13.174 9.874 ( -4.715 0.000 12.301) 13.174 10.284 ( -0.136 0.000 -2.443) 2.447 10.284 ( -0.136 0.000 2.443) 2.447 10.589 ( 5.425 0.000 -12.289) 13.433 10.589 ( 5.425 0.000 12.289) 13.433 11.296 ( -1.016 0.000 -2.711) 2.895 11.296 ( -1.016 0.000 2.711) 2.895 11.475 ( -0.217 0.000 -2.284) 2.294 11.475 ( -0.217 0.000 2.284) 2.294 12.011 ( -7.185 0.000 -12.078) 14.054 12.011 ( -7.185 0.000 12.078) 14.054 12.270 ( 10.310 0.000 -4.273) 11.161 12.270 ( 10.310 0.000 4.273) 11.161 12.744 ( -4.484 0.000 -7.406) 8.658 12.744 ( -4.484 0.000 7.406) 8.658 13.039 ( 1.773 0.000 -5.491) 5.770 13.039 ( 1.773 0.000 5.491) 5.770 13.175 ( -10.281 0.000 -11.841) 15.681 13.175 ( -10.281 0.000 11.841) 15.681 13.365 ( -12.863 0.000 -4.124) 13.508 13.365 ( -12.863 0.000 4.124) 13.508 14.825 ( 10.656 0.000 -2.838) 11.027 14.825 ( 10.656 0.000 2.838) 11.027 14.971 ( 17.000 0.000 -7.514) 18.587 14.971 ( 17.000 0.000 7.514) 18.587 15.143 ( 4.066 0.000 -6.087) 7.320 15.143 ( 4.066 0.000 6.087) 7.320 16.103 ( 0.322 0.000 -12.976) 12.980 16.103 ( 0.322 0.000 12.976) 12.980 16.255 ( -8.212 0.000 -16.647) 18.562 16.255 ( -8.212 0.000 16.647) 18.562 16.766 ( -0.075 0.000 -2.532) 2.533 16.766 ( -0.075 0.000 2.532) 2.533 16.928 ( -4.523 0.000 -9.987) 10.963 16.928 ( -4.523 0.000 9.987) 10.963 17.116 ( 5.369 0.000 -4.601) 7.071 17.116 ( 5.369 0.000 4.601) 7.071 17.333 ( 0.347 0.000 -1.019) 1.077 17.333 ( 0.347 0.000 1.019) 1.077 17.824 ( -7.881 0.000 -3.319) 8.551 17.824 ( -7.881 0.000 3.319) 8.551 18.050 ( -10.924 0.000 -10.448) 15.116 18.050 ( -10.924 0.000 10.448) 15.116 18.458 ( -16.766 0.000 -6.998) 18.168 18.458 ( -16.766 0.000 6.998) 18.168 18.472 ( -7.280 0.000 -1.733) 7.484 18.472 ( -7.280 0.000 1.733) 7.484 18.834 ( 9.181 0.000 -4.299) 10.138 18.834 ( 9.181 0.000 4.299) 10.138 20.122 ( -0.852 0.000 -1.774) 1.968 20.122 ( -0.852 0.000 1.774) 1.968 20.236 ( 0.005 0.000 -5.565) 5.565 20.236 ( 0.005 0.000 5.565) 5.565 20.408 ( 3.800 0.000 -2.991) 4.836 20.408 ( 3.800 0.000 2.991) 4.836 20.540 ( 6.791 0.000 -3.186) 7.501 20.540 ( 6.791 0.000 3.186) 7.501 20.786 ( 1.866 0.000 -3.945) 4.364 20.786 ( 1.866 0.000 3.945) 4.364 20.825 ( 3.868 0.000 -3.542) 5.244 20.825 ( 3.868 0.000 3.542) 5.244 21.047 ( 10.032 0.000 -6.275) 11.833 21.047 ( 10.032 0.000 6.275) 11.833 21.080 ( 1.159 0.000 -4.288) 4.441 21.080 ( 1.159 0.000 4.288) 4.441 21.591 ( -7.017 0.000 -1.938) 7.279 21.591 ( -7.017 0.000 1.938) 7.279 21.727 ( 12.735 0.000 -2.320) 12.945 21.727 ( 12.735 0.000 2.320) 12.945 22.112 ( -2.201 0.000 -13.498) 13.676 22.112 ( -2.201 0.000 13.498) 13.676 22.489 ( 2.131 0.000 -6.193) 6.549 22.489 ( 2.131 0.000 6.193) 6.549 22.659 ( 2.112 0.000 -5.708) 6.086 22.659 ( 2.112 0.000 5.708) 6.086 22.833 ( 3.525 0.000 -3.542) 4.997 22.833 ( 3.525 0.000 3.542) 4.997 23.221 ( 2.392 0.000 -2.532) 3.484 23.221 ( 2.392 0.000 2.532) 3.484 23.288 ( -5.572 0.000 -9.828) 11.298 23.288 ( -5.572 0.000 9.828) 11.298 23.478 ( 2.952 0.000 -1.138) 3.164 23.478 ( 2.952 0.000 1.138) 3.164 23.651 ( -4.325 0.000 -3.595) 5.624 23.651 ( -4.325 0.000 3.595) 5.624 23.713 ( 7.169 0.000 -8.982) 11.492 23.713 ( 7.169 0.000 8.982) 11.492 23.966 ( 6.410 0.000 -7.001) 9.492 23.966 ( 6.410 0.000 7.001) 9.492 24.060 ( 0.547 0.000 -2.040) 2.112 24.060 ( 0.547 0.000 2.040) 2.112 24.692 ( -6.918 0.000 -3.272) 7.653 24.692 ( -6.918 0.000 3.272) 7.653 24.890 ( -17.772 0.000 -7.829) 19.420 24.890 ( -17.772 0.000 7.829) 19.420 25.023 ( -7.217 0.000 -10.128) 12.436 25.023 ( -7.217 0.000 10.128) 12.436 25.378 ( -6.961 0.000 -15.307) 16.816 25.378 ( -6.961 0.000 15.307) 16.816 25.927 ( -0.928 0.000 -7.109) 7.169 25.927 ( -0.928 0.000 7.109) 7.169 26.262 ( 6.206 0.000 -1.127) 6.307 26.262 ( 6.206 0.000 1.127) 6.307 27.231 ( 1.613 0.000 -0.468) 1.680 27.231 ( 1.613 0.000 0.468) 1.680 27.349 ( 0.181 0.000 -0.463) 0.497 27.349 ( 0.181 0.000 0.463) 0.497 30.281 ( 2.096 0.000 -4.765) 5.206 30.281 ( 2.096 0.000 4.765) 5.206 30.868 ( 2.024 0.000 -2.244) 3.022 30.868 ( 2.024 0.000 2.244) 3.022 31.078 ( -6.860 0.000 -2.880) 7.440 31.078 ( -6.860 0.000 2.880) 7.440 31.212 ( -0.404 0.000 -3.286) 3.311 31.212 ( -0.404 0.000 3.286) 3.311 31.464 ( 8.205 0.000 -2.702) 8.638 31.464 ( 8.205 0.000 2.702) 8.638 31.734 ( 1.616 0.000 -1.197) 2.012 31.734 ( 1.616 0.000 1.197) 2.012 35.921 ( 5.826 0.000 -2.683) 6.414 35.921 ( 5.826 0.000 2.683) 6.414 36.108 ( 5.596 0.000 -3.742) 6.732 36.108 ( 5.596 0.000 3.742) 6.732 37.537 ( -2.634 0.000 -12.337) 12.615 37.537 ( -2.634 0.000 12.337) 12.615 37.946 ( -2.676 0.000 -15.313) 15.545 37.946 ( -2.676 0.000 15.313) 15.545 39.702 ( 8.316 0.000 -2.940) 8.821 39.702 ( 8.316 0.000 2.940) 8.821 39.765 ( 3.378 0.000 -3.656) 4.977 39.765 ( 3.378 0.000 3.656) 4.977 40.552 ( -12.530 0.000 -5.148) 13.546 40.552 ( -12.530 0.000 5.148) 13.546 40.609 ( -1.579 0.000 -10.397) 10.516 40.609 ( -1.579 0.000 10.397) 10.516 41.544 ( 12.980 0.000 -10.168) 16.488 41.544 ( 12.980 0.000 10.168) 16.488 42.543 ( -4.288 0.000 -13.390) 14.060 42.543 ( -4.288 0.000 13.390) 14.060 43.119 ( -2.960 0.000 -9.340) 9.798 43.119 ( -2.960 0.000 9.340) 9.798 43.139 ( -6.300 0.000 -3.404) 7.161 43.139 ( -6.300 0.000 3.404) 7.161 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 4.830 0.000 -0.123) 4.831 1.729 ( 4.830 0.000 0.123) 4.831 1.847 ( 0.789 0.000 -0.403) 0.886 1.847 ( 0.789 0.000 0.403) 0.886 1.892 ( 1.398 0.000 -1.596) 2.121 1.892 ( 1.398 0.000 1.596) 2.121 1.921 ( -3.735 0.000 -0.564) 3.777 1.921 ( -3.735 0.000 0.564) 3.777 2.357 ( 3.510 0.000 -2.499) 4.308 2.357 ( 3.510 0.000 2.499) 4.308 2.556 ( -4.379 0.000 -0.997) 4.491 2.556 ( -4.379 0.000 0.997) 4.491 3.160 ( 5.444 0.000 -5.878) 8.012 3.160 ( 5.444 0.000 5.878) 8.012 3.467 ( 2.144 0.000 -24.156) 24.251 3.467 ( 2.144 0.000 24.156) 24.251 3.749 ( -16.318 0.000 -2.075) 16.449 3.749 ( -16.318 0.000 2.075) 16.449 3.991 ( -8.843 0.000 -12.746) 15.513 3.991 ( -8.843 0.000 12.746) 15.513 4.584 ( 5.627 0.000 -2.467) 6.144 4.584 ( 5.627 0.000 2.467) 6.144 4.672 ( 8.433 0.000 -12.170) 14.806 4.672 ( 8.433 0.000 12.170) 14.806 5.033 ( -3.522 0.000 -2.111) 4.107 5.033 ( -3.522 0.000 2.111) 4.107 5.208 ( 8.160 0.000 -5.361) 9.764 5.208 ( 8.160 0.000 5.361) 9.764 5.774 ( 3.550 0.000 -8.789) 9.479 5.774 ( 3.550 0.000 8.789) 9.479 5.822 ( -11.812 0.000 -9.735) 15.307 5.822 ( -11.812 0.000 9.735) 15.307 6.182 ( 9.619 0.000 -16.530) 19.125 6.182 ( 9.619 0.000 16.530) 19.125 6.436 ( 19.667 0.000 -4.418) 20.157 6.436 ( 19.667 0.000 4.418) 20.157 6.680 ( -4.885 0.000 -9.075) 10.306 6.680 ( -4.885 0.000 9.075) 10.306 7.198 ( 3.693 0.000 -8.501) 9.268 7.198 ( 3.693 0.000 8.501) 9.268 7.282 ( -6.117 0.000 -8.132) 10.176 7.282 ( -6.117 0.000 8.132) 10.176 7.439 ( 17.984 0.000 -14.694) 23.224 7.439 ( 17.984 0.000 14.694) 23.224 7.906 ( 4.037 0.000 -7.078) 8.148 7.906 ( 4.037 0.000 7.078) 8.148 8.145 ( -10.304 0.000 -5.356) 11.613 8.145 ( -10.304 0.000 5.356) 11.613 8.654 ( -9.219 0.000 -14.987) 17.596 8.654 ( -9.219 0.000 14.987) 17.596 8.905 ( -1.098 0.000 -9.175) 9.240 8.905 ( -1.098 0.000 9.175) 9.240 8.957 ( -10.842 0.000 -7.732) 13.317 8.957 ( -10.842 0.000 7.732) 13.317 9.241 ( -0.788 0.000 -6.134) 6.185 9.241 ( -0.788 0.000 6.134) 6.185 9.351 ( 15.174 0.000 -0.751) 15.193 9.351 ( 15.174 0.000 0.751) 15.193 9.723 ( -3.348 0.000 -7.476) 8.191 9.723 ( -3.348 0.000 7.476) 8.191 9.882 ( 7.031 0.000 -13.252) 15.001 9.882 ( 7.031 0.000 13.252) 15.002 10.259 ( -3.998 0.000 -5.021) 6.418 10.259 ( -3.998 0.000 5.021) 6.418 10.722 ( 8.101 0.000 -12.810) 15.157 10.722 ( 8.101 0.000 12.810) 15.157 11.201 ( -9.671 0.000 -4.413) 10.630 11.201 ( -9.671 0.000 4.413) 10.630 11.491 ( 1.755 0.000 -1.762) 2.487 11.491 ( 1.755 0.000 1.762) 2.487 11.932 ( 1.007 0.000 -6.951) 7.024 11.932 ( 1.007 0.000 6.951) 7.024 12.348 ( -2.468 0.000 -4.482) 5.117 12.348 ( -2.468 0.000 4.482) 5.117 12.558 ( -14.850 0.000 -6.419) 16.178 12.558 ( -14.850 0.000 6.419) 16.178 12.779 ( -12.678 0.000 -3.844) 13.248 12.779 ( -12.678 0.000 3.844) 13.248 13.106 ( -9.647 0.000 -2.554) 9.979 13.106 ( -9.647 0.000 2.554) 9.979 13.462 ( 24.211 0.000 -16.796) 29.467 13.462 ( 24.211 0.000 16.796) 29.467 14.764 ( -12.966 0.000 -11.419) 17.277 14.764 ( -12.966 0.000 11.419) 17.277 15.396 ( 23.737 0.000 -10.903) 26.121 15.396 ( 23.737 0.000 10.903) 26.121 15.432 ( 20.143 0.000 -4.895) 20.729 15.432 ( 20.143 0.000 4.895) 20.729 16.053 ( -7.096 0.000 -4.636) 8.477 16.053 ( -7.096 0.000 4.636) 8.477 16.074 ( -10.554 0.000 -11.136) 15.342 16.074 ( -10.554 0.000 11.136) 15.342 16.777 ( 2.492 0.000 -2.878) 3.807 16.777 ( 2.492 0.000 2.878) 3.807 16.893 ( 2.859 0.000 -4.968) 5.732 16.893 ( 2.859 0.000 4.968) 5.732 17.235 ( 5.661 0.000 -2.420) 6.156 17.235 ( 5.661 0.000 2.420) 6.156 17.337 ( -0.010 0.000 -2.275) 2.275 17.337 ( -0.010 0.000 2.275) 2.275 17.677 ( -6.413 0.000 -2.131) 6.758 17.677 ( -6.413 0.000 2.131) 6.758 17.765 ( -16.332 0.000 -7.031) 17.781 17.765 ( -16.332 0.000 7.031) 17.781 18.015 ( -23.697 0.000 -6.641) 24.610 18.015 ( -23.697 0.000 6.641) 24.610 18.335 ( -5.465 0.000 -1.586) 5.691 18.335 ( -5.465 0.000 1.586) 5.691 19.048 ( 9.506 0.000 -3.488) 10.126 19.048 ( 9.506 0.000 3.488) 10.126 20.145 ( 2.476 0.000 -1.799) 3.061 20.145 ( 2.476 0.000 1.799) 3.061 20.258 ( 1.453 0.000 -3.322) 3.626 20.258 ( 1.453 0.000 3.322) 3.626 20.455 ( 1.021 0.000 -2.419) 2.626 20.455 ( 1.021 0.000 2.419) 2.626 20.630 ( 2.342 0.000 -0.843) 2.490 20.630 ( 2.342 0.000 0.843) 2.490 20.836 ( 3.153 0.000 -2.195) 3.842 20.836 ( 3.153 0.000 2.195) 3.842 20.916 ( 4.510 0.000 -2.370) 5.095 20.916 ( 4.510 0.000 2.370) 5.095 21.110 ( 1.501 0.000 -2.992) 3.347 21.110 ( 1.501 0.000 2.992) 3.347 21.258 ( 9.100 0.000 -9.018) 12.811 21.258 ( 9.100 0.000 9.018) 12.811 21.440 ( -6.788 0.000 -6.047) 9.090 21.440 ( -6.788 0.000 6.047) 9.090 21.982 ( 9.652 0.000 -3.429) 10.243 21.982 ( 9.652 0.000 3.429) 10.243 22.104 ( 2.567 0.000 -12.774) 13.029 22.104 ( 2.567 0.000 12.774) 13.029 22.463 ( -3.536 0.000 -3.210) 4.775 22.463 ( -3.536 0.000 3.210) 4.775 22.765 ( 7.108 0.000 -7.725) 10.497 22.765 ( 7.108 0.000 7.725) 10.497 22.900 ( 3.192 0.000 -1.319) 3.454 22.900 ( 3.192 0.000 1.319) 3.454 23.166 ( -6.277 0.000 -10.272) 12.038 23.166 ( -6.277 0.000 10.272) 12.038 23.294 ( 4.854 0.000 -0.112) 4.856 23.294 ( 4.854 0.000 0.112) 4.856 23.559 ( -5.340 0.000 -2.823) 6.040 23.559 ( -5.340 0.000 2.823) 6.040 23.564 ( 5.269 0.000 -0.826) 5.333 23.564 ( 5.269 0.000 0.826) 5.333 23.801 ( -0.138 0.000 -8.758) 8.759 23.801 ( -0.138 0.000 8.758) 8.759 24.059 ( 1.789 0.000 -6.661) 6.897 24.059 ( 1.789 0.000 6.661) 6.897 24.160 ( 11.366 0.000 -6.015) 12.860 24.160 ( 11.366 0.000 6.015) 12.860 24.512 ( -16.420 0.000 -6.590) 17.693 24.512 ( -16.420 0.000 6.590) 17.693 24.635 ( 2.708 0.000 -1.247) 2.981 24.635 ( 2.708 0.000 1.247) 2.981 24.811 ( -14.145 0.000 -8.297) 16.398 24.811 ( -14.145 0.000 8.297) 16.398 25.147 ( -15.606 0.000 -4.608) 16.272 25.147 ( -15.606 0.000 4.608) 16.272 25.912 ( -0.444 0.000 -4.280) 4.303 25.912 ( -0.444 0.000 4.280) 4.303 26.408 ( 7.203 0.000 -1.146) 7.294 26.408 ( 7.203 0.000 1.146) 7.294 27.253 ( 0.466 0.000 -0.632) 0.785 27.253 ( 0.466 0.000 0.632) 0.785 27.355 ( 0.372 0.000 -0.410) 0.553 27.355 ( 0.372 0.000 0.410) 0.553 30.328 ( 2.299 0.000 -4.100) 4.700 30.328 ( 2.299 0.000 4.100) 4.700 30.912 ( 2.033 0.000 -2.036) 2.877 30.912 ( 2.033 0.000 2.036) 2.877 30.962 ( -4.637 0.000 -2.752) 5.392 30.962 ( -4.637 0.000 2.752) 5.392 31.202 ( -0.511 0.000 -2.405) 2.458 31.202 ( -0.511 0.000 2.405) 2.458 31.612 ( 6.336 0.000 -3.290) 7.139 31.612 ( 6.336 0.000 3.290) 7.139 31.760 ( 0.527 0.000 -2.262) 2.322 31.760 ( 0.527 0.000 2.262) 2.322 36.052 ( 6.373 0.000 -3.048) 7.064 36.052 ( 6.373 0.000 3.048) 7.064 36.231 ( 5.754 0.000 -3.494) 6.732 36.231 ( 5.754 0.000 3.494) 6.732 37.475 ( -3.190 0.000 -8.015) 8.627 37.475 ( -3.190 0.000 8.015) 8.627 37.883 ( -3.153 0.000 -9.694) 10.194 37.883 ( -3.153 0.000 9.694) 10.194 39.866 ( 6.850 0.000 -4.135) 8.001 39.866 ( 6.850 0.000 4.135) 8.001 39.900 ( 10.300 0.000 -3.315) 10.820 39.900 ( 10.300 0.000 3.315) 10.820 40.291 ( -13.164 0.000 -5.886) 14.420 40.291 ( -13.164 0.000 5.886) 14.420 40.561 ( -3.131 0.000 -8.283) 8.855 40.561 ( -3.131 0.000 8.283) 8.855 41.805 ( 11.914 0.000 -7.065) 13.851 41.805 ( 11.914 0.000 7.065) 13.851 42.449 ( -4.500 0.000 -8.717) 9.810 42.449 ( -4.500 0.000 8.717) 9.810 42.986 ( -8.073 0.000 -3.805) 8.925 42.986 ( -8.073 0.000 3.805) 8.925 43.055 ( -3.011 0.000 -6.112) 6.813 43.055 ( -3.011 0.000 6.112) 6.813 ======================= Grid point 146 (52/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -0.000 0.000 0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 1.856 ( -0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 2.427 ( -0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.484 ( -0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 4.643 ( -0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.847 ( -0.000 0.000 0.000) 0.000 4.847 ( -0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 -0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.255 ( -0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.942 ( -0.000 0.000 -0.000) 0.000 5.942 ( -0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 -0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.999 ( -0.000 0.000 0.000) 0.000 6.999 ( -0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.228 ( -0.000 0.000 0.000) 0.000 7.228 ( 0.000 0.000 0.000) 0.000 7.715 ( -0.000 0.000 -0.000) 0.000 7.715 ( -0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 -0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 7.983 ( -0.000 0.000 -0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.826 ( 0.000 0.000 -0.000) 0.000 8.826 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.616 ( -0.002 0.000 -0.001) 0.002 9.616 ( -0.000 0.000 0.000) 0.001 9.617 ( 0.000 0.000 -0.000) 0.000 9.617 ( 0.002 0.000 0.001) 0.003 10.050 ( 0.000 0.000 0.000) 0.000 10.050 ( -0.000 0.000 0.000) 0.000 10.141 ( -0.000 0.000 -0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 10.883 ( -0.000 0.000 -0.000) 0.000 10.883 ( -0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 -0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.997 ( -0.000 0.000 0.000) 0.000 11.997 ( 0.000 0.000 0.000) 0.000 12.289 ( 0.000 0.000 0.000) 0.000 12.289 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.661 ( 0.000 0.000 0.000) 0.000 12.661 ( 0.000 0.000 0.000) 0.000 13.021 ( -0.000 0.000 0.000) 0.000 13.021 ( 0.000 0.000 0.000) 0.000 13.794 ( -0.000 0.000 0.000) 0.000 13.794 ( 0.000 0.000 0.000) 0.000 14.552 ( -0.000 0.000 0.000) 0.000 14.552 ( 0.000 0.000 0.000) 0.000 15.765 ( -0.000 0.000 -0.000) 0.000 15.765 ( 0.000 0.000 0.000) 0.000 15.784 ( -0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 15.835 ( -0.000 0.000 -0.000) 0.000 15.835 ( 0.000 0.000 -0.000) 0.000 15.849 ( 0.000 0.000 0.000) 0.000 15.849 ( 0.000 0.000 0.000) 0.000 16.836 ( -0.000 0.000 0.000) 0.000 16.836 ( 0.000 0.000 0.000) 0.000 16.974 ( -0.000 0.000 0.000) 0.000 16.974 ( 0.000 0.000 0.000) 0.000 17.294 ( -0.000 0.000 0.000) 0.000 17.294 ( 0.000 0.000 0.000) 0.000 17.332 ( 0.000 0.000 0.000) 0.000 17.332 ( 0.000 0.000 0.000) 0.000 17.555 ( -0.000 0.000 0.000) 0.000 17.555 ( 0.000 0.000 0.000) 0.000 17.608 ( 0.000 0.000 0.000) 0.000 17.608 ( -0.000 0.000 0.000) 0.000 17.729 ( 0.000 0.000 -0.000) 0.000 17.729 ( 0.000 0.000 0.000) 0.000 18.280 ( 0.000 0.000 0.000) 0.000 18.280 ( 0.000 0.000 0.000) 0.000 19.147 ( 0.000 0.000 0.000) 0.000 19.147 ( 0.000 0.000 0.000) 0.000 20.177 ( 0.000 0.000 0.000) 0.000 20.177 ( 0.000 0.000 0.000) 0.000 20.274 ( 0.000 0.000 0.000) 0.000 20.274 ( 0.000 0.000 0.000) 0.000 20.461 ( -0.000 0.000 0.000) 0.000 20.461 ( 0.000 0.000 0.000) 0.000 20.649 ( 0.000 0.000 0.000) 0.000 20.649 ( 0.000 0.000 0.000) 0.000 20.878 ( 0.000 0.000 0.000) 0.000 20.878 ( 0.000 0.000 0.000) 0.000 20.966 ( 0.000 0.000 0.000) 0.000 20.966 ( 0.000 0.000 0.000) 0.000 21.126 ( 0.000 0.000 0.000) 0.000 21.126 ( 0.000 0.000 0.000) 0.000 21.312 ( -0.000 0.000 -0.000) 0.000 21.312 ( 0.000 0.000 0.000) 0.000 21.406 ( 0.000 0.000 -0.000) 0.000 21.406 ( -0.000 0.000 0.000) 0.000 22.060 ( 0.000 0.000 -0.000) 0.000 22.060 ( 0.000 0.000 0.000) 0.000 22.162 ( 0.000 0.000 -0.000) 0.000 22.162 ( 0.000 0.000 0.000) 0.000 22.417 ( -0.000 0.000 0.000) 0.000 22.417 ( 0.000 0.000 0.000) 0.000 22.858 ( 0.000 0.000 0.000) 0.000 22.858 ( 0.000 0.000 0.000) 0.000 22.940 ( 0.000 0.000 0.000) 0.000 22.940 ( 0.000 0.000 0.000) 0.000 23.085 ( -0.000 0.000 -0.000) 0.000 23.085 ( 0.000 0.000 0.000) 0.000 23.388 ( 0.000 0.000 -0.000) 0.000 23.388 ( -0.000 0.000 0.000) 0.000 23.456 ( 0.000 0.000 0.000) 0.000 23.456 ( 0.000 0.000 0.000) 0.000 23.640 ( 0.000 0.000 -0.000) 0.000 23.640 ( 0.000 0.000 0.000) 0.000 23.766 ( 0.000 0.000 0.000) 0.000 23.766 ( 0.000 0.000 0.000) 0.000 24.065 ( 0.000 0.000 0.000) 0.000 24.065 ( 0.000 0.000 0.000) 0.000 24.328 ( 0.000 0.000 0.000) 0.000 24.328 ( 0.000 0.000 0.000) 0.000 24.401 ( -0.000 0.000 0.000) 0.000 24.401 ( 0.000 0.000 0.000) 0.000 24.552 ( -0.000 0.000 0.000) 0.000 24.552 ( 0.000 0.000 0.000) 0.000 24.825 ( -0.000 0.000 0.000) 0.000 24.825 ( -0.000 0.000 0.000) 0.000 24.836 ( 0.000 0.000 0.000) 0.000 24.836 ( 0.000 0.000 -0.000) 0.000 25.908 ( 0.000 0.000 0.000) 0.000 25.908 ( 0.000 0.000 0.000) 0.000 26.488 ( 0.000 0.000 0.000) 0.000 26.488 ( 0.000 0.000 0.000) 0.000 27.255 ( 0.000 0.000 0.000) 0.000 27.255 ( 0.000 0.000 0.000) 0.000 27.360 ( 0.000 0.000 0.000) 0.000 27.360 ( 0.000 0.000 0.000) 0.000 30.354 ( 0.000 0.000 0.000) 0.000 30.354 ( 0.000 0.000 0.000) 0.000 30.913 ( 0.000 0.000 0.000) 0.000 30.913 ( 0.000 0.000 0.000) 0.000 30.934 ( 0.000 0.000 0.000) 0.000 30.934 ( 0.000 0.000 0.000) 0.000 31.196 ( 0.000 0.000 0.000) 0.000 31.196 ( 0.000 0.000 0.000) 0.000 31.686 ( -0.000 0.000 0.000) 0.000 31.686 ( -0.000 0.000 0.000) 0.000 31.755 ( 0.000 0.000 0.000) 0.000 31.755 ( 0.000 0.000 0.000) 0.000 36.123 ( 0.000 0.000 0.000) 0.000 36.123 ( 0.000 0.000 0.000) 0.000 36.293 ( 0.000 0.000 0.000) 0.000 36.293 ( 0.000 0.000 0.000) 0.000 37.438 ( -0.000 0.000 0.000) 0.000 37.438 ( 0.000 0.000 0.000) 0.000 37.848 ( 0.000 0.000 0.000) 0.000 37.848 ( 0.000 0.000 0.000) 0.000 40.000 ( -0.000 0.000 0.000) 0.000 40.000 ( 0.000 0.000 0.000) 0.000 40.022 ( 0.000 0.000 0.000) 0.000 40.022 ( 0.000 0.000 0.000) 0.000 40.093 ( -0.000 0.000 0.000) 0.000 40.093 ( 0.000 0.000 0.000) 0.000 40.518 ( 0.000 0.000 0.000) 0.000 40.518 ( 0.000 0.000 0.000) 0.000 41.938 ( 0.000 0.000 0.000) 0.000 41.938 ( 0.000 0.000 0.000) 0.000 42.399 ( 0.000 0.000 0.000) 0.000 42.399 ( 0.000 0.000 0.000) 0.000 42.891 ( -0.000 0.000 0.000) 0.000 42.891 ( 0.000 0.000 0.000) 0.000 43.022 ( 0.000 0.000 0.000) 0.000 43.022 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 154 (53/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.000 0.919 -0.252) 0.953 1.614 ( 0.000 0.919 0.252) 0.953 1.821 ( 0.000 0.734 -4.231) 4.294 1.821 ( 0.000 0.734 4.231) 4.294 1.839 ( 0.000 -0.227 -0.106) 0.251 1.839 ( 0.000 -0.227 0.106) 0.251 2.027 ( 0.000 2.021 -0.995) 2.253 2.027 ( 0.000 2.021 0.995) 2.253 2.304 ( 0.000 0.101 -0.537) 0.546 2.304 ( 0.000 0.101 0.537) 0.546 2.623 ( 0.000 -0.733 -0.412) 0.841 2.623 ( 0.000 -0.733 0.412) 0.841 2.865 ( 0.000 -21.230 -9.909) 23.429 2.865 ( 0.000 -21.230 9.909) 23.429 3.379 ( 0.000 -5.100 -7.087) 8.731 3.379 ( 0.000 -5.100 7.087) 8.731 4.089 ( 0.000 6.137 -10.983) 12.581 4.089 ( 0.000 6.137 10.983) 12.581 4.248 ( 0.000 -1.263 -1.520) 1.976 4.248 ( 0.000 -1.263 1.520) 1.976 4.381 ( 0.000 -8.146 -10.064) 12.947 4.381 ( 0.000 -8.146 10.064) 12.947 4.569 ( 0.000 0.299 -4.074) 4.085 4.569 ( 0.000 0.299 4.074) 4.085 5.153 ( 0.000 28.158 -3.148) 28.334 5.153 ( 0.000 28.159 3.148) 28.334 5.220 ( 0.000 9.215 -0.283) 9.220 5.220 ( 0.000 9.215 0.283) 9.220 5.686 ( 0.000 5.022 -3.185) 5.946 5.686 ( 0.000 5.022 3.185) 5.946 5.758 ( 0.000 -5.444 -10.428) 11.763 5.758 ( 0.000 -5.444 10.428) 11.763 5.943 ( 0.000 -10.427 -16.190) 19.257 5.943 ( 0.000 -10.427 16.190) 19.257 6.459 ( 0.000 -6.947 -3.810) 7.923 6.459 ( 0.000 -6.947 3.810) 7.923 6.615 ( 0.000 7.683 -7.589) 10.799 6.615 ( 0.000 7.683 7.589) 10.799 7.015 ( 0.000 -8.093 -8.909) 12.036 7.015 ( 0.000 -8.093 8.909) 12.037 7.026 ( 0.000 16.724 -0.330) 16.727 7.026 ( 0.000 16.724 0.330) 16.727 7.541 ( 0.000 7.836 -2.389) 8.192 7.541 ( 0.000 7.836 2.389) 8.192 7.750 ( 0.000 -7.548 -16.714) 18.339 7.750 ( 0.000 -7.548 16.714) 18.339 8.379 ( 0.000 -1.687 -23.706) 23.766 8.379 ( 0.000 -1.687 23.706) 23.766 8.589 ( 0.000 -8.260 -4.399) 9.358 8.589 ( 0.000 -8.260 4.399) 9.358 8.685 ( 0.000 -18.760 -19.858) 27.318 8.685 ( 0.000 -18.760 19.858) 27.318 8.901 ( 0.000 -3.790 -10.132) 10.818 8.901 ( 0.000 -3.790 10.132) 10.818 9.387 ( 0.000 12.858 -3.349) 13.287 9.387 ( 0.000 12.858 3.349) 13.287 9.534 ( 0.000 10.928 -8.079) 13.590 9.534 ( 0.000 10.928 8.079) 13.590 9.772 ( 0.000 -3.928 -3.841) 5.494 9.772 ( 0.000 -3.928 3.841) 5.494 9.948 ( 0.000 0.759 -11.190) 11.215 9.948 ( 0.000 0.759 11.190) 11.215 10.322 ( 0.000 0.162 -1.646) 1.654 10.322 ( 0.000 0.162 1.646) 1.654 10.596 ( 0.000 3.477 -7.250) 8.040 10.596 ( 0.000 3.477 7.250) 8.040 11.080 ( 0.000 -6.289 -2.079) 6.624 11.080 ( 0.000 -6.289 2.079) 6.624 11.556 ( 0.000 -11.972 -3.294) 12.417 11.556 ( 0.000 -11.972 3.294) 12.417 11.948 ( 0.000 6.621 -1.490) 6.787 11.948 ( 0.000 6.621 1.490) 6.787 12.330 ( 0.000 4.793 -9.731) 10.847 12.330 ( 0.000 4.793 9.731) 10.847 12.761 ( 0.000 -0.287 -7.885) 7.890 12.761 ( 0.000 -0.287 7.885) 7.890 12.907 ( 0.000 -6.019 -3.930) 7.188 12.907 ( 0.000 -6.019 3.930) 7.188 13.442 ( 0.000 4.838 -10.625) 11.675 13.442 ( 0.000 4.838 10.626) 11.675 13.552 ( 0.000 5.456 -3.988) 6.758 13.552 ( 0.000 5.456 3.988) 6.758 14.518 ( 0.000 -10.099 -0.558) 10.114 14.518 ( 0.000 -10.099 0.558) 10.114 14.972 ( 0.000 14.423 -7.682) 16.341 14.972 ( 0.000 14.423 7.682) 16.341 15.165 ( 0.000 2.532 -4.360) 5.042 15.165 ( 0.000 2.532 4.360) 5.042 15.901 ( 0.000 -13.367 -3.317) 13.772 15.901 ( 0.000 -13.367 3.317) 13.772 16.475 ( 0.000 6.252 -9.942) 11.744 16.475 ( 0.000 6.252 9.942) 11.744 16.706 ( 0.000 -6.194 -2.855) 6.820 16.706 ( 0.000 -6.194 2.855) 6.820 16.985 ( 0.000 1.010 -4.070) 4.193 16.985 ( 0.000 1.010 4.070) 4.193 17.050 ( 0.000 0.080 -5.752) 5.753 17.050 ( 0.000 0.080 5.752) 5.753 17.360 ( 0.000 3.217 -1.770) 3.671 17.360 ( 0.000 3.217 1.770) 3.671 17.795 ( 0.000 -9.534 -4.543) 10.561 17.795 ( 0.000 -9.534 4.543) 10.561 18.218 ( 0.000 4.961 -5.943) 7.742 18.218 ( 0.000 4.961 5.943) 7.742 18.472 ( 0.000 -6.966 -0.196) 6.968 18.472 ( 0.000 -6.966 0.196) 6.968 18.723 ( 0.000 13.576 -5.335) 14.586 18.723 ( 0.000 13.576 5.335) 14.586 18.851 ( 0.000 3.212 -1.882) 3.723 18.851 ( 0.000 3.212 1.882) 3.723 20.054 ( 0.000 -9.194 -6.450) 11.231 20.054 ( 0.000 -9.194 6.450) 11.231 20.289 ( 0.000 3.291 -3.323) 4.677 20.289 ( 0.000 3.291 3.323) 4.677 20.372 ( 0.000 2.004 -1.079) 2.276 20.372 ( 0.000 2.004 1.079) 2.276 20.431 ( 0.000 -0.323 -2.507) 2.527 20.431 ( 0.000 -0.323 2.507) 2.527 20.596 ( 0.000 -7.471 -1.123) 7.555 20.596 ( 0.000 -7.471 1.123) 7.555 20.859 ( 0.000 2.138 -0.466) 2.189 20.859 ( 0.000 2.138 0.466) 2.189 21.033 ( 0.000 -0.555 -2.579) 2.638 21.033 ( 0.000 -0.555 2.579) 2.638 21.110 ( 0.000 9.513 -2.058) 9.733 21.110 ( 0.000 9.513 2.058) 9.733 21.580 ( 0.000 -0.694 -1.219) 1.403 21.580 ( 0.000 -0.694 1.219) 1.403 21.616 ( 0.000 -5.480 -3.546) 6.527 21.616 ( 0.000 -5.480 3.546) 6.527 22.119 ( 0.000 -0.374 -7.219) 7.228 22.119 ( 0.000 -0.374 7.219) 7.228 22.404 ( 0.000 -4.750 -4.398) 6.473 22.404 ( 0.000 -4.750 4.398) 6.473 22.627 ( 0.000 -0.265 -1.759) 1.779 22.627 ( 0.000 -0.265 1.759) 1.779 22.902 ( 0.000 8.174 -2.038) 8.424 22.902 ( 0.000 8.174 2.038) 8.424 23.163 ( 0.000 -3.572 -1.462) 3.860 23.163 ( 0.000 -3.572 1.462) 3.860 23.399 ( 0.000 4.254 -2.189) 4.784 23.399 ( 0.000 4.254 2.189) 4.784 23.466 ( 0.000 1.496 -6.100) 6.281 23.466 ( 0.000 1.496 6.100) 6.281 23.524 ( 0.000 -5.456 -5.308) 7.612 23.524 ( 0.000 -5.456 5.308) 7.612 23.678 ( 0.000 -4.147 -1.287) 4.342 23.678 ( 0.000 -4.147 1.287) 4.342 24.007 ( 0.000 8.416 -4.662) 9.621 24.007 ( 0.000 8.416 4.662) 9.621 24.062 ( 0.000 0.410 -3.094) 3.121 24.062 ( 0.000 0.410 3.094) 3.121 24.754 ( 0.000 -2.843 -2.239) 3.619 24.754 ( 0.000 -2.843 2.239) 3.619 25.026 ( 0.000 -1.812 -6.206) 6.465 25.026 ( 0.000 -1.812 6.206) 6.465 25.100 ( 0.000 -2.258 -7.426) 7.762 25.100 ( 0.000 -2.258 7.426) 7.762 25.462 ( 0.000 2.477 -17.758) 17.929 25.462 ( 0.000 2.477 17.758) 17.930 25.972 ( 0.000 2.720 -5.639) 6.260 25.972 ( 0.000 2.720 5.639) 6.260 26.185 ( 0.000 -1.208 -2.884) 3.127 26.185 ( 0.000 -1.208 2.884) 3.127 27.170 ( 0.000 -3.038 -1.257) 3.287 27.170 ( 0.000 -3.038 1.257) 3.287 27.362 ( 0.000 0.842 -0.884) 1.221 27.362 ( 0.000 0.842 0.884) 1.221 30.164 ( 0.000 -6.583 -2.590) 7.074 30.164 ( 0.000 -6.583 2.590) 7.074 30.983 ( 0.000 9.952 -0.545) 9.967 30.983 ( 0.000 9.952 0.545) 9.967 31.183 ( 0.000 0.742 -0.485) 0.887 31.183 ( 0.000 0.742 0.485) 0.887 31.250 ( 0.000 2.883 -1.642) 3.317 31.250 ( 0.000 2.883 1.642) 3.317 31.334 ( 0.000 -0.417 -0.118) 0.433 31.334 ( 0.000 -0.417 0.118) 0.433 31.649 ( 0.000 -6.603 -0.137) 6.604 31.649 ( 0.000 -6.603 0.137) 6.604 35.875 ( 0.000 1.387 -0.091) 1.390 35.875 ( 0.000 1.387 0.091) 1.390 36.037 ( 0.000 -1.054 -2.302) 2.531 36.037 ( 0.000 -1.054 2.302) 2.531 37.545 ( 0.000 -1.518 -8.437) 8.572 37.545 ( 0.000 -1.518 8.437) 8.572 38.002 ( 0.000 2.244 -10.936) 11.164 38.002 ( 0.000 2.244 10.936) 11.164 39.593 ( 0.000 -1.755 -1.461) 2.283 39.593 ( 0.000 -1.755 1.461) 2.283 39.784 ( 0.000 4.141 -2.351) 4.761 39.784 ( 0.000 4.140 2.351) 4.761 40.560 ( 0.000 -3.820 -4.686) 6.045 40.560 ( 0.000 -3.820 4.686) 6.045 40.748 ( 0.000 2.252 -3.004) 3.755 40.748 ( 0.000 2.252 3.004) 3.755 41.433 ( 0.000 3.747 -8.406) 9.203 41.433 ( 0.000 3.747 8.406) 9.203 42.559 ( 0.000 -2.615 -10.850) 11.160 42.559 ( 0.000 -2.615 10.850) 11.160 43.089 ( 0.000 -3.437 -4.321) 5.521 43.089 ( 0.000 -3.437 4.321) 5.521 43.261 ( 0.000 3.010 -1.108) 3.208 43.261 ( 0.000 3.010 1.108) 3.208 ======================= Grid point 156 (54/60) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 3.131 0.435 -0.071) 3.162 1.647 ( 3.131 0.435 0.071) 3.162 1.831 ( 0.699 0.258 -2.339) 2.454 1.831 ( 0.699 0.258 2.339) 2.454 1.850 ( 1.059 -0.585 -0.771) 1.434 1.850 ( 1.059 -0.585 0.771) 1.434 2.005 ( -2.186 2.026 -0.700) 3.062 2.005 ( -2.186 2.026 0.700) 3.062 2.317 ( 1.431 0.490 -1.103) 1.872 2.317 ( 1.431 0.490 1.103) 1.872 2.608 ( -1.752 -0.610 -1.224) 2.222 2.608 ( -1.752 -0.610 1.224) 2.222 2.915 ( 5.017 -16.539 -8.780) 19.386 2.915 ( 5.017 -16.539 8.780) 19.386 3.355 ( -1.233 -7.983 -11.143) 13.762 3.355 ( -1.233 -7.983 11.143) 13.762 4.037 ( -4.121 5.683 -12.053) 13.948 4.037 ( -4.121 5.683 12.053) 13.948 4.213 ( -5.342 1.485 -7.531) 9.352 4.213 ( -5.342 1.485 7.531) 9.352 4.265 ( -6.088 -5.524 -1.802) 8.416 4.265 ( -6.088 -5.524 1.802) 8.416 4.777 ( 11.302 -0.089 -4.355) 12.112 4.777 ( 11.302 -0.089 4.355) 12.112 5.025 ( -6.967 7.299 -6.423) 11.961 5.025 ( -6.967 7.299 6.423) 11.961 5.298 ( 6.949 22.385 -8.582) 24.960 5.298 ( 6.949 22.385 8.582) 24.960 5.589 ( -12.785 -18.022 -6.123) 22.929 5.589 ( -12.785 -18.022 6.123) 22.929 5.934 ( 14.460 3.924 -7.363) 16.695 5.934 ( 14.460 3.924 7.363) 16.695 5.974 ( 14.394 2.890 -13.426) 19.895 5.974 ( 14.394 2.890 13.426) 19.895 6.481 ( -9.266 13.598 -3.062) 16.737 6.481 ( -9.266 13.598 3.062) 16.737 6.675 ( 11.844 -2.631 -6.359) 13.698 6.675 ( 11.844 -2.631 6.359) 13.698 7.067 ( 4.675 -7.156 -6.078) 10.488 7.067 ( 4.675 -7.156 6.078) 10.488 7.153 ( 9.481 10.172 -9.944) 17.095 7.153 ( 9.481 10.172 9.944) 17.095 7.495 ( -2.733 7.841 -8.959) 12.216 7.495 ( -2.733 7.841 8.959) 12.216 7.775 ( 1.684 -6.540 -8.181) 10.608 7.775 ( 1.684 -6.540 8.181) 10.608 8.259 ( -8.034 -5.590 -15.520) 18.349 8.259 ( -8.034 -5.590 15.520) 18.349 8.564 ( -3.269 -13.728 -16.975) 22.074 8.564 ( -3.269 -13.728 16.975) 22.074 8.751 ( 0.608 -15.241 -10.389) 18.455 8.751 ( 0.608 -15.241 10.389) 18.455 8.955 ( 7.501 -0.951 -0.570) 7.583 8.955 ( 7.501 -0.951 0.570) 7.583 9.379 ( -2.005 10.298 -4.659) 11.479 9.379 ( -2.005 10.298 4.659) 11.479 9.437 ( -6.907 11.034 -4.006) 13.619 9.437 ( -6.907 11.034 4.006) 13.619 9.730 ( -4.575 -3.190 -6.517) 8.578 9.730 ( -4.575 -3.190 6.517) 8.578 9.927 ( -0.495 3.677 -12.061) 12.619 9.927 ( -0.495 3.677 12.061) 12.619 10.281 ( -1.903 -3.090 -5.879) 6.909 10.281 ( -1.903 -3.090 5.879) 6.909 10.651 ( 4.449 5.165 -7.871) 10.413 10.651 ( 4.449 5.165 7.871) 10.413 11.136 ( 3.622 -4.691 -2.495) 6.430 11.136 ( 3.622 -4.691 2.495) 6.430 11.555 ( -0.759 -7.271 -2.605) 7.761 11.555 ( -0.759 -7.271 2.605) 7.761 11.932 ( -3.046 3.762 -7.357) 8.806 11.932 ( -3.046 3.762 7.357) 8.806 12.291 ( -1.930 -4.091 -6.003) 7.516 12.291 ( -1.930 -4.091 6.003) 7.516 12.702 ( -6.973 -1.302 -5.173) 8.779 12.702 ( -6.973 -1.302 5.173) 8.779 12.948 ( 5.356 -7.393 -5.866) 10.851 12.948 ( 5.356 -7.393 5.866) 10.851 13.279 ( -13.266 12.752 -6.835) 19.630 13.279 ( -13.266 12.752 6.835) 19.630 13.529 ( -3.009 9.556 -2.994) 10.456 13.529 ( -3.009 9.556 2.994) 10.456 14.660 ( 11.998 -12.703 -2.744) 17.688 14.660 ( 11.998 -12.703 2.744) 17.688 15.091 ( 6.453 9.151 -1.969) 11.369 15.091 ( 6.453 9.151 1.969) 11.369 15.213 ( 9.188 5.963 -4.855) 11.981 15.213 ( 9.188 5.963 4.855) 11.981 15.860 ( -2.903 -14.924 -6.888) 16.691 15.860 ( -2.903 -14.924 6.888) 16.691 16.428 ( -4.201 7.935 -11.751) 14.789 16.428 ( -4.201 7.935 11.751) 14.789 16.712 ( 1.268 -5.782 -1.462) 6.098 16.712 ( 1.268 -5.782 1.462) 6.098 16.961 ( -4.053 3.646 -6.136) 8.208 16.961 ( -4.053 3.646 6.136) 8.208 17.106 ( 6.622 -0.127 -3.970) 7.722 17.106 ( 6.622 -0.127 3.970) 7.722 17.367 ( 0.417 3.357 -1.763) 3.815 17.367 ( 0.417 3.357 1.763) 3.815 17.776 ( -2.870 -5.965 -3.794) 7.630 17.776 ( -2.870 -5.965 3.794) 7.630 18.003 ( -17.385 -1.483 -4.279) 17.965 18.003 ( -17.385 -1.483 4.279) 17.965 18.308 ( -9.991 -6.946 -1.161) 12.223 18.308 ( -9.991 -6.946 1.161) 12.223 18.606 ( -19.294 4.391 -4.816) 20.365 18.606 ( -19.294 4.391 4.816) 20.365 19.000 ( 15.328 14.928 -2.004) 21.490 19.000 ( 15.328 14.928 2.004) 21.490 20.046 ( -2.910 -8.412 -2.507) 9.247 20.046 ( -2.910 -8.412 2.507) 9.247 20.260 ( 1.416 2.138 -4.344) 5.045 20.260 ( 1.416 2.138 4.344) 5.045 20.395 ( 1.181 -1.136 -2.171) 2.720 20.395 ( 1.181 -1.136 2.171) 2.720 20.504 ( 6.721 -1.798 -1.811) 7.189 20.504 ( 6.721 -1.798 1.811) 7.189 20.674 ( 6.341 -4.448 -0.341) 7.753 20.674 ( 6.341 -4.448 0.341) 7.753 20.898 ( 2.914 2.271 -1.248) 3.900 20.898 ( 2.914 2.271 1.248) 3.900 21.041 ( 1.438 -1.411 -1.852) 2.737 21.041 ( 1.438 -1.411 1.852) 2.737 21.195 ( 6.724 9.827 -2.221) 12.112 21.195 ( 6.724 9.827 2.221) 12.112 21.532 ( -6.526 -5.503 -2.264) 8.832 21.532 ( -6.526 -5.503 2.264) 8.832 21.718 ( 12.394 -1.341 -0.976) 12.504 21.718 ( 12.394 -1.341 0.976) 12.504 22.117 ( 0.141 1.981 -8.167) 8.405 22.117 ( 0.141 1.981 8.167) 8.405 22.427 ( 0.783 -6.278 -3.276) 7.124 22.427 ( 0.783 -6.278 3.276) 7.124 22.654 ( 3.761 0.852 -1.530) 4.149 22.654 ( 3.761 0.852 1.530) 4.149 22.926 ( 0.991 6.755 -1.881) 7.082 22.926 ( 0.991 6.755 1.881) 7.082 23.165 ( -0.011 -3.840 -2.391) 4.523 23.165 ( -0.011 -3.840 2.391) 4.523 23.360 ( -1.494 5.172 -6.958) 8.797 23.360 ( -1.494 5.172 6.958) 8.797 23.480 ( 0.573 0.418 -0.813) 1.079 23.480 ( 0.573 0.418 0.813) 1.079 23.601 ( 5.393 -3.471 -2.417) 6.854 23.601 ( 5.393 -3.471 2.417) 6.854 23.688 ( 2.717 -3.005 -1.796) 4.431 23.688 ( 2.717 -3.005 1.796) 4.431 24.003 ( -1.060 3.458 -5.891) 6.913 24.003 ( -1.060 3.458 5.891) 6.913 24.108 ( 4.644 3.427 -4.283) 7.187 24.108 ( 4.644 3.427 4.283) 7.187 24.648 ( -8.960 -4.330 -0.890) 9.991 24.648 ( -8.960 -4.330 0.890) 9.991 24.870 ( -15.438 0.418 -9.160) 17.956 24.870 ( -15.438 0.418 9.160) 17.956 25.020 ( -7.253 -2.026 -8.699) 11.505 25.020 ( -7.253 -2.026 8.699) 11.505 25.388 ( -7.199 1.099 -10.600) 12.861 25.388 ( -7.199 1.099 10.600) 12.861 25.976 ( 0.260 4.396 -5.989) 7.434 25.976 ( 0.260 4.396 5.989) 7.434 26.236 ( 4.599 -2.620 -1.771) 5.581 26.236 ( 4.599 -2.620 1.771) 5.581 27.195 ( 2.319 -2.593 -1.176) 3.672 27.195 ( 2.319 -2.593 1.176) 3.672 27.365 ( 0.229 0.943 -0.836) 1.281 27.365 ( 0.229 0.943 0.836) 1.281 30.205 ( 3.924 -5.571 -2.872) 7.395 30.205 ( 3.924 -5.571 2.872) 7.395 30.885 ( -8.022 0.463 -0.951) 8.091 30.885 ( -8.022 0.463 0.951) 8.091 31.184 ( 0.914 9.302 -2.088) 9.577 31.184 ( 0.914 9.302 2.088) 9.577 31.259 ( 0.710 5.164 -2.648) 5.847 31.259 ( 0.710 5.164 2.648) 5.847 31.438 ( 7.425 -2.534 -2.282) 8.171 31.438 ( 7.425 -2.534 2.282) 8.171 31.664 ( 1.437 -7.135 -1.090) 7.360 31.664 ( 1.437 -7.135 1.090) 7.360 35.937 ( 5.832 1.393 -2.211) 6.391 35.937 ( 5.832 1.393 2.211) 6.391 36.095 ( 5.384 -1.242 -3.021) 6.298 36.095 ( 5.384 -1.242 3.021) 6.298 37.529 ( -1.446 -0.666 -8.297) 8.449 37.529 ( -1.446 -0.666 8.297) 8.449 37.956 ( -4.476 0.810 -10.488) 11.432 37.956 ( -4.476 0.810 10.488) 11.432 39.683 ( 8.691 -1.335 -1.460) 8.914 39.683 ( 8.691 -1.335 1.460) 8.914 39.815 ( 3.232 3.927 -2.184) 5.536 39.815 ( 3.232 3.927 2.184) 5.536 40.522 ( -5.185 -2.122 -0.683) 5.644 40.522 ( -5.185 -2.122 0.683) 5.644 40.626 ( -8.640 1.007 -4.343) 9.723 40.626 ( -8.640 1.007 4.343) 9.723 41.585 ( 12.905 3.468 -7.508) 15.327 41.585 ( 12.905 3.468 7.508) 15.327 42.512 ( -4.445 -2.677 -10.200) 11.444 42.512 ( -4.445 -2.677 10.200) 11.444 43.052 ( -3.518 -3.275 -3.262) 5.809 43.052 ( -3.518 -3.275 3.262) 5.809 43.201 ( -5.706 2.833 -1.553) 6.557 43.201 ( -5.706 2.833 1.553) 6.557 ======================= Grid point 158 (55/60) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 4.461 -0.333 -0.111) 4.475 1.725 ( 4.461 -0.333 0.111) 4.475 1.840 ( -0.034 -0.729 -0.931) 1.183 1.840 ( -0.034 -0.729 0.931) 1.183 1.870 ( 0.832 -1.066 -0.383) 1.405 1.870 ( 0.832 -1.066 0.383) 1.405 1.949 ( -3.158 1.759 -0.433) 3.641 1.949 ( -3.158 1.759 0.433) 3.641 2.362 ( 3.169 0.385 -1.767) 3.649 2.362 ( 3.169 0.385 1.767) 3.649 2.547 ( -4.408 -0.822 -0.694) 4.537 2.547 ( -4.408 -0.822 0.694) 4.537 3.063 ( 10.043 -6.669 -5.697) 13.334 3.063 ( 10.043 -6.669 5.697) 13.334 3.362 ( 1.599 -9.026 -13.628) 16.424 3.362 ( 1.599 -9.026 13.628) 16.424 3.868 ( -14.387 8.836 -10.800) 20.043 3.868 ( -14.387 8.836 10.800) 20.043 4.052 ( -7.423 4.984 -10.308) 13.645 4.052 ( -7.423 4.984 10.308) 13.645 4.263 ( 6.436 -12.583 -8.516) 16.500 4.263 ( 6.436 -12.583 8.516) 16.500 4.757 ( -11.516 -10.084 -2.086) 15.449 4.757 ( -11.516 -10.084 2.086) 15.449 5.010 ( 3.445 5.705 -3.760) 7.652 5.010 ( 3.445 5.705 3.760) 7.652 5.315 ( -5.300 -5.753 -1.941) 8.059 5.315 ( -5.300 -5.753 1.941) 8.059 5.644 ( 18.532 11.564 -11.553) 24.711 5.644 ( 18.532 11.564 11.553) 24.711 6.152 ( 0.968 11.844 -7.256) 13.924 6.152 ( 0.968 11.844 7.256) 13.924 6.238 ( 6.731 10.505 -7.975) 14.807 6.238 ( 6.731 10.505 7.975) 14.807 6.472 ( 10.109 -0.885 -9.357) 13.803 6.472 ( 10.109 -0.885 9.357) 13.803 6.771 ( 3.809 11.199 -2.981) 12.199 6.771 ( 3.809 11.199 2.981) 12.199 7.143 ( 1.793 -4.532 -3.502) 6.002 7.143 ( 1.793 -4.532 3.502) 6.002 7.308 ( 2.674 3.575 -7.424) 8.663 7.308 ( 2.674 3.575 7.424) 8.663 7.529 ( 8.405 5.666 -11.206) 15.110 7.529 ( 8.405 5.666 11.206) 15.110 7.808 ( 1.896 -6.982 -4.193) 8.362 7.808 ( 1.896 -6.982 4.193) 8.362 8.110 ( -7.210 -4.621 -6.402) 10.692 8.110 ( -7.210 -4.621 6.402) 10.692 8.477 ( -5.202 -16.965 -18.021) 25.291 8.477 ( -5.202 -16.965 18.021) 25.291 8.667 ( -8.069 -11.168 -10.919) 17.580 8.667 ( -8.069 -11.168 10.919) 17.580 9.082 ( 2.948 2.270 -2.830) 4.675 9.082 ( 2.948 2.270 2.830) 4.675 9.295 ( -2.306 5.205 -7.268) 9.233 9.295 ( -2.306 5.205 7.268) 9.233 9.423 ( 3.223 6.684 -3.095) 8.040 9.423 ( 3.223 6.684 3.095) 8.040 9.616 ( -5.276 -6.733 -9.111) 12.497 9.616 ( -5.276 -6.733 9.111) 12.497 9.990 ( 6.664 6.796 -11.386) 14.840 9.990 ( 6.664 6.796 11.386) 14.840 10.267 ( -0.371 -1.944 -2.167) 2.935 10.267 ( -0.371 -1.944 2.167) 2.935 10.746 ( 5.459 4.510 -7.874) 10.589 10.746 ( 5.459 4.510 7.874) 10.589 11.131 ( -5.681 -3.711 -2.117) 7.108 11.131 ( -5.681 -3.711 2.117) 7.108 11.522 ( -1.841 -1.874 -2.459) 3.598 11.522 ( -1.841 -1.874 2.459) 3.598 11.892 ( 2.210 -0.911 -5.859) 6.328 11.892 ( 2.210 -0.911 5.859) 6.328 12.249 ( -3.749 -10.396 -5.962) 12.557 12.249 ( -3.749 -10.396 5.962) 12.557 12.468 ( -15.501 -1.353 -1.920) 15.678 12.468 ( -15.501 -1.353 1.920) 15.678 13.004 ( -8.916 10.081 -2.865) 13.760 13.004 ( -8.916 10.081 2.865) 13.760 13.058 ( -0.964 1.743 -1.637) 2.578 13.058 ( -0.964 1.743 1.637) 2.578 13.608 ( 14.754 11.061 -8.508) 20.308 13.608 ( 14.754 11.061 8.508) 20.308 14.681 ( -12.667 -8.477 -8.355) 17.382 14.681 ( -12.667 -8.477 8.355) 17.382 15.340 ( 22.226 -0.514 -5.599) 22.927 15.340 ( 22.226 -0.514 5.599) 22.927 15.505 ( 15.969 3.437 -5.883) 17.362 15.505 ( 15.969 3.437 5.883) 17.362 15.824 ( -1.279 -10.667 -3.702) 11.364 15.824 ( -1.279 -10.667 3.702) 11.364 16.262 ( -13.625 4.676 -8.994) 16.983 16.262 ( -13.625 4.676 8.994) 16.983 16.772 ( 0.919 3.984 -2.130) 4.610 16.772 ( 0.919 3.984 2.130) 4.610 16.944 ( 8.273 1.781 -3.658) 9.219 16.944 ( 8.273 1.781 3.658) 9.219 17.236 ( 4.903 -0.259 -0.536) 4.939 17.236 ( 4.903 -0.259 0.536) 4.939 17.357 ( -2.099 2.837 -2.379) 4.256 17.357 ( -2.099 2.837 2.379) 4.256 17.606 ( -11.048 -6.345 -1.584) 12.839 17.606 ( -11.048 -6.345 1.584) 12.839 17.769 ( -6.561 1.358 -1.187) 6.804 17.769 ( -6.561 1.358 1.187) 6.804 18.049 ( -18.812 0.454 -2.683) 19.008 18.049 ( -18.812 0.454 2.683) 19.008 18.230 ( -13.262 -7.182 -0.858) 15.106 18.230 ( -13.262 -7.182 0.858) 15.106 19.237 ( 8.261 17.246 -1.763) 19.203 19.237 ( 8.261 17.246 1.763) 19.203 20.010 ( -0.066 -12.952 -1.257) 13.013 20.010 ( -0.066 -12.952 1.257) 13.013 20.305 ( 2.199 3.145 -2.457) 4.557 20.305 ( 2.199 3.145 2.457) 4.557 20.416 ( 0.840 -3.057 -0.916) 3.300 20.416 ( 0.840 -3.057 0.916) 3.300 20.641 ( 5.873 0.768 -1.163) 6.037 20.641 ( 5.873 0.768 1.163) 6.037 20.786 ( 4.127 -2.526 -1.057) 4.952 20.786 ( 4.127 -2.526 1.057) 4.952 20.954 ( 2.770 2.027 -1.383) 3.700 20.954 ( 2.770 2.027 1.383) 3.700 21.080 ( 1.490 -2.102 -1.333) 2.901 21.080 ( 1.490 -2.102 1.333) 2.901 21.306 ( 3.543 2.459 -5.563) 7.039 21.306 ( 3.543 2.459 5.563) 7.039 21.419 ( -3.513 -1.204 -5.256) 6.436 21.419 ( -3.513 -1.204 5.256) 6.436 21.987 ( 12.261 0.461 -2.319) 12.487 21.987 ( 12.261 0.461 2.319) 12.487 22.139 ( 2.023 4.619 -9.349) 10.622 22.139 ( 2.023 4.619 9.349) 10.622 22.430 ( 0.679 -4.987 -0.892) 5.111 22.430 ( 0.679 -4.987 0.892) 5.111 22.745 ( 3.150 -1.242 -2.983) 4.512 22.745 ( 3.150 -1.242 2.983) 4.512 22.912 ( -1.480 1.906 -3.276) 4.069 22.912 ( -1.480 1.906 3.276) 4.069 23.160 ( -0.534 -1.278 -4.196) 4.419 23.160 ( -0.534 -1.278 4.196) 4.419 23.360 ( 1.574 5.228 -1.961) 5.801 23.360 ( 1.574 5.228 1.961) 5.801 23.488 ( -0.601 -0.919 -0.426) 1.178 23.488 ( -0.601 -0.919 0.426) 1.178 23.676 ( 4.322 4.897 -3.024) 7.198 23.676 ( 4.322 4.897 3.024) 7.198 23.812 ( 5.421 -1.046 -6.933) 8.863 23.812 ( 5.421 -1.046 6.933) 8.863 23.983 ( 0.811 -1.614 -3.475) 3.916 23.983 ( 0.811 -1.614 3.475) 3.916 24.192 ( 2.961 0.147 -2.872) 4.128 24.192 ( 2.961 0.147 2.872) 4.128 24.466 ( -11.086 -7.656 -1.059) 13.514 24.466 ( -11.086 -7.656 1.059) 13.514 24.557 ( -11.089 -1.260 -3.030) 11.564 24.557 ( -11.089 -1.260 3.030) 11.564 24.859 ( -6.088 2.352 -4.190) 7.756 24.859 ( -6.088 2.352 4.190) 7.756 25.187 ( -12.819 3.051 -3.115) 13.540 25.187 ( -12.819 3.051 3.115) 13.540 25.978 ( -0.016 6.700 -3.915) 7.760 25.978 ( -0.016 6.700 3.915) 7.760 26.337 ( 4.817 -7.107 -0.083) 8.586 26.337 ( 4.817 -7.107 0.083) 8.586 27.247 ( 2.610 -0.308 -0.813) 2.751 27.247 ( 2.610 -0.308 0.813) 2.751 27.365 ( -0.375 0.592 -0.549) 0.890 27.365 ( -0.375 0.592 0.549) 0.890 30.302 ( 5.359 -2.222 -2.946) 6.507 30.302 ( 5.359 -2.222 2.946) 6.507 30.727 ( -7.344 -7.566 -1.714) 10.682 30.727 ( -7.344 -7.566 1.714) 10.682 31.211 ( 1.504 12.792 -2.193) 13.065 31.211 ( 1.504 12.792 2.193) 13.065 31.267 ( -0.045 7.420 -2.701) 7.897 31.267 ( -0.045 7.420 2.701) 7.897 31.567 ( 5.289 -4.326 -2.733) 7.359 31.567 ( 5.289 -4.326 2.733) 7.359 31.693 ( 1.097 -6.834 -2.037) 7.215 31.693 ( 1.097 -6.834 2.037) 7.215 36.070 ( 6.618 1.676 -2.734) 7.354 36.070 ( 6.618 1.676 2.734) 7.354 36.210 ( 5.229 -1.934 -3.057) 6.358 36.210 ( 5.229 -1.934 3.057) 6.358 37.501 ( -1.018 2.391 -6.803) 7.282 37.501 ( -1.018 2.391 6.803) 7.282 37.847 ( -5.730 -3.173 -8.013) 10.349 37.847 ( -5.730 -3.173 8.013) 10.349 39.889 ( 10.130 0.858 -1.935) 10.349 39.889 ( 10.130 0.858 1.935) 10.349 39.914 ( 7.348 2.298 -1.440) 7.833 39.914 ( 7.348 2.298 1.440) 7.833 40.329 ( -11.736 3.605 -5.069) 13.282 40.329 ( -11.736 3.605 5.069) 13.282 40.511 ( -4.724 -4.708 -6.756) 9.493 40.511 ( -4.724 -4.708 6.756) 9.493 41.854 ( 12.909 4.232 -5.405) 14.621 41.854 ( 12.909 4.232 5.405) 14.621 42.405 ( -5.834 -3.833 -7.138) 9.984 42.405 ( -5.834 -3.833 7.138) 9.984 42.969 ( -4.376 -1.248 -2.505) 5.194 42.969 ( -4.376 -1.248 2.505) 5.194 43.071 ( -6.282 1.123 -3.337) 7.201 43.071 ( -6.282 1.123 3.337) 7.201 ======================= Grid point 160 (56/60) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -0.000 -0.569 0.000) 0.569 1.795 ( 0.000 -0.569 0.000) 0.569 1.821 ( 0.000 -1.941 0.000) 1.941 1.821 ( 0.000 -1.941 0.000) 1.941 1.884 ( -0.000 1.089 0.000) 1.089 1.884 ( 0.000 1.089 0.000) 1.089 1.906 ( 0.000 -0.024 0.000) 0.024 1.906 ( 0.000 -0.024 0.000) 0.024 2.426 ( -0.000 0.153 0.000) 0.153 2.426 ( 0.000 0.153 0.000) 0.153 2.467 ( 0.000 -1.065 0.000) 1.065 2.467 ( 0.000 -1.065 0.000) 1.065 3.229 ( 0.000 -3.982 0.000) 3.982 3.229 ( 0.000 -3.982 0.000) 3.982 3.372 ( 0.000 -7.282 0.000) 7.282 3.372 ( 0.000 -7.282 0.000) 7.282 3.656 ( -0.000 11.443 0.000) 11.443 3.656 ( 0.000 11.443 0.000) 11.443 3.972 ( 0.000 4.915 0.000) 4.915 3.972 ( 0.000 4.915 0.000) 4.915 4.436 ( -0.000 -11.948 0.000) 11.948 4.436 ( 0.000 -11.948 0.000) 11.948 4.529 ( 0.000 -20.707 0.000) 20.707 4.529 ( 0.000 -20.707 0.000) 20.707 5.057 ( -0.000 6.334 0.000) 6.334 5.057 ( 0.000 6.334 0.000) 6.334 5.260 ( 0.000 -5.420 0.000) 5.420 5.260 ( 0.000 -5.420 0.000) 5.420 5.956 ( -0.000 20.471 -0.000) 20.471 5.956 ( -0.000 20.471 0.000) 20.471 6.040 ( 0.000 7.496 -0.000) 7.496 6.040 ( 0.000 7.496 0.000) 7.496 6.400 ( -0.001 5.989 -0.001) 5.989 6.400 ( -0.000 5.989 0.000) 5.989 6.402 ( 0.000 10.855 -0.000) 10.855 6.402 ( 0.002 10.855 0.001) 10.855 7.036 ( -0.000 3.726 0.000) 3.726 7.036 ( -0.000 3.726 0.000) 3.726 7.069 ( 0.000 0.617 0.000) 0.617 7.069 ( 0.000 0.617 0.000) 0.617 7.279 ( -0.000 5.386 0.000) 5.386 7.279 ( 0.000 5.386 0.000) 5.386 7.751 ( -0.000 3.608 -0.000) 3.608 7.751 ( -0.000 3.608 0.000) 3.608 7.759 ( 0.000 -14.358 -0.000) 14.358 7.759 ( 0.000 -14.358 0.000) 14.358 8.026 ( 0.000 -3.554 -0.000) 3.554 8.026 ( 0.000 -3.554 0.000) 3.554 8.418 ( 0.000 -6.546 -0.000) 6.546 8.418 ( 0.000 -6.546 0.000) 6.546 8.540 ( 0.000 -14.658 0.000) 14.658 8.540 ( 0.000 -14.658 0.000) 14.658 9.103 ( 0.000 9.536 0.000) 9.536 9.103 ( 0.000 9.536 0.000) 9.536 9.278 ( 0.000 3.443 -0.000) 3.443 9.278 ( 0.000 3.443 0.000) 3.443 9.505 ( -0.000 -8.965 -0.000) 8.965 9.505 ( 0.000 -8.965 0.000) 8.965 9.531 ( 0.000 -7.003 -0.000) 7.003 9.531 ( 0.000 -7.003 0.000) 7.003 10.106 ( 0.000 5.437 0.000) 5.437 10.106 ( 0.000 5.437 0.000) 5.437 10.242 ( -0.000 5.492 0.000) 5.492 10.242 ( 0.000 5.492 0.000) 5.492 10.860 ( 0.000 0.265 0.000) 0.265 10.860 ( -0.000 0.265 0.000) 0.265 10.987 ( 0.000 -1.344 -0.000) 1.344 10.987 ( 0.000 -1.344 0.000) 1.344 11.506 ( 0.000 1.037 0.000) 1.037 11.506 ( 0.000 1.037 0.000) 1.037 12.013 ( -0.000 -21.976 -0.000) 21.976 12.013 ( -0.000 -21.976 0.000) 21.976 12.101 ( 0.000 8.481 0.000) 8.481 12.101 ( 0.000 8.481 0.000) 8.481 12.296 ( 0.000 -0.866 0.000) 0.866 12.296 ( 0.000 -0.866 0.000) 0.866 12.900 ( 0.000 14.061 0.000) 14.061 12.900 ( 0.000 14.061 0.000) 14.061 13.044 ( 0.000 1.971 0.000) 1.971 13.044 ( 0.000 1.971 0.000) 1.971 13.879 ( -0.000 9.383 0.000) 9.383 13.879 ( 0.000 9.383 0.000) 9.383 14.441 ( -0.000 -11.820 0.000) 11.820 14.441 ( 0.000 -11.820 0.000) 11.820 15.675 ( -0.000 -3.887 0.000) 3.887 15.675 ( 0.000 -3.887 0.000) 3.887 15.748 ( 0.000 0.519 -0.000) 0.519 15.748 ( 0.000 0.519 0.000) 0.519 15.784 ( -0.000 -1.203 -0.000) 1.203 15.784 ( 0.000 -1.203 0.000) 1.203 15.995 ( 0.000 0.019 0.000) 0.019 15.995 ( 0.000 0.019 0.000) 0.019 16.762 ( 0.000 3.651 0.000) 3.651 16.762 ( 0.000 3.651 0.000) 3.651 17.187 ( -0.000 11.889 -0.000) 11.889 17.187 ( 0.000 11.889 -0.000) 11.889 17.206 ( 0.000 -10.648 0.000) 10.648 17.206 ( -0.000 -10.648 0.000) 10.648 17.304 ( -0.000 0.527 0.000) 0.527 17.304 ( 0.000 0.527 0.000) 0.527 17.567 ( -0.000 2.565 0.000) 2.565 17.567 ( 0.000 2.565 0.000) 2.565 17.662 ( 0.000 3.124 0.000) 3.124 17.662 ( -0.000 3.124 0.000) 3.124 17.751 ( 0.000 2.324 -0.000) 2.324 17.751 ( 0.000 2.324 0.000) 2.324 18.122 ( 0.000 -14.278 0.000) 14.278 18.122 ( 0.000 -14.278 0.000) 14.278 19.318 ( 0.000 16.137 0.000) 16.137 19.318 ( 0.000 16.137 0.000) 16.137 20.016 ( 0.000 -14.276 0.000) 14.276 20.016 ( 0.000 -14.276 0.000) 14.276 20.330 ( 0.000 3.052 0.000) 3.052 20.330 ( 0.000 3.052 0.000) 3.052 20.424 ( 0.000 -2.739 0.000) 2.739 20.424 ( 0.000 -2.739 0.000) 2.739 20.701 ( 0.000 3.995 0.000) 3.995 20.701 ( 0.000 3.995 0.000) 3.995 20.828 ( 0.000 -3.714 0.000) 3.714 20.828 ( 0.000 -3.714 0.000) 3.714 20.989 ( 0.000 1.666 0.000) 1.666 20.989 ( 0.000 1.666 0.000) 1.666 21.080 ( 0.000 -3.429 0.000) 3.429 21.080 ( 0.000 -3.429 0.000) 3.429 21.348 ( -0.000 2.155 -0.000) 2.155 21.348 ( -0.000 2.155 0.000) 2.155 21.386 ( 0.000 -1.414 -0.000) 1.414 21.386 ( 0.000 -1.414 0.000) 1.414 22.125 ( -0.000 5.336 -0.000) 5.336 22.125 ( -0.000 5.336 0.000) 5.336 22.154 ( 0.000 1.137 -0.000) 1.137 22.154 ( 0.000 1.137 0.000) 1.137 22.458 ( 0.000 2.512 0.000) 2.512 22.458 ( 0.000 2.512 0.000) 2.512 22.746 ( 0.000 -13.599 0.000) 13.599 22.746 ( 0.000 -13.599 0.000) 13.599 22.911 ( 0.000 5.797 0.000) 5.797 22.911 ( 0.000 5.797 0.000) 5.797 23.149 ( 0.000 -0.439 0.000) 0.439 23.149 ( 0.000 -0.439 0.000) 0.439 23.419 ( -0.000 2.834 0.000) 2.834 23.419 ( -0.000 2.834 0.000) 2.834 23.443 ( 0.000 1.023 0.000) 1.023 23.443 ( 0.000 1.023 0.000) 1.023 23.746 ( 0.000 8.616 -0.000) 8.616 23.746 ( 0.000 8.616 0.000) 8.616 23.827 ( -0.000 5.110 0.000) 5.110 23.827 ( 0.000 5.110 0.000) 5.110 24.020 ( 0.000 -2.596 0.000) 2.596 24.020 ( 0.000 -2.596 0.000) 2.596 24.246 ( 0.000 -8.588 0.000) 8.588 24.246 ( 0.000 -8.588 0.000) 8.588 24.359 ( 0.000 -4.228 -0.000) 4.228 24.359 ( 0.000 -4.228 0.000) 4.228 24.381 ( 0.000 -10.606 -0.000) 10.606 24.381 ( 0.000 -10.606 0.000) 10.606 24.897 ( -0.000 6.226 0.000) 6.226 24.897 ( -0.000 6.226 0.000) 6.226 24.958 ( 0.000 6.435 0.000) 6.435 24.958 ( 0.000 6.435 0.000) 6.435 25.977 ( 0.000 7.326 0.000) 7.326 25.977 ( 0.000 7.326 0.000) 7.326 26.389 ( 0.000 -9.641 0.000) 9.641 26.389 ( 0.000 -9.641 0.000) 9.641 27.279 ( 0.000 2.312 0.000) 2.312 27.279 ( 0.000 2.312 0.000) 2.312 27.356 ( 0.000 -0.673 0.000) 0.673 27.356 ( 0.000 -0.673 0.000) 0.673 30.371 ( 0.000 2.121 0.000) 2.121 30.371 ( 0.000 2.121 0.000) 2.121 30.639 ( 0.000 -12.928 0.000) 12.928 30.639 ( 0.000 -12.928 0.000) 12.928 31.230 ( 0.000 14.918 0.000) 14.918 31.230 ( 0.000 14.918 0.000) 14.918 31.262 ( -0.000 6.522 -0.000) 6.522 31.262 ( -0.000 6.522 0.000) 6.522 31.626 ( -0.000 -5.809 0.000) 5.809 31.626 ( -0.000 -5.809 0.000) 5.809 31.700 ( 0.000 -5.710 0.000) 5.710 31.700 ( 0.000 -5.710 0.000) 5.710 36.145 ( -0.000 2.250 0.000) 2.250 36.145 ( 0.000 2.250 0.000) 2.250 36.265 ( 0.000 -2.800 0.000) 2.800 36.265 ( 0.000 -2.800 0.000) 2.800 37.493 ( -0.000 5.560 0.000) 5.560 37.493 ( 0.000 5.560 0.000) 5.560 37.780 ( 0.000 -6.634 0.000) 6.634 37.780 ( 0.000 -6.634 0.000) 6.634 40.023 ( 0.000 0.925 -0.000) 0.925 40.023 ( 0.000 0.925 0.000) 0.925 40.025 ( -0.000 1.977 -0.000) 1.977 40.025 ( -0.000 1.977 0.000) 1.977 40.163 ( 0.000 6.084 0.000) 6.084 40.163 ( 0.000 6.084 0.000) 6.084 40.446 ( 0.000 -6.841 0.000) 6.841 40.446 ( 0.000 -6.841 0.000) 6.841 42.009 ( 0.000 6.889 0.000) 6.889 42.009 ( 0.000 6.889 0.000) 6.889 42.328 ( 0.000 -6.922 0.000) 6.922 42.328 ( 0.000 -6.922 0.000) 6.922 42.915 ( -0.000 2.218 0.000) 2.218 42.915 ( 0.000 2.218 0.000) 2.218 43.004 ( 0.000 -1.793 0.000) 1.793 43.004 ( 0.000 -1.793 0.000) 1.793 ======================= Grid point 168 (57/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 -0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 -0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 -0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 -0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 -0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 -0.000 -0.000) 0.000 2.597 ( 0.000 0.000 -0.000) 0.000 2.631 ( 0.000 -0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 -0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 4.201 ( 0.000 -0.000 0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 -0.000 -0.000) 0.000 4.208 ( 0.000 0.000 -0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 -0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 -0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 -0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 -0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 -0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 -0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 -0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 -0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 -0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 -0.000 0.000) 0.000 8.216 ( 0.000 0.000 -0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 -0.000 0.000) 0.000 8.478 ( 0.000 0.000 -0.000) 0.000 8.575 ( 0.000 0.000 0.000) 0.000 8.575 ( 0.000 0.000 0.000) 0.000 8.869 ( 0.000 0.000 0.000) 0.000 8.869 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 -0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.633 ( 0.000 -0.000 0.000) 0.000 9.633 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 9.958 ( 0.000 -0.000 0.000) 0.000 9.958 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 -0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 11.188 ( 0.000 -0.000 0.000) 0.000 11.188 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 -0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 12.065 ( 0.000 -0.000 0.000) 0.000 12.065 ( 0.000 0.000 0.000) 0.000 12.342 ( 0.000 -0.000 0.000) 0.000 12.342 ( 0.000 0.000 0.000) 0.000 12.798 ( 0.000 -0.000 0.000) 0.000 12.798 ( 0.000 0.000 0.000) 0.000 12.814 ( 0.000 -0.000 0.000) 0.000 12.814 ( 0.000 0.000 0.000) 0.000 13.488 ( 0.000 0.000 0.000) 0.000 13.488 ( 0.000 0.000 0.000) 0.000 13.645 ( 0.000 -0.000 0.000) 0.000 13.645 ( 0.000 0.000 0.000) 0.000 14.383 ( 0.000 -0.000 0.000) 0.000 14.383 ( 0.000 0.000 0.000) 0.000 15.169 ( 0.000 -0.000 -0.000) 0.000 15.169 ( 0.000 0.000 0.000) 0.000 15.192 ( 0.000 -0.000 0.000) 0.000 15.192 ( 0.000 0.000 0.000) 0.000 15.738 ( 0.000 -0.000 0.000) 0.000 15.738 ( 0.000 0.000 0.000) 0.000 16.558 ( 0.000 -0.000 0.000) 0.000 16.558 ( 0.000 0.000 0.000) 0.000 16.586 ( 0.000 -0.000 -0.000) 0.000 16.586 ( 0.000 0.000 -0.000) 0.000 17.010 ( 0.000 -0.000 -0.000) 0.000 17.010 ( 0.000 0.000 -0.000) 0.000 17.056 ( 0.000 -0.000 0.000) 0.000 17.056 ( 0.000 0.000 0.000) 0.000 17.415 ( 0.000 -0.000 0.000) 0.000 17.415 ( 0.000 0.000 0.000) 0.000 17.676 ( 0.000 -0.000 0.000) 0.000 17.676 ( 0.000 0.000 0.000) 0.000 18.313 ( 0.000 -0.000 0.000) 0.000 18.313 ( 0.000 0.000 0.000) 0.000 18.355 ( 0.000 -0.000 0.000) 0.000 18.355 ( 0.000 0.000 0.000) 0.000 18.885 ( 0.000 0.000 0.000) 0.000 18.885 ( 0.000 -0.000 0.000) 0.000 18.886 ( 0.000 0.000 -0.000) 0.000 18.886 ( 0.000 -0.000 -0.000) 0.000 19.934 ( 0.000 -0.000 0.000) 0.000 19.934 ( 0.000 0.000 0.000) 0.000 20.329 ( 0.000 0.000 0.000) 0.000 20.329 ( 0.000 0.000 0.000) 0.000 20.404 ( 0.000 0.000 0.000) 0.000 20.404 ( 0.000 0.000 0.000) 0.000 20.427 ( 0.000 -0.000 0.000) 0.000 20.427 ( 0.000 0.000 0.000) 0.000 20.516 ( 0.000 -0.000 0.000) 0.000 20.516 ( 0.000 0.000 0.000) 0.000 20.885 ( 0.000 -0.000 0.000) 0.000 20.885 ( 0.000 0.000 0.000) 0.000 21.009 ( 0.000 -0.000 0.000) 0.000 21.009 ( 0.000 0.000 0.000) 0.000 21.237 ( 0.000 -0.000 0.000) 0.000 21.237 ( 0.000 0.000 0.000) 0.000 21.529 ( 0.000 -0.000 0.000) 0.000 21.529 ( 0.000 0.000 0.000) 0.000 21.573 ( 0.000 0.000 0.000) 0.000 21.573 ( 0.000 -0.000 0.000) 0.000 22.134 ( 0.000 0.000 0.000) 0.000 22.134 ( 0.000 0.000 0.000) 0.000 22.334 ( 0.000 -0.000 0.000) 0.000 22.334 ( 0.000 0.000 0.000) 0.000 22.628 ( 0.000 -0.000 0.000) 0.000 22.628 ( 0.000 0.000 0.000) 0.000 23.013 ( 0.000 -0.000 0.000) 0.000 23.013 ( 0.000 0.000 0.000) 0.000 23.098 ( 0.000 0.000 0.000) 0.000 23.098 ( 0.000 0.000 0.000) 0.000 23.442 ( 0.000 -0.000 0.000) 0.000 23.442 ( 0.000 0.000 0.000) 0.000 23.471 ( 0.000 -0.000 0.000) 0.000 23.471 ( 0.000 0.000 0.000) 0.000 23.543 ( 0.000 -0.000 -0.000) 0.000 23.543 ( 0.000 0.000 -0.000) 0.000 23.577 ( 0.000 -0.000 0.000) 0.000 23.577 ( 0.000 0.000 0.000) 0.000 24.069 ( 0.000 0.000 0.000) 0.000 24.069 ( 0.000 -0.000 0.000) 0.000 24.100 ( 0.000 -0.000 -0.000) 0.000 24.100 ( 0.000 0.000 -0.000) 0.000 24.713 ( 0.000 -0.000 0.000) 0.000 24.713 ( 0.000 0.000 0.000) 0.000 25.029 ( 0.000 -0.000 0.000) 0.000 25.029 ( 0.000 0.000 0.000) 0.000 25.054 ( 0.000 -0.000 0.000) 0.000 25.054 ( 0.000 0.000 0.000) 0.000 25.492 ( 0.000 -0.000 0.000) 0.000 25.492 ( 0.000 0.000 0.000) 0.000 26.003 ( 0.000 0.000 0.000) 0.000 26.003 ( 0.000 0.000 0.000) 0.000 26.170 ( 0.000 -0.000 0.000) 0.000 26.170 ( 0.000 0.000 0.000) 0.000 27.136 ( 0.000 -0.000 0.000) 0.000 27.136 ( 0.000 0.000 0.000) 0.000 27.370 ( 0.000 -0.000 0.000) 0.000 27.370 ( 0.000 0.000 0.000) 0.000 30.095 ( 0.000 -0.000 0.000) 0.000 30.095 ( 0.000 0.000 0.000) 0.000 31.082 ( 0.000 -0.000 0.000) 0.000 31.082 ( 0.000 0.000 0.000) 0.000 31.211 ( 0.000 -0.000 0.000) 0.000 31.211 ( 0.000 0.000 0.000) 0.000 31.265 ( 0.000 0.000 0.000) 0.000 31.265 ( 0.000 0.000 0.000) 0.000 31.375 ( 0.000 -0.000 0.000) 0.000 31.375 ( 0.000 0.000 0.000) 0.000 31.536 ( 0.000 -0.000 0.000) 0.000 31.536 ( 0.000 0.000 0.000) 0.000 35.893 ( 0.000 -0.000 0.000) 0.000 35.893 ( 0.000 0.000 0.000) 0.000 36.022 ( 0.000 -0.000 0.000) 0.000 36.022 ( 0.000 0.000 0.000) 0.000 37.528 ( 0.000 -0.000 0.000) 0.000 37.528 ( 0.000 0.000 0.000) 0.000 38.028 ( 0.000 -0.000 0.000) 0.000 38.028 ( 0.000 0.000 0.000) 0.000 39.573 ( 0.000 -0.000 0.000) 0.000 39.573 ( 0.000 0.000 0.000) 0.000 39.833 ( 0.000 -0.000 0.000) 0.000 39.833 ( 0.000 0.000 0.000) 0.000 40.521 ( 0.000 -0.000 0.000) 0.000 40.521 ( 0.000 0.000 0.000) 0.000 40.768 ( 0.000 0.000 0.000) 0.000 40.768 ( 0.000 0.000 0.000) 0.000 41.479 ( 0.000 -0.000 0.000) 0.000 41.479 ( 0.000 0.000 0.000) 0.000 42.526 ( 0.000 -0.000 0.000) 0.000 42.526 ( 0.000 0.000 0.000) 0.000 43.054 ( 0.000 -0.000 0.000) 0.000 43.054 ( 0.000 0.000 0.000) 0.000 43.291 ( 0.000 -0.000 0.000) 0.000 43.291 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 172 (58/60) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 2.626 -0.000 0.000) 2.626 1.653 ( 2.626 0.000 0.000) 2.626 1.835 ( 0.123 -0.000 0.000) 0.123 1.835 ( 0.123 0.000 0.000) 0.123 1.843 ( 0.585 -0.000 -0.000) 0.585 1.843 ( 0.585 0.000 0.000) 0.585 2.034 ( -2.576 -0.000 0.000) 2.576 2.034 ( -2.576 0.000 0.000) 2.576 2.323 ( 1.604 -0.000 0.000) 1.604 2.323 ( 1.604 0.000 0.000) 1.604 2.608 ( -2.417 -0.000 -0.000) 2.417 2.608 ( -2.417 0.000 0.000) 2.417 2.712 ( 11.427 0.000 0.000) 11.427 2.712 ( 11.427 0.000 0.000) 11.427 3.264 ( -3.640 -0.000 0.000) 3.640 3.264 ( -3.640 0.000 0.000) 3.640 4.136 ( -5.794 -0.000 0.001) 5.794 4.136 ( -5.794 0.000 0.001) 5.794 4.138 ( -3.580 -0.000 -0.001) 3.580 4.138 ( -3.580 0.000 -0.001) 3.580 4.286 ( -3.095 -0.000 0.000) 3.095 4.286 ( -3.095 0.000 0.000) 3.095 4.752 ( 9.526 -0.000 0.000) 9.526 4.752 ( 9.526 0.000 0.000) 9.526 5.169 ( -9.158 -0.000 0.000) 9.158 5.169 ( -9.158 0.000 0.000) 9.158 5.290 ( -16.267 -0.000 0.000) 16.267 5.290 ( -16.267 0.000 0.000) 16.267 5.637 ( 3.207 -0.000 0.000) 3.207 5.637 ( 3.207 0.000 0.000) 3.207 5.966 ( 16.450 -0.000 -0.000) 16.450 5.966 ( 16.450 0.000 -0.000) 16.450 5.991 ( 16.458 -0.000 0.000) 16.458 5.991 ( 16.458 0.000 0.000) 16.458 6.599 ( -6.207 -0.000 -0.000) 6.207 6.599 ( -6.207 0.000 0.000) 6.207 6.672 ( 17.917 -0.000 0.000) 17.917 6.672 ( 17.917 0.000 0.000) 17.917 6.970 ( 8.555 0.000 0.000) 8.555 6.970 ( 8.555 0.000 0.000) 8.555 7.345 ( -0.578 -0.000 0.000) 0.578 7.345 ( -0.578 0.000 0.000) 0.578 7.539 ( -3.541 -0.000 0.000) 3.541 7.539 ( -3.541 0.000 0.000) 3.541 7.755 ( 8.237 0.000 0.000) 8.237 7.755 ( 8.237 0.000 0.000) 8.237 8.069 ( -10.355 0.000 0.000) 10.355 8.069 ( -10.355 0.000 0.000) 10.355 8.466 ( -9.922 0.000 0.000) 9.922 8.466 ( -9.922 0.000 0.000) 9.922 8.560 ( 3.575 -0.000 0.000) 3.575 8.560 ( 3.575 0.000 0.000) 3.575 8.960 ( 8.193 0.000 0.000) 8.193 8.960 ( 8.193 0.000 0.000) 8.193 9.504 ( -10.415 -0.000 -0.000) 10.415 9.504 ( -10.415 0.000 -0.000) 10.415 9.532 ( -1.277 -0.000 0.000) 1.277 9.532 ( -1.277 0.000 0.000) 1.277 9.729 ( -4.683 0.000 0.000) 4.683 9.729 ( -4.683 0.000 0.000) 4.683 9.977 ( 3.098 -0.000 0.000) 3.098 9.977 ( 3.098 0.000 0.000) 3.098 10.202 ( -5.382 -0.000 0.000) 5.382 10.202 ( -5.382 0.000 0.000) 5.382 10.703 ( 8.276 -0.000 0.000) 8.276 10.703 ( 8.276 0.000 0.000) 8.276 11.187 ( -1.057 -0.000 0.000) 1.057 11.187 ( -1.057 0.000 0.000) 1.057 11.351 ( 6.068 -0.000 0.000) 6.068 11.351 ( 6.068 0.000 0.000) 6.068 12.068 ( 0.899 -0.000 0.000) 0.899 12.068 ( 0.899 0.000 0.000) 0.899 12.165 ( -13.911 -0.000 0.000) 13.911 12.165 ( -13.911 0.000 0.000) 13.911 12.701 ( -9.237 0.000 0.000) 9.237 12.701 ( -9.237 0.000 0.000) 9.237 12.877 ( 6.371 -0.000 0.000) 6.371 12.877 ( 6.371 0.000 0.000) 6.371 13.437 ( -9.011 -0.000 0.000) 9.011 13.437 ( -9.011 0.000 0.000) 9.011 13.634 ( 0.152 -0.000 0.000) 0.152 13.634 ( 0.152 0.000 0.000) 0.152 14.498 ( 11.704 -0.000 0.000) 11.704 14.498 ( 11.704 0.000 0.000) 11.704 15.208 ( 1.743 -0.000 0.000) 1.743 15.208 ( 1.743 0.000 0.000) 1.743 15.297 ( 9.957 -0.000 0.000) 9.957 15.297 ( 9.957 0.000 0.000) 9.957 15.679 ( -2.396 -0.000 0.000) 2.396 15.679 ( -2.396 0.000 0.000) 2.396 16.512 ( -7.691 -0.000 0.000) 7.691 16.512 ( -7.691 0.000 0.000) 7.691 16.618 ( 7.606 -0.000 0.000) 7.606 16.618 ( 7.606 0.000 0.000) 7.606 17.014 ( -3.809 -0.000 0.000) 3.809 17.014 ( -3.809 0.000 0.000) 3.809 17.110 ( 7.867 -0.000 0.000) 7.867 17.110 ( 7.867 0.000 0.000) 7.867 17.426 ( 0.801 -0.000 0.000) 0.801 17.426 ( 0.801 0.000 0.000) 0.801 17.675 ( -1.367 -0.000 0.000) 1.367 17.675 ( -1.367 0.000 0.000) 1.367 18.006 ( -22.677 -0.000 0.000) 22.677 18.006 ( -22.677 0.000 0.000) 22.677 18.231 ( -8.628 -0.000 0.000) 8.628 18.231 ( -8.628 0.000 0.000) 8.628 18.644 ( -20.643 -0.000 0.000) 20.643 18.644 ( -20.643 0.000 0.000) 20.643 19.199 ( 20.505 -0.000 0.000) 20.505 19.199 ( 20.505 0.000 0.000) 20.505 19.912 ( -6.589 -0.000 0.000) 6.589 19.912 ( -6.589 0.000 0.000) 6.589 20.292 ( 2.651 -0.000 0.000) 2.651 20.292 ( 2.651 0.000 0.000) 2.651 20.375 ( -2.181 -0.000 0.000) 2.181 20.375 ( -2.181 0.000 0.000) 2.181 20.499 ( 6.788 -0.000 0.000) 6.788 20.499 ( 6.788 0.000 0.000) 6.788 20.631 ( 8.099 -0.000 0.000) 8.099 20.631 ( 8.099 0.000 0.000) 8.099 20.920 ( 2.852 -0.000 0.000) 2.852 20.920 ( 2.852 0.000 0.000) 2.852 21.021 ( 1.332 -0.000 0.000) 1.332 21.021 ( 1.332 0.000 0.000) 1.332 21.331 ( 6.710 -0.000 0.000) 6.710 21.331 ( 6.710 0.000 0.000) 6.710 21.438 ( -7.599 -0.000 0.000) 7.599 21.438 ( -7.599 0.000 0.000) 7.599 21.698 ( 12.544 -0.000 0.000) 12.544 21.698 ( 12.544 0.000 0.000) 12.544 22.167 ( 3.553 -0.000 0.000) 3.553 22.167 ( 3.553 0.000 0.000) 3.553 22.333 ( -1.574 -0.000 0.000) 1.574 22.333 ( -1.574 0.000 0.000) 1.574 22.667 ( 4.619 0.000 0.000) 4.619 22.667 ( 4.619 0.000 0.000) 4.619 23.010 ( -2.258 -0.000 0.000) 2.258 23.010 ( -2.258 0.000 0.000) 2.258 23.112 ( 1.372 -0.000 0.000) 1.372 23.112 ( 1.372 0.000 0.000) 1.372 23.445 ( 2.791 -0.000 0.000) 2.791 23.445 ( 2.791 0.000 0.000) 2.791 23.458 ( -2.026 -0.000 0.000) 2.026 23.458 ( -2.026 0.000 0.000) 2.026 23.602 ( 4.521 -0.000 0.000) 4.521 23.602 ( 4.521 0.000 0.000) 4.521 23.613 ( 4.427 -0.000 0.000) 4.427 23.613 ( 4.427 0.000 0.000) 4.427 24.057 ( -1.109 -0.000 0.000) 1.109 24.057 ( -1.109 0.000 0.000) 1.109 24.135 ( 2.912 -0.000 0.000) 2.912 24.135 ( 2.912 0.000 0.000) 2.912 24.594 ( -10.538 -0.000 0.000) 10.538 24.594 ( -10.538 0.000 0.000) 10.538 24.898 ( -15.010 -0.000 0.000) 15.010 24.898 ( -15.010 0.000 0.000) 15.010 24.973 ( -5.536 -0.000 0.000) 5.536 24.973 ( -5.536 0.000 0.000) 5.536 25.403 ( -7.562 -0.000 0.000) 7.562 25.403 ( -7.562 0.000 0.000) 7.562 26.037 ( 3.190 -0.000 0.000) 3.190 26.037 ( 3.190 0.000 0.000) 3.190 26.195 ( 1.358 -0.000 0.000) 1.358 26.195 ( 1.358 0.000 0.000) 1.358 27.167 ( 3.064 -0.000 0.000) 3.064 27.167 ( 3.064 0.000 0.000) 3.064 27.374 ( 0.280 -0.000 0.000) 0.280 27.374 ( 0.280 0.000 0.000) 0.280 30.144 ( 4.901 -0.000 0.000) 4.901 30.144 ( 4.901 0.000 0.000) 4.901 30.886 ( -12.264 -0.000 0.000) 12.264 30.886 ( -12.264 0.000 0.000) 12.264 31.283 ( 1.772 -0.000 0.000) 1.772 31.283 ( 1.772 0.000 0.000) 1.772 31.373 ( 8.385 -0.000 0.000) 8.385 31.373 ( 8.385 0.000 0.000) 8.385 31.420 ( 4.092 -0.000 0.000) 4.092 31.420 ( 4.092 0.000 0.000) 4.092 31.524 ( -0.785 -0.000 0.000) 0.785 31.524 ( -0.785 0.000 0.000) 0.785 35.955 ( 5.916 0.000 0.000) 5.916 35.955 ( 5.916 0.000 0.000) 5.916 36.078 ( 5.100 -0.000 0.000) 5.100 36.078 ( 5.100 0.000 0.000) 5.100 37.521 ( -0.391 -0.000 0.000) 0.391 37.521 ( -0.391 0.000 0.000) 0.391 37.965 ( -6.138 -0.000 0.000) 6.138 37.965 ( -6.138 0.000 0.000) 6.138 39.668 ( 9.238 -0.000 0.000) 9.238 39.668 ( 9.238 0.000 0.000) 9.238 39.862 ( 2.933 -0.000 0.000) 2.933 39.862 ( 2.933 0.000 0.000) 2.933 40.499 ( -2.391 -0.000 0.000) 2.391 40.499 ( -2.391 0.000 0.000) 2.391 40.636 ( -11.145 -0.000 0.000) 11.145 40.636 ( -11.145 0.000 0.000) 11.145 41.628 ( 12.851 -0.000 0.000) 12.851 41.628 ( 12.851 0.000 0.000) 12.851 42.479 ( -4.631 -0.000 0.000) 4.631 42.479 ( -4.631 0.000 0.000) 4.631 43.019 ( -3.228 -0.000 0.000) 3.228 43.019 ( -3.228 0.000 0.000) 3.228 43.229 ( -5.978 0.000 0.000) 5.978 43.229 ( -5.978 0.000 0.000) 5.978 ======================= Grid point 176 (59/60) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 4.040 -0.000 0.000) 4.040 1.721 ( 4.040 0.000 0.000) 4.040 1.829 ( -0.848 0.000 0.000) 0.848 1.829 ( -0.848 0.000 0.000) 0.848 1.861 ( 1.286 -0.000 0.000) 1.286 1.861 ( 1.286 0.000 0.000) 1.286 1.969 ( -3.788 0.000 0.000) 3.788 1.969 ( -3.788 0.000 0.000) 3.788 2.366 ( 2.895 0.000 0.000) 2.895 2.366 ( 2.895 0.000 0.000) 2.895 2.536 ( -4.677 -0.000 0.000) 4.677 2.536 ( -4.677 0.000 0.000) 4.677 2.998 ( 15.963 -0.000 0.000) 15.963 2.998 ( 15.963 0.000 0.000) 15.963 3.244 ( 1.574 -0.000 0.000) 1.574 3.244 ( 1.574 0.000 0.000) 1.574 3.999 ( -7.782 -0.000 0.000) 7.782 3.999 ( -7.782 0.000 0.000) 7.782 4.053 ( -8.627 -0.000 -0.000) 8.627 4.053 ( -8.627 0.000 -0.000) 8.627 4.192 ( -0.303 0.000 0.000) 0.303 4.192 ( -0.303 0.000 0.000) 0.303 4.620 ( -17.705 -0.000 0.000) 17.705 4.620 ( -17.705 0.000 0.000) 17.705 5.098 ( 1.054 -0.000 0.000) 1.054 5.098 ( 1.054 0.000 0.000) 1.054 5.172 ( 0.311 -0.000 0.000) 0.311 5.172 ( 0.311 0.000 0.000) 0.311 5.840 ( 15.626 -0.000 0.000) 15.626 5.840 ( 15.626 0.000 0.000) 15.626 6.238 ( 6.989 -0.000 -0.000) 6.989 6.238 ( 6.989 0.000 -0.000) 6.989 6.368 ( 17.566 -0.000 0.000) 17.566 6.368 ( 17.566 0.000 0.000) 17.566 6.489 ( -2.375 -0.000 0.000) 2.375 6.489 ( -2.375 0.000 0.000) 2.375 6.923 ( 8.503 -0.000 0.000) 8.503 6.923 ( 8.503 0.000 0.000) 8.503 7.095 ( 3.210 -0.000 0.000) 3.210 7.095 ( 3.210 0.000 0.000) 3.210 7.401 ( 5.904 -0.000 0.000) 5.904 7.401 ( 5.904 0.000 0.000) 5.904 7.486 ( -2.002 -0.000 0.000) 2.002 7.486 ( -2.002 0.000 0.000) 2.002 7.880 ( -7.679 -0.000 -0.000) 7.679 7.880 ( -7.679 0.000 0.000) 7.679 7.925 ( 5.957 -0.000 0.000) 5.957 7.925 ( 5.957 0.000 0.000) 5.957 8.272 ( -5.770 0.000 0.000) 5.770 8.272 ( -5.770 0.000 0.000) 5.770 8.555 ( -4.906 -0.000 0.000) 4.906 8.555 ( -4.906 0.000 0.000) 4.906 9.098 ( 5.225 -0.000 0.000) 5.225 9.098 ( 5.225 0.000 0.000) 5.225 9.378 ( -0.411 0.000 0.000) 0.411 9.378 ( -0.411 0.000 0.000) 0.411 9.473 ( -5.635 -0.000 0.000) 5.635 9.473 ( -5.635 0.000 0.000) 5.635 9.554 ( -11.326 -0.000 0.000) 11.326 9.554 ( -11.326 0.000 0.000) 11.326 10.100 ( 8.416 -0.000 0.000) 8.416 10.100 ( 8.416 0.000 0.000) 8.416 10.178 ( 3.142 -0.000 0.000) 3.142 10.178 ( 3.142 0.000 0.000) 3.142 10.841 ( 4.887 -0.000 0.000) 4.887 10.841 ( 4.887 0.000 0.000) 4.887 11.102 ( -7.885 -0.000 0.000) 7.885 11.102 ( -7.885 0.000 0.000) 7.885 11.447 ( 5.530 0.000 0.000) 5.530 11.447 ( 5.530 0.000 0.000) 5.530 11.910 ( -12.352 -0.000 0.000) 12.352 11.910 ( -12.352 0.000 0.000) 12.352 12.119 ( 4.376 -0.000 0.000) 4.376 12.119 ( 4.376 0.000 0.000) 4.376 12.465 ( -13.609 0.000 0.000) 13.609 12.465 ( -13.609 0.000 0.000) 13.609 13.010 ( 4.735 0.000 0.000) 4.735 13.010 ( 4.735 0.000 0.000) 4.735 13.188 ( -11.973 0.000 0.000) 11.973 13.188 ( -11.973 0.000 0.000) 11.973 13.744 ( 13.549 -0.000 0.000) 13.549 13.744 ( 13.549 0.000 0.000) 13.549 14.556 ( -12.716 -0.000 0.000) 12.716 14.556 ( -12.716 0.000 0.000) 12.716 15.366 ( 19.895 -0.000 0.000) 19.895 15.366 ( 19.895 0.000 0.000) 19.895 15.528 ( 11.996 -0.000 0.000) 11.996 15.528 ( 11.996 0.000 0.000) 11.996 15.712 ( 3.550 -0.000 0.000) 3.550 15.712 ( 3.550 0.000 0.000) 3.550 16.276 ( -16.594 0.000 0.000) 16.594 16.276 ( -16.594 0.000 0.000) 16.594 16.870 ( 16.222 -0.000 0.000) 16.222 16.870 ( 16.222 0.000 0.000) 16.222 16.940 ( -2.504 -0.000 0.000) 2.504 16.940 ( -2.504 0.000 0.000) 2.504 17.224 ( 0.500 -0.000 0.000) 0.500 17.224 ( 0.500 0.000 0.000) 0.500 17.423 ( -2.017 -0.000 0.000) 2.017 17.423 ( -2.017 0.000 0.000) 2.017 17.507 ( -7.830 -0.000 0.000) 7.830 17.507 ( -7.830 0.000 0.000) 7.830 17.800 ( 0.029 0.000 0.000) 0.029 17.800 ( 0.029 -0.000 0.000) 0.029 18.005 ( -12.615 0.000 0.000) 12.615 18.005 ( -12.615 0.000 0.000) 12.615 18.177 ( -25.774 -0.000 0.000) 25.774 18.177 ( -25.774 0.000 0.000) 25.774 19.527 ( 12.027 -0.000 0.000) 12.027 19.527 ( 12.027 0.000 0.000) 12.027 19.765 ( -5.820 -0.000 0.000) 5.820 19.765 ( -5.820 0.000 0.000) 5.820 20.359 ( 2.404 -0.000 0.000) 2.404 20.359 ( 2.404 0.000 0.000) 2.404 20.362 ( 0.583 -0.000 0.000) 0.583 20.362 ( 0.583 0.000 0.000) 0.583 20.649 ( 7.672 -0.000 0.000) 7.672 20.649 ( 7.672 0.000 0.000) 7.672 20.764 ( 4.092 -0.000 0.000) 4.092 20.764 ( 4.092 0.000 0.000) 4.092 20.975 ( 2.524 -0.000 0.000) 2.524 20.975 ( 2.524 0.000 0.000) 2.524 21.055 ( 1.035 0.000 0.000) 1.035 21.055 ( 1.035 0.000 0.000) 1.035 21.316 ( -2.464 -0.000 0.000) 2.464 21.316 ( -2.464 0.000 0.000) 2.464 21.417 ( 1.095 -0.000 0.000) 1.095 21.417 ( 1.095 0.000 0.000) 1.095 21.994 ( 14.692 -0.000 0.000) 14.692 21.994 ( 14.692 0.000 0.000) 14.692 22.274 ( -3.648 -0.000 -0.000) 3.648 22.274 ( -3.648 0.000 -0.000) 3.648 22.285 ( 9.084 -0.000 0.000) 9.084 22.285 ( 9.084 0.000 0.000) 9.084 22.733 ( -2.979 0.000 0.000) 2.979 22.733 ( -2.979 0.000 0.000) 2.979 22.948 ( 0.573 -0.000 0.000) 0.573 22.948 ( 0.573 0.000 0.000) 0.573 23.133 ( -0.574 0.000 0.000) 0.574 23.133 ( -0.574 0.000 0.000) 0.574 23.415 ( -0.630 0.000 0.000) 0.630 23.415 ( -0.630 0.000 0.000) 0.630 23.504 ( 0.734 0.000 0.000) 0.734 23.504 ( 0.734 0.000 0.000) 0.734 23.740 ( 9.823 -0.000 -0.000) 9.823 23.740 ( 9.823 0.000 -0.000) 9.823 23.746 ( 8.339 -0.000 0.000) 8.339 23.746 ( 8.339 0.000 0.000) 8.339 24.036 ( -0.507 -0.000 0.000) 0.507 24.036 ( -0.507 0.000 0.000) 0.507 24.150 ( -3.112 -0.000 0.000) 3.112 24.150 ( -3.112 0.000 0.000) 3.112 24.377 ( -9.865 -0.000 0.000) 9.865 24.377 ( -9.865 0.000 0.000) 9.865 24.548 ( -18.304 -0.000 0.000) 18.304 24.548 ( -18.304 0.000 0.000) 18.304 24.882 ( -0.663 -0.000 0.000) 0.663 24.882 ( -0.663 0.000 0.000) 0.663 25.220 ( -11.103 -0.000 0.000) 11.103 25.220 ( -11.103 0.000 0.000) 11.103 26.110 ( 3.754 -0.000 0.000) 3.754 26.110 ( 3.754 0.000 0.000) 3.754 26.200 ( -0.753 0.000 0.000) 0.753 26.200 ( -0.753 0.000 0.000) 0.753 27.245 ( 4.549 -0.000 0.000) 4.549 27.245 ( 4.549 0.000 0.000) 4.549 27.370 ( -0.982 -0.000 0.000) 0.982 27.370 ( -0.982 0.000 0.000) 0.982 30.275 ( 8.105 -0.000 0.000) 8.105 30.275 ( 8.105 0.000 0.000) 8.105 30.656 ( -11.108 -0.000 0.000) 11.108 30.656 ( -11.108 0.000 0.000) 11.108 31.330 ( 2.886 -0.000 0.000) 2.886 31.330 ( 2.886 0.000 0.000) 2.886 31.441 ( -1.408 -0.000 0.000) 1.408 31.441 ( -1.408 0.000 0.000) 1.408 31.509 ( 4.368 -0.000 0.000) 4.368 31.509 ( 4.368 0.000 0.000) 4.368 31.547 ( 2.826 -0.000 0.000) 2.826 31.547 ( 2.826 0.000 0.000) 2.826 36.095 ( 7.364 -0.000 0.000) 7.364 36.095 ( 7.364 0.000 0.000) 7.364 36.182 ( 4.212 -0.000 0.000) 4.212 36.182 ( 4.212 0.000 0.000) 4.212 37.533 ( 2.307 -0.000 0.000) 2.307 37.533 ( 2.307 0.000 0.000) 2.307 37.806 ( -9.454 -0.000 0.000) 9.454 37.806 ( -9.454 0.000 0.000) 9.454 39.895 ( 12.375 -0.000 0.000) 12.375 39.895 ( 12.375 0.000 0.000) 12.375 39.947 ( 5.631 0.000 0.000) 5.631 39.947 ( 5.631 0.000 0.000) 5.631 40.407 ( -10.869 -0.000 -0.000) 10.869 40.407 ( -10.869 0.000 -0.000) 10.869 40.418 ( -5.956 -0.000 0.000) 5.956 40.418 ( -5.956 0.000 0.000) 5.956 41.908 ( 14.612 -0.000 0.000) 14.612 41.908 ( 14.612 0.000 0.000) 14.612 42.355 ( -7.833 -0.000 0.000) 7.833 42.355 ( -7.833 0.000 0.000) 7.833 42.955 ( -2.330 -0.000 0.000) 2.330 42.955 ( -2.330 0.000 0.000) 2.330 43.083 ( -7.954 -0.000 0.000) 7.954 43.083 ( -7.954 0.000 0.000) 7.954 ======================= Grid point 180 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -2.620 -0.309 0.000) 2.638 1.794 ( -2.620 -0.309 0.000) 2.638 1.794 ( 2.620 0.309 0.000) 2.638 1.794 ( 2.620 0.309 0.000) 2.638 1.900 ( -2.622 -0.244 0.000) 2.633 1.900 ( -2.622 -0.244 0.000) 2.633 1.900 ( 2.622 0.244 0.000) 2.633 1.900 ( 2.622 0.244 0.000) 2.633 2.440 ( -4.039 -0.667 0.000) 4.093 2.440 ( -4.039 -0.667 0.000) 4.093 2.440 ( 4.039 0.667 0.000) 4.093 2.440 ( 4.039 0.667 0.000) 4.093 3.238 ( -2.831 -4.487 0.000) 5.305 3.238 ( -2.831 -4.487 0.000) 5.305 3.238 ( 2.831 4.487 0.000) 5.305 3.238 ( 2.831 4.487 0.000) 5.305 3.906 ( -0.092 -12.517 0.000) 12.518 3.906 ( -0.092 -12.517 0.000) 12.518 3.906 ( 0.092 12.517 0.000) 12.518 3.906 ( 0.092 12.517 0.000) 12.518 4.315 ( -11.608 -0.006 0.000) 11.608 4.315 ( -11.608 -0.006 0.000) 11.608 4.315 ( 11.608 0.006 0.000) 11.608 4.315 ( 11.608 0.006 0.000) 11.608 5.148 ( -0.747 -4.710 0.000) 4.769 5.148 ( -0.747 -4.710 0.000) 4.769 5.148 ( 0.747 4.710 0.000) 4.769 5.148 ( 0.747 4.710 0.000) 4.769 6.139 ( -12.666 -0.188 0.000) 12.667 6.139 ( -12.666 -0.188 0.000) 12.667 6.139 ( 12.666 0.188 0.000) 12.667 6.139 ( 12.666 0.188 0.000) 12.667 6.527 ( -0.066 -2.195 0.000) 2.196 6.527 ( -0.065 -2.195 0.000) 2.196 6.527 ( 0.066 2.195 -0.000) 2.196 6.527 ( 0.066 2.195 0.000) 2.196 7.088 ( -5.618 -0.002 0.000) 5.618 7.088 ( -5.618 -0.002 0.000) 5.618 7.088 ( 5.618 0.002 0.000) 5.618 7.088 ( 5.618 0.002 0.000) 5.618 7.456 ( -0.002 -14.741 -0.000) 14.741 7.456 ( -0.002 -14.741 0.000) 14.741 7.456 ( 0.002 14.741 0.000) 14.741 7.456 ( 0.002 14.741 0.000) 14.741 7.868 ( -2.101 -8.821 0.000) 9.067 7.868 ( -2.101 -8.821 0.000) 9.067 7.868 ( 2.101 8.821 0.000) 9.067 7.868 ( 2.101 8.821 0.000) 9.067 8.375 ( -10.123 -1.455 0.000) 10.227 8.375 ( -10.123 -1.455 0.000) 10.227 8.375 ( 10.123 1.455 0.000) 10.227 8.375 ( 10.123 1.455 0.000) 10.227 9.258 ( -7.741 -5.357 0.000) 9.413 9.258 ( -7.741 -5.357 0.000) 9.413 9.258 ( 7.741 5.357 0.000) 9.413 9.258 ( 7.741 5.357 0.000) 9.413 9.424 ( -2.080 -2.438 0.000) 3.205 9.424 ( -2.080 -2.438 0.000) 3.205 9.424 ( 2.080 2.438 0.000) 3.205 9.424 ( 2.080 2.438 0.000) 3.205 10.226 ( -0.305 -5.779 0.000) 5.787 10.226 ( -0.305 -5.779 0.000) 5.787 10.226 ( 0.305 5.779 0.000) 5.787 10.226 ( 0.305 5.779 0.000) 5.787 10.933 ( -4.089 -3.901 0.000) 5.651 10.933 ( -4.089 -3.901 0.000) 5.651 10.933 ( 4.089 3.901 0.000) 5.651 10.933 ( 4.089 3.901 0.000) 5.651 11.643 ( -5.960 -13.256 0.000) 14.535 11.643 ( -5.960 -13.256 0.000) 14.535 11.643 ( 5.961 13.256 0.000) 14.535 11.643 ( 5.961 13.256 0.000) 14.535 12.241 ( -5.244 -4.219 0.000) 6.730 12.241 ( -5.244 -4.219 0.000) 6.730 12.241 ( 5.244 4.219 0.000) 6.730 12.241 ( 5.244 4.219 0.000) 6.730 13.056 ( -1.010 -2.150 0.000) 2.376 13.056 ( -1.010 -2.150 0.000) 2.376 13.056 ( 1.010 2.150 0.000) 2.376 13.056 ( 1.010 2.150 0.000) 2.376 14.145 ( -14.013 -14.193 0.000) 19.945 14.145 ( -14.013 -14.193 0.000) 19.945 14.145 ( 14.013 14.193 0.000) 19.945 14.145 ( 14.013 14.193 0.000) 19.945 15.692 ( -0.511 -4.151 0.000) 4.182 15.692 ( -0.511 -4.151 0.000) 4.182 15.692 ( 0.511 4.151 0.000) 4.182 15.692 ( 0.511 4.151 0.000) 4.182 15.873 ( -17.871 -5.464 0.000) 18.687 15.873 ( -17.871 -5.464 0.000) 18.687 15.873 ( 17.871 5.464 0.000) 18.687 15.873 ( 17.871 5.464 0.000) 18.687 16.967 ( -0.948 -13.730 0.000) 13.762 16.967 ( -0.948 -13.730 0.000) 13.762 16.967 ( 0.948 13.730 0.000) 13.762 16.967 ( 0.948 13.730 0.000) 13.762 17.306 ( -10.043 -0.347 0.000) 10.049 17.306 ( -10.043 -0.347 0.000) 10.049 17.306 ( 10.043 0.347 0.000) 10.049 17.306 ( 10.043 0.347 0.000) 10.049 17.664 ( -18.469 -1.573 0.000) 18.536 17.664 ( -18.469 -1.573 0.000) 18.536 17.664 ( 18.469 1.573 0.000) 18.536 17.664 ( 18.469 1.573 0.000) 18.536 17.853 ( -1.432 -10.514 0.000) 10.611 17.853 ( -1.432 -10.514 0.000) 10.611 17.853 ( 1.432 10.514 0.000) 10.611 17.853 ( 1.432 10.514 0.000) 10.611 19.678 ( -0.507 -20.052 0.000) 20.059 19.678 ( -0.507 -20.052 0.000) 20.059 19.678 ( 0.507 20.052 0.000) 20.059 19.678 ( 0.507 20.052 0.000) 20.059 20.377 ( -0.026 -2.261 0.000) 2.261 20.377 ( -0.026 -2.261 0.000) 2.261 20.377 ( 0.026 2.261 0.000) 2.261 20.377 ( 0.026 2.261 0.000) 2.261 20.767 ( -1.855 -2.520 0.000) 3.129 20.767 ( -1.855 -2.520 0.000) 3.129 20.767 ( 1.855 2.520 0.000) 3.129 20.767 ( 1.855 2.520 0.000) 3.129 21.025 ( -1.439 -2.006 0.000) 2.469 21.025 ( -1.439 -2.006 0.000) 2.469 21.025 ( 1.439 2.006 0.000) 2.469 21.025 ( 1.439 2.006 0.000) 2.469 21.369 ( -4.950 -0.092 0.000) 4.951 21.369 ( -4.950 -0.092 0.000) 4.951 21.369 ( 4.950 0.092 0.000) 4.951 21.369 ( 4.950 0.092 0.000) 4.951 22.190 ( -5.808 -0.000 0.000) 5.808 22.190 ( -5.808 -0.000 0.000) 5.808 22.190 ( 5.808 0.000 0.000) 5.808 22.190 ( 5.808 0.000 0.000) 5.808 22.530 ( -9.722 -5.418 0.000) 11.129 22.530 ( -9.722 -5.418 0.000) 11.129 22.530 ( 9.722 5.418 0.000) 11.129 22.530 ( 9.722 5.418 0.000) 11.129 23.052 ( -2.625 -7.249 0.000) 7.710 23.052 ( -2.625 -7.249 0.000) 7.710 23.052 ( 2.625 7.249 0.000) 7.710 23.052 ( 2.625 7.249 0.000) 7.710 23.463 ( -3.779 -0.259 0.000) 3.788 23.463 ( -3.779 -0.259 0.000) 3.788 23.463 ( 3.779 0.259 0.000) 3.788 23.463 ( 3.779 0.259 0.000) 3.788 23.871 ( -0.172 -2.423 0.000) 2.429 23.871 ( -0.172 -2.423 0.000) 2.429 23.871 ( 0.172 2.423 0.000) 2.429 23.871 ( 0.172 2.423 0.000) 2.429 24.063 ( -0.701 -7.766 0.000) 7.798 24.063 ( -0.701 -7.766 0.000) 7.798 24.063 ( 0.701 7.766 0.000) 7.798 24.063 ( 0.701 7.766 0.000) 7.798 24.285 ( -4.159 -0.526 0.000) 4.192 24.285 ( -4.159 -0.526 0.000) 4.192 24.285 ( 4.159 0.526 0.000) 4.192 24.285 ( 4.159 0.526 0.000) 4.192 24.994 ( -9.491 -1.111 0.000) 9.556 24.994 ( -9.491 -1.111 0.000) 9.556 24.994 ( 9.491 1.111 0.000) 9.556 24.994 ( 9.491 1.111 0.000) 9.556 26.170 ( -0.209 -12.140 0.000) 12.142 26.170 ( -0.209 -12.140 0.000) 12.142 26.170 ( 0.209 12.140 0.000) 12.142 26.170 ( 0.209 12.140 0.000) 12.142 27.327 ( -2.009 -1.892 0.000) 2.759 27.327 ( -2.009 -1.892 0.000) 2.759 27.327 ( 2.009 1.892 0.000) 2.759 27.327 ( 2.009 1.892 0.000) 2.759 30.452 ( -5.683 -5.605 0.000) 7.982 30.452 ( -5.683 -5.605 0.000) 7.982 30.452 ( 5.683 5.605 0.000) 7.982 30.452 ( 5.683 5.605 0.000) 7.982 31.390 ( -1.393 -2.753 0.000) 3.086 31.390 ( -1.393 -2.753 0.000) 3.086 31.390 ( 1.393 2.753 0.000) 3.086 31.390 ( 1.393 2.753 0.000) 3.086 31.568 ( -0.121 -5.210 0.000) 5.212 31.568 ( -0.121 -5.210 0.000) 5.212 31.568 ( 0.121 5.210 0.000) 5.212 31.568 ( 0.121 5.210 0.000) 5.212 36.202 ( -0.905 -3.281 0.000) 3.404 36.202 ( -0.905 -3.281 0.000) 3.404 36.202 ( 0.905 3.281 0.000) 3.404 36.202 ( 0.905 3.281 0.000) 3.404 37.630 ( -3.139 -7.590 0.000) 8.213 37.630 ( -3.139 -7.590 0.000) 8.213 37.630 ( 3.139 7.590 0.000) 8.213 37.630 ( 3.139 7.590 0.000) 8.213 40.044 ( -0.732 -0.244 0.000) 0.772 40.044 ( -0.732 -0.244 0.000) 0.772 40.044 ( 0.732 0.244 0.000) 0.772 40.044 ( 0.732 0.244 0.000) 0.772 40.298 ( -0.539 -7.839 0.000) 7.857 40.298 ( -0.539 -7.839 0.000) 7.857 40.298 ( 0.539 7.839 0.000) 7.857 40.298 ( 0.539 7.839 0.000) 7.857 42.168 ( -6.079 -7.854 0.000) 9.931 42.168 ( -6.079 -7.854 0.000) 9.931 42.168 ( 6.079 7.854 0.000) 9.931 42.168 ( 6.079 7.854 0.000) 9.931 42.962 ( -1.977 -2.097 0.000) 2.882 42.962 ( -1.977 -2.097 0.000) 2.882 42.962 ( 1.977 2.097 0.000) 2.882 42.962 ( 1.977 2.097 0.000) 2.882 =================== 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 3/39168 10.0 209.395 161.704 174.604 0.000 0.000 -0.000 3/39168 20.0 44.364 31.389 25.063 0.000 0.000 -0.000 3/39168 30.0 19.470 14.070 10.907 0.000 0.000 -0.000 3/39168 40.0 12.817 9.060 7.067 0.000 0.000 -0.000 3/39168 50.0 9.966 6.864 5.389 0.000 0.000 -0.000 3/39168 60.0 8.425 5.687 4.484 0.000 0.000 -0.000 3/39168 70.0 7.462 4.969 3.938 0.000 0.000 -0.000 3/39168 80.0 6.795 4.489 3.581 0.000 0.000 -0.000 3/39168 90.0 6.298 4.146 3.330 0.000 0.000 -0.000 3/39168 100.0 5.907 3.888 3.143 0.000 0.000 -0.000 3/39168 110.0 5.587 3.684 2.994 0.000 0.000 -0.000 3/39168 120.0 5.317 3.516 2.869 0.000 0.000 -0.000 3/39168 130.0 5.083 3.374 2.758 0.000 0.000 -0.000 3/39168 140.0 4.877 3.248 2.659 0.000 0.000 -0.000 3/39168 150.0 4.691 3.136 2.566 0.000 0.000 -0.000 3/39168 160.0 4.522 3.032 2.479 0.000 0.000 -0.000 3/39168 170.0 4.366 2.937 2.397 0.000 0.000 -0.000 3/39168 180.0 4.220 2.847 2.319 0.000 0.000 -0.000 3/39168 190.0 4.085 2.762 2.245 0.000 0.000 -0.000 3/39168 200.0 3.957 2.681 2.174 0.000 0.000 -0.000 3/39168 210.0 3.836 2.605 2.106 0.000 0.000 -0.000 3/39168 220.0 3.722 2.532 2.042 0.000 0.000 -0.000 3/39168 230.0 3.614 2.462 1.981 0.000 0.000 -0.000 3/39168 240.0 3.511 2.396 1.923 0.000 0.000 -0.000 3/39168 250.0 3.414 2.332 1.868 0.000 0.000 -0.000 3/39168 260.0 3.321 2.272 1.815 0.000 0.000 -0.000 3/39168 270.0 3.232 2.214 1.765 0.000 0.000 -0.000 3/39168 280.0 3.148 2.158 1.718 0.000 0.000 -0.000 3/39168 290.0 3.067 2.105 1.672 0.000 0.000 -0.000 3/39168 300.0 2.991 2.054 1.629 0.000 0.000 -0.000 3/39168 310.0 2.917 2.005 1.588 0.000 0.000 -0.000 3/39168 320.0 2.847 1.958 1.548 0.000 0.000 -0.000 3/39168 330.0 2.780 1.913 1.511 0.000 0.000 -0.000 3/39168 340.0 2.716 1.870 1.475 0.000 0.000 -0.000 3/39168 350.0 2.654 1.829 1.441 0.000 0.000 -0.000 3/39168 360.0 2.595 1.790 1.408 0.000 0.000 -0.000 3/39168 370.0 2.539 1.752 1.377 0.000 0.000 -0.000 3/39168 380.0 2.484 1.715 1.347 0.000 0.000 -0.000 3/39168 390.0 2.432 1.680 1.318 0.000 0.000 -0.000 3/39168 400.0 2.382 1.646 1.290 0.000 0.000 -0.000 3/39168 410.0 2.334 1.613 1.264 0.000 0.000 -0.000 3/39168 420.0 2.288 1.582 1.238 0.000 0.000 -0.000 3/39168 430.0 2.243 1.552 1.214 0.000 0.000 -0.000 3/39168 440.0 2.201 1.523 1.191 0.000 0.000 -0.000 3/39168 450.0 2.159 1.495 1.168 0.000 0.000 -0.000 3/39168 460.0 2.119 1.468 1.146 0.000 0.000 -0.000 3/39168 470.0 2.081 1.441 1.125 0.000 0.000 -0.000 3/39168 480.0 2.044 1.416 1.105 0.000 0.000 -0.000 3/39168 490.0 2.008 1.392 1.086 0.000 0.000 -0.000 3/39168 500.0 1.973 1.368 1.067 0.000 0.000 -0.000 3/39168 510.0 1.940 1.345 1.049 0.000 0.000 -0.000 3/39168 520.0 1.908 1.323 1.031 0.000 0.000 -0.000 3/39168 530.0 1.876 1.302 1.014 0.000 0.000 -0.000 3/39168 540.0 1.846 1.281 0.998 0.000 0.000 -0.000 3/39168 550.0 1.817 1.261 0.982 0.000 0.000 -0.000 3/39168 560.0 1.788 1.241 0.967 0.000 0.000 -0.000 3/39168 570.0 1.760 1.223 0.952 0.000 0.000 -0.000 3/39168 580.0 1.734 1.204 0.937 0.000 0.000 -0.000 3/39168 590.0 1.708 1.186 0.923 0.000 0.000 -0.000 3/39168 600.0 1.682 1.169 0.910 0.000 0.000 -0.000 3/39168 610.0 1.658 1.152 0.897 0.000 0.000 -0.000 3/39168 620.0 1.634 1.136 0.884 0.000 0.000 -0.000 3/39168 630.0 1.611 1.120 0.871 0.000 0.000 -0.000 3/39168 640.0 1.589 1.105 0.859 0.000 0.000 -0.000 3/39168 650.0 1.567 1.089 0.847 0.000 0.000 -0.000 3/39168 660.0 1.545 1.075 0.836 0.000 0.000 -0.000 3/39168 670.0 1.525 1.061 0.825 0.000 0.000 -0.000 3/39168 680.0 1.505 1.047 0.814 0.000 0.000 -0.000 3/39168 690.0 1.485 1.033 0.804 0.000 0.000 -0.000 3/39168 700.0 1.466 1.020 0.793 0.000 0.000 -0.000 3/39168 710.0 1.447 1.007 0.783 0.000 0.000 -0.000 3/39168 720.0 1.429 0.995 0.774 0.000 0.000 -0.000 3/39168 730.0 1.411 0.982 0.764 0.000 0.000 -0.000 3/39168 740.0 1.394 0.970 0.755 0.000 0.000 -0.000 3/39168 750.0 1.377 0.959 0.746 0.000 0.000 -0.000 3/39168 760.0 1.360 0.947 0.737 0.000 0.000 -0.000 3/39168 770.0 1.344 0.936 0.728 0.000 0.000 -0.000 3/39168 780.0 1.329 0.925 0.720 0.000 0.000 -0.000 3/39168 790.0 1.313 0.915 0.712 0.000 0.000 -0.000 3/39168 800.0 1.298 0.904 0.704 0.000 0.000 -0.000 3/39168 810.0 1.283 0.894 0.696 0.000 0.000 -0.000 3/39168 820.0 1.269 0.884 0.688 0.000 0.000 -0.000 3/39168 830.0 1.255 0.875 0.680 0.000 0.000 -0.000 3/39168 840.0 1.241 0.865 0.673 0.000 0.000 -0.000 3/39168 850.0 1.228 0.856 0.666 0.000 0.000 -0.000 3/39168 860.0 1.215 0.847 0.659 0.000 0.000 -0.000 3/39168 870.0 1.202 0.838 0.652 0.000 0.000 -0.000 3/39168 880.0 1.189 0.829 0.645 0.000 0.000 -0.000 3/39168 890.0 1.177 0.820 0.639 0.000 0.000 -0.000 3/39168 900.0 1.165 0.812 0.632 0.000 0.000 -0.000 3/39168 910.0 1.153 0.804 0.626 0.000 0.000 -0.000 3/39168 920.0 1.141 0.796 0.620 0.000 0.000 -0.000 3/39168 930.0 1.130 0.788 0.613 0.000 0.000 -0.000 3/39168 940.0 1.119 0.780 0.608 0.000 0.000 -0.000 3/39168 950.0 1.108 0.773 0.602 0.000 0.000 -0.000 3/39168 960.0 1.097 0.765 0.596 0.000 0.000 -0.000 3/39168 970.0 1.087 0.758 0.590 0.000 0.000 -0.000 3/39168 980.0 1.076 0.751 0.585 0.000 0.000 -0.000 3/39168 990.0 1.066 0.744 0.579 0.000 0.000 -0.000 3/39168 1000.0 1.056 0.737 0.574 0.000 0.000 -0.000 3/39168 Thermal conductivity related properties were written into "kappa-m648.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:34:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|