----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:01:49]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.201082160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.624952100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.126874450000001 Atomic positions (fractional): *1 Er 0.11835484525135 0.75000000000000 0.27501155024531 167.259 *2 Er 0.13550249352870 0.75000000000000 0.94381669583604 167.259 3 Er 0.36449750647130 0.25000000000000 0.44381669583604 167.259 4 Er 0.38164515474865 0.25000000000000 0.77501155024531 167.259 5 Er 0.61835484525135 0.75000000000000 0.22498844975469 167.259 6 Er 0.63550249352870 0.75000000000000 0.55618330416396 167.259 7 Er 0.86449750647130 0.25000000000000 0.05618330416396 167.259 8 Er 0.88164515474865 0.25000000000000 0.72498844975469 167.259 *9 Ti 0.17117508809992 0.75000000000000 0.61768557694480 47.867 10 Ti 0.32882491190008 0.25000000000000 0.11768557694480 47.867 11 Ti 0.67117508809992 0.75000000000000 0.88231442305520 47.867 12 Ti 0.82882491190008 0.25000000000000 0.38231442305520 47.867 *13 O 0.00600918091648 0.25000000000000 0.89493937336731 15.999 *14 O 0.00133077674300 0.75000000000000 0.65375369828076 15.999 *15 O 0.22460332522823 0.75000000000000 0.45453234223412 15.999 *16 O 0.24696664554109 0.25000000000000 0.27076680017491 15.999 *17 O 0.23807968634864 0.25000000000000 0.61498498431208 15.999 18 O 0.26192031365136 0.75000000000000 0.11498498431208 15.999 19 O 0.25303335445891 0.75000000000000 0.77076680017491 15.999 20 O 0.27539667477177 0.25000000000000 0.95453234223412 15.999 21 O 0.49866922325700 0.25000000000000 0.15375369828076 15.999 22 O 0.49399081908352 0.75000000000000 0.39493937336731 15.999 23 O 0.50600918091648 0.25000000000000 0.60506062663269 15.999 24 O 0.50133077674300 0.75000000000000 0.84624630171924 15.999 25 O 0.72460332522823 0.75000000000000 0.04546765776588 15.999 26 O 0.74696664554109 0.25000000000000 0.22923319982509 15.999 27 O 0.73807968634864 0.25000000000000 0.88501501568792 15.999 28 O 0.76192031365136 0.75000000000000 0.38501501568792 15.999 29 O 0.75303335445891 0.75000000000000 0.72923319982509 15.999 30 O 0.77539667477177 0.25000000000000 0.54546765776588 15.999 31 O 0.99866922325700 0.25000000000000 0.34624630171924 15.999 32 O 0.99399081908352 0.75000000000000 0.10506062663269 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.201082160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.624952100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.126874450000001 Atomic positions (fractional): *1 Er 0.11835484525135 0.75000000000000 0.27501155024531 167.259 > 1 *2 Er 0.13550249352870 0.75000000000000 0.94381669583604 167.259 > 2 3 Er 0.36449750647130 0.25000000000000 0.44381669583604 167.259 > 3 4 Er 0.38164515474865 0.25000000000000 0.77501155024531 167.259 > 4 5 Er 0.61835484525135 0.75000000000000 0.22498844975469 167.259 > 5 6 Er 0.63550249352870 0.75000000000000 0.55618330416396 167.259 > 6 7 Er 0.86449750647130 0.25000000000000 0.05618330416396 167.259 > 7 8 Er 0.88164515474865 0.25000000000000 0.72498844975469 167.259 > 8 *9 Ti 0.17117508809992 0.75000000000000 0.61768557694480 47.867 > 9 10 Ti 0.32882491190008 0.25000000000000 0.11768557694480 47.867 > 10 11 Ti 0.67117508809992 0.75000000000000 0.88231442305520 47.867 > 11 12 Ti 0.82882491190008 0.25000000000000 0.38231442305520 47.867 > 12 *13 O 0.00600918091648 0.25000000000000 0.89493937336731 15.999 > 13 *14 O 0.00133077674300 0.75000000000000 0.65375369828076 15.999 > 14 *15 O 0.22460332522823 0.75000000000000 0.45453234223412 15.999 > 15 *16 O 0.24696664554109 0.25000000000000 0.27076680017491 15.999 > 16 *17 O 0.23807968634864 0.25000000000000 0.61498498431208 15.999 > 17 18 O 0.26192031365136 0.75000000000000 0.11498498431208 15.999 > 18 19 O 0.25303335445891 0.75000000000000 0.77076680017491 15.999 > 19 20 O 0.27539667477177 0.25000000000000 0.95453234223412 15.999 > 20 21 O 0.49866922325700 0.25000000000000 0.15375369828076 15.999 > 21 22 O 0.49399081908352 0.75000000000000 0.39493937336731 15.999 > 22 23 O 0.50600918091648 0.25000000000000 0.60506062663269 15.999 > 23 24 O 0.50133077674300 0.75000000000000 0.84624630171924 15.999 > 24 25 O 0.72460332522823 0.75000000000000 0.04546765776588 15.999 > 25 26 O 0.74696664554109 0.25000000000000 0.22923319982509 15.999 > 26 27 O 0.73807968634864 0.25000000000000 0.88501501568792 15.999 > 27 28 O 0.76192031365136 0.75000000000000 0.38501501568792 15.999 > 28 29 O 0.75303335445891 0.75000000000000 0.72923319982509 15.999 > 29 30 O 0.77539667477177 0.25000000000000 0.54546765776588 15.999 > 30 31 O 0.99866922325700 0.25000000000000 0.34624630171924 15.999 > 31 32 O 0.99399081908352 0.75000000000000 0.10506062663269 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.201082160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.874856299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.126874450000001 Atomic positions (fractional): *1 Er 0.11835484525135 0.25000000000000 0.27501155024531 167.259 > 1 2 Er 0.11835484525135 0.58333333333333 0.27501155024531 167.259 > 1 3 Er 0.11835484525135 0.91666666666667 0.27501155024531 167.259 > 1 *4 Er 0.13550249352870 0.25000000000000 0.94381669583604 167.259 > 2 5 Er 0.13550249352870 0.58333333333333 0.94381669583604 167.259 > 2 6 Er 0.13550249352870 0.91666666666667 0.94381669583604 167.259 > 2 7 Er 0.36449750647130 0.08333333333333 0.44381669583604 167.259 > 3 8 Er 0.36449750647130 0.41666666666667 0.44381669583604 167.259 > 3 9 Er 0.36449750647130 0.75000000000000 0.44381669583604 167.259 > 3 10 Er 0.38164515474865 0.08333333333333 0.77501155024531 167.259 > 4 11 Er 0.38164515474865 0.41666666666667 0.77501155024531 167.259 > 4 12 Er 0.38164515474865 0.75000000000000 0.77501155024531 167.259 > 4 13 Er 0.61835484525135 0.25000000000000 0.22498844975469 167.259 > 5 14 Er 0.61835484525135 0.58333333333333 0.22498844975469 167.259 > 5 15 Er 0.61835484525135 0.91666666666667 0.22498844975469 167.259 > 5 16 Er 0.63550249352870 0.25000000000000 0.55618330416396 167.259 > 6 17 Er 0.63550249352870 0.58333333333333 0.55618330416396 167.259 > 6 18 Er 0.63550249352870 0.91666666666667 0.55618330416396 167.259 > 6 19 Er 0.86449750647130 0.08333333333333 0.05618330416396 167.259 > 7 20 Er 0.86449750647130 0.41666666666667 0.05618330416396 167.259 > 7 21 Er 0.86449750647130 0.75000000000000 0.05618330416396 167.259 > 7 22 Er 0.88164515474865 0.08333333333333 0.72498844975469 167.259 > 8 23 Er 0.88164515474865 0.41666666666667 0.72498844975469 167.259 > 8 24 Er 0.88164515474865 0.75000000000000 0.72498844975469 167.259 > 8 *25 Ti 0.17117508809992 0.25000000000000 0.61768557694480 47.867 > 9 26 Ti 0.17117508809992 0.58333333333333 0.61768557694480 47.867 > 9 27 Ti 0.17117508809992 0.91666666666667 0.61768557694480 47.867 > 9 28 Ti 0.32882491190008 0.08333333333333 0.11768557694480 47.867 > 10 29 Ti 0.32882491190008 0.41666666666667 0.11768557694480 47.867 > 10 30 Ti 0.32882491190008 0.75000000000000 0.11768557694480 47.867 > 10 31 Ti 0.67117508809992 0.25000000000000 0.88231442305520 47.867 > 11 32 Ti 0.67117508809992 0.58333333333333 0.88231442305520 47.867 > 11 33 Ti 0.67117508809992 0.91666666666667 0.88231442305520 47.867 > 11 34 Ti 0.82882491190008 0.08333333333333 0.38231442305520 47.867 > 12 35 Ti 0.82882491190008 0.41666666666667 0.38231442305520 47.867 > 12 36 Ti 0.82882491190008 0.75000000000000 0.38231442305520 47.867 > 12 *37 O 0.00600918091648 0.08333333333333 0.89493937336731 15.999 > 13 38 O 0.00600918091648 0.41666666666667 0.89493937336731 15.999 > 13 39 O 0.00600918091648 0.75000000000000 0.89493937336731 15.999 > 13 *40 O 0.00133077674300 0.25000000000000 0.65375369828076 15.999 > 14 41 O 0.00133077674300 0.58333333333333 0.65375369828076 15.999 > 14 42 O 0.00133077674300 0.91666666666667 0.65375369828076 15.999 > 14 *43 O 0.22460332522823 0.25000000000000 0.45453234223412 15.999 > 15 44 O 0.22460332522823 0.58333333333333 0.45453234223412 15.999 > 15 45 O 0.22460332522823 0.91666666666667 0.45453234223412 15.999 > 15 *46 O 0.24696664554109 0.08333333333333 0.27076680017491 15.999 > 16 47 O 0.24696664554109 0.41666666666667 0.27076680017491 15.999 > 16 48 O 0.24696664554109 0.75000000000000 0.27076680017491 15.999 > 16 *49 O 0.23807968634864 0.08333333333333 0.61498498431208 15.999 > 17 50 O 0.23807968634864 0.41666666666667 0.61498498431208 15.999 > 17 51 O 0.23807968634864 0.75000000000000 0.61498498431208 15.999 > 17 52 O 0.26192031365136 0.25000000000000 0.11498498431208 15.999 > 18 53 O 0.26192031365136 0.58333333333333 0.11498498431208 15.999 > 18 54 O 0.26192031365136 0.91666666666667 0.11498498431208 15.999 > 18 55 O 0.25303335445891 0.25000000000000 0.77076680017491 15.999 > 19 56 O 0.25303335445891 0.58333333333333 0.77076680017491 15.999 > 19 57 O 0.25303335445891 0.91666666666667 0.77076680017491 15.999 > 19 58 O 0.27539667477177 0.08333333333333 0.95453234223412 15.999 > 20 59 O 0.27539667477177 0.41666666666667 0.95453234223412 15.999 > 20 60 O 0.27539667477177 0.75000000000000 0.95453234223412 15.999 > 20 61 O 0.49866922325700 0.08333333333333 0.15375369828076 15.999 > 21 62 O 0.49866922325700 0.41666666666667 0.15375369828076 15.999 > 21 63 O 0.49866922325700 0.75000000000000 0.15375369828076 15.999 > 21 64 O 0.49399081908352 0.25000000000000 0.39493937336731 15.999 > 22 65 O 0.49399081908352 0.58333333333333 0.39493937336731 15.999 > 22 66 O 0.49399081908352 0.91666666666667 0.39493937336731 15.999 > 22 67 O 0.50600918091648 0.08333333333333 0.60506062663269 15.999 > 23 68 O 0.50600918091648 0.41666666666667 0.60506062663269 15.999 > 23 69 O 0.50600918091648 0.75000000000000 0.60506062663269 15.999 > 23 70 O 0.50133077674300 0.25000000000000 0.84624630171924 15.999 > 24 71 O 0.50133077674300 0.58333333333333 0.84624630171924 15.999 > 24 72 O 0.50133077674300 0.91666666666667 0.84624630171924 15.999 > 24 73 O 0.72460332522823 0.25000000000000 0.04546765776588 15.999 > 25 74 O 0.72460332522823 0.58333333333333 0.04546765776588 15.999 > 25 75 O 0.72460332522823 0.91666666666667 0.04546765776588 15.999 > 25 76 O 0.74696664554109 0.08333333333333 0.22923319982509 15.999 > 26 77 O 0.74696664554109 0.41666666666667 0.22923319982509 15.999 > 26 78 O 0.74696664554109 0.75000000000000 0.22923319982509 15.999 > 26 79 O 0.73807968634864 0.08333333333333 0.88501501568792 15.999 > 27 80 O 0.73807968634864 0.41666666666667 0.88501501568792 15.999 > 27 81 O 0.73807968634864 0.75000000000000 0.88501501568792 15.999 > 27 82 O 0.76192031365136 0.25000000000000 0.38501501568792 15.999 > 28 83 O 0.76192031365136 0.58333333333333 0.38501501568792 15.999 > 28 84 O 0.76192031365136 0.91666666666667 0.38501501568792 15.999 > 28 85 O 0.75303335445891 0.25000000000000 0.72923319982509 15.999 > 29 86 O 0.75303335445891 0.58333333333333 0.72923319982509 15.999 > 29 87 O 0.75303335445891 0.91666666666667 0.72923319982509 15.999 > 29 88 O 0.77539667477177 0.08333333333333 0.54546765776588 15.999 > 30 89 O 0.77539667477177 0.41666666666667 0.54546765776588 15.999 > 30 90 O 0.77539667477177 0.75000000000000 0.54546765776588 15.999 > 30 91 O 0.99866922325700 0.08333333333333 0.34624630171924 15.999 > 31 92 O 0.99866922325700 0.41666666666667 0.34624630171924 15.999 > 31 93 O 0.99866922325700 0.75000000000000 0.34624630171924 15.999 > 31 94 O 0.99399081908352 0.25000000000000 0.10506062663269 15.999 > 32 95 O 0.99399081908352 0.58333333333333 0.10506062663269 15.999 > 32 96 O 0.99399081908352 0.91666666666667 0.10506062663269 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4103523 0.0000000 0.0000000 0.0000000 4.6071143 0.0000000 0.0000000 0.0000000 4.5905622 -------------------------- Born effective charges -------------------------- 1 Er 4.2176396 0.0000000 -0.1063383 0.0000000 3.8053494 0.0000000 0.3802095 0.0000000 4.0739773 2 Er 3.8137153 0.0000000 -0.2994384 0.0000000 3.8390430 0.0000000 0.0729723 0.0000000 3.6332082 3 Er 3.8137153 0.0000000 0.2994384 0.0000000 3.8390430 0.0000000 -0.0729723 0.0000000 3.6332082 4 Er 4.2176396 0.0000000 0.1063383 0.0000000 3.8053494 0.0000000 -0.3802095 0.0000000 4.0739773 5 Er 4.2176396 0.0000000 0.1063383 0.0000000 3.8053494 0.0000000 -0.3802095 0.0000000 4.0739773 6 Er 3.8137153 0.0000000 0.2994384 0.0000000 3.8390430 0.0000000 -0.0729723 0.0000000 3.6332082 7 Er 3.8137153 0.0000000 -0.2994384 0.0000000 3.8390430 0.0000000 0.0729723 0.0000000 3.6332082 8 Er 4.2176396 0.0000000 -0.1063383 0.0000000 3.8053494 0.0000000 0.3802095 0.0000000 4.0739773 9 Ti 3.5650925 0.0000000 -0.1087923 0.0000000 5.1278852 0.0000000 -0.4467874 0.0000000 4.6477953 10 Ti 3.5650925 0.0000000 0.1087923 0.0000000 5.1278852 0.0000000 0.4467874 0.0000000 4.6477953 11 Ti 3.5650925 0.0000000 0.1087923 0.0000000 5.1278852 0.0000000 0.4467874 0.0000000 4.6477953 12 Ti 3.5650925 0.0000000 -0.1087923 0.0000000 5.1278852 0.0000000 -0.4467874 0.0000000 4.6477953 13 O -2.4944909 0.0000000 -0.0602697 0.0000000 -2.3511335 0.0000000 -0.4197467 0.0000000 -2.4935230 14 O -3.4886872 0.0000000 0.8078196 0.0000000 -1.7937953 0.0000000 0.7691329 0.0000000 -1.3061465 15 O -1.8769036 0.0000000 0.1003947 0.0000000 -2.2578956 0.0000000 0.3567451 0.0000000 -3.6402458 16 O -2.1675334 0.0000000 0.3382655 0.0000000 -2.3789563 0.0000000 0.3999850 0.0000000 -3.1043335 17 O -1.5688322 0.0000000 -0.0905520 0.0000000 -3.9904969 0.0000000 0.0913513 0.0000000 -1.8107320 18 O -1.5688322 0.0000000 0.0905520 0.0000000 -3.9904969 0.0000000 -0.0913513 0.0000000 -1.8107320 19 O -2.1675334 0.0000000 -0.3382655 0.0000000 -2.3789563 0.0000000 -0.3999850 0.0000000 -3.1043335 20 O -1.8769036 0.0000000 -0.1003947 0.0000000 -2.2578956 0.0000000 -0.3567451 0.0000000 -3.6402458 21 O -3.4886872 0.0000000 -0.8078196 0.0000000 -1.7937953 0.0000000 -0.7691329 0.0000000 -1.3061465 22 O -2.4944909 0.0000000 0.0602697 0.0000000 -2.3511335 0.0000000 0.4197467 0.0000000 -2.4935230 23 O -2.4944909 0.0000000 0.0602697 0.0000000 -2.3511335 0.0000000 0.4197467 0.0000000 -2.4935230 24 O -3.4886872 0.0000000 -0.8078196 0.0000000 -1.7937953 0.0000000 -0.7691329 0.0000000 -1.3061465 25 O -1.8769036 0.0000000 -0.1003947 0.0000000 -2.2578956 0.0000000 -0.3567451 0.0000000 -3.6402458 26 O -2.1675334 0.0000000 -0.3382655 0.0000000 -2.3789563 0.0000000 -0.3999850 0.0000000 -3.1043335 27 O -1.5688322 0.0000000 0.0905520 0.0000000 -3.9904969 0.0000000 -0.0913513 0.0000000 -1.8107320 28 O -1.5688322 0.0000000 -0.0905520 0.0000000 -3.9904969 0.0000000 0.0913513 0.0000000 -1.8107320 29 O -2.1675334 0.0000000 0.3382655 0.0000000 -2.3789563 0.0000000 0.3999850 0.0000000 -3.1043335 30 O -1.8769036 0.0000000 0.1003947 0.0000000 -2.2578956 0.0000000 0.3567451 0.0000000 -3.6402458 31 O -3.4886872 0.0000000 0.8078196 0.0000000 -1.7937953 0.0000000 0.7691329 0.0000000 -1.3061465 32 O -2.4944909 0.0000000 -0.0602697 0.0000000 -2.3511335 0.0000000 -0.4197467 0.0000000 -2.4935230 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.561 Solver_block: 200 / 480 - Time: 2.564 Solver_block: 300 / 480 - Time: 2.563 Solver_block: 400 / 480 - Time: 2.563 Solver_block: 480 / 480 - Time: 2.093 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.394 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:02:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:02:19]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.201082160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.624952100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.126874450000001 Atomic positions (fractional): 1 Er 0.11835484525135 0.75000000000000 0.27501155024531 167.259 2 Er 0.13550249352870 0.75000000000000 0.94381669583604 167.259 3 Er 0.36449750647130 0.25000000000000 0.44381669583604 167.259 4 Er 0.38164515474865 0.25000000000000 0.77501155024531 167.259 5 Er 0.61835484525135 0.75000000000000 0.22498844975469 167.259 6 Er 0.63550249352870 0.75000000000000 0.55618330416396 167.259 7 Er 0.86449750647130 0.25000000000000 0.05618330416396 167.259 8 Er 0.88164515474865 0.25000000000000 0.72498844975469 167.259 9 Ti 0.17117508809992 0.75000000000000 0.61768557694480 47.867 10 Ti 0.32882491190008 0.25000000000000 0.11768557694480 47.867 11 Ti 0.67117508809992 0.75000000000000 0.88231442305520 47.867 12 Ti 0.82882491190008 0.25000000000000 0.38231442305520 47.867 13 O 0.00600918091648 0.25000000000000 0.89493937336731 15.999 14 O 0.00133077674300 0.75000000000000 0.65375369828076 15.999 15 O 0.22460332522823 0.75000000000000 0.45453234223412 15.999 16 O 0.24696664554109 0.25000000000000 0.27076680017491 15.999 17 O 0.23807968634864 0.25000000000000 0.61498498431208 15.999 18 O 0.26192031365136 0.75000000000000 0.11498498431208 15.999 19 O 0.25303335445891 0.75000000000000 0.77076680017491 15.999 20 O 0.27539667477177 0.25000000000000 0.95453234223412 15.999 21 O 0.49866922325700 0.25000000000000 0.15375369828076 15.999 22 O 0.49399081908352 0.75000000000000 0.39493937336731 15.999 23 O 0.50600918091648 0.25000000000000 0.60506062663269 15.999 24 O 0.50133077674300 0.75000000000000 0.84624630171924 15.999 25 O 0.72460332522823 0.75000000000000 0.04546765776588 15.999 26 O 0.74696664554109 0.25000000000000 0.22923319982509 15.999 27 O 0.73807968634864 0.25000000000000 0.88501501568792 15.999 28 O 0.76192031365136 0.75000000000000 0.38501501568792 15.999 29 O 0.75303335445891 0.75000000000000 0.72923319982509 15.999 30 O 0.77539667477177 0.25000000000000 0.54546765776588 15.999 31 O 0.99866922325700 0.25000000000000 0.34624630171924 15.999 32 O 0.99399081908352 0.75000000000000 0.10506062663269 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.201082160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.874856299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.126874450000001 Atomic positions (fractional): 1 Er 0.11835484525135 0.25000000000000 0.27501155024531 167.259 > 1 2 Er 0.11835484525135 0.58333333333333 0.27501155024531 167.259 > 1 3 Er 0.11835484525135 0.91666666666667 0.27501155024531 167.259 > 1 4 Er 0.13550249352870 0.25000000000000 0.94381669583604 167.259 > 4 5 Er 0.13550249352870 0.58333333333333 0.94381669583604 167.259 > 4 6 Er 0.13550249352870 0.91666666666667 0.94381669583604 167.259 > 4 7 Er 0.36449750647130 0.08333333333333 0.44381669583604 167.259 > 7 8 Er 0.36449750647130 0.41666666666667 0.44381669583604 167.259 > 7 9 Er 0.36449750647130 0.75000000000000 0.44381669583604 167.259 > 7 10 Er 0.38164515474865 0.08333333333333 0.77501155024531 167.259 > 10 11 Er 0.38164515474865 0.41666666666667 0.77501155024531 167.259 > 10 12 Er 0.38164515474865 0.75000000000000 0.77501155024531 167.259 > 10 13 Er 0.61835484525135 0.25000000000000 0.22498844975469 167.259 > 13 14 Er 0.61835484525135 0.58333333333333 0.22498844975469 167.259 > 13 15 Er 0.61835484525135 0.91666666666667 0.22498844975469 167.259 > 13 16 Er 0.63550249352870 0.25000000000000 0.55618330416396 167.259 > 16 17 Er 0.63550249352870 0.58333333333333 0.55618330416396 167.259 > 16 18 Er 0.63550249352870 0.91666666666667 0.55618330416396 167.259 > 16 19 Er 0.86449750647130 0.08333333333333 0.05618330416396 167.259 > 19 20 Er 0.86449750647130 0.41666666666667 0.05618330416396 167.259 > 19 21 Er 0.86449750647130 0.75000000000000 0.05618330416396 167.259 > 19 22 Er 0.88164515474865 0.08333333333333 0.72498844975469 167.259 > 22 23 Er 0.88164515474865 0.41666666666667 0.72498844975469 167.259 > 22 24 Er 0.88164515474865 0.75000000000000 0.72498844975469 167.259 > 22 25 Ti 0.17117508809992 0.25000000000000 0.61768557694480 47.867 > 25 26 Ti 0.17117508809992 0.58333333333333 0.61768557694480 47.867 > 25 27 Ti 0.17117508809992 0.91666666666667 0.61768557694480 47.867 > 25 28 Ti 0.32882491190008 0.08333333333333 0.11768557694480 47.867 > 28 29 Ti 0.32882491190008 0.41666666666667 0.11768557694480 47.867 > 28 30 Ti 0.32882491190008 0.75000000000000 0.11768557694480 47.867 > 28 31 Ti 0.67117508809992 0.25000000000000 0.88231442305520 47.867 > 31 32 Ti 0.67117508809992 0.58333333333333 0.88231442305520 47.867 > 31 33 Ti 0.67117508809992 0.91666666666667 0.88231442305520 47.867 > 31 34 Ti 0.82882491190008 0.08333333333333 0.38231442305520 47.867 > 34 35 Ti 0.82882491190008 0.41666666666667 0.38231442305520 47.867 > 34 36 Ti 0.82882491190008 0.75000000000000 0.38231442305520 47.867 > 34 37 O 0.00600918091648 0.08333333333333 0.89493937336731 15.999 > 37 38 O 0.00600918091648 0.41666666666667 0.89493937336731 15.999 > 37 39 O 0.00600918091648 0.75000000000000 0.89493937336731 15.999 > 37 40 O 0.00133077674300 0.25000000000000 0.65375369828076 15.999 > 40 41 O 0.00133077674300 0.58333333333333 0.65375369828076 15.999 > 40 42 O 0.00133077674300 0.91666666666667 0.65375369828076 15.999 > 40 43 O 0.22460332522823 0.25000000000000 0.45453234223412 15.999 > 43 44 O 0.22460332522823 0.58333333333333 0.45453234223412 15.999 > 43 45 O 0.22460332522823 0.91666666666667 0.45453234223412 15.999 > 43 46 O 0.24696664554109 0.08333333333333 0.27076680017491 15.999 > 46 47 O 0.24696664554109 0.41666666666667 0.27076680017491 15.999 > 46 48 O 0.24696664554109 0.75000000000000 0.27076680017491 15.999 > 46 49 O 0.23807968634864 0.08333333333333 0.61498498431208 15.999 > 49 50 O 0.23807968634864 0.41666666666667 0.61498498431208 15.999 > 49 51 O 0.23807968634864 0.75000000000000 0.61498498431208 15.999 > 49 52 O 0.26192031365136 0.25000000000000 0.11498498431208 15.999 > 52 53 O 0.26192031365136 0.58333333333333 0.11498498431208 15.999 > 52 54 O 0.26192031365136 0.91666666666667 0.11498498431208 15.999 > 52 55 O 0.25303335445891 0.25000000000000 0.77076680017491 15.999 > 55 56 O 0.25303335445891 0.58333333333333 0.77076680017491 15.999 > 55 57 O 0.25303335445891 0.91666666666667 0.77076680017491 15.999 > 55 58 O 0.27539667477177 0.08333333333333 0.95453234223412 15.999 > 58 59 O 0.27539667477177 0.41666666666667 0.95453234223412 15.999 > 58 60 O 0.27539667477177 0.75000000000000 0.95453234223412 15.999 > 58 61 O 0.49866922325700 0.08333333333333 0.15375369828076 15.999 > 61 62 O 0.49866922325700 0.41666666666667 0.15375369828076 15.999 > 61 63 O 0.49866922325700 0.75000000000000 0.15375369828076 15.999 > 61 64 O 0.49399081908352 0.25000000000000 0.39493937336731 15.999 > 64 65 O 0.49399081908352 0.58333333333333 0.39493937336731 15.999 > 64 66 O 0.49399081908352 0.91666666666667 0.39493937336731 15.999 > 64 67 O 0.50600918091648 0.08333333333333 0.60506062663269 15.999 > 67 68 O 0.50600918091648 0.41666666666667 0.60506062663269 15.999 > 67 69 O 0.50600918091648 0.75000000000000 0.60506062663269 15.999 > 67 70 O 0.50133077674300 0.25000000000000 0.84624630171924 15.999 > 70 71 O 0.50133077674300 0.58333333333333 0.84624630171924 15.999 > 70 72 O 0.50133077674300 0.91666666666667 0.84624630171924 15.999 > 70 73 O 0.72460332522823 0.25000000000000 0.04546765776588 15.999 > 73 74 O 0.72460332522823 0.58333333333333 0.04546765776588 15.999 > 73 75 O 0.72460332522823 0.91666666666667 0.04546765776588 15.999 > 73 76 O 0.74696664554109 0.08333333333333 0.22923319982509 15.999 > 76 77 O 0.74696664554109 0.41666666666667 0.22923319982509 15.999 > 76 78 O 0.74696664554109 0.75000000000000 0.22923319982509 15.999 > 76 79 O 0.73807968634864 0.08333333333333 0.88501501568792 15.999 > 79 80 O 0.73807968634864 0.41666666666667 0.88501501568792 15.999 > 79 81 O 0.73807968634864 0.75000000000000 0.88501501568792 15.999 > 79 82 O 0.76192031365136 0.25000000000000 0.38501501568792 15.999 > 82 83 O 0.76192031365136 0.58333333333333 0.38501501568792 15.999 > 82 84 O 0.76192031365136 0.91666666666667 0.38501501568792 15.999 > 82 85 O 0.75303335445891 0.25000000000000 0.72923319982509 15.999 > 85 86 O 0.75303335445891 0.58333333333333 0.72923319982509 15.999 > 85 87 O 0.75303335445891 0.91666666666667 0.72923319982509 15.999 > 85 88 O 0.77539667477177 0.08333333333333 0.54546765776588 15.999 > 88 89 O 0.77539667477177 0.41666666666667 0.54546765776588 15.999 > 88 90 O 0.77539667477177 0.75000000000000 0.54546765776588 15.999 > 88 91 O 0.99866922325700 0.08333333333333 0.34624630171924 15.999 > 91 92 O 0.99866922325700 0.41666666666667 0.34624630171924 15.999 > 91 93 O 0.99866922325700 0.75000000000000 0.34624630171924 15.999 > 91 94 O 0.99399081908352 0.25000000000000 0.10506062663269 15.999 > 94 95 O 0.99399081908352 0.58333333333333 0.10506062663269 15.999 > 94 96 O 0.99399081908352 0.91666666666667 0.10506062663269 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4103523 0.0000000 0.0000000 0.0000000 4.6071143 0.0000000 0.0000000 0.0000000 4.5905622 -------------------------- Born effective charges -------------------------- 1 Er 4.2176396 0.0000000 -0.1063383 0.0000000 3.8053494 0.0000000 0.3802095 0.0000000 4.0739773 2 Er 3.8137153 0.0000000 -0.2994384 0.0000000 3.8390430 0.0000000 0.0729723 0.0000000 3.6332082 3 Er 3.8137153 0.0000000 0.2994384 0.0000000 3.8390430 0.0000000 -0.0729723 0.0000000 3.6332082 4 Er 4.2176396 0.0000000 0.1063383 0.0000000 3.8053494 0.0000000 -0.3802095 0.0000000 4.0739773 5 Er 4.2176396 0.0000000 0.1063383 0.0000000 3.8053494 0.0000000 -0.3802095 0.0000000 4.0739773 6 Er 3.8137153 0.0000000 0.2994384 0.0000000 3.8390430 0.0000000 -0.0729723 0.0000000 3.6332082 7 Er 3.8137153 0.0000000 -0.2994384 0.0000000 3.8390430 0.0000000 0.0729723 0.0000000 3.6332082 8 Er 4.2176396 0.0000000 -0.1063383 0.0000000 3.8053494 0.0000000 0.3802095 0.0000000 4.0739773 9 Ti 3.5650925 0.0000000 -0.1087923 0.0000000 5.1278852 0.0000000 -0.4467874 0.0000000 4.6477953 10 Ti 3.5650925 0.0000000 0.1087923 0.0000000 5.1278852 0.0000000 0.4467874 0.0000000 4.6477953 11 Ti 3.5650925 0.0000000 0.1087923 0.0000000 5.1278852 0.0000000 0.4467874 0.0000000 4.6477953 12 Ti 3.5650925 0.0000000 -0.1087923 0.0000000 5.1278852 0.0000000 -0.4467874 0.0000000 4.6477953 13 O -2.4944909 0.0000000 -0.0602697 0.0000000 -2.3511335 0.0000000 -0.4197467 0.0000000 -2.4935230 14 O -3.4886872 0.0000000 0.8078196 0.0000000 -1.7937953 0.0000000 0.7691329 0.0000000 -1.3061465 15 O -1.8769036 0.0000000 0.1003947 0.0000000 -2.2578956 0.0000000 0.3567451 0.0000000 -3.6402458 16 O -2.1675334 0.0000000 0.3382655 0.0000000 -2.3789563 0.0000000 0.3999850 0.0000000 -3.1043335 17 O -1.5688322 0.0000000 -0.0905520 0.0000000 -3.9904969 0.0000000 0.0913513 0.0000000 -1.8107320 18 O -1.5688322 0.0000000 0.0905520 0.0000000 -3.9904969 0.0000000 -0.0913513 0.0000000 -1.8107320 19 O -2.1675334 0.0000000 -0.3382655 0.0000000 -2.3789563 0.0000000 -0.3999850 0.0000000 -3.1043335 20 O -1.8769036 0.0000000 -0.1003947 0.0000000 -2.2578956 0.0000000 -0.3567451 0.0000000 -3.6402458 21 O -3.4886872 0.0000000 -0.8078196 0.0000000 -1.7937953 0.0000000 -0.7691329 0.0000000 -1.3061465 22 O -2.4944909 0.0000000 0.0602697 0.0000000 -2.3511335 0.0000000 0.4197467 0.0000000 -2.4935230 23 O -2.4944909 0.0000000 0.0602697 0.0000000 -2.3511335 0.0000000 0.4197467 0.0000000 -2.4935230 24 O -3.4886872 0.0000000 -0.8078196 0.0000000 -1.7937953 0.0000000 -0.7691329 0.0000000 -1.3061465 25 O -1.8769036 0.0000000 -0.1003947 0.0000000 -2.2578956 0.0000000 -0.3567451 0.0000000 -3.6402458 26 O -2.1675334 0.0000000 -0.3382655 0.0000000 -2.3789563 0.0000000 -0.3999850 0.0000000 -3.1043335 27 O -1.5688322 0.0000000 0.0905520 0.0000000 -3.9904969 0.0000000 -0.0913513 0.0000000 -1.8107320 28 O -1.5688322 0.0000000 -0.0905520 0.0000000 -3.9904969 0.0000000 0.0913513 0.0000000 -1.8107320 29 O -2.1675334 0.0000000 0.3382655 0.0000000 -2.3789563 0.0000000 0.3999850 0.0000000 -3.1043335 30 O -1.8769036 0.0000000 0.1003947 0.0000000 -2.2578956 0.0000000 0.3567451 0.0000000 -3.6402458 31 O -3.4886872 0.0000000 0.8078196 0.0000000 -1.7937953 0.0000000 0.7691329 0.0000000 -1.3061465 32 O -2.4944909 0.0000000 -0.0602697 0.0000000 -2.3511335 0.0000000 -0.4197467 0.0000000 -2.4935230 ---------------------------------------------------------------------------- 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[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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[ 40, 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[ 43, 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[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:02:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:02:42]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.201082160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.624952100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.126874450000001 Atomic positions (fractional): 1 Er 0.11835484525135 0.75000000000000 0.27501155024531 167.259 2 Er 0.13550249352870 0.75000000000000 0.94381669583604 167.259 3 Er 0.36449750647130 0.25000000000000 0.44381669583604 167.259 4 Er 0.38164515474865 0.25000000000000 0.77501155024531 167.259 5 Er 0.61835484525135 0.75000000000000 0.22498844975469 167.259 6 Er 0.63550249352870 0.75000000000000 0.55618330416396 167.259 7 Er 0.86449750647130 0.25000000000000 0.05618330416396 167.259 8 Er 0.88164515474865 0.25000000000000 0.72498844975469 167.259 9 Ti 0.17117508809992 0.75000000000000 0.61768557694480 47.867 10 Ti 0.32882491190008 0.25000000000000 0.11768557694480 47.867 11 Ti 0.67117508809992 0.75000000000000 0.88231442305520 47.867 12 Ti 0.82882491190008 0.25000000000000 0.38231442305520 47.867 13 O 0.00600918091648 0.25000000000000 0.89493937336731 15.999 14 O 0.00133077674300 0.75000000000000 0.65375369828076 15.999 15 O 0.22460332522823 0.75000000000000 0.45453234223412 15.999 16 O 0.24696664554109 0.25000000000000 0.27076680017491 15.999 17 O 0.23807968634864 0.25000000000000 0.61498498431208 15.999 18 O 0.26192031365136 0.75000000000000 0.11498498431208 15.999 19 O 0.25303335445891 0.75000000000000 0.77076680017491 15.999 20 O 0.27539667477177 0.25000000000000 0.95453234223412 15.999 21 O 0.49866922325700 0.25000000000000 0.15375369828076 15.999 22 O 0.49399081908352 0.75000000000000 0.39493937336731 15.999 23 O 0.50600918091648 0.25000000000000 0.60506062663269 15.999 24 O 0.50133077674300 0.75000000000000 0.84624630171924 15.999 25 O 0.72460332522823 0.75000000000000 0.04546765776588 15.999 26 O 0.74696664554109 0.25000000000000 0.22923319982509 15.999 27 O 0.73807968634864 0.25000000000000 0.88501501568792 15.999 28 O 0.76192031365136 0.75000000000000 0.38501501568792 15.999 29 O 0.75303335445891 0.75000000000000 0.72923319982509 15.999 30 O 0.77539667477177 0.25000000000000 0.54546765776588 15.999 31 O 0.99866922325700 0.25000000000000 0.34624630171924 15.999 32 O 0.99399081908352 0.75000000000000 0.10506062663269 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.201082160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.874856299999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.126874450000001 Atomic positions (fractional): 1 Er 0.11835484525135 0.25000000000000 0.27501155024531 167.259 > 1 2 Er 0.11835484525135 0.58333333333333 0.27501155024531 167.259 > 1 3 Er 0.11835484525135 0.91666666666667 0.27501155024531 167.259 > 1 4 Er 0.13550249352870 0.25000000000000 0.94381669583604 167.259 > 4 5 Er 0.13550249352870 0.58333333333333 0.94381669583604 167.259 > 4 6 Er 0.13550249352870 0.91666666666667 0.94381669583604 167.259 > 4 7 Er 0.36449750647130 0.08333333333333 0.44381669583604 167.259 > 7 8 Er 0.36449750647130 0.41666666666667 0.44381669583604 167.259 > 7 9 Er 0.36449750647130 0.75000000000000 0.44381669583604 167.259 > 7 10 Er 0.38164515474865 0.08333333333333 0.77501155024531 167.259 > 10 11 Er 0.38164515474865 0.41666666666667 0.77501155024531 167.259 > 10 12 Er 0.38164515474865 0.75000000000000 0.77501155024531 167.259 > 10 13 Er 0.61835484525135 0.25000000000000 0.22498844975469 167.259 > 13 14 Er 0.61835484525135 0.58333333333333 0.22498844975469 167.259 > 13 15 Er 0.61835484525135 0.91666666666667 0.22498844975469 167.259 > 13 16 Er 0.63550249352870 0.25000000000000 0.55618330416396 167.259 > 16 17 Er 0.63550249352870 0.58333333333333 0.55618330416396 167.259 > 16 18 Er 0.63550249352870 0.91666666666667 0.55618330416396 167.259 > 16 19 Er 0.86449750647130 0.08333333333333 0.05618330416396 167.259 > 19 20 Er 0.86449750647130 0.41666666666667 0.05618330416396 167.259 > 19 21 Er 0.86449750647130 0.75000000000000 0.05618330416396 167.259 > 19 22 Er 0.88164515474865 0.08333333333333 0.72498844975469 167.259 > 22 23 Er 0.88164515474865 0.41666666666667 0.72498844975469 167.259 > 22 24 Er 0.88164515474865 0.75000000000000 0.72498844975469 167.259 > 22 25 Ti 0.17117508809992 0.25000000000000 0.61768557694480 47.867 > 25 26 Ti 0.17117508809992 0.58333333333333 0.61768557694480 47.867 > 25 27 Ti 0.17117508809992 0.91666666666667 0.61768557694480 47.867 > 25 28 Ti 0.32882491190008 0.08333333333333 0.11768557694480 47.867 > 28 29 Ti 0.32882491190008 0.41666666666667 0.11768557694480 47.867 > 28 30 Ti 0.32882491190008 0.75000000000000 0.11768557694480 47.867 > 28 31 Ti 0.67117508809992 0.25000000000000 0.88231442305520 47.867 > 31 32 Ti 0.67117508809992 0.58333333333333 0.88231442305520 47.867 > 31 33 Ti 0.67117508809992 0.91666666666667 0.88231442305520 47.867 > 31 34 Ti 0.82882491190008 0.08333333333333 0.38231442305520 47.867 > 34 35 Ti 0.82882491190008 0.41666666666667 0.38231442305520 47.867 > 34 36 Ti 0.82882491190008 0.75000000000000 0.38231442305520 47.867 > 34 37 O 0.00600918091648 0.08333333333333 0.89493937336731 15.999 > 37 38 O 0.00600918091648 0.41666666666667 0.89493937336731 15.999 > 37 39 O 0.00600918091648 0.75000000000000 0.89493937336731 15.999 > 37 40 O 0.00133077674300 0.25000000000000 0.65375369828076 15.999 > 40 41 O 0.00133077674300 0.58333333333333 0.65375369828076 15.999 > 40 42 O 0.00133077674300 0.91666666666667 0.65375369828076 15.999 > 40 43 O 0.22460332522823 0.25000000000000 0.45453234223412 15.999 > 43 44 O 0.22460332522823 0.58333333333333 0.45453234223412 15.999 > 43 45 O 0.22460332522823 0.91666666666667 0.45453234223412 15.999 > 43 46 O 0.24696664554109 0.08333333333333 0.27076680017491 15.999 > 46 47 O 0.24696664554109 0.41666666666667 0.27076680017491 15.999 > 46 48 O 0.24696664554109 0.75000000000000 0.27076680017491 15.999 > 46 49 O 0.23807968634864 0.08333333333333 0.61498498431208 15.999 > 49 50 O 0.23807968634864 0.41666666666667 0.61498498431208 15.999 > 49 51 O 0.23807968634864 0.75000000000000 0.61498498431208 15.999 > 49 52 O 0.26192031365136 0.25000000000000 0.11498498431208 15.999 > 52 53 O 0.26192031365136 0.58333333333333 0.11498498431208 15.999 > 52 54 O 0.26192031365136 0.91666666666667 0.11498498431208 15.999 > 52 55 O 0.25303335445891 0.25000000000000 0.77076680017491 15.999 > 55 56 O 0.25303335445891 0.58333333333333 0.77076680017491 15.999 > 55 57 O 0.25303335445891 0.91666666666667 0.77076680017491 15.999 > 55 58 O 0.27539667477177 0.08333333333333 0.95453234223412 15.999 > 58 59 O 0.27539667477177 0.41666666666667 0.95453234223412 15.999 > 58 60 O 0.27539667477177 0.75000000000000 0.95453234223412 15.999 > 58 61 O 0.49866922325700 0.08333333333333 0.15375369828076 15.999 > 61 62 O 0.49866922325700 0.41666666666667 0.15375369828076 15.999 > 61 63 O 0.49866922325700 0.75000000000000 0.15375369828076 15.999 > 61 64 O 0.49399081908352 0.25000000000000 0.39493937336731 15.999 > 64 65 O 0.49399081908352 0.58333333333333 0.39493937336731 15.999 > 64 66 O 0.49399081908352 0.91666666666667 0.39493937336731 15.999 > 64 67 O 0.50600918091648 0.08333333333333 0.60506062663269 15.999 > 67 68 O 0.50600918091648 0.41666666666667 0.60506062663269 15.999 > 67 69 O 0.50600918091648 0.75000000000000 0.60506062663269 15.999 > 67 70 O 0.50133077674300 0.25000000000000 0.84624630171924 15.999 > 70 71 O 0.50133077674300 0.58333333333333 0.84624630171924 15.999 > 70 72 O 0.50133077674300 0.91666666666667 0.84624630171924 15.999 > 70 73 O 0.72460332522823 0.25000000000000 0.04546765776588 15.999 > 73 74 O 0.72460332522823 0.58333333333333 0.04546765776588 15.999 > 73 75 O 0.72460332522823 0.91666666666667 0.04546765776588 15.999 > 73 76 O 0.74696664554109 0.08333333333333 0.22923319982509 15.999 > 76 77 O 0.74696664554109 0.41666666666667 0.22923319982509 15.999 > 76 78 O 0.74696664554109 0.75000000000000 0.22923319982509 15.999 > 76 79 O 0.73807968634864 0.08333333333333 0.88501501568792 15.999 > 79 80 O 0.73807968634864 0.41666666666667 0.88501501568792 15.999 > 79 81 O 0.73807968634864 0.75000000000000 0.88501501568792 15.999 > 79 82 O 0.76192031365136 0.25000000000000 0.38501501568792 15.999 > 82 83 O 0.76192031365136 0.58333333333333 0.38501501568792 15.999 > 82 84 O 0.76192031365136 0.91666666666667 0.38501501568792 15.999 > 82 85 O 0.75303335445891 0.25000000000000 0.72923319982509 15.999 > 85 86 O 0.75303335445891 0.58333333333333 0.72923319982509 15.999 > 85 87 O 0.75303335445891 0.91666666666667 0.72923319982509 15.999 > 85 88 O 0.77539667477177 0.08333333333333 0.54546765776588 15.999 > 88 89 O 0.77539667477177 0.41666666666667 0.54546765776588 15.999 > 88 90 O 0.77539667477177 0.75000000000000 0.54546765776588 15.999 > 88 91 O 0.99866922325700 0.08333333333333 0.34624630171924 15.999 > 91 92 O 0.99866922325700 0.41666666666667 0.34624630171924 15.999 > 91 93 O 0.99866922325700 0.75000000000000 0.34624630171924 15.999 > 91 94 O 0.99399081908352 0.25000000000000 0.10506062663269 15.999 > 94 95 O 0.99399081908352 0.58333333333333 0.10506062663269 15.999 > 94 96 O 0.99399081908352 0.91666666666667 0.10506062663269 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4103523 0.0000000 0.0000000 0.0000000 4.6071143 0.0000000 0.0000000 0.0000000 4.5905622 -------------------------- Born effective charges -------------------------- 1 Er 4.2176396 0.0000000 -0.1063383 0.0000000 3.8053494 0.0000000 0.3802095 0.0000000 4.0739773 2 Er 3.8137153 0.0000000 -0.2994384 0.0000000 3.8390430 0.0000000 0.0729723 0.0000000 3.6332082 3 Er 3.8137153 0.0000000 0.2994384 0.0000000 3.8390430 0.0000000 -0.0729723 0.0000000 3.6332082 4 Er 4.2176396 0.0000000 0.1063383 0.0000000 3.8053494 0.0000000 -0.3802095 0.0000000 4.0739773 5 Er 4.2176396 0.0000000 0.1063383 0.0000000 3.8053494 0.0000000 -0.3802095 0.0000000 4.0739773 6 Er 3.8137153 0.0000000 0.2994384 0.0000000 3.8390430 0.0000000 -0.0729723 0.0000000 3.6332082 7 Er 3.8137153 0.0000000 -0.2994384 0.0000000 3.8390430 0.0000000 0.0729723 0.0000000 3.6332082 8 Er 4.2176396 0.0000000 -0.1063383 0.0000000 3.8053494 0.0000000 0.3802095 0.0000000 4.0739773 9 Ti 3.5650925 0.0000000 -0.1087923 0.0000000 5.1278852 0.0000000 -0.4467874 0.0000000 4.6477953 10 Ti 3.5650925 0.0000000 0.1087923 0.0000000 5.1278852 0.0000000 0.4467874 0.0000000 4.6477953 11 Ti 3.5650925 0.0000000 0.1087923 0.0000000 5.1278852 0.0000000 0.4467874 0.0000000 4.6477953 12 Ti 3.5650925 0.0000000 -0.1087923 0.0000000 5.1278852 0.0000000 -0.4467874 0.0000000 4.6477953 13 O -2.4944909 0.0000000 -0.0602697 0.0000000 -2.3511335 0.0000000 -0.4197467 0.0000000 -2.4935230 14 O -3.4886872 0.0000000 0.8078196 0.0000000 -1.7937953 0.0000000 0.7691329 0.0000000 -1.3061465 15 O -1.8769036 0.0000000 0.1003947 0.0000000 -2.2578956 0.0000000 0.3567451 0.0000000 -3.6402458 16 O -2.1675334 0.0000000 0.3382655 0.0000000 -2.3789563 0.0000000 0.3999850 0.0000000 -3.1043335 17 O -1.5688322 0.0000000 -0.0905520 0.0000000 -3.9904969 0.0000000 0.0913513 0.0000000 -1.8107320 18 O -1.5688322 0.0000000 0.0905520 0.0000000 -3.9904969 0.0000000 -0.0913513 0.0000000 -1.8107320 19 O -2.1675334 0.0000000 -0.3382655 0.0000000 -2.3789563 0.0000000 -0.3999850 0.0000000 -3.1043335 20 O -1.8769036 0.0000000 -0.1003947 0.0000000 -2.2578956 0.0000000 -0.3567451 0.0000000 -3.6402458 21 O -3.4886872 0.0000000 -0.8078196 0.0000000 -1.7937953 0.0000000 -0.7691329 0.0000000 -1.3061465 22 O -2.4944909 0.0000000 0.0602697 0.0000000 -2.3511335 0.0000000 0.4197467 0.0000000 -2.4935230 23 O -2.4944909 0.0000000 0.0602697 0.0000000 -2.3511335 0.0000000 0.4197467 0.0000000 -2.4935230 24 O -3.4886872 0.0000000 -0.8078196 0.0000000 -1.7937953 0.0000000 -0.7691329 0.0000000 -1.3061465 25 O -1.8769036 0.0000000 -0.1003947 0.0000000 -2.2578956 0.0000000 -0.3567451 0.0000000 -3.6402458 26 O -2.1675334 0.0000000 -0.3382655 0.0000000 -2.3789563 0.0000000 -0.3999850 0.0000000 -3.1043335 27 O -1.5688322 0.0000000 0.0905520 0.0000000 -3.9904969 0.0000000 -0.0913513 0.0000000 -1.8107320 28 O -1.5688322 0.0000000 -0.0905520 0.0000000 -3.9904969 0.0000000 0.0913513 0.0000000 -1.8107320 29 O -2.1675334 0.0000000 0.3382655 0.0000000 -2.3789563 0.0000000 0.3999850 0.0000000 -3.1043335 30 O -1.8769036 0.0000000 0.1003947 0.0000000 -2.2578956 0.0000000 0.3567451 0.0000000 -3.6402458 31 O -3.4886872 0.0000000 0.8078196 0.0000000 -1.7937953 0.0000000 0.7691329 0.0000000 -1.3061465 32 O -2.4944909 0.0000000 -0.0602697 0.0000000 -2.3511335 0.0000000 -0.4197467 0.0000000 -2.4935230 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 279, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.947 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 9.489 ( 0.000 0.000 0.000) 0.000 9.497 ( 0.000 0.000 0.000) 0.000 9.912 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.204 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 0.000) 0.000 10.763 ( 0.000 0.000 0.000) 0.000 11.006 ( 0.000 0.000 0.000) 0.000 11.424 ( 0.000 0.000 0.000) 0.000 11.530 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 11.977 ( 0.000 0.000 0.000) 0.000 12.068 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 13.027 ( 0.000 0.000 0.000) 0.000 13.149 ( 0.000 0.000 0.000) 0.000 13.452 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 13.563 ( 0.000 0.000 0.000) 0.000 14.173 ( 0.000 0.000 0.000) 0.000 14.210 ( 0.000 0.000 0.000) 0.000 14.227 ( 0.000 0.000 0.000) 0.000 14.261 ( 0.000 0.000 0.000) 0.000 14.690 ( 0.000 0.000 0.000) 0.000 14.883 ( 0.000 0.000 0.000) 0.000 15.303 ( 0.000 0.000 0.000) 0.000 15.499 ( 0.000 0.000 0.000) 0.000 15.527 ( 0.000 0.000 0.000) 0.000 16.500 ( 0.000 0.000 0.000) 0.000 17.372 ( 0.000 0.000 0.000) 0.000 17.388 ( 0.000 0.000 0.000) 0.000 18.894 ( 0.000 0.000 0.000) 0.000 18.899 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 0.000 0.000) 0.000 19.030 ( 0.000 0.000 0.000) 0.000 19.037 ( 0.000 0.000 0.000) 0.000 19.961 ( 0.000 0.000 0.000) 0.000 20.342 ( 0.000 0.000 0.000) 0.000 20.971 ( 0.000 0.000 0.000) 0.000 21.413 ( 0.000 0.000 0.000) 0.000 21.456 ( 0.000 0.000 0.000) 0.000 23.883 ( 0.000 0.000 0.000) 0.000 24.703 ( 0.000 0.000 0.000) 0.000 24.959 ( 0.000 0.000 0.000) 0.000 25.673 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.538 ( 27.847 0.000 0.000) 27.847 0.596 ( 30.070 0.000 0.000) 30.070 0.988 ( 50.499 0.000 0.000) 50.499 2.084 ( -16.640 0.000 0.000) 16.640 2.135 ( -18.827 0.000 0.000) 18.827 2.321 ( 8.933 0.000 0.000) 8.933 2.411 ( -3.409 0.000 0.000) 3.409 2.553 ( -2.043 0.000 0.000) 2.043 2.583 ( 6.127 0.000 0.000) 6.127 2.621 ( 3.267 0.000 0.000) 3.267 2.891 ( -13.408 0.000 0.000) 13.408 2.943 ( -3.830 0.000 0.000) 3.830 2.991 ( -7.350 0.000 0.000) 7.350 3.250 ( 5.111 0.000 0.000) 5.111 3.269 ( 7.624 0.000 0.000) 7.624 3.311 ( 2.528 0.000 0.000) 2.528 3.497 ( -7.219 0.000 0.000) 7.219 3.642 ( 13.948 0.000 0.000) 13.948 3.790 ( 4.826 0.000 0.000) 4.826 4.096 ( -13.319 0.000 0.000) 13.319 4.229 ( 3.906 0.000 0.000) 3.906 4.401 ( -10.011 0.000 0.000) 10.011 4.928 ( 2.852 0.000 0.000) 2.852 4.957 ( 3.572 0.000 0.000) 3.572 5.017 ( 5.372 0.000 0.000) 5.372 5.123 ( -4.089 0.000 0.000) 4.089 5.145 ( -2.294 0.000 0.000) 2.294 5.239 ( -3.013 0.000 0.000) 3.013 5.783 ( 6.414 0.000 0.000) 6.414 6.087 ( 5.158 0.000 0.000) 5.158 6.169 ( -4.126 0.000 0.000) 4.126 6.463 ( -6.643 0.000 0.000) 6.643 7.051 ( 9.881 0.000 0.000) 9.881 7.264 ( 1.367 0.000 0.000) 1.367 7.377 ( 3.872 0.000 0.000) 3.872 7.633 ( 1.315 0.000 0.000) 1.315 7.635 ( 11.909 0.000 0.000) 11.909 7.852 ( -14.496 0.000 0.000) 14.496 8.055 ( 1.270 0.000 0.000) 1.270 8.156 ( -1.144 0.000 0.000) 1.144 8.212 ( 4.114 0.000 0.000) 4.114 8.214 ( -3.323 0.000 0.000) 3.323 8.562 ( 15.595 0.000 0.000) 15.595 8.588 ( -8.820 0.000 0.000) 8.820 8.795 ( 5.830 0.000 0.000) 5.830 8.957 ( 2.711 0.000 0.000) 2.711 9.126 ( 1.825 0.000 0.000) 1.825 9.303 ( -2.755 0.000 0.000) 2.755 9.465 ( -2.948 0.000 0.000) 2.948 9.549 ( 4.168 0.000 0.000) 4.168 9.734 ( -13.146 0.000 0.000) 13.146 9.873 ( -16.885 0.000 0.000) 16.885 9.990 ( -1.313 0.000 0.000) 1.313 10.403 ( 2.119 0.000 0.000) 2.119 10.434 ( 11.941 0.000 0.000) 11.941 10.788 ( -6.479 0.000 0.000) 6.479 10.963 ( -4.256 0.000 0.000) 4.256 11.456 ( 3.044 0.000 0.000) 3.044 11.469 ( -15.011 0.000 0.000) 15.011 11.598 ( 5.614 0.000 0.000) 5.614 11.665 ( -2.045 0.000 0.000) 2.045 11.853 ( 0.638 0.000 0.000) 0.638 12.045 ( 1.943 0.000 0.000) 1.943 12.092 ( 1.285 0.000 0.000) 1.285 13.039 ( 1.211 0.000 0.000) 1.211 13.138 ( -1.097 0.000 0.000) 1.097 13.268 ( -0.416 0.000 0.000) 0.416 13.397 ( -2.982 0.000 0.000) 2.982 13.577 ( 1.586 0.000 0.000) 1.586 13.596 ( 2.186 0.000 0.000) 2.186 14.176 ( 0.347 0.000 0.000) 0.347 14.206 ( -0.346 0.000 0.000) 0.346 14.313 ( 7.870 0.000 0.000) 7.870 14.377 ( 8.770 0.000 0.000) 8.770 14.772 ( 9.083 0.000 0.000) 9.083 15.296 ( -1.389 0.000 0.000) 1.389 15.313 ( 0.731 0.000 0.000) 0.731 15.478 ( -2.225 0.000 0.000) 2.225 15.544 ( 2.064 0.000 0.000) 2.064 16.354 ( -16.040 0.000 0.000) 16.040 17.382 ( 0.617 0.000 0.000) 0.617 17.384 ( -0.340 0.000 0.000) 0.340 18.894 ( 0.045 0.000 0.000) 0.045 18.898 ( -0.055 0.000 0.000) 0.055 19.031 ( 0.073 0.000 0.000) 0.073 19.036 ( -0.060 0.000 0.000) 0.060 20.005 ( 4.354 0.000 0.000) 4.354 20.271 ( 0.239 0.000 0.000) 0.239 20.373 ( 3.680 0.000 0.000) 3.680 20.940 ( -3.890 0.000 0.000) 3.890 21.338 ( -9.861 0.000 0.000) 9.861 21.483 ( -11.393 0.000 0.000) 11.393 24.050 ( 15.015 0.000 0.000) 15.015 24.881 ( -7.437 0.000 0.000) 7.437 25.778 ( 9.456 0.000 0.000) 9.456 26.284 ( -3.826 0.000 0.000) 3.826 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.089 ( 27.905 0.000 0.000) 27.905 1.172 ( 28.443 0.000 0.000) 28.443 1.587 ( -17.937 0.000 0.000) 17.937 1.700 ( -25.037 0.000 0.000) 25.037 2.022 ( 35.459 0.000 0.000) 35.459 2.369 ( -1.972 0.000 0.000) 1.972 2.466 ( 4.200 0.000 0.000) 4.200 2.507 ( -2.261 0.000 0.000) 2.261 2.693 ( -1.627 0.000 0.000) 1.627 2.696 ( 5.468 0.000 0.000) 5.468 2.706 ( 4.722 0.000 0.000) 4.722 2.847 ( -5.197 0.000 0.000) 5.197 2.852 ( -6.234 0.000 0.000) 6.234 3.107 ( -33.087 0.000 0.000) 33.087 3.327 ( 2.556 0.000 0.000) 2.556 3.346 ( 0.596 0.000 0.000) 0.596 3.442 ( 9.238 0.000 0.000) 9.238 3.634 ( -11.364 0.000 0.000) 11.364 3.879 ( 9.727 0.000 0.000) 9.727 3.994 ( -1.379 0.000 0.000) 1.379 4.356 ( 6.507 0.000 0.000) 6.507 4.383 ( 2.782 0.000 0.000) 2.782 5.000 ( 4.214 0.000 0.000) 4.214 5.017 ( -3.036 0.000 0.000) 3.036 5.019 ( -4.423 0.000 0.000) 4.423 5.050 ( 5.480 0.000 0.000) 5.480 5.082 ( -3.896 0.000 0.000) 3.896 5.157 ( -5.116 0.000 0.000) 5.116 5.928 ( 7.338 0.000 0.000) 7.338 6.061 ( -6.323 0.000 0.000) 6.323 6.207 ( 6.512 0.000 0.000) 6.512 6.331 ( -6.334 0.000 0.000) 6.334 7.279 ( 10.939 0.000 0.000) 10.939 7.326 ( 5.966 0.000 0.000) 5.966 7.386 ( -3.025 0.000 0.000) 3.025 7.553 ( -12.980 0.000 0.000) 12.980 7.823 ( 14.684 0.000 0.000) 14.684 7.888 ( 12.648 0.000 0.000) 12.648 8.087 ( 1.942 0.000 0.000) 1.942 8.100 ( -8.384 0.000 0.000) 8.384 8.126 ( -1.833 0.000 0.000) 1.833 8.149 ( -14.352 0.000 0.000) 14.352 8.562 ( 10.230 0.000 0.000) 10.230 8.741 ( -1.031 0.000 0.000) 1.031 8.935 ( 7.155 0.000 0.000) 7.155 9.005 ( 0.752 0.000 0.000) 0.752 9.172 ( 2.600 0.000 0.000) 2.600 9.232 ( -3.871 0.000 0.000) 3.871 9.415 ( -0.666 0.000 0.000) 0.666 9.498 ( -9.356 0.000 0.000) 9.356 9.556 ( -3.353 0.000 0.000) 3.353 9.564 ( -8.906 0.000 0.000) 8.906 10.076 ( 10.472 0.000 0.000) 10.472 10.320 ( -11.655 0.000 0.000) 11.655 10.662 ( 10.709 0.000 0.000) 10.709 10.830 ( 12.244 0.000 0.000) 12.244 10.844 ( -7.783 0.000 0.000) 7.783 11.144 ( -17.467 0.000 0.000) 17.467 11.530 ( 4.177 0.000 0.000) 4.177 11.609 ( -3.625 0.000 0.000) 3.625 11.714 ( 5.952 0.000 0.000) 5.952 11.823 ( -4.399 0.000 0.000) 4.399 12.049 ( 0.702 0.000 0.000) 0.702 12.084 ( -1.929 0.000 0.000) 1.929 13.071 ( 1.898 0.000 0.000) 1.898 13.109 ( -1.828 0.000 0.000) 1.828 13.298 ( 3.087 0.000 0.000) 3.087 13.356 ( -2.200 0.000 0.000) 2.200 13.608 ( 1.311 0.000 0.000) 1.311 13.620 ( 0.211 0.000 0.000) 0.211 14.186 ( 0.561 0.000 0.000) 0.561 14.197 ( -0.560 0.000 0.000) 0.560 14.470 ( 6.235 0.000 0.000) 6.235 14.505 ( 2.983 0.000 0.000) 2.983 15.030 ( 14.600 0.000 0.000) 14.600 15.234 ( -5.757 0.000 0.000) 5.757 15.343 ( 2.584 0.000 0.000) 2.584 15.413 ( -4.068 0.000 0.000) 4.068 15.644 ( 9.786 0.000 0.000) 9.786 15.964 ( -21.135 0.000 0.000) 21.135 17.380 ( 0.082 0.000 0.000) 0.082 17.385 ( -0.232 0.000 0.000) 0.232 18.895 ( 0.078 0.000 0.000) 0.078 18.897 ( -0.084 0.000 0.000) 0.084 19.033 ( 0.111 0.000 0.000) 0.111 19.035 ( -0.103 0.000 0.000) 0.103 20.118 ( 6.617 0.000 0.000) 6.617 20.234 ( -4.335 0.000 0.000) 4.335 20.517 ( 11.112 0.000 0.000) 11.112 20.772 ( -12.969 0.000 0.000) 12.969 21.203 ( -1.595 0.000 0.000) 1.595 21.273 ( -8.127 0.000 0.000) 8.127 24.381 ( 17.090 0.000 0.000) 17.090 24.680 ( -12.949 0.000 0.000) 12.949 25.987 ( 10.706 0.000 0.000) 10.706 26.171 ( -7.716 0.000 0.000) 7.716 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.000 31.162 0.000) 31.162 0.728 ( 0.000 36.005 0.000) 36.005 1.118 ( 0.000 54.692 0.000) 54.692 2.281 ( 0.000 7.729 0.000) 7.729 2.351 ( 0.000 6.838 0.000) 6.838 2.359 ( 0.000 -2.605 0.000) 2.605 2.550 ( 0.000 11.612 0.000) 11.612 2.584 ( 0.000 6.586 0.000) 6.586 2.619 ( 0.000 2.064 0.000) 2.064 2.619 ( 0.000 6.955 0.000) 6.955 3.062 ( 0.000 3.117 0.000) 3.117 3.077 ( 0.000 8.653 0.000) 8.653 3.091 ( 0.000 -1.598 0.000) 1.598 3.205 ( 0.000 7.970 0.000) 7.970 3.229 ( 0.000 -4.804 0.000) 4.804 3.384 ( 0.000 10.247 0.000) 10.247 3.419 ( 0.000 4.292 0.000) 4.292 3.589 ( 0.000 4.275 0.000) 4.275 3.749 ( 0.000 6.164 0.000) 6.164 4.094 ( 0.000 -8.193 0.000) 8.193 4.217 ( 0.000 4.197 0.000) 4.197 4.610 ( 0.000 -3.431 0.000) 3.431 4.807 ( 0.000 1.341 0.000) 1.341 5.145 ( 0.000 -1.192 0.000) 1.192 5.205 ( 0.000 25.268 0.000) 25.268 5.343 ( 0.000 30.047 0.000) 30.047 5.415 ( 0.000 23.417 0.000) 23.417 5.564 ( 0.000 27.353 0.000) 27.353 5.760 ( 0.000 4.462 0.000) 4.462 5.916 ( 0.000 0.206 0.000) 0.206 6.243 ( 0.000 3.863 0.000) 3.863 6.519 ( 0.000 -1.317 0.000) 1.317 6.948 ( 0.000 0.239 0.000) 0.239 7.116 ( 0.000 -0.586 0.000) 0.586 7.314 ( 0.000 5.591 0.000) 5.591 7.326 ( 0.000 -0.169 0.000) 0.169 7.559 ( 0.000 6.632 0.000) 6.632 7.669 ( 0.000 3.834 0.000) 3.834 8.039 ( 0.000 -5.877 0.000) 5.877 8.194 ( 0.000 -2.948 0.000) 2.948 8.274 ( 0.000 -2.995 0.000) 2.995 8.325 ( 0.000 7.729 0.000) 7.729 8.738 ( 0.000 5.861 0.000) 5.861 8.848 ( 0.000 -6.884 0.000) 6.884 8.890 ( 0.000 13.385 0.000) 13.385 8.952 ( 0.000 10.158 0.000) 10.158 9.137 ( 0.000 5.127 0.000) 5.127 9.175 ( 0.000 6.698 0.000) 6.698 9.229 ( 0.000 -11.120 0.000) 11.120 9.391 ( 0.000 2.697 0.000) 2.697 9.820 ( 0.000 18.964 0.000) 18.964 9.911 ( 0.000 -0.191 0.000) 0.191 10.113 ( 0.000 8.007 0.000) 8.007 10.317 ( 0.000 9.889 0.000) 9.889 10.730 ( 0.000 -1.946 0.000) 1.946 10.923 ( 0.000 -5.613 0.000) 5.613 11.310 ( 0.000 -9.182 0.000) 9.182 11.516 ( 0.000 -1.575 0.000) 1.575 11.659 ( 0.000 -1.397 0.000) 1.397 11.740 ( 0.000 5.223 0.000) 5.223 11.959 ( 0.000 -2.667 0.000) 2.667 12.005 ( 0.000 13.836 0.000) 13.836 12.098 ( 0.000 3.045 0.000) 3.045 12.190 ( 0.000 -3.056 0.000) 3.056 12.765 ( 0.000 -22.306 0.000) 22.306 12.888 ( 0.000 -17.391 0.000) 17.391 13.139 ( 0.000 -29.808 0.000) 29.808 13.229 ( 0.000 -27.352 0.000) 27.352 13.592 ( 0.000 6.769 0.000) 6.769 13.935 ( 0.000 9.559 0.000) 9.559 14.180 ( 0.000 -4.750 0.000) 4.750 14.194 ( 0.000 -3.606 0.000) 3.606 14.422 ( 0.000 13.095 0.000) 13.095 14.745 ( 0.000 5.209 0.000) 5.209 15.106 ( 0.000 19.243 0.000) 19.243 15.295 ( 0.000 -0.900 0.000) 0.900 15.488 ( 0.000 -1.079 0.000) 1.079 15.621 ( 0.000 9.004 0.000) 9.004 15.886 ( 0.000 0.040 0.000) 0.040 16.460 ( 0.000 -3.986 0.000) 3.986 17.450 ( 0.000 7.676 0.000) 7.676 17.456 ( 0.000 6.716 0.000) 6.716 18.301 ( 0.000 -32.547 0.000) 32.547 18.499 ( 0.000 -38.673 0.000) 38.673 18.653 ( 0.000 -21.819 0.000) 21.819 19.555 ( 0.000 23.671 0.000) 23.671 20.130 ( 0.000 -19.922 0.000) 19.922 20.354 ( 0.000 21.603 0.000) 21.603 21.227 ( 0.000 23.140 0.000) 23.140 21.526 ( 0.000 11.377 0.000) 11.377 21.535 ( 0.000 10.349 0.000) 10.349 22.046 ( 0.000 5.463 0.000) 5.463 23.911 ( 0.000 2.808 0.000) 2.808 24.630 ( 0.000 -7.051 0.000) 7.051 24.881 ( 0.000 -7.715 0.000) 7.715 25.560 ( 0.000 -11.150 0.000) 11.150 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 21.201 20.605 0.000) 29.564 0.901 ( 16.104 28.640 0.000) 32.857 1.466 ( 29.880 39.831 0.000) 49.793 2.170 ( -15.886 8.126 0.000) 17.843 2.219 ( -15.619 5.584 0.000) 16.587 2.363 ( 7.379 5.290 0.000) 9.079 2.436 ( -2.969 5.102 0.000) 5.903 2.584 ( -2.552 4.420 0.000) 5.104 2.654 ( 3.575 2.418 0.000) 4.316 2.694 ( 5.061 9.118 0.000) 10.428 2.886 ( -11.191 1.664 0.000) 11.314 2.986 ( -6.810 2.963 0.000) 7.427 3.090 ( -4.771 9.425 0.000) 10.564 3.283 ( 6.549 3.543 0.000) 7.446 3.307 ( 4.210 1.279 0.000) 4.399 3.334 ( 3.838 6.693 0.000) 7.716 3.540 ( -4.725 4.850 0.000) 6.771 3.648 ( 11.851 1.135 0.000) 11.905 3.833 ( 3.599 4.303 0.000) 5.610 3.996 ( -10.127 -6.860 0.000) 12.232 4.249 ( 3.687 3.676 0.000) 5.206 4.418 ( -9.861 2.390 0.000) 10.147 4.884 ( 4.385 -1.132 0.000) 4.529 5.109 ( -3.814 -0.868 0.000) 3.911 5.230 ( 2.461 25.267 0.000) 25.387 5.406 ( 4.237 29.250 0.000) 29.555 5.408 ( -0.981 24.814 0.000) 24.833 5.548 ( -1.846 28.083 0.000) 28.143 5.804 ( 5.010 2.434 0.000) 5.570 6.041 ( 8.284 -2.160 0.000) 8.561 6.199 ( -4.502 3.573 0.000) 5.747 6.441 ( -6.775 -1.417 0.000) 6.922 7.035 ( 8.051 -1.174 0.000) 8.137 7.236 ( 5.906 -9.719 0.000) 11.373 7.310 ( 0.731 4.953 0.000) 5.007 7.454 ( 9.590 -5.819 0.000) 11.217 7.676 ( 2.588 4.335 0.000) 5.049 7.680 ( 9.942 4.975 0.000) 11.117 8.022 ( -9.375 -0.148 0.000) 9.376 8.054 ( 1.417 -5.750 0.000) 5.922 8.332 ( -0.463 -2.971 0.000) 3.007 8.348 ( 0.796 6.403 0.000) 6.452 8.647 ( -5.871 8.124 0.000) 10.024 8.851 ( 3.162 6.809 0.000) 7.507 8.950 ( 1.924 5.660 0.000) 5.978 8.952 ( 4.847 12.104 0.000) 13.039 9.165 ( -0.272 4.410 0.000) 4.419 9.235 ( 0.628 -9.168 0.000) 9.189 9.256 ( 1.360 -3.523 0.000) 3.777 9.522 ( 13.537 -2.118 0.000) 13.701 9.814 ( -11.769 0.962 0.000) 11.808 9.885 ( 3.659 20.972 0.000) 21.289 10.060 ( -2.631 6.838 0.000) 7.327 10.207 ( -6.723 11.505 0.000) 13.326 10.688 ( -1.375 -2.271 0.000) 2.655 10.884 ( -3.151 -5.056 0.000) 5.957 11.310 ( -1.814 -10.194 0.000) 10.354 11.449 ( -9.685 0.037 0.000) 9.685 11.522 ( -10.019 1.083 0.000) 10.077 11.702 ( -12.598 9.826 0.000) 15.977 11.872 ( -6.848 11.260 0.000) 13.179 11.980 ( 3.845 5.724 0.000) 6.895 12.071 ( 1.478 6.451 0.000) 6.618 12.195 ( 1.769 8.699 0.000) 8.877 12.770 ( 0.476 -22.459 0.000) 22.464 12.847 ( -3.181 -19.373 0.000) 19.632 13.196 ( 4.071 -30.085 0.000) 30.359 13.236 ( 0.603 -27.543 0.000) 27.549 13.545 ( -3.143 6.018 0.000) 6.789 13.722 ( -18.815 23.447 0.000) 30.063 14.213 ( 3.175 -3.592 0.000) 4.794 14.267 ( 3.879 -1.192 0.000) 4.058 14.471 ( 5.209 11.170 0.000) 12.325 14.703 ( -18.277 30.769 0.000) 35.788 14.849 ( 11.209 6.799 0.000) 13.110 15.329 ( 1.259 2.073 0.000) 2.425 15.469 ( -1.980 -0.817 0.000) 2.142 15.567 ( -9.939 18.895 0.000) 21.350 15.628 ( 0.978 8.274 0.000) 8.332 16.322 ( -14.895 -3.214 0.000) 15.237 17.446 ( 0.178 6.761 0.000) 6.764 17.451 ( -0.344 6.695 0.000) 6.704 18.366 ( 4.201 -36.876 0.000) 37.115 18.490 ( -0.856 -38.179 0.000) 38.188 18.673 ( 1.976 -21.461 0.000) 21.552 19.087 ( -21.605 5.135 0.000) 22.207 20.339 ( 11.739 -2.670 0.000) 12.039 20.398 ( 4.459 21.178 0.000) 21.642 21.068 ( -22.287 41.897 0.000) 47.456 21.187 ( -5.529 22.177 0.000) 22.856 21.432 ( -7.784 12.483 0.000) 14.711 21.659 ( -13.940 18.553 0.000) 23.206 23.999 ( 13.646 -3.795 0.000) 14.164 24.805 ( -7.267 -7.503 0.000) 10.446 25.592 ( 34.134 -43.032 0.000) 54.927 25.651 ( 8.024 -12.439 0.000) 14.802 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 22.504 18.709 0.000) 29.265 1.324 ( 25.520 12.351 0.000) 28.352 1.743 ( -19.722 13.844 0.000) 24.096 1.821 ( -23.277 9.652 0.000) 25.199 2.164 ( 28.980 16.047 0.000) 33.126 2.419 ( -0.505 5.967 0.000) 5.988 2.483 ( 3.926 2.520 0.000) 4.665 2.533 ( -2.230 3.699 0.000) 4.320 2.687 ( -3.071 1.145 0.000) 3.278 2.793 ( 6.104 7.602 0.000) 9.749 2.793 ( 4.608 8.368 0.000) 9.553 2.821 ( -10.502 -0.575 0.000) 10.518 2.989 ( -2.702 12.109 0.000) 12.407 3.213 ( -19.465 9.445 0.000) 21.636 3.394 ( 3.051 6.209 0.000) 6.918 3.430 ( -1.955 7.573 0.000) 7.821 3.449 ( 7.959 1.454 0.000) 8.090 3.630 ( -11.928 -0.051 0.000) 11.928 3.853 ( 8.798 -1.513 0.000) 8.927 3.960 ( -1.140 -1.526 0.000) 1.904 4.343 ( 4.013 0.965 0.000) 4.127 4.358 ( 1.181 0.067 0.000) 1.183 4.953 ( 2.707 -0.745 0.000) 2.808 5.016 ( -4.486 0.242 0.000) 4.492 5.294 ( 3.823 25.679 0.000) 25.962 5.367 ( -3.188 25.953 0.000) 26.148 5.462 ( 1.700 31.747 0.000) 31.792 5.500 ( -2.511 30.820 0.000) 30.922 5.934 ( 7.403 0.793 0.000) 7.446 6.078 ( -7.199 2.127 0.000) 7.507 6.185 ( 6.480 -2.046 0.000) 6.795 6.306 ( -6.350 -2.190 0.000) 6.717 7.207 ( 7.586 -5.149 0.000) 9.169 7.287 ( -0.740 -8.350 0.000) 8.383 7.361 ( 4.797 3.743 0.000) 6.085 7.482 ( -5.345 -1.578 0.000) 5.573 7.859 ( 14.151 3.167 0.000) 14.501 7.861 ( 6.405 -0.017 0.000) 6.405 7.919 ( -1.522 -2.980 0.000) 3.346 8.085 ( -0.425 -2.253 0.000) 2.293 8.220 ( -10.205 1.897 0.000) 10.380 8.255 ( -6.153 0.557 0.000) 6.178 8.715 ( 12.387 13.707 0.000) 18.474 8.922 ( -2.410 13.870 0.000) 14.078 8.979 ( 2.427 -3.446 0.000) 4.215 9.024 ( 0.674 2.521 0.000) 2.609 9.186 ( 2.719 3.871 0.000) 4.730 9.233 ( -1.859 -0.648 0.000) 1.968 9.272 ( 4.289 -1.646 0.000) 4.594 9.474 ( -16.649 5.285 0.000) 17.468 9.718 ( 4.314 6.753 0.000) 8.013 9.819 ( -6.815 14.593 0.000) 16.106 10.137 ( 6.087 7.630 0.000) 9.761 10.172 ( 1.559 2.782 0.000) 3.189 10.790 ( 12.433 -4.018 0.000) 13.066 10.861 ( 3.125 3.212 0.000) 4.481 11.082 ( -19.255 17.897 0.000) 26.288 11.107 ( -16.927 -5.539 0.000) 17.810 11.453 ( 1.876 -3.429 0.000) 3.909 11.518 ( -4.635 -1.718 0.000) 4.943 11.918 ( 5.061 8.273 0.000) 9.698 12.023 ( -5.040 6.381 0.000) 8.131 12.082 ( 5.836 11.137 0.000) 12.574 12.183 ( -3.487 11.821 0.000) 12.325 12.782 ( 0.687 -22.598 0.000) 22.608 12.800 ( -1.438 -22.168 0.000) 22.214 13.249 ( 0.568 -28.225 0.000) 28.230 13.249 ( 0.968 -29.463 0.000) 29.479 13.487 ( -3.733 14.399 0.000) 14.875 13.493 ( -2.236 6.451 0.000) 6.828 14.271 ( 2.166 0.340 0.000) 2.193 14.295 ( -0.292 1.988 0.000) 2.009 14.575 ( 3.671 8.740 0.000) 9.479 14.595 ( 0.511 13.777 0.000) 13.787 15.163 ( 18.117 10.597 0.000) 20.988 15.349 ( 0.789 1.628 0.000) 1.809 15.416 ( -3.016 0.816 0.000) 3.124 15.440 ( -6.476 16.505 0.000) 17.730 15.686 ( 6.347 4.538 0.000) 7.803 15.951 ( -19.824 -1.293 0.000) 19.866 17.447 ( -0.035 6.566 0.000) 6.567 17.449 ( -0.057 6.320 0.000) 6.320 18.430 ( 2.429 -37.846 0.000) 37.924 18.467 ( -1.462 -37.762 0.000) 37.791 18.728 ( 3.732 -19.037 0.000) 19.399 18.831 ( -7.499 -12.146 0.000) 14.274 20.519 ( 7.143 18.473 0.000) 19.806 20.554 ( 8.418 1.983 0.000) 8.648 20.811 ( -5.149 38.288 0.000) 38.632 20.963 ( -14.831 20.588 0.000) 25.374 21.361 ( 0.753 18.283 0.000) 18.298 21.443 ( -7.711 18.495 0.000) 20.038 24.316 ( 16.634 -6.090 0.000) 17.714 24.608 ( -12.685 -7.002 0.000) 14.489 25.814 ( 7.223 -16.427 0.000) 17.945 25.881 ( 2.178 -25.463 0.000) 25.556 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.224 ( 0.000 30.432 0.000) 30.432 1.401 ( 0.000 31.891 0.000) 31.891 2.125 ( 0.000 46.885 0.000) 46.885 2.384 ( 0.000 5.333 0.000) 5.333 2.454 ( 0.000 9.311 0.000) 9.311 2.567 ( 0.000 14.680 0.000) 14.680 2.657 ( 0.000 2.430 0.000) 2.430 2.693 ( 0.000 6.905 0.000) 6.905 2.724 ( 0.000 7.696 0.000) 7.696 2.918 ( 0.000 15.305 0.000) 15.305 3.108 ( 0.000 3.078 0.000) 3.078 3.143 ( 0.000 -1.087 0.000) 1.087 3.154 ( 0.000 5.859 0.000) 5.859 3.282 ( 0.000 11.217 0.000) 11.217 3.363 ( 0.000 5.810 0.000) 5.810 3.599 ( 0.000 11.160 0.000) 11.160 3.603 ( 0.000 15.430 0.000) 15.430 3.725 ( 0.000 8.809 0.000) 8.809 3.906 ( 0.000 5.297 0.000) 5.297 3.935 ( 0.000 -4.231 0.000) 4.231 4.349 ( 0.000 8.816 0.000) 8.816 4.610 ( 0.000 3.373 0.000) 3.373 4.854 ( 0.000 3.499 0.000) 3.499 5.109 ( 0.000 -2.342 0.000) 2.342 5.731 ( 0.000 22.822 0.000) 22.822 5.805 ( 0.000 6.917 0.000) 6.917 5.831 ( 0.000 13.554 0.000) 13.554 5.920 ( 0.000 0.371 0.000) 0.371 6.092 ( 0.000 34.975 0.000) 34.975 6.203 ( 0.000 33.205 0.000) 33.205 6.410 ( 0.000 15.212 0.000) 15.212 6.579 ( 0.000 10.314 0.000) 10.314 6.962 ( 0.000 1.352 0.000) 1.352 7.110 ( 0.000 0.499 0.000) 0.499 7.317 ( 0.000 -0.239 0.000) 0.239 7.489 ( 0.000 12.246 0.000) 12.246 7.754 ( 0.000 12.991 0.000) 12.991 7.793 ( 0.000 8.491 0.000) 8.491 7.925 ( 0.000 -5.450 0.000) 5.450 8.171 ( 0.000 1.607 0.000) 1.607 8.182 ( 0.000 -6.879 0.000) 6.879 8.435 ( 0.000 3.896 0.000) 3.896 8.695 ( 0.000 -7.362 0.000) 7.362 8.951 ( 0.000 15.053 0.000) 15.053 9.019 ( 0.000 -3.449 0.000) 3.449 9.198 ( 0.000 14.416 0.000) 14.416 9.230 ( 0.000 13.627 0.000) 13.627 9.287 ( 0.000 10.410 0.000) 10.410 9.361 ( 0.000 11.776 0.000) 11.776 9.488 ( 0.000 7.574 0.000) 7.574 9.919 ( 0.000 1.664 0.000) 1.664 10.246 ( 0.000 20.484 0.000) 20.484 10.261 ( 0.000 7.609 0.000) 7.609 10.457 ( 0.000 2.256 0.000) 2.256 10.797 ( 0.000 9.933 0.000) 9.933 10.912 ( 0.000 6.937 0.000) 6.937 11.142 ( 0.000 -6.650 0.000) 6.650 11.457 ( 0.000 -4.652 0.000) 4.652 11.540 ( 0.000 -11.976 0.000) 11.976 11.860 ( 0.000 3.553 0.000) 3.553 11.890 ( 0.000 -2.013 0.000) 2.013 12.036 ( 0.000 -13.462 0.000) 13.462 12.186 ( 0.000 5.757 0.000) 5.757 12.295 ( 0.000 12.825 0.000) 12.825 12.394 ( 0.000 -7.907 0.000) 7.907 12.464 ( 0.000 -37.972 0.000) 37.972 12.609 ( 0.000 -10.393 0.000) 10.393 12.610 ( 0.000 -32.527 0.000) 32.527 13.655 ( 0.000 0.101 0.000) 0.101 14.039 ( 0.000 -9.531 0.000) 9.531 14.055 ( 0.000 3.054 0.000) 3.054 14.085 ( 0.000 -7.303 0.000) 7.303 14.670 ( 0.000 11.579 0.000) 11.579 14.871 ( 0.000 6.813 0.000) 6.813 15.265 ( 0.000 -2.213 0.000) 2.213 15.462 ( 0.000 -1.189 0.000) 1.189 15.520 ( 0.000 20.824 0.000) 20.824 15.848 ( 0.000 12.968 0.000) 12.968 15.885 ( 0.000 0.012 0.000) 0.012 16.348 ( 0.000 -7.246 0.000) 7.246 17.641 ( 0.000 11.575 0.000) 11.575 17.657 ( 0.000 12.776 0.000) 12.776 17.715 ( 0.000 -26.300 0.000) 26.300 17.764 ( 0.000 -33.907 0.000) 33.907 18.137 ( 0.000 -28.582 0.000) 28.582 19.631 ( 0.000 -29.122 0.000) 29.122 19.868 ( 0.000 8.234 0.000) 8.234 20.520 ( 0.000 -3.775 0.000) 3.775 21.761 ( 0.000 28.650 0.000) 28.650 21.831 ( 0.000 17.838 0.000) 17.838 21.907 ( 0.000 24.437 0.000) 24.437 22.140 ( 0.000 3.311 0.000) 3.311 23.985 ( 0.000 4.378 0.000) 4.378 24.453 ( 0.000 -9.929 0.000) 9.929 24.672 ( 0.000 -12.897 0.000) 12.897 25.255 ( 0.000 -19.039 0.000) 19.039 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 9.527 25.630 0.000) 27.344 1.490 ( 8.817 29.421 0.000) 30.714 2.281 ( 11.002 37.735 0.000) 39.306 2.330 ( -9.212 7.113 0.000) 11.639 2.368 ( -8.643 12.289 0.000) 15.024 2.547 ( 2.144 13.878 0.000) 14.042 2.556 ( -5.514 5.582 0.000) 7.846 2.704 ( 4.516 3.250 0.000) 5.564 2.749 ( -1.725 9.862 0.000) 10.012 2.906 ( 1.866 10.742 0.000) 10.902 2.983 ( -6.528 7.937 0.000) 10.276 3.047 ( -6.772 5.872 0.000) 8.963 3.268 ( 5.606 6.436 0.000) 8.535 3.416 ( 7.361 9.069 0.000) 11.680 3.420 ( 0.249 8.591 0.000) 8.595 3.493 ( 0.833 9.786 0.000) 9.821 3.673 ( -4.130 7.872 0.000) 8.890 3.730 ( 6.242 8.716 0.000) 10.721 3.869 ( -7.404 -3.566 0.000) 8.218 3.963 ( 3.411 5.704 0.000) 6.646 4.379 ( 2.795 8.892 0.000) 9.321 4.515 ( -7.083 7.729 0.000) 10.483 4.886 ( 2.970 1.406 0.000) 3.286 5.088 ( -2.296 -1.364 0.000) 2.671 5.742 ( 1.855 20.431 0.000) 20.515 5.845 ( 4.269 4.404 0.000) 6.134 5.906 ( 6.178 14.078 0.000) 15.374 5.995 ( 4.937 4.605 0.000) 6.751 6.072 ( -0.924 29.938 0.000) 29.952 6.211 ( 0.429 34.506 0.000) 34.509 6.364 ( -4.651 14.909 0.000) 15.618 6.514 ( -6.398 14.026 0.000) 15.416 7.026 ( 5.829 0.695 0.000) 5.871 7.148 ( 2.991 -0.581 0.000) 3.047 7.379 ( 5.507 -3.133 0.000) 6.336 7.474 ( -0.595 12.076 0.000) 12.091 7.807 ( 2.330 8.782 0.000) 9.086 7.831 ( 6.280 9.453 0.000) 11.348 7.935 ( 1.075 -5.832 0.000) 5.930 8.064 ( -6.573 5.253 0.000) 8.414 8.223 ( 1.083 -7.629 0.000) 7.705 8.428 ( -2.290 3.753 0.000) 4.397 8.764 ( 5.531 -6.766 0.000) 8.739 8.906 ( -1.925 14.757 0.000) 14.882 9.002 ( -1.768 -2.000 0.000) 2.670 9.214 ( 1.709 14.030 0.000) 14.134 9.257 ( 1.876 7.409 0.000) 7.642 9.268 ( -2.441 6.060 0.000) 6.534 9.382 ( 3.077 16.915 0.000) 17.192 9.614 ( 11.653 9.328 0.000) 14.927 9.875 ( -5.729 5.145 0.000) 7.700 10.199 ( -5.608 7.205 0.000) 9.130 10.314 ( 4.416 19.090 0.000) 19.594 10.418 ( -2.245 5.988 0.000) 6.395 10.692 ( -7.928 5.206 0.000) 9.484 10.885 ( -0.357 7.190 0.000) 7.199 11.130 ( -2.220 -6.206 0.000) 6.591 11.406 ( -5.060 -2.845 0.000) 5.805 11.464 ( -6.564 -7.996 0.000) 10.345 11.846 ( -10.685 5.338 0.000) 11.944 11.898 ( -1.619 -7.589 0.000) 7.760 11.925 ( 3.074 -5.576 0.000) 6.368 12.291 ( 6.980 0.995 0.000) 7.051 12.328 ( 2.637 11.194 0.000) 11.501 12.335 ( -2.098 -18.768 0.000) 18.885 12.527 ( -6.034 -14.899 0.000) 16.074 12.559 ( 5.448 -28.466 0.000) 28.983 12.632 ( 0.739 -26.619 0.000) 26.629 13.603 ( -2.699 0.502 0.000) 2.745 13.979 ( -8.008 4.582 0.000) 9.227 14.094 ( 4.633 -7.250 0.000) 8.604 14.174 ( 5.633 -7.179 0.000) 9.126 14.707 ( 3.549 11.289 0.000) 11.834 14.992 ( 12.490 6.816 0.000) 14.229 15.117 ( -13.520 8.480 0.000) 15.960 15.456 ( -0.471 -0.099 0.000) 0.482 15.466 ( -3.668 14.074 0.000) 14.544 15.830 ( -3.002 8.310 0.000) 8.836 15.844 ( -0.339 12.630 0.000) 12.634 16.232 ( -12.227 -5.873 0.000) 13.564 17.612 ( -2.345 1.944 0.000) 3.046 17.624 ( -1.413 6.693 0.000) 6.841 17.755 ( 2.156 -17.092 0.000) 17.227 17.772 ( 0.663 -28.759 0.000) 28.767 18.173 ( 3.633 -27.678 0.000) 27.916 19.005 ( -33.712 -13.389 0.000) 36.273 20.256 ( 16.533 -5.962 0.000) 17.575 20.536 ( 1.482 -5.180 0.000) 5.388 21.661 ( -11.765 23.659 0.000) 26.423 21.711 ( -6.469 28.771 0.000) 29.489 21.856 ( -2.555 26.319 0.000) 26.443 22.053 ( -7.656 15.851 0.000) 17.603 23.954 ( 6.225 -0.075 0.000) 6.225 24.603 ( -6.563 -12.341 0.000) 13.978 24.938 ( 29.210 -24.861 0.000) 38.357 25.318 ( 5.262 -20.364 0.000) 21.033 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 18.711 15.392 0.000) 24.229 1.729 ( 14.825 23.543 0.000) 27.822 2.003 ( -20.349 8.786 0.000) 22.165 2.056 ( -16.714 16.899 0.000) 23.768 2.541 ( 4.812 12.399 0.000) 13.300 2.549 ( 1.787 6.694 0.000) 6.928 2.651 ( 10.645 19.868 0.000) 22.540 2.708 ( -1.047 11.430 0.000) 11.478 2.744 ( -2.042 5.043 0.000) 5.440 2.880 ( -9.581 8.384 0.000) 12.731 2.992 ( 4.669 10.644 0.000) 11.623 2.992 ( 7.006 12.643 0.000) 14.455 3.270 ( -0.284 15.030 0.000) 15.033 3.433 ( -8.707 11.790 0.000) 14.657 3.478 ( 6.689 3.058 0.000) 7.355 3.574 ( 3.610 9.214 0.000) 9.896 3.598 ( -2.964 8.140 0.000) 8.663 3.661 ( -9.906 4.216 0.000) 10.766 3.860 ( 6.829 3.365 0.000) 7.613 3.969 ( -3.310 2.328 0.000) 4.047 4.431 ( 1.614 7.592 0.000) 7.762 4.439 ( -0.452 8.147 0.000) 8.160 4.955 ( 3.716 0.755 0.000) 3.792 5.026 ( -3.570 0.616 0.000) 3.623 5.808 ( 4.592 18.108 0.000) 18.681 5.894 ( -2.411 9.488 0.000) 9.790 6.030 ( 5.578 12.025 0.000) 13.255 6.049 ( 4.560 20.100 0.000) 20.611 6.122 ( 2.603 8.748 0.000) 9.127 6.229 ( 3.242 32.137 0.000) 32.300 6.237 ( -7.903 17.484 0.000) 19.187 6.357 ( -8.460 19.645 0.000) 21.389 7.143 ( 4.822 -0.698 0.000) 4.872 7.187 ( 0.292 -1.192 0.000) 1.228 7.474 ( 2.702 -0.773 0.000) 2.811 7.480 ( 0.933 8.168 0.000) 8.221 7.885 ( 2.611 3.262 0.000) 4.178 7.899 ( -0.004 3.109 0.000) 3.109 8.000 ( 3.194 7.086 0.000) 7.773 8.010 ( 5.764 -5.115 0.000) 7.707 8.208 ( -2.103 -2.453 0.000) 3.231 8.288 ( -10.427 7.615 0.000) 12.912 8.867 ( 4.469 -5.911 0.000) 7.410 8.928 ( -0.681 -2.084 0.000) 2.193 9.008 ( 6.810 8.976 0.000) 11.267 9.174 ( -7.034 7.534 0.000) 10.308 9.266 ( 2.657 8.799 0.000) 9.191 9.287 ( 0.824 7.775 0.000) 7.818 9.480 ( 6.837 16.393 0.000) 17.762 9.673 ( -12.214 12.869 0.000) 17.743 9.867 ( 11.596 10.787 0.000) 15.838 10.058 ( -8.291 11.401 0.000) 14.097 10.348 ( -0.279 10.770 0.000) 10.774 10.376 ( -3.279 13.049 0.000) 13.455 10.674 ( 9.508 -6.881 0.000) 11.737 10.925 ( -7.105 -4.365 0.000) 8.339 11.043 ( 4.448 8.288 0.000) 9.407 11.259 ( -10.379 3.167 0.000) 10.851 11.399 ( 2.079 -3.387 0.000) 3.975 11.553 ( -13.540 3.369 0.000) 13.953 11.941 ( 2.686 -5.403 0.000) 6.034 11.969 ( 0.484 -7.830 0.000) 7.845 12.321 ( 0.700 -16.187 0.000) 16.202 12.353 ( -1.394 -2.438 0.000) 2.808 12.399 ( 3.254 -1.636 0.000) 3.642 12.432 ( -1.852 -6.293 0.000) 6.559 12.637 ( 2.206 -25.325 0.000) 25.421 12.647 ( 0.679 -25.105 0.000) 25.114 13.605 ( 3.557 4.995 0.000) 6.133 13.760 ( -11.771 10.526 0.000) 15.791 14.188 ( 4.118 -7.134 0.000) 8.237 14.232 ( 0.084 -6.814 0.000) 6.814 14.791 ( 4.553 10.882 0.000) 11.796 14.895 ( -7.302 13.122 0.000) 15.017 15.308 ( 14.209 3.500 0.000) 14.633 15.409 ( -2.254 5.787 0.000) 6.211 15.482 ( 7.494 5.414 0.000) 9.245 15.769 ( -7.680 14.417 0.000) 16.335 15.839 ( 0.081 10.823 0.000) 10.823 15.917 ( -14.321 -1.749 0.000) 14.428 17.588 ( -0.207 -0.711 0.000) 0.740 17.598 ( -1.047 1.232 0.000) 1.616 17.782 ( 0.575 -17.898 0.000) 17.907 17.783 ( 0.328 -22.212 0.000) 22.214 18.284 ( 8.012 -24.904 0.000) 26.161 18.516 ( -16.854 -19.364 0.000) 25.671 20.485 ( 7.456 -8.234 0.000) 11.107 20.556 ( -0.369 -8.364 0.000) 8.372 21.499 ( -3.506 30.670 0.000) 30.870 21.545 ( -7.532 31.683 0.000) 32.566 21.851 ( 1.536 26.893 0.000) 26.937 21.915 ( -5.300 24.344 0.000) 24.915 24.176 ( 13.620 -7.045 0.000) 15.334 24.427 ( -11.229 -10.613 0.000) 15.451 25.330 ( 10.611 -27.818 0.000) 29.773 25.402 ( 1.756 -23.789 0.000) 23.853 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 28.293 0.000) 28.293 1.973 ( 0.000 26.016 0.000) 26.016 2.561 ( 0.000 12.038 0.000) 12.038 2.638 ( 0.000 9.418 0.000) 9.418 2.734 ( 0.000 5.525 0.000) 5.525 2.829 ( 0.000 18.511 0.000) 18.511 2.843 ( 0.000 7.382 0.000) 7.382 2.880 ( 0.000 7.740 0.000) 7.740 2.989 ( 0.000 -1.879 0.000) 1.879 3.004 ( 0.000 31.742 0.000) 31.742 3.214 ( 0.000 9.975 0.000) 9.975 3.290 ( 0.000 7.986 0.000) 7.986 3.332 ( 0.000 13.406 0.000) 13.406 3.445 ( 0.000 3.162 0.000) 3.162 3.480 ( 0.000 7.613 0.000) 7.613 3.785 ( 0.000 -5.778 0.000) 5.778 3.810 ( 0.000 9.887 0.000) 9.887 3.922 ( 0.000 11.097 0.000) 11.097 3.961 ( 0.000 19.030 0.000) 19.030 4.055 ( 0.000 4.665 0.000) 4.665 4.545 ( 0.000 10.543 0.000) 10.543 4.758 ( 0.000 11.518 0.000) 11.518 4.941 ( 0.000 5.074 0.000) 5.074 5.055 ( 0.000 -3.008 0.000) 3.008 5.870 ( 0.000 -5.038 0.000) 5.038 5.890 ( 0.000 2.529 0.000) 2.529 5.931 ( 0.000 0.929 0.000) 0.929 6.012 ( 0.000 7.744 0.000) 7.744 6.713 ( 0.000 15.580 0.000) 15.580 6.773 ( 0.000 28.813 0.000) 28.813 6.804 ( 0.000 18.740 0.000) 18.740 6.849 ( 0.000 12.637 0.000) 12.637 7.029 ( 0.000 7.551 0.000) 7.551 7.169 ( 0.000 5.845 0.000) 5.845 7.354 ( 0.000 5.529 0.000) 5.529 7.673 ( 0.000 -1.052 0.000) 1.052 7.948 ( 0.000 13.426 0.000) 13.426 7.986 ( 0.000 10.523 0.000) 10.523 7.997 ( 0.000 -10.492 0.000) 10.492 8.061 ( 0.000 17.738 0.000) 17.738 8.283 ( 0.000 10.034 0.000) 10.034 8.536 ( 0.000 8.306 0.000) 8.306 8.619 ( 0.000 0.548 0.000) 0.548 8.999 ( 0.000 1.766 0.000) 1.766 9.265 ( 0.000 15.095 0.000) 15.095 9.516 ( 0.000 14.310 0.000) 14.310 9.524 ( 0.000 11.704 0.000) 11.704 9.536 ( 0.000 20.065 0.000) 20.065 9.622 ( 0.000 14.480 0.000) 14.480 9.694 ( 0.000 13.706 0.000) 13.706 9.997 ( 0.000 6.413 0.000) 6.413 10.316 ( 0.000 3.776 0.000) 3.776 10.519 ( 0.000 7.418 0.000) 7.418 10.699 ( 0.000 22.440 0.000) 22.440 10.971 ( 0.000 3.588 0.000) 3.588 11.021 ( 0.000 -10.049 0.000) 10.049 11.123 ( 0.000 6.535 0.000) 6.535 11.294 ( 0.000 -6.271 0.000) 6.271 11.321 ( 0.000 -10.104 0.000) 10.104 11.579 ( 0.000 -18.440 0.000) 18.440 11.677 ( 0.000 -40.180 0.000) 40.180 11.927 ( 0.000 5.795 0.000) 5.795 11.933 ( 0.000 -25.755 0.000) 25.755 12.045 ( 0.000 6.172 0.000) 6.172 12.313 ( 0.000 6.710 0.000) 6.710 12.449 ( 0.000 -6.548 0.000) 6.548 12.472 ( 0.000 12.815 0.000) 12.815 12.577 ( 0.000 10.098 0.000) 10.098 13.626 ( 0.000 -2.396 0.000) 2.396 13.804 ( 0.000 -14.337 0.000) 14.337 13.913 ( 0.000 -9.906 0.000) 9.906 14.069 ( 0.000 -1.464 0.000) 1.464 14.860 ( 0.000 7.009 0.000) 7.009 14.981 ( 0.000 3.515 0.000) 3.515 15.204 ( 0.000 -4.050 0.000) 4.050 15.478 ( 0.000 4.232 0.000) 4.232 15.883 ( 0.000 15.396 0.000) 15.396 15.901 ( 0.000 2.144 0.000) 2.144 16.091 ( 0.000 10.755 0.000) 10.755 16.175 ( 0.000 -10.377 0.000) 10.377 17.214 ( 0.000 -20.791 0.000) 20.791 17.287 ( 0.000 -16.580 0.000) 16.580 17.559 ( 0.000 -27.644 0.000) 27.644 17.912 ( 0.000 13.917 0.000) 13.917 17.929 ( 0.000 14.082 0.000) 14.082 19.034 ( 0.000 -30.234 0.000) 30.234 19.914 ( 0.000 -2.513 0.000) 2.513 20.318 ( 0.000 -14.540 0.000) 14.540 22.142 ( 0.000 11.901 0.000) 11.901 22.165 ( 0.000 -0.697 0.000) 0.697 22.284 ( 0.000 22.956 0.000) 22.956 22.350 ( 0.000 18.138 0.000) 18.138 24.069 ( 0.000 3.783 0.000) 3.783 24.278 ( 0.000 -7.014 0.000) 7.014 24.401 ( 0.000 -13.680 0.000) 13.680 24.844 ( 0.000 -21.714 0.000) 21.714 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 2.214 25.404 0.000) 25.501 2.026 ( 5.306 24.644 0.000) 25.209 2.500 ( -12.359 8.784 0.000) 15.162 2.567 ( -7.194 10.323 0.000) 12.583 2.673 ( -2.211 7.205 0.000) 7.537 2.769 ( 2.648 5.541 0.000) 6.141 2.794 ( -1.936 16.292 0.000) 16.407 2.908 ( -1.007 6.777 0.000) 6.852 3.044 ( 2.169 22.966 0.000) 23.068 3.060 ( 5.135 7.022 0.000) 8.700 3.216 ( 3.233 20.359 0.000) 20.614 3.256 ( -5.723 11.003 0.000) 12.403 3.381 ( 7.355 6.159 0.000) 9.593 3.506 ( 3.912 1.821 0.000) 4.315 3.613 ( 7.960 9.905 0.000) 12.707 3.728 ( -4.861 11.647 0.000) 12.621 3.764 ( -1.510 -1.824 0.000) 2.368 3.883 ( -3.844 8.361 0.000) 9.202 3.993 ( 1.858 16.345 0.000) 16.450 4.060 ( -0.113 3.255 0.000) 3.257 4.572 ( 2.256 10.095 0.000) 10.344 4.723 ( -3.458 12.886 0.000) 13.342 4.947 ( 1.188 4.976 0.000) 5.116 5.056 ( -0.169 -1.798 0.000) 1.806 5.872 ( 0.605 -4.146 0.000) 4.189 5.905 ( 1.371 1.545 0.000) 2.066 5.981 ( 4.110 -0.413 0.000) 4.131 6.037 ( 2.119 4.447 0.000) 4.926 6.683 ( -3.577 21.348 0.000) 21.645 6.718 ( -5.247 15.949 0.000) 16.790 6.818 ( 5.181 24.825 0.000) 25.360 6.917 ( 3.396 18.755 0.000) 19.060 7.089 ( 5.299 7.911 0.000) 9.522 7.192 ( 2.272 5.856 0.000) 6.281 7.355 ( 0.648 2.324 0.000) 2.412 7.725 ( 4.402 2.115 0.000) 4.883 7.845 ( -7.584 8.292 0.000) 11.238 7.976 ( 0.680 0.111 0.000) 0.689 8.069 ( -0.929 12.796 0.000) 12.829 8.083 ( 4.471 2.297 0.000) 5.027 8.246 ( -1.058 13.102 0.000) 13.144 8.584 ( 3.748 13.606 0.000) 14.112 8.677 ( 4.999 -1.013 0.000) 5.101 8.953 ( -3.798 1.131 0.000) 3.963 9.276 ( -4.387 18.355 0.000) 18.872 9.424 ( 1.319 8.991 0.000) 9.087 9.457 ( -4.528 14.954 0.000) 15.624 9.523 ( -1.912 14.936 0.000) 15.057 9.716 ( 4.278 15.160 0.000) 15.752 9.848 ( 13.546 13.043 0.000) 18.805 10.017 ( 0.539 9.175 0.000) 9.191 10.302 ( -0.915 5.900 0.000) 5.971 10.502 ( -0.211 7.347 0.000) 7.350 10.661 ( -4.877 16.260 0.000) 16.975 10.818 ( -12.910 3.792 0.000) 13.455 10.996 ( -0.656 -2.161 0.000) 2.259 11.166 ( 0.549 6.505 0.000) 6.528 11.236 ( -2.810 -11.351 0.000) 11.694 11.300 ( -3.029 -9.825 0.000) 10.282 11.552 ( -1.289 -25.668 0.000) 25.700 11.723 ( 2.967 -28.236 0.000) 28.391 11.888 ( -3.264 0.941 0.000) 3.397 11.918 ( -1.543 -23.515 0.000) 23.565 11.982 ( -5.871 5.698 0.000) 8.181 12.370 ( 3.237 8.184 0.000) 8.801 12.400 ( -3.408 -4.611 0.000) 5.734 12.453 ( 0.304 6.686 0.000) 6.693 12.623 ( 2.621 8.698 0.000) 9.084 13.593 ( -0.058 -1.052 0.000) 1.053 13.844 ( 2.972 -13.336 0.000) 13.663 14.001 ( 5.551 -10.058 0.000) 11.488 14.057 ( -1.274 -0.625 0.000) 1.419 14.886 ( 2.445 6.115 0.000) 6.586 15.096 ( 11.347 3.312 0.000) 11.820 15.151 ( -5.007 -2.009 0.000) 5.395 15.498 ( 2.201 5.491 0.000) 5.916 15.762 ( -8.080 12.482 0.000) 14.869 15.966 ( 2.788 6.951 0.000) 7.490 16.082 ( -0.870 10.503 0.000) 10.539 16.090 ( -8.616 -8.466 0.000) 12.079 17.209 ( -0.352 -20.294 0.000) 20.297 17.269 ( -1.623 -16.357 0.000) 16.437 17.608 ( 5.024 -26.615 0.000) 27.085 17.918 ( 0.633 13.545 0.000) 13.560 17.927 ( -0.236 13.534 0.000) 13.536 18.635 ( -29.996 -21.737 0.000) 37.044 20.102 ( 11.721 -9.523 0.000) 15.102 20.321 ( 0.197 -14.718 0.000) 14.719 22.037 ( -4.672 12.981 0.000) 13.796 22.228 ( -6.185 21.811 0.000) 22.671 22.246 ( 2.882 5.307 0.000) 6.039 22.323 ( -1.475 19.190 0.000) 19.247 23.990 ( -0.392 3.069 0.000) 3.093 24.349 ( -4.935 -12.652 0.000) 13.580 24.553 ( 17.907 -14.840 0.000) 23.256 24.889 ( 3.514 -22.181 0.000) 22.458 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 9.249 17.617 0.000) 19.898 2.171 ( 3.681 18.988 0.000) 19.342 2.185 ( -10.339 11.414 0.000) 15.401 2.380 ( -10.875 15.445 0.000) 18.890 2.717 ( 3.306 10.450 0.000) 10.960 2.762 ( -1.295 11.857 0.000) 11.928 2.835 ( 2.886 6.242 0.000) 6.877 2.879 ( -1.794 6.966 0.000) 7.193 3.057 ( 1.060 15.517 0.000) 15.553 3.117 ( -3.604 12.160 0.000) 12.683 3.201 ( 5.070 10.490 0.000) 11.651 3.297 ( -0.440 16.888 0.000) 16.894 3.523 ( 1.713 5.303 0.000) 5.573 3.558 ( 10.634 9.957 0.000) 14.568 3.618 ( -5.334 5.579 0.000) 7.719 3.742 ( 4.668 8.723 0.000) 9.894 3.761 ( -8.725 9.406 0.000) 12.829 3.792 ( 1.126 8.723 0.000) 8.796 4.020 ( 0.975 11.776 0.000) 11.816 4.041 ( -1.395 4.003 0.000) 4.239 4.613 ( 1.710 10.021 0.000) 10.166 4.652 ( -2.877 12.517 0.000) 12.843 4.991 ( 2.834 3.412 0.000) 4.436 5.039 ( -1.710 0.866 0.000) 1.917 5.898 ( 1.793 -3.762 0.000) 4.168 5.922 ( -0.188 -2.053 0.000) 2.062 6.055 ( 2.745 -1.102 0.000) 2.958 6.072 ( 0.913 0.293 0.000) 0.959 6.617 ( -1.951 19.935 0.000) 20.030 6.630 ( -3.124 17.242 0.000) 17.523 6.923 ( 4.012 31.833 0.000) 32.084 6.956 ( 0.405 27.877 0.000) 27.880 7.194 ( 4.378 7.357 0.000) 8.561 7.234 ( 0.654 6.278 0.000) 6.311 7.423 ( 7.477 -3.513 0.000) 8.261 7.626 ( -11.354 4.830 0.000) 12.338 7.874 ( 6.875 -6.742 0.000) 9.629 7.975 ( -2.158 -6.667 0.000) 7.007 8.046 ( -0.414 12.235 0.000) 12.242 8.071 ( -3.071 13.140 0.000) 13.494 8.365 ( 11.110 17.220 0.000) 20.493 8.573 ( -7.169 20.745 0.000) 21.949 8.782 ( 5.083 -2.122 0.000) 5.509 8.870 ( -4.246 -1.367 0.000) 4.461 9.223 ( 3.099 12.294 0.000) 12.678 9.346 ( -6.973 13.283 0.000) 15.002 9.502 ( 0.371 12.183 0.000) 12.188 9.503 ( 2.263 12.557 0.000) 12.759 9.795 ( 5.769 13.924 0.000) 15.072 9.947 ( -7.438 14.418 0.000) 16.224 10.143 ( 13.860 15.182 0.000) 20.557 10.294 ( -0.906 12.635 0.000) 12.667 10.525 ( -6.346 7.635 0.000) 9.928 10.558 ( -6.011 -1.064 0.000) 6.104 10.612 ( 7.337 8.721 0.000) 11.397 10.886 ( -13.832 2.903 0.000) 14.133 11.123 ( 2.555 -7.591 0.000) 8.010 11.211 ( -5.252 -9.299 0.000) 10.680 11.336 ( 8.741 -4.756 0.000) 9.951 11.498 ( -5.866 -17.978 0.000) 18.911 11.775 ( 2.404 -16.862 0.000) 17.032 11.825 ( -2.878 -7.247 0.000) 7.798 11.876 ( -2.912 -3.855 0.000) 4.831 11.879 ( -2.034 -18.699 0.000) 18.809 12.351 ( -1.138 -0.859 0.000) 1.426 12.358 ( -1.649 4.703 0.000) 4.984 12.547 ( 6.107 2.468 0.000) 6.587 12.633 ( -2.064 5.018 0.000) 5.426 13.676 ( 7.944 1.421 0.000) 8.070 13.835 ( -5.673 -4.371 0.000) 7.162 14.047 ( 1.210 -5.093 0.000) 5.235 14.064 ( 0.698 -9.354 0.000) 9.380 14.948 ( 3.776 4.235 0.000) 5.674 15.038 ( -5.570 1.994 0.000) 5.917 15.376 ( 14.647 3.356 0.000) 15.026 15.587 ( 8.226 6.314 0.000) 10.370 15.593 ( -8.838 11.246 0.000) 14.303 15.842 ( -15.002 -3.278 0.000) 15.356 16.020 ( 2.148 8.755 0.000) 9.015 16.058 ( -1.632 9.769 0.000) 9.904 17.209 ( 0.560 -18.667 0.000) 18.675 17.233 ( -1.762 -16.830 0.000) 16.922 17.758 ( 10.295 -22.215 0.000) 24.485 17.911 ( -2.163 9.323 0.000) 9.571 17.938 ( 1.812 11.093 0.000) 11.240 18.115 ( -20.084 -17.154 0.000) 26.412 20.265 ( 4.973 -13.334 0.000) 14.231 20.317 ( -0.941 -14.721 0.000) 14.751 21.998 ( 1.187 18.991 0.000) 19.028 22.084 ( -6.983 21.512 0.000) 22.617 22.281 ( 1.102 12.074 0.000) 12.124 22.300 ( -1.002 17.340 0.000) 17.369 24.071 ( 7.194 -3.222 0.000) 7.883 24.223 ( -7.544 -9.229 0.000) 11.920 24.836 ( 9.759 -21.692 0.000) 23.786 24.931 ( -0.435 -22.938 0.000) 22.942 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.327 ( 0.000 24.334 0.000) 24.334 2.425 ( 0.000 19.810 0.000) 19.810 2.814 ( 0.000 8.284 0.000) 8.284 2.826 ( 0.000 13.875 0.000) 13.875 2.867 ( 0.000 7.578 0.000) 7.578 2.881 ( 0.000 -2.856 0.000) 2.856 3.002 ( 0.000 3.756 0.000) 3.756 3.052 ( 0.000 7.590 0.000) 7.590 3.114 ( 0.000 10.839 0.000) 10.839 3.281 ( 0.000 7.515 0.000) 7.515 3.464 ( 0.000 8.990 0.000) 8.990 3.495 ( 0.000 2.233 0.000) 2.233 3.527 ( 0.000 -1.855 0.000) 1.855 3.533 ( 0.000 6.924 0.000) 6.924 3.733 ( 0.000 29.869 0.000) 29.869 3.736 ( 0.000 -0.279 0.000) 0.279 3.976 ( 0.000 6.889 0.000) 6.889 4.123 ( 0.000 3.326 0.000) 3.326 4.150 ( 0.000 11.332 0.000) 11.332 4.311 ( 0.000 15.922 0.000) 15.922 4.750 ( 0.000 9.967 0.000) 9.967 4.998 ( 0.000 -2.516 0.000) 2.516 5.020 ( 0.000 13.378 0.000) 13.378 5.045 ( 0.000 5.347 0.000) 5.347 5.759 ( 0.000 -4.188 0.000) 4.188 5.914 ( 0.000 0.269 0.000) 0.269 5.965 ( 0.000 2.569 0.000) 2.569 6.117 ( 0.000 3.836 0.000) 3.836 6.870 ( 0.000 3.997 0.000) 3.997 7.009 ( 0.000 6.257 0.000) 6.257 7.044 ( 0.000 8.192 0.000) 8.192 7.117 ( 0.000 8.200 0.000) 8.200 7.222 ( 0.000 -3.396 0.000) 3.396 7.299 ( 0.000 15.375 0.000) 15.375 7.567 ( 0.000 13.470 0.000) 13.470 7.579 ( 0.000 -4.803 0.000) 4.803 7.888 ( 0.000 1.715 0.000) 1.715 8.192 ( 0.000 6.693 0.000) 6.693 8.193 ( 0.000 10.361 0.000) 10.361 8.434 ( 0.000 19.576 0.000) 19.576 8.551 ( 0.000 16.238 0.000) 16.238 8.712 ( 0.000 8.224 0.000) 8.224 8.844 ( 0.000 22.575 0.000) 22.575 9.046 ( 0.000 1.697 0.000) 1.697 9.497 ( 0.000 8.018 0.000) 8.018 9.677 ( 0.000 3.819 0.000) 3.819 9.745 ( 0.000 8.236 0.000) 8.236 9.845 ( 0.000 9.691 0.000) 9.691 9.923 ( 0.000 15.794 0.000) 15.794 10.136 ( 0.000 6.411 0.000) 6.411 10.142 ( 0.000 28.905 0.000) 28.905 10.437 ( 0.000 1.301 0.000) 1.301 10.718 ( 0.000 -16.915 0.000) 16.915 10.796 ( 0.000 16.332 0.000) 16.332 10.816 ( 0.000 -35.296 0.000) 35.296 10.863 ( 0.000 -18.745 0.000) 18.745 10.874 ( 0.000 -9.886 0.000) 9.886 11.171 ( 0.000 24.112 0.000) 24.112 11.177 ( 0.000 -12.757 0.000) 12.757 11.324 ( 0.000 4.230 0.000) 4.230 11.370 ( 0.000 -1.627 0.000) 1.627 11.821 ( 0.000 8.398 0.000) 8.398 12.092 ( 0.000 7.524 0.000) 7.524 12.201 ( 0.000 10.097 0.000) 10.097 12.382 ( 0.000 3.518 0.000) 3.518 12.433 ( 0.000 5.022 0.000) 5.022 12.711 ( 0.000 3.109 0.000) 3.109 12.795 ( 0.000 17.707 0.000) 17.707 13.478 ( 0.000 -18.481 0.000) 18.481 13.577 ( 0.000 -2.418 0.000) 2.418 13.706 ( 0.000 -10.838 0.000) 10.838 14.005 ( 0.000 -4.738 0.000) 4.738 14.929 ( 0.000 0.221 0.000) 0.221 14.984 ( 0.000 -3.299 0.000) 3.299 15.108 ( 0.000 -5.377 0.000) 5.377 15.662 ( 0.000 14.158 0.000) 14.158 15.932 ( 0.000 -13.583 0.000) 13.583 15.986 ( 0.000 6.567 0.000) 6.567 16.123 ( 0.000 8.661 0.000) 8.661 16.247 ( 0.000 5.218 0.000) 5.218 16.968 ( 0.000 -4.670 0.000) 4.670 17.058 ( 0.000 -21.870 0.000) 21.870 17.078 ( 0.000 -4.756 0.000) 4.756 18.141 ( 0.000 1.271 0.000) 1.271 18.203 ( 0.000 15.220 0.000) 15.220 18.526 ( 0.000 -14.743 0.000) 14.743 19.801 ( 0.000 -8.395 0.000) 8.395 19.997 ( 0.000 -17.280 0.000) 17.280 22.124 ( 0.000 -3.055 0.000) 3.055 22.265 ( 0.000 0.804 0.000) 0.804 22.575 ( 0.000 4.444 0.000) 4.444 22.621 ( 0.000 10.475 0.000) 10.475 24.124 ( 0.000 1.702 0.000) 1.702 24.165 ( 0.000 -9.763 0.000) 9.763 24.191 ( 0.000 -2.083 0.000) 2.083 24.439 ( 0.000 -18.347 0.000) 18.347 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -2.313 22.692 0.000) 22.810 2.454 ( 2.922 18.674 0.000) 18.902 2.619 ( -14.564 3.700 0.000) 15.027 2.764 ( -4.443 9.456 0.000) 10.448 2.874 ( 2.980 12.343 0.000) 12.698 2.893 ( 1.922 6.786 0.000) 7.053 3.036 ( -1.240 5.887 0.000) 6.016 3.084 ( -2.469 12.589 0.000) 12.829 3.183 ( 8.900 4.508 0.000) 9.976 3.279 ( 0.016 7.554 0.000) 7.554 3.410 ( -4.482 5.172 0.000) 6.844 3.498 ( 2.651 4.084 0.000) 4.869 3.542 ( 3.895 4.463 0.000) 5.924 3.712 ( 2.860 -2.515 0.000) 3.808 3.763 ( 9.572 4.011 0.000) 10.378 3.764 ( 2.066 26.768 0.000) 26.848 3.919 ( -3.142 7.429 0.000) 8.066 4.053 ( -5.508 5.949 0.000) 8.107 4.138 ( -2.225 7.575 0.000) 7.895 4.313 ( -0.826 15.142 0.000) 15.164 4.759 ( 1.172 8.524 0.000) 8.604 4.980 ( -3.121 11.657 0.000) 12.068 5.028 ( 2.607 -0.473 0.000) 2.649 5.080 ( 2.086 8.357 0.000) 8.613 5.766 ( 0.911 -4.260 0.000) 4.356 5.898 ( -1.366 -1.076 0.000) 1.739 6.008 ( 3.306 2.267 0.000) 4.009 6.103 ( -1.101 2.528 0.000) 2.758 6.938 ( 0.555 7.769 0.000) 7.789 6.941 ( -4.812 8.383 0.000) 9.666 7.005 ( 1.643 -0.556 0.000) 1.734 7.113 ( 5.661 6.230 0.000) 8.418 7.364 ( 5.317 13.791 0.000) 14.780 7.374 ( 8.399 5.104 0.000) 9.828 7.522 ( -3.411 13.706 0.000) 14.124 7.631 ( 4.611 -4.401 0.000) 6.375 7.862 ( -2.118 -2.705 0.000) 3.435 8.067 ( -11.996 7.391 0.000) 14.090 8.309 ( 8.692 13.629 0.000) 16.165 8.404 ( -2.023 20.619 0.000) 20.718 8.561 ( 2.603 17.817 0.000) 18.006 8.735 ( 2.383 6.564 0.000) 6.983 8.936 ( 5.013 17.419 0.000) 18.126 9.007 ( -1.355 5.982 0.000) 6.133 9.584 ( -1.786 7.926 0.000) 8.125 9.619 ( 0.942 13.723 0.000) 13.755 9.739 ( 2.016 10.780 0.000) 10.966 9.798 ( -3.160 10.573 0.000) 11.035 9.935 ( -1.484 8.894 0.000) 9.017 10.071 ( 2.213 7.464 0.000) 7.786 10.252 ( 3.407 16.028 0.000) 16.386 10.462 ( 2.634 0.612 0.000) 2.704 10.705 ( -1.735 -12.201 0.000) 12.323 10.743 ( -5.517 -13.201 0.000) 14.307 10.796 ( -0.673 9.942 0.000) 9.965 10.869 ( 0.665 -19.275 0.000) 19.286 10.890 ( -0.037 -18.260 0.000) 18.261 11.049 ( -6.216 -12.510 0.000) 13.970 11.086 ( -8.012 14.292 0.000) 16.384 11.259 ( -6.418 8.156 0.000) 10.379 11.483 ( 7.329 -2.945 0.000) 7.898 11.821 ( 0.022 9.251 0.000) 9.251 12.029 ( -6.409 9.171 0.000) 11.188 12.141 ( -5.503 10.036 0.000) 11.446 12.351 ( -0.682 1.319 0.000) 1.484 12.491 ( 5.089 4.566 0.000) 6.837 12.696 ( -8.587 14.299 0.000) 16.679 12.734 ( 0.341 2.672 0.000) 2.693 13.546 ( 5.482 -16.058 0.000) 16.968 13.562 ( 1.384 -2.628 0.000) 2.970 13.798 ( 6.204 -9.676 0.000) 11.494 14.008 ( -0.163 -4.176 0.000) 4.180 14.938 ( 1.021 -0.259 0.000) 1.053 15.082 ( -2.497 -4.482 0.000) 5.131 15.098 ( 10.806 -3.534 0.000) 11.369 15.698 ( 3.511 14.428 0.000) 14.849 15.856 ( -7.484 -10.925 0.000) 13.242 15.968 ( -2.096 6.910 0.000) 7.221 16.131 ( 0.890 7.771 0.000) 7.822 16.233 ( -1.389 4.990 0.000) 5.180 16.969 ( 0.559 -4.860 0.000) 4.892 17.067 ( -1.108 -4.440 0.000) 4.576 17.123 ( 6.217 -20.962 0.000) 21.864 18.039 ( -13.523 -12.491 0.000) 18.409 18.209 ( 0.523 15.248 0.000) 15.257 18.352 ( -10.307 4.172 0.000) 11.119 19.887 ( 6.264 -12.055 0.000) 13.585 20.000 ( 0.296 -17.150 0.000) 17.153 22.144 ( 2.183 -0.452 0.000) 2.229 22.310 ( 4.252 0.672 0.000) 4.305 22.503 ( -6.519 5.504 0.000) 8.532 22.597 ( -2.585 8.590 0.000) 8.970 24.052 ( -2.407 2.773 0.000) 3.672 24.135 ( -2.454 -8.538 0.000) 8.884 24.338 ( 9.126 -7.520 0.000) 11.825 24.483 ( 3.448 -18.068 0.000) 18.394 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 1.319 17.606 0.000) 17.655 2.376 ( -8.914 9.992 0.000) 13.391 2.540 ( 5.285 16.383 0.000) 17.214 2.656 ( -6.120 12.621 0.000) 14.027 2.935 ( 2.191 6.183 0.000) 6.560 2.942 ( 2.856 11.245 0.000) 11.602 3.005 ( -1.234 6.158 0.000) 6.281 3.032 ( -2.729 12.268 0.000) 12.568 3.284 ( 0.551 8.199 0.000) 8.218 3.296 ( 0.690 5.976 0.000) 6.016 3.390 ( 4.876 7.946 0.000) 9.323 3.512 ( -4.316 1.760 0.000) 4.661 3.597 ( 3.392 7.702 0.000) 8.416 3.676 ( -3.699 1.596 0.000) 4.029 3.810 ( 4.632 11.985 0.000) 12.849 3.928 ( -6.256 7.431 0.000) 9.714 3.946 ( 4.611 11.610 0.000) 12.492 4.002 ( 6.159 9.197 0.000) 11.069 4.087 ( 1.454 2.127 0.000) 2.576 4.241 ( -6.909 9.086 0.000) 11.414 4.808 ( 3.924 9.905 0.000) 10.654 4.900 ( -4.859 12.157 0.000) 13.092 5.081 ( 2.341 3.963 0.000) 4.603 5.105 ( 0.112 7.824 0.000) 7.825 5.801 ( 2.584 -4.301 0.000) 5.017 5.857 ( -2.781 -3.151 0.000) 4.203 6.062 ( 1.852 0.692 0.000) 1.977 6.084 ( -0.817 0.504 0.000) 0.960 6.859 ( -2.618 6.767 0.000) 7.256 6.861 ( -2.592 7.935 0.000) 8.347 7.241 ( 13.882 4.360 0.000) 14.550 7.242 ( 6.737 7.758 0.000) 10.274 7.393 ( -3.789 3.535 0.000) 5.182 7.443 ( 0.438 8.904 0.000) 8.915 7.565 ( 6.262 19.633 0.000) 20.607 7.714 ( 0.104 -2.878 0.000) 2.880 7.787 ( -11.121 8.697 0.000) 14.117 7.810 ( -3.154 -7.747 0.000) 8.364 8.384 ( 0.145 20.110 0.000) 20.111 8.393 ( 0.181 18.002 0.000) 18.002 8.720 ( 10.683 12.513 0.000) 16.453 8.823 ( 7.999 10.694 0.000) 13.355 8.873 ( -6.202 1.165 0.000) 6.310 9.018 ( -6.375 21.631 0.000) 22.551 9.508 ( 4.559 16.226 0.000) 16.855 9.673 ( -7.728 16.281 0.000) 18.022 9.730 ( -2.068 11.748 0.000) 11.928 9.747 ( 0.001 11.964 0.000) 11.964 9.953 ( 9.170 1.967 0.000) 9.379 10.186 ( -9.432 7.546 0.000) 12.080 10.293 ( 15.655 -1.973 0.000) 15.779 10.513 ( -0.201 -5.060 0.000) 5.064 10.625 ( -5.829 3.994 0.000) 7.066 10.637 ( -4.051 -1.506 0.000) 4.322 10.801 ( 1.975 7.216 0.000) 7.481 10.873 ( -1.792 -12.866 0.000) 12.990 10.875 ( 0.047 -18.751 0.000) 18.751 10.911 ( -6.676 -8.604 0.000) 10.891 11.026 ( 2.205 -7.960 0.000) 8.260 11.113 ( -6.842 7.901 0.000) 10.452 11.627 ( 7.600 0.908 0.000) 7.654 11.777 ( -6.447 8.393 0.000) 10.583 11.937 ( 0.589 8.375 0.000) 8.396 12.018 ( -6.150 10.447 0.000) 12.123 12.391 ( 4.480 4.449 0.000) 6.314 12.519 ( -8.366 9.350 0.000) 12.546 12.602 ( 5.614 3.043 0.000) 6.386 12.696 ( -3.783 2.046 0.000) 4.301 13.626 ( 3.290 -6.738 0.000) 7.498 13.635 ( 2.588 -12.767 0.000) 13.027 13.905 ( 4.678 -6.045 0.000) 7.644 13.981 ( -2.771 -3.387 0.000) 4.376 14.969 ( 2.150 -1.264 0.000) 2.494 15.023 ( -3.153 -2.668 0.000) 4.130 15.364 ( 15.129 -5.134 0.000) 15.976 15.650 ( -13.146 -7.864 0.000) 15.319 15.791 ( 5.659 13.986 0.000) 15.088 15.899 ( -4.825 10.842 0.000) 11.867 16.158 ( 1.819 5.941 0.000) 6.213 16.198 ( -2.077 4.925 0.000) 5.345 16.996 ( 1.968 -3.721 0.000) 4.210 17.036 ( -1.959 -3.764 0.000) 4.243 17.308 ( 13.115 -20.460 0.000) 24.303 17.649 ( -21.202 -19.608 0.000) 28.879 18.224 ( 1.014 15.342 0.000) 15.376 18.252 ( -2.150 15.103 0.000) 15.255 19.979 ( 2.721 -15.322 0.000) 15.561 20.004 ( -0.199 -16.647 0.000) 16.648 22.218 ( 5.442 3.653 0.000) 6.554 22.353 ( -7.945 5.689 0.000) 9.772 22.414 ( 5.821 2.219 0.000) 6.230 22.522 ( -4.915 5.452 0.000) 7.341 24.044 ( 1.240 -0.025 0.000) 1.240 24.084 ( -2.524 -4.798 0.000) 5.422 24.486 ( 5.260 -13.792 0.000) 14.761 24.531 ( 0.574 -17.033 0.000) 17.043 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 0.000 8.371 0.000) 8.371 2.749 ( 0.000 17.853 0.000) 17.853 2.839 ( 0.000 3.080 0.000) 3.080 2.958 ( 0.000 6.170 0.000) 6.170 2.983 ( 0.000 -3.612 0.000) 3.612 3.020 ( 0.000 7.953 0.000) 7.953 3.086 ( 0.000 9.689 0.000) 9.689 3.201 ( 0.000 7.029 0.000) 7.029 3.247 ( 0.000 3.655 0.000) 3.655 3.444 ( 0.000 7.982 0.000) 7.982 3.508 ( 0.000 0.005 0.000) 0.005 3.511 ( 0.000 1.320 0.000) 1.320 3.623 ( 0.000 2.611 0.000) 2.611 3.651 ( 0.000 8.669 0.000) 8.669 3.693 ( 0.000 -4.528 0.000) 4.528 4.018 ( 0.000 0.573 0.000) 0.573 4.211 ( 0.000 5.580 0.000) 5.580 4.279 ( 0.000 21.838 0.000) 21.838 4.340 ( 0.000 7.490 0.000) 7.490 4.579 ( 0.000 11.318 0.000) 11.318 4.923 ( 0.000 7.079 0.000) 7.079 4.967 ( 0.000 -0.534 0.000) 0.534 5.148 ( 0.000 5.061 0.000) 5.061 5.224 ( 0.000 6.475 0.000) 6.475 5.764 ( 0.000 5.172 0.000) 5.172 5.919 ( 0.000 0.643 0.000) 0.643 6.022 ( 0.000 2.521 0.000) 2.521 6.172 ( 0.000 1.551 0.000) 1.551 6.941 ( 0.000 3.626 0.000) 3.626 7.136 ( 0.000 6.869 0.000) 6.869 7.137 ( 0.000 -0.844 0.000) 0.844 7.198 ( 0.000 7.434 0.000) 7.434 7.215 ( 0.000 2.917 0.000) 2.917 7.546 ( 0.000 2.462 0.000) 2.462 7.569 ( 0.000 12.122 0.000) 12.122 7.773 ( 0.000 6.449 0.000) 6.449 8.017 ( 0.000 9.316 0.000) 9.316 8.236 ( 0.000 -0.978 0.000) 0.978 8.391 ( 0.000 9.470 0.000) 9.470 8.777 ( 0.000 10.913 0.000) 10.913 8.887 ( 0.000 16.996 0.000) 16.996 8.903 ( 0.000 9.873 0.000) 9.873 9.060 ( 0.000 2.539 0.000) 2.539 9.303 ( 0.000 20.432 0.000) 20.432 9.602 ( 0.000 4.255 0.000) 4.255 9.712 ( 0.000 0.575 0.000) 0.575 9.768 ( 0.000 -25.431 0.000) 25.431 9.857 ( 0.000 1.071 0.000) 1.071 10.022 ( 0.000 -25.544 0.000) 25.544 10.184 ( 0.000 3.834 0.000) 3.834 10.211 ( 0.000 -1.490 0.000) 1.490 10.212 ( 0.000 -0.789 0.000) 0.789 10.468 ( 0.000 -1.350 0.000) 1.350 10.675 ( 0.000 -5.052 0.000) 5.052 10.868 ( 0.000 20.388 0.000) 20.388 10.918 ( 0.000 11.340 0.000) 11.340 10.939 ( 0.000 -4.989 0.000) 4.989 10.975 ( 0.000 -0.591 0.000) 0.591 11.360 ( 0.000 -1.257 0.000) 1.257 11.577 ( 0.000 20.106 0.000) 20.106 11.577 ( 0.000 10.758 0.000) 10.758 12.072 ( 0.000 19.272 0.000) 19.272 12.133 ( 0.000 0.704 0.000) 0.704 12.436 ( 0.000 13.039 0.000) 13.039 12.486 ( 0.000 -0.418 0.000) 0.418 12.644 ( 0.000 17.283 0.000) 17.283 12.701 ( 0.000 -3.731 0.000) 3.731 13.103 ( 0.000 -18.254 0.000) 18.254 13.106 ( 0.000 13.001 0.000) 13.001 13.504 ( 0.000 -8.988 0.000) 8.988 13.527 ( 0.000 -2.861 0.000) 2.861 13.888 ( 0.000 -7.114 0.000) 7.114 14.877 ( 0.000 -6.356 0.000) 6.356 14.887 ( 0.000 -4.074 0.000) 4.074 15.017 ( 0.000 -2.977 0.000) 2.977 15.650 ( 0.000 -14.290 0.000) 14.290 15.995 ( 0.000 18.324 0.000) 18.324 16.152 ( 0.000 9.763 0.000) 9.763 16.263 ( 0.000 6.370 0.000) 6.370 16.329 ( 0.000 3.835 0.000) 3.835 16.733 ( 0.000 -10.546 0.000) 10.546 16.954 ( 0.000 0.803 0.000) 0.803 17.062 ( 0.000 1.791 0.000) 1.791 17.840 ( 0.000 -21.124 0.000) 21.124 18.504 ( 0.000 15.152 0.000) 15.152 18.604 ( 0.000 12.261 0.000) 12.261 19.601 ( 0.000 -11.490 0.000) 11.490 19.660 ( 0.000 -16.538 0.000) 16.538 22.060 ( 0.000 -3.094 0.000) 3.094 22.210 ( 0.000 -5.188 0.000) 5.188 22.556 ( 0.000 -4.739 0.000) 4.739 22.689 ( 0.000 -2.920 0.000) 2.920 24.022 ( 0.000 -4.981 0.000) 4.981 24.138 ( 0.000 -0.086 0.000) 0.086 24.150 ( 0.000 -10.759 0.000) 10.759 24.171 ( 0.000 -0.595 0.000) 0.595 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -6.850 2.736 0.000) 7.376 2.700 ( -4.442 17.654 0.000) 18.204 2.792 ( 0.491 13.886 0.000) 13.895 2.936 ( -2.207 7.984 0.000) 8.283 3.022 ( 0.396 6.130 0.000) 6.142 3.081 ( 2.126 0.098 0.000) 2.128 3.110 ( 2.203 7.403 0.000) 7.724 3.243 ( 5.941 3.301 0.000) 6.796 3.259 ( 0.607 5.076 0.000) 5.112 3.421 ( -1.761 6.889 0.000) 7.111 3.500 ( -0.790 4.118 0.000) 4.194 3.509 ( -0.130 -0.655 0.000) 0.668 3.666 ( 2.281 -2.486 0.000) 3.373 3.686 ( 3.144 7.351 0.000) 7.995 3.763 ( 8.259 -2.546 0.000) 8.642 4.002 ( -1.940 0.750 0.000) 2.080 4.169 ( -3.587 6.792 0.000) 7.681 4.209 ( -4.451 18.101 0.000) 18.640 4.305 ( -3.277 7.364 0.000) 8.060 4.561 ( -5.215 9.292 0.000) 10.655 4.904 ( 3.000 6.881 0.000) 7.506 5.064 ( 6.406 4.168 0.000) 7.643 5.155 ( -0.033 6.872 0.000) 6.872 5.243 ( 1.760 6.499 0.000) 6.733 5.760 ( -0.249 4.070 0.000) 4.078 5.892 ( -2.559 0.610 0.000) 2.631 6.040 ( 1.146 0.417 0.000) 1.219 6.139 ( -2.862 0.956 0.000) 3.018 6.998 ( 0.848 2.053 0.000) 2.222 7.064 ( 3.708 5.854 0.000) 6.929 7.097 ( -4.800 7.833 0.000) 9.187 7.229 ( 4.755 5.260 0.000) 7.091 7.396 ( 11.001 -0.782 0.000) 11.028 7.529 ( 1.906 4.653 0.000) 5.028 7.671 ( 4.434 8.630 0.000) 9.702 7.739 ( -2.519 7.896 0.000) 8.288 7.912 ( -6.901 5.977 0.000) 9.129 8.154 ( -7.274 1.970 0.000) 7.536 8.573 ( 13.058 12.261 0.000) 17.912 8.776 ( -0.485 12.237 0.000) 12.247 8.879 ( -1.748 10.801 0.000) 10.941 8.938 ( 5.612 15.566 0.000) 16.547 9.005 ( -4.915 2.379 0.000) 5.461 9.353 ( 3.870 16.689 0.000) 17.132 9.688 ( 8.182 3.106 0.000) 8.752 9.773 ( 0.911 -21.573 0.000) 21.593 9.809 ( -2.968 5.800 0.000) 6.515 9.855 ( 12.883 1.452 0.000) 12.964 10.010 ( -0.449 -27.796 0.000) 27.800 10.090 ( -7.223 0.631 0.000) 7.251 10.157 ( -4.716 9.700 0.000) 10.786 10.249 ( -0.068 -5.799 0.000) 5.800 10.447 ( -0.787 -8.294 0.000) 8.331 10.526 ( -11.920 0.675 0.000) 11.939 10.796 ( -8.805 -10.757 0.000) 13.901 10.931 ( 1.263 10.337 0.000) 10.414 10.959 ( 4.548 8.337 0.000) 9.497 11.073 ( 6.506 13.255 0.000) 14.766 11.216 ( -13.952 -0.046 0.000) 13.952 11.537 ( -4.464 12.060 0.000) 12.859 11.633 ( 5.567 17.601 0.000) 18.461 12.023 ( -1.061 9.326 0.000) 9.386 12.190 ( 0.019 11.067 0.000) 11.067 12.348 ( -5.846 9.012 0.000) 10.742 12.477 ( -6.880 6.727 0.000) 9.622 12.565 ( 4.996 3.779 0.000) 6.264 12.775 ( 0.904 3.953 0.000) 4.055 12.874 ( -12.004 0.144 0.000) 12.005 13.296 ( 8.324 -5.193 0.000) 9.811 13.472 ( -0.085 -5.743 0.000) 5.744 13.649 ( 8.111 -5.676 0.000) 9.900 13.898 ( 0.597 -6.892 0.000) 6.917 14.896 ( 0.895 -3.688 0.000) 3.795 14.980 ( 9.653 -7.177 0.000) 12.029 15.001 ( -1.519 -2.791 0.000) 3.177 15.597 ( -5.449 -13.611 0.000) 14.661 16.025 ( 2.780 17.504 0.000) 17.723 16.144 ( -0.710 9.826 0.000) 9.852 16.270 ( 0.564 6.694 0.000) 6.718 16.315 ( -1.221 4.129 0.000) 4.306 16.792 ( 6.112 -10.400 0.000) 12.063 16.967 ( 1.269 0.693 0.000) 1.446 17.053 ( -0.866 1.681 0.000) 1.891 17.676 ( -15.460 -18.551 0.000) 24.148 18.509 ( 0.563 15.149 0.000) 15.159 18.582 ( -1.736 13.749 0.000) 13.858 19.635 ( 2.612 -13.337 0.000) 13.591 19.665 ( 0.532 -16.474 0.000) 16.483 22.098 ( 3.830 -3.070 0.000) 4.909 22.260 ( 4.762 -5.105 0.000) 6.982 22.497 ( -5.681 -4.236 0.000) 7.086 22.644 ( -4.437 -3.401 0.000) 5.590 24.014 ( -0.178 -4.003 0.000) 4.007 24.091 ( -2.492 1.159 0.000) 2.748 24.199 ( 3.873 -10.775 0.000) 11.450 24.231 ( 3.482 -3.913 0.000) 5.238 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -1.159 9.887 0.000) 9.954 2.607 ( -4.084 15.521 0.000) 16.049 2.825 ( 2.481 12.734 0.000) 12.973 2.881 ( -3.066 10.418 0.000) 10.860 3.039 ( 1.316 4.168 0.000) 4.371 3.071 ( -1.705 2.421 0.000) 2.961 3.169 ( 3.835 8.846 0.000) 9.641 3.241 ( -2.753 8.207 0.000) 8.657 3.363 ( 4.331 1.224 0.000) 4.501 3.399 ( -0.430 3.669 0.000) 3.695 3.486 ( -0.336 1.533 0.000) 1.569 3.497 ( -1.029 -1.679 0.000) 1.969 3.715 ( 2.831 2.563 0.000) 3.818 3.742 ( 1.285 5.884 0.000) 6.023 3.932 ( 4.340 -5.262 0.000) 6.820 3.951 ( -1.779 1.864 0.000) 2.577 4.144 ( 4.969 8.301 0.000) 9.675 4.174 ( 0.895 10.716 0.000) 10.754 4.232 ( -3.469 8.160 0.000) 8.867 4.368 ( -12.696 4.731 0.000) 13.549 5.018 ( 6.573 11.253 0.000) 13.032 5.121 ( -3.625 10.125 0.000) 10.754 5.191 ( 5.884 6.430 0.000) 8.716 5.263 ( -0.883 7.170 0.000) 7.224 5.768 ( 1.614 1.389 0.000) 2.129 5.826 ( -3.802 0.129 0.000) 3.804 6.056 ( 0.772 -1.506 0.000) 1.693 6.084 ( -2.257 -0.700 0.000) 2.363 6.970 ( -0.278 6.268 0.000) 6.274 7.004 ( -3.691 7.422 0.000) 8.289 7.287 ( 13.136 1.245 0.000) 13.195 7.346 ( 5.587 1.509 0.000) 5.787 7.511 ( -0.067 5.352 0.000) 5.352 7.577 ( -1.110 8.410 0.000) 8.483 7.667 ( -2.080 1.733 0.000) 2.707 7.718 ( -2.297 2.815 0.000) 3.634 7.854 ( 4.712 7.836 0.000) 9.144 8.003 ( -7.640 8.225 0.000) 11.226 8.753 ( 4.276 17.712 0.000) 18.221 8.766 ( 0.099 14.066 0.000) 14.067 8.840 ( -0.832 3.871 0.000) 3.959 8.899 ( -5.197 3.608 0.000) 6.327 9.147 ( 13.840 14.888 0.000) 20.327 9.357 ( -5.557 11.150 0.000) 12.458 9.805 ( 5.016 10.365 0.000) 11.515 9.816 ( 4.158 -8.549 0.000) 9.507 9.921 ( 12.087 -4.591 0.000) 12.929 9.940 ( -5.938 3.677 0.000) 6.984 9.987 ( -9.868 11.695 0.000) 15.302 10.030 ( 3.470 -22.546 0.000) 22.811 10.062 ( -0.372 -7.016 0.000) 7.026 10.234 ( -12.151 -0.051 0.000) 12.151 10.350 ( 10.066 -7.073 0.000) 12.302 10.461 ( 1.174 -12.264 0.000) 12.320 10.656 ( -3.075 -9.739 0.000) 10.213 10.857 ( -19.671 -1.465 0.000) 19.726 10.967 ( 1.448 8.150 0.000) 8.277 10.992 ( -0.440 4.745 0.000) 4.765 11.234 ( 9.142 18.194 0.000) 20.362 11.408 ( -8.166 15.180 0.000) 17.237 11.786 ( 9.726 14.445 0.000) 17.414 11.986 ( -8.105 10.833 0.000) 13.530 12.125 ( 1.403 10.824 0.000) 10.915 12.226 ( -6.442 9.257 0.000) 11.278 12.492 ( 6.021 4.415 0.000) 7.466 12.647 ( -5.895 3.288 0.000) 6.750 12.668 ( 0.535 3.108 0.000) 3.154 12.743 ( -3.336 3.715 0.000) 4.993 13.424 ( 4.525 -6.709 0.000) 8.093 13.473 ( -0.706 -6.533 0.000) 6.571 13.802 ( 6.586 -5.540 0.000) 8.606 13.888 ( -2.179 -6.233 0.000) 6.603 14.922 ( 1.785 -2.951 0.000) 3.449 14.963 ( -2.205 -2.588 0.000) 3.400 15.210 ( 12.641 -9.242 0.000) 15.659 15.441 ( -10.267 -11.715 0.000) 15.577 16.086 ( 2.839 14.628 0.000) 14.901 16.125 ( -1.288 11.169 0.000) 11.243 16.280 ( 0.426 6.665 0.000) 6.679 16.292 ( -0.928 5.348 0.000) 5.428 16.974 ( 9.640 -5.777 0.000) 11.238 17.007 ( 5.642 -4.215 0.000) 7.043 17.029 ( -1.586 1.446 0.000) 2.147 17.315 ( -19.146 -13.661 0.000) 23.520 18.525 ( 1.047 15.112 0.000) 15.149 18.550 ( -1.476 14.866 0.000) 14.939 19.673 ( 0.995 -15.435 0.000) 15.468 19.677 ( 0.436 -16.231 0.000) 16.236 22.206 ( 6.939 -3.026 0.000) 7.570 22.357 ( -7.996 -3.381 0.000) 8.682 22.382 ( 7.268 -4.886 0.000) 8.758 22.527 ( -7.091 -4.303 0.000) 8.295 24.024 ( 1.022 -1.757 0.000) 2.033 24.050 ( -1.674 0.365 0.000) 1.714 24.266 ( 2.391 -10.130 0.000) 10.408 24.280 ( 1.068 -7.756 0.000) 7.829 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.743 ( 0.000 -0.828 0.000) 0.828 2.866 ( 0.000 -6.508 0.000) 6.508 2.996 ( 0.000 7.106 0.000) 7.106 3.039 ( 0.000 10.607 0.000) 10.607 3.050 ( 0.000 2.935 0.000) 2.935 3.192 ( 0.000 8.935 0.000) 8.935 3.220 ( 0.000 3.126 0.000) 3.126 3.294 ( 0.000 1.475 0.000) 1.475 3.326 ( 0.000 5.757 0.000) 5.757 3.505 ( 0.000 0.401 0.000) 0.401 3.556 ( 0.000 2.803 0.000) 2.803 3.562 ( 0.000 2.215 0.000) 2.215 3.574 ( 0.000 -6.138 0.000) 6.138 3.644 ( 0.000 -0.268 0.000) 0.268 3.792 ( 0.000 5.490 0.000) 5.490 3.970 ( 0.000 -4.444 0.000) 4.444 4.329 ( 0.000 5.905 0.000) 5.905 4.434 ( 0.000 2.010 0.000) 2.010 4.631 ( 0.000 13.623 0.000) 13.623 4.755 ( 0.000 6.323 0.000) 6.323 4.973 ( 0.000 0.872 0.000) 0.872 5.009 ( 0.000 1.453 0.000) 1.453 5.239 ( 0.000 3.959 0.000) 3.959 5.293 ( 0.000 1.471 0.000) 1.471 5.921 ( 0.000 9.157 0.000) 9.157 5.945 ( 0.000 1.866 0.000) 1.866 6.034 ( 0.000 -1.433 0.000) 1.433 6.168 ( 0.000 -2.168 0.000) 2.168 7.047 ( 0.000 7.494 0.000) 7.494 7.239 ( 0.000 -0.611 0.000) 0.611 7.248 ( 0.000 11.475 0.000) 11.475 7.270 ( 0.000 6.132 0.000) 6.132 7.320 ( 0.000 4.387 0.000) 4.387 7.692 ( 0.000 11.713 0.000) 11.713 7.778 ( 0.000 8.845 0.000) 8.845 7.792 ( 0.000 -5.444 0.000) 5.444 8.188 ( 0.000 -2.824 0.000) 2.824 8.214 ( 0.000 10.094 0.000) 10.094 8.518 ( 0.000 0.994 0.000) 0.994 8.648 ( 0.000 -19.497 0.000) 19.497 9.045 ( 0.000 3.399 0.000) 3.399 9.115 ( 0.000 -3.676 0.000) 3.676 9.292 ( 0.000 15.707 0.000) 15.707 9.344 ( 0.000 0.978 0.000) 0.978 9.488 ( 0.000 -0.108 0.000) 0.108 9.576 ( 0.000 -9.298 0.000) 9.298 9.711 ( 0.000 -1.816 0.000) 1.816 9.786 ( 0.000 12.588 0.000) 12.588 9.972 ( 0.000 2.621 0.000) 2.621 9.993 ( 0.000 -14.839 0.000) 14.839 10.137 ( 0.000 -3.732 0.000) 3.732 10.253 ( 0.000 0.683 0.000) 0.683 10.668 ( 0.000 0.402 0.000) 0.402 10.697 ( 0.000 -8.530 0.000) 8.530 10.746 ( 0.000 20.855 0.000) 20.855 10.976 ( 0.000 4.989 0.000) 4.989 11.086 ( 0.000 5.379 0.000) 5.379 11.268 ( 0.000 7.181 0.000) 7.181 11.290 ( 0.000 -4.706 0.000) 4.706 11.543 ( 0.000 -11.229 0.000) 11.229 11.970 ( 0.000 17.763 0.000) 17.763 12.206 ( 0.000 6.743 0.000) 6.743 12.411 ( 0.000 -6.188 0.000) 6.188 12.486 ( 0.000 10.528 0.000) 10.528 12.622 ( 0.000 3.660 0.000) 3.660 12.669 ( 0.000 8.940 0.000) 8.940 12.828 ( 0.000 -8.404 0.000) 8.404 12.900 ( 0.000 6.679 0.000) 6.679 13.311 ( 0.000 8.900 0.000) 8.900 13.381 ( 0.000 -2.890 0.000) 2.890 13.457 ( 0.000 -4.128 0.000) 4.128 13.721 ( 0.000 -9.985 0.000) 9.985 14.775 ( 0.000 -3.526 0.000) 3.526 14.794 ( 0.000 -4.390 0.000) 4.390 15.023 ( 0.000 3.948 0.000) 3.948 15.385 ( 0.000 -12.483 0.000) 12.483 16.321 ( 0.000 12.510 0.000) 12.510 16.339 ( 0.000 8.287 0.000) 8.287 16.385 ( 0.000 5.500 0.000) 5.500 16.402 ( 0.000 3.235 0.000) 3.235 16.649 ( 0.000 2.211 0.000) 2.211 16.933 ( 0.000 -3.885 0.000) 3.885 17.116 ( 0.000 3.607 0.000) 3.607 17.469 ( 0.000 -15.883 0.000) 15.883 18.797 ( 0.000 14.537 0.000) 14.537 18.858 ( 0.000 12.929 0.000) 12.929 19.353 ( 0.000 -14.593 0.000) 14.593 19.361 ( 0.000 -12.630 0.000) 12.630 22.016 ( 0.000 -1.065 0.000) 1.065 22.101 ( 0.000 -5.144 0.000) 5.144 22.457 ( 0.000 -3.812 0.000) 3.812 22.565 ( 0.000 -7.785 0.000) 7.785 23.956 ( 0.000 -1.928 0.000) 1.928 24.003 ( 0.000 -4.796 0.000) 4.796 24.132 ( 0.000 -0.288 0.000) 0.288 24.155 ( 0.000 -1.092 0.000) 1.092 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -0.151 3.829 0.000) 3.832 2.960 ( 6.247 -6.437 0.000) 8.971 2.962 ( -3.251 8.499 0.000) 9.099 3.044 ( 0.654 9.284 0.000) 9.307 3.056 ( 0.363 3.060 0.000) 3.081 3.159 ( -2.826 8.646 0.000) 9.096 3.234 ( 1.637 2.648 0.000) 3.113 3.317 ( 1.937 1.383 0.000) 2.380 3.325 ( 0.643 4.676 0.000) 4.720 3.482 ( -2.452 -0.275 0.000) 2.467 3.522 ( -3.136 -3.483 0.000) 4.687 3.526 ( -2.733 1.639 0.000) 3.187 3.635 ( 5.909 1.073 0.000) 6.005 3.715 ( 5.749 -2.012 0.000) 6.091 3.804 ( 1.200 4.665 0.000) 4.817 3.961 ( -0.992 -3.991 0.000) 4.113 4.304 ( -1.929 6.340 0.000) 6.627 4.403 ( -2.814 2.369 0.000) 3.679 4.488 ( -8.995 10.621 0.000) 13.918 4.666 ( -10.423 1.655 0.000) 10.553 5.051 ( 9.683 7.367 0.000) 12.167 5.149 ( 8.301 3.152 0.000) 8.879 5.267 ( 2.215 4.461 0.000) 4.980 5.321 ( 2.448 1.917 0.000) 3.109 5.896 ( -2.384 8.324 0.000) 8.659 5.917 ( -2.643 1.729 0.000) 3.158 6.014 ( -1.481 -2.663 0.000) 3.048 6.130 ( -3.591 -2.221 0.000) 4.222 7.120 ( 5.659 8.902 0.000) 10.548 7.186 ( -0.521 6.766 0.000) 6.786 7.239 ( -4.311 6.009 0.000) 7.396 7.303 ( 0.591 2.295 0.000) 2.370 7.388 ( 9.501 1.087 0.000) 9.563 7.704 ( 3.116 13.583 0.000) 13.936 7.777 ( -0.076 -5.244 0.000) 5.244 7.853 ( 2.891 8.730 0.000) 9.196 8.096 ( -7.647 12.739 0.000) 14.858 8.151 ( -2.945 -1.835 0.000) 3.470 8.640 ( -0.806 -20.238 0.000) 20.254 8.687 ( 10.188 -6.373 0.000) 12.017 9.021 ( -0.957 4.464 0.000) 4.566 9.149 ( 3.284 0.936 0.000) 3.415 9.239 ( -3.902 14.278 0.000) 14.802 9.447 ( 9.999 3.643 0.000) 10.642 9.475 ( -3.388 -4.345 0.000) 5.510 9.632 ( 6.273 -2.434 0.000) 6.728 9.822 ( 3.577 8.300 0.000) 9.038 9.835 ( 11.382 -4.144 0.000) 12.113 9.913 ( -2.065 0.800 0.000) 2.215 10.054 ( 3.230 -11.382 0.000) 11.831 10.123 ( -0.881 -1.561 0.000) 1.792 10.197 ( -5.096 1.961 0.000) 5.461 10.537 ( -11.220 -0.747 0.000) 11.245 10.588 ( -8.936 -9.136 0.000) 12.779 10.650 ( -9.669 19.885 0.000) 22.111 11.029 ( 3.841 6.277 0.000) 7.359 11.069 ( -3.370 2.610 0.000) 4.262 11.181 ( -9.336 -1.182 0.000) 9.410 11.342 ( 5.753 5.022 0.000) 7.637 11.547 ( -0.132 -9.482 0.000) 9.483 11.996 ( 2.732 16.366 0.000) 16.592 12.156 ( -2.979 6.675 0.000) 7.310 12.386 ( -2.499 -4.006 0.000) 4.721 12.471 ( -6.657 -5.722 0.000) 8.778 12.557 ( 0.263 20.793 0.000) 20.795 12.696 ( 2.583 7.300 0.000) 7.744 12.774 ( -4.705 -4.345 0.000) 6.405 12.899 ( -1.345 4.915 0.000) 5.096 13.343 ( 2.766 6.480 0.000) 7.046 13.395 ( 1.439 -1.151 0.000) 1.843 13.538 ( 6.677 -5.992 0.000) 8.972 13.731 ( 0.726 -10.094 0.000) 10.120 14.818 ( 2.498 -3.228 0.000) 4.082 14.857 ( 7.564 -4.832 0.000) 8.976 15.004 ( -1.859 3.513 0.000) 3.975 15.343 ( -4.253 -11.905 0.000) 12.642 16.325 ( 0.187 10.927 0.000) 10.928 16.330 ( -0.635 8.339 0.000) 8.363 16.394 ( 0.691 5.270 0.000) 5.316 16.401 ( -0.005 4.134 0.000) 4.134 16.703 ( 5.559 1.662 0.000) 5.802 16.950 ( 1.718 -3.376 0.000) 3.788 17.098 ( -1.752 2.668 0.000) 3.192 17.363 ( -10.033 -12.800 0.000) 16.264 18.802 ( 0.498 14.492 0.000) 14.501 18.850 ( -0.690 13.312 0.000) 13.330 19.359 ( 0.533 -14.649 0.000) 14.659 19.370 ( 0.690 -13.421 0.000) 13.439 22.052 ( 3.584 -1.158 0.000) 3.766 22.146 ( 4.373 -5.557 0.000) 7.071 22.407 ( -4.777 -3.381 0.000) 5.852 22.518 ( -4.571 -7.633 0.000) 8.897 23.966 ( 1.356 -1.075 0.000) 1.730 24.044 ( 3.455 -5.436 0.000) 6.441 24.104 ( -2.022 0.563 0.000) 2.098 24.167 ( 0.453 -2.747 0.000) 2.784 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 4.627 9.435 0.000) 10.508 2.872 ( -5.678 10.936 0.000) 12.322 3.037 ( 1.676 4.581 0.000) 4.878 3.057 ( -0.405 4.218 0.000) 4.237 3.072 ( 1.810 1.958 0.000) 2.666 3.105 ( -2.149 5.813 0.000) 6.197 3.294 ( 4.314 2.629 0.000) 5.052 3.351 ( 0.527 2.967 0.000) 3.013 3.362 ( 2.709 -0.254 0.000) 2.721 3.414 ( -3.681 -2.148 0.000) 4.262 3.464 ( -2.334 -2.891 0.000) 3.715 3.467 ( -2.683 -1.444 0.000) 3.047 3.761 ( 6.004 1.852 0.000) 6.283 3.824 ( -0.089 2.723 0.000) 2.725 3.836 ( 5.582 -3.544 0.000) 6.612 3.921 ( -3.272 -3.124 0.000) 4.524 4.294 ( 2.084 6.304 0.000) 6.640 4.352 ( -1.286 3.805 0.000) 4.016 4.353 ( -4.140 7.271 0.000) 8.367 4.445 ( -10.367 2.629 0.000) 10.695 5.222 ( 6.266 8.557 0.000) 10.606 5.289 ( -0.782 6.589 0.000) 6.636 5.302 ( 6.649 4.136 0.000) 7.830 5.363 ( 0.629 2.864 0.000) 2.932 5.846 ( -1.828 5.790 0.000) 6.071 5.856 ( -2.737 2.628 0.000) 3.795 6.003 ( 0.780 -3.732 0.000) 3.813 6.050 ( -3.820 -2.946 0.000) 4.823 7.130 ( -0.421 9.165 0.000) 9.174 7.156 ( -3.146 7.378 0.000) 8.021 7.298 ( 5.269 -0.148 0.000) 5.271 7.326 ( 0.927 -2.153 0.000) 2.344 7.572 ( 9.751 3.880 0.000) 10.494 7.773 ( -6.250 9.098 0.000) 11.038 7.814 ( 3.058 14.100 0.000) 14.428 7.857 ( 6.671 0.387 0.000) 6.682 7.968 ( -3.779 11.972 0.000) 12.554 8.075 ( -6.552 -0.741 0.000) 6.593 8.652 ( 3.214 -19.300 0.000) 19.565 8.743 ( -3.817 -17.269 0.000) 17.686 9.072 ( 5.126 13.136 0.000) 14.101 9.163 ( -4.004 13.940 0.000) 14.503 9.245 ( 6.289 -0.992 0.000) 6.367 9.374 ( -6.300 -4.163 0.000) 7.551 9.691 ( 11.942 6.970 0.000) 13.827 9.759 ( 4.383 1.057 0.000) 4.508 9.879 ( 3.318 0.734 0.000) 3.398 9.961 ( -2.462 -4.351 0.000) 4.999 9.992 ( 9.319 2.400 0.000) 9.623 10.079 ( -3.515 3.877 0.000) 5.234 10.101 ( 1.021 -7.550 0.000) 7.619 10.234 ( 3.959 -5.033 0.000) 6.404 10.279 ( -7.184 3.237 0.000) 7.880 10.413 ( -11.508 12.583 0.000) 17.052 10.486 ( 3.237 -7.665 0.000) 8.321 10.796 ( -20.460 -4.643 0.000) 20.980 11.087 ( 1.845 7.303 0.000) 7.533 11.107 ( -0.691 7.519 0.000) 7.551 11.448 ( 4.666 1.010 0.000) 4.774 11.521 ( -2.646 -4.464 0.000) 5.189 12.075 ( 4.910 11.496 0.000) 12.501 12.135 ( -0.203 5.003 0.000) 5.007 12.317 ( -5.537 2.909 0.000) 6.255 12.319 ( -3.728 -0.032 0.000) 3.728 12.605 ( 3.065 11.229 0.000) 11.640 12.675 ( -4.320 3.121 0.000) 5.330 12.766 ( 3.931 5.535 0.000) 6.789 12.845 ( -3.747 4.701 0.000) 6.012 13.396 ( 2.157 3.107 0.000) 3.782 13.416 ( 0.199 0.807 0.000) 0.831 13.665 ( 5.277 -8.361 0.000) 9.888 13.730 ( -1.395 -9.801 0.000) 9.899 14.881 ( 3.681 -0.468 0.000) 3.711 14.952 ( -3.315 2.065 0.000) 3.906 15.039 ( 10.015 -7.631 0.000) 12.591 15.221 ( -8.074 -10.210 0.000) 13.016 16.322 ( -0.149 8.386 0.000) 8.387 16.324 ( -0.226 8.819 0.000) 8.822 16.404 ( 0.230 4.985 0.000) 4.990 16.405 ( 0.262 4.986 0.000) 4.993 16.868 ( 11.048 -0.828 0.000) 11.079 16.996 ( 2.787 -1.850 0.000) 3.345 17.052 ( -2.857 0.426 0.000) 2.889 17.119 ( -13.637 -6.282 0.000) 15.014 18.815 ( 0.848 14.320 0.000) 14.345 18.834 ( -0.943 13.929 0.000) 13.961 19.371 ( 0.621 -14.723 0.000) 14.736 19.378 ( 0.024 -14.441 0.000) 14.442 22.151 ( 6.345 -1.604 0.000) 6.545 22.260 ( 6.864 -6.404 0.000) 9.388 22.287 ( -7.011 -2.447 0.000) 7.426 22.400 ( -7.001 -7.166 0.000) 10.018 24.007 ( 2.605 0.091 0.000) 2.607 24.059 ( -2.567 0.736 0.000) 2.671 24.114 ( 3.242 -5.730 0.000) 6.584 24.160 ( -1.339 -4.722 0.000) 4.909 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.765 ( 0.000 -3.285 0.000) 3.285 2.765 ( 0.000 3.286 0.000) 3.286 3.069 ( 0.000 -1.079 0.000) 1.079 3.069 ( 0.000 1.079 0.000) 1.079 3.200 ( 0.000 -5.080 0.000) 5.080 3.200 ( 0.000 5.080 0.000) 5.080 3.301 ( 0.000 -1.555 0.000) 1.555 3.301 ( 0.000 1.555 0.000) 1.555 3.439 ( 0.000 -6.123 0.000) 6.123 3.439 ( 0.000 6.123 0.000) 6.123 3.547 ( 0.000 -2.997 0.000) 2.997 3.547 ( 0.000 2.997 0.000) 2.997 3.618 ( 0.000 -2.246 0.000) 2.246 3.618 ( 0.000 2.246 0.000) 2.246 3.880 ( 0.000 -4.162 0.000) 4.162 3.880 ( 0.000 4.162 0.000) 4.162 4.422 ( 0.000 -3.044 0.000) 3.044 4.422 ( 0.000 3.044 0.000) 3.044 4.800 ( 0.000 -2.869 0.000) 2.869 4.800 ( 0.000 2.869 0.000) 2.869 4.996 ( 0.000 -1.591 0.000) 1.591 4.996 ( 0.000 1.591 0.000) 1.591 5.294 ( 0.000 -1.410 0.000) 1.410 5.294 ( 0.000 1.410 0.000) 1.410 5.989 ( 0.000 -2.524 0.000) 2.524 5.989 ( 0.000 2.524 0.000) 2.524 6.081 ( 0.000 -6.550 0.000) 6.550 6.081 ( 0.000 6.550 0.000) 6.550 7.183 ( 0.000 -5.197 0.000) 5.197 7.183 ( 0.000 5.197 0.000) 5.197 7.351 ( 0.000 -1.502 0.000) 1.502 7.351 ( 0.000 1.503 0.000) 1.503 7.552 ( 0.000 -16.987 0.000) 16.987 7.552 ( 0.000 16.988 0.000) 16.988 7.880 ( 0.000 -1.344 0.000) 1.344 7.880 ( 0.000 1.344 0.000) 1.344 8.250 ( 0.000 -14.452 0.000) 14.452 8.250 ( 0.000 14.453 0.000) 14.453 8.406 ( 0.000 -9.311 0.000) 9.311 8.406 ( 0.000 9.311 0.000) 9.311 9.048 ( 0.000 -1.103 0.000) 1.103 9.048 ( 0.000 1.104 0.000) 1.104 9.451 ( 0.000 -2.281 0.000) 2.281 9.451 ( 0.000 2.281 0.000) 2.281 9.569 ( 0.000 -12.102 0.000) 12.102 9.569 ( 0.000 12.102 0.000) 12.102 9.684 ( 0.000 -15.360 0.000) 15.360 9.684 ( 0.000 15.360 0.000) 15.360 9.964 ( 0.000 -4.338 0.000) 4.338 9.964 ( 0.000 4.338 0.000) 4.338 10.177 ( 0.000 -6.372 0.000) 6.372 10.177 ( 0.000 6.372 0.000) 6.372 10.637 ( 0.000 -1.510 0.000) 1.510 10.637 ( 0.000 1.510 0.000) 1.510 11.118 ( 0.000 -8.077 0.000) 8.077 11.118 ( 0.000 8.077 0.000) 8.077 11.180 ( 0.000 -12.029 0.000) 12.029 11.180 ( 0.000 12.029 0.000) 12.029 11.259 ( 0.000 -9.058 0.000) 9.058 11.259 ( 0.000 9.058 0.000) 9.058 12.253 ( 0.000 -10.854 0.000) 10.854 12.253 ( 0.000 10.854 0.000) 10.854 12.376 ( 0.000 -9.540 0.000) 9.540 12.376 ( 0.000 9.540 0.000) 9.540 12.755 ( 0.000 -1.198 0.000) 1.198 12.755 ( 0.000 1.198 0.000) 1.198 12.873 ( 0.000 -9.269 0.000) 9.269 12.873 ( 0.000 9.269 0.000) 9.269 13.385 ( 0.000 -2.569 0.000) 2.569 13.385 ( 0.000 2.569 0.000) 2.569 13.506 ( 0.000 -11.096 0.000) 11.096 13.506 ( 0.000 11.096 0.000) 11.096 14.744 ( 0.000 -0.467 0.000) 0.467 14.744 ( 0.000 0.467 0.000) 0.467 15.163 ( 0.000 -9.727 0.000) 9.727 15.163 ( 0.000 9.727 0.000) 9.727 16.436 ( 0.000 -0.596 0.000) 0.596 16.436 ( 0.000 0.596 0.000) 0.596 16.439 ( 0.000 -1.050 0.000) 1.050 16.439 ( 0.000 1.050 0.000) 1.050 16.794 ( 0.000 -9.442 0.000) 9.442 16.794 ( 0.000 9.443 0.000) 9.443 17.227 ( 0.000 -8.553 0.000) 8.553 17.227 ( 0.000 8.553 0.000) 8.553 19.076 ( 0.000 -13.877 0.000) 13.877 19.076 ( 0.000 13.877 0.000) 13.877 19.110 ( 0.000 -12.753 0.000) 12.753 19.110 ( 0.000 12.753 0.000) 12.753 22.026 ( 0.000 -2.213 0.000) 2.213 22.026 ( 0.000 2.213 0.000) 2.213 22.446 ( 0.000 -3.129 0.000) 3.129 22.446 ( 0.000 3.129 0.000) 3.129 23.946 ( 0.000 -1.090 0.000) 1.090 23.946 ( 0.000 1.090 0.000) 1.090 24.135 ( 0.000 -0.684 0.000) 0.684 24.135 ( 0.000 0.684 0.000) 0.684 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.818 ( 5.096 -6.506 0.000) 8.264 2.818 ( 5.096 6.506 0.000) 8.264 3.061 ( -0.888 -2.235 0.000) 2.405 3.061 ( -0.888 2.235 0.000) 2.405 3.204 ( 0.476 -5.471 0.000) 5.492 3.204 ( 0.476 5.471 0.000) 5.492 3.300 ( -0.241 -3.989 0.000) 3.996 3.300 ( -0.241 3.989 0.000) 3.997 3.422 ( -1.220 -5.240 0.000) 5.380 3.422 ( -1.220 5.240 0.000) 5.380 3.505 ( -3.881 -2.617 0.000) 4.680 3.505 ( -3.881 2.617 0.000) 4.680 3.676 ( 5.224 -2.175 0.000) 5.659 3.676 ( 5.224 2.175 0.000) 5.659 3.882 ( 0.020 -3.695 0.000) 3.695 3.882 ( 0.020 3.695 0.000) 3.695 4.398 ( -1.990 -2.767 0.000) 3.408 4.398 ( -1.990 2.767 0.000) 3.408 4.637 ( -10.857 -4.533 0.000) 11.765 4.637 ( -10.857 4.533 0.000) 11.765 5.157 ( 10.496 -2.664 0.000) 10.829 5.157 ( 10.496 2.664 0.000) 10.829 5.326 ( 2.798 -1.411 0.000) 3.133 5.326 ( 2.798 1.411 0.000) 3.133 5.959 ( -2.528 -2.543 0.000) 3.585 5.959 ( -2.528 2.543 0.000) 3.586 6.046 ( -3.452 -6.257 0.000) 7.146 6.046 ( -3.452 6.257 0.000) 7.146 7.240 ( 3.836 -2.839 0.000) 4.773 7.240 ( 3.836 2.839 0.000) 4.773 7.315 ( -2.868 -1.481 0.000) 3.228 7.315 ( -2.868 1.481 0.000) 3.228 7.557 ( 2.684 -14.615 0.000) 14.860 7.557 ( 2.684 14.616 0.000) 14.860 7.948 ( 5.432 -4.404 0.000) 6.993 7.948 ( 5.432 4.404 0.000) 6.993 8.214 ( -3.427 -16.263 0.000) 16.620 8.214 ( -3.427 16.263 0.000) 16.620 8.390 ( -1.988 -16.922 0.000) 17.038 8.390 ( -1.988 16.922 0.000) 17.038 9.118 ( 5.950 -3.979 0.000) 7.158 9.118 ( 5.950 3.980 0.000) 7.158 9.407 ( -3.537 -3.468 0.000) 4.953 9.407 ( -3.537 3.468 0.000) 4.954 9.664 ( 9.301 -12.042 0.000) 15.216 9.664 ( 9.301 12.042 0.000) 15.216 9.743 ( 4.938 -11.953 0.000) 12.933 9.743 ( 4.938 11.953 0.000) 12.933 9.954 ( -0.283 -3.840 0.000) 3.850 9.954 ( -0.283 3.840 0.000) 3.850 10.170 ( -0.301 -4.964 0.000) 4.973 10.170 ( -0.301 4.964 0.000) 4.973 10.503 ( -11.377 -1.201 0.000) 11.440 10.503 ( -11.377 1.201 0.000) 11.440 10.989 ( -12.353 -10.872 0.000) 16.456 10.989 ( -12.353 10.872 0.000) 16.456 11.236 ( 4.139 -12.003 0.000) 12.697 11.236 ( 4.139 12.004 0.000) 12.697 11.286 ( 1.854 -12.436 0.000) 12.573 11.286 ( 1.854 12.436 0.000) 12.573 12.252 ( -0.240 -9.809 0.000) 9.812 12.252 ( -0.240 9.809 0.000) 9.812 12.316 ( -4.608 -8.919 0.000) 10.040 12.316 ( -4.608 8.920 0.000) 10.040 12.759 ( 0.556 -1.046 0.000) 1.184 12.759 ( 0.556 1.046 0.000) 1.185 12.867 ( -0.922 -9.106 0.000) 9.152 12.867 ( -0.923 9.106 0.000) 9.153 13.430 ( 3.750 -4.266 0.000) 5.680 13.430 ( 3.750 4.267 0.000) 5.680 13.516 ( 0.874 -10.805 0.000) 10.840 13.516 ( 0.874 10.805 0.000) 10.840 14.796 ( 5.012 -1.139 0.000) 5.140 14.796 ( 5.012 1.140 0.000) 5.140 15.134 ( -3.028 -9.090 0.000) 9.581 15.134 ( -3.028 9.090 0.000) 9.581 16.435 ( -0.072 -1.487 0.000) 1.489 16.435 ( -0.072 1.487 0.000) 1.489 16.438 ( -0.118 -1.716 0.000) 1.720 16.438 ( -0.118 1.716 0.000) 1.720 16.828 ( 3.395 -8.297 0.000) 8.965 16.828 ( 3.395 8.297 0.000) 8.965 17.177 ( -4.834 -6.202 0.000) 7.863 17.177 ( -4.834 6.202 0.000) 7.863 19.081 ( 0.446 -13.896 0.000) 13.903 19.081 ( 0.446 13.896 0.000) 13.903 19.109 ( -0.146 -13.084 0.000) 13.085 19.109 ( -0.146 13.084 0.000) 13.085 22.064 ( 3.686 -2.497 0.000) 4.452 22.064 ( 3.686 2.497 0.000) 4.452 22.402 ( -4.342 -3.153 0.000) 5.366 22.402 ( -4.342 3.153 0.000) 5.366 23.973 ( 2.504 -1.896 0.000) 3.141 23.973 ( 2.504 1.896 0.000) 3.141 24.124 ( -1.144 -1.579 0.000) 1.950 24.124 ( -1.144 1.579 0.000) 1.950 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.938 ( 6.118 -7.897 0.000) 9.990 2.938 ( 6.118 7.897 0.000) 9.990 3.027 ( -2.856 -4.861 0.000) 5.638 3.027 ( -2.856 4.861 0.000) 5.638 3.227 ( 2.110 -7.219 0.000) 7.521 3.227 ( 2.110 7.219 0.000) 7.521 3.279 ( -2.295 -8.485 0.000) 8.790 3.279 ( -2.295 8.485 0.000) 8.790 3.405 ( -0.317 -3.004 0.000) 3.021 3.405 ( -0.317 3.004 0.000) 3.021 3.426 ( -2.993 -2.400 0.000) 3.836 3.426 ( -2.993 2.400 0.000) 3.836 3.791 ( 5.670 -1.477 0.000) 5.860 3.791 ( 5.670 1.477 0.000) 5.860 3.868 ( -1.941 -2.195 0.000) 2.930 3.868 ( -1.941 2.195 0.000) 2.930 4.375 ( 0.569 -1.569 0.000) 1.669 4.375 ( 0.569 1.569 0.000) 1.669 4.450 ( -7.262 -2.365 0.000) 7.637 4.450 ( -7.262 2.365 0.000) 7.637 5.328 ( 6.005 -1.947 0.000) 6.313 5.328 ( 6.005 1.947 0.000) 6.313 5.373 ( 1.006 -1.896 0.000) 2.147 5.373 ( 1.006 1.897 0.000) 2.147 5.923 ( -0.242 -3.994 0.000) 4.001 5.923 ( -0.242 3.994 0.000) 4.001 5.965 ( -4.028 -5.575 0.000) 6.878 5.965 ( -4.028 5.575 0.000) 6.878 7.266 ( -0.433 -3.800 0.000) 3.824 7.266 ( -0.433 3.800 0.000) 3.824 7.270 ( -1.273 -4.007 0.000) 4.204 7.270 ( -1.273 4.007 0.000) 4.204 7.720 ( 12.560 -10.107 0.000) 16.122 7.720 ( 12.560 10.108 0.000) 16.122 7.952 ( -8.230 -7.375 0.000) 11.051 7.952 ( -8.230 7.375 0.000) 11.051 8.203 ( 4.774 -21.628 0.000) 22.148 8.203 ( 4.774 21.628 0.000) 22.148 8.318 ( -5.324 -21.166 0.000) 21.826 8.318 ( -5.324 21.167 0.000) 21.826 9.236 ( 5.579 -2.981 0.000) 6.325 9.236 ( 5.579 2.981 0.000) 6.325 9.331 ( -4.203 -3.266 0.000) 5.323 9.331 ( -4.203 3.267 0.000) 5.323 9.838 ( 3.800 -6.667 0.000) 7.674 9.838 ( 3.800 6.667 0.000) 7.674 9.844 ( 5.064 -6.681 0.000) 8.383 9.844 ( 5.064 6.681 0.000) 8.383 9.999 ( 5.832 -1.029 0.000) 5.922 9.999 ( 5.832 1.029 0.000) 5.922 10.155 ( -5.953 -3.615 0.000) 6.965 10.155 ( -5.953 3.615 0.000) 6.965 10.355 ( 5.381 -5.243 0.000) 7.513 10.355 ( 5.381 5.243 0.000) 7.513 10.664 ( -19.372 -9.632 0.000) 21.635 10.664 ( -19.372 9.632 0.000) 21.635 11.300 ( 1.991 -12.560 0.000) 12.716 11.300 ( 1.991 12.560 0.000) 12.717 11.312 ( 0.570 -13.083 0.000) 13.096 11.312 ( 0.570 13.084 0.000) 13.096 12.243 ( -0.528 -6.755 0.000) 6.776 12.243 ( -0.528 6.755 0.000) 6.776 12.249 ( -1.693 -6.317 0.000) 6.540 12.249 ( -1.693 6.317 0.000) 6.540 12.785 ( 2.106 -4.477 0.000) 4.948 12.785 ( 2.106 4.478 0.000) 4.948 12.833 ( -2.404 -7.336 0.000) 7.720 12.833 ( -2.404 7.337 0.000) 7.720 13.499 ( 2.712 -7.276 0.000) 7.765 13.499 ( 2.712 7.276 0.000) 7.765 13.527 ( -0.200 -9.621 0.000) 9.623 13.527 ( -0.200 9.621 0.000) 9.623 14.919 ( 6.917 -4.252 0.000) 8.119 14.919 ( 6.917 4.253 0.000) 8.120 15.047 ( -5.711 -7.195 0.000) 9.186 15.047 ( -5.711 7.196 0.000) 9.187 16.434 ( -0.002 -2.331 0.000) 2.331 16.434 ( -0.002 2.331 0.000) 2.331 16.435 ( -0.119 -2.406 0.000) 2.409 16.435 ( -0.119 2.406 0.000) 2.409 16.923 ( 6.110 -4.770 0.000) 7.752 16.923 ( 6.110 4.770 0.000) 7.752 17.056 ( -6.986 -0.858 0.000) 7.038 17.056 ( -6.986 0.858 0.000) 7.038 19.092 ( 0.641 -13.877 0.000) 13.892 19.092 ( 0.641 13.877 0.000) 13.892 19.103 ( -0.466 -13.624 0.000) 13.632 19.103 ( -0.466 13.624 0.000) 13.632 22.163 ( 6.140 -2.935 0.000) 6.805 22.163 ( 6.140 2.935 0.000) 6.805 22.291 ( -6.520 -3.143 0.000) 7.239 22.291 ( -6.520 3.144 0.000) 7.239 24.032 ( 3.222 -2.628 0.000) 4.158 24.032 ( 3.222 2.628 0.000) 4.158 24.089 ( -2.408 -2.488 0.000) 3.462 24.089 ( -2.408 2.488 0.000) 3.462 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.624 ( 0.000 0.000 27.770) 27.770 0.817 ( 0.000 0.000 34.791) 34.791 1.284 ( 0.000 0.000 54.300) 54.300 1.834 ( 0.000 0.000 -24.443) 24.443 2.101 ( 0.000 0.000 -21.421) 21.421 2.404 ( 0.000 0.000 9.949) 9.949 2.482 ( 0.000 0.000 1.369) 1.369 2.483 ( 0.000 0.000 6.751) 6.751 2.779 ( 0.000 0.000 4.471) 4.471 2.792 ( 0.000 0.000 7.437) 7.437 2.911 ( 0.000 0.000 -1.882) 1.882 2.982 ( 0.000 0.000 -7.576) 7.576 3.110 ( 0.000 0.000 -2.883) 2.883 3.173 ( 0.000 0.000 3.033) 3.033 3.199 ( 0.000 0.000 -15.099) 15.099 3.267 ( 0.000 0.000 -1.045) 1.045 3.301 ( 0.000 0.000 6.489) 6.489 3.645 ( 0.000 0.000 -4.358) 4.358 3.679 ( 0.000 0.000 7.463) 7.463 4.097 ( 0.000 0.000 -6.349) 6.349 4.273 ( 0.000 0.000 6.325) 6.325 4.721 ( 0.000 0.000 -9.137) 9.137 4.767 ( 0.000 0.000 3.439) 3.439 4.900 ( 0.000 0.000 0.163) 0.163 4.915 ( 0.000 0.000 -0.399) 0.399 5.115 ( 0.000 0.000 -4.983) 4.983 5.185 ( 0.000 0.000 1.389) 1.389 5.256 ( 0.000 0.000 -1.131) 1.131 5.707 ( 0.000 0.000 0.389) 0.389 5.887 ( 0.000 0.000 -3.273) 3.273 6.527 ( 0.000 0.000 0.374) 0.374 6.590 ( 0.000 0.000 1.537) 1.537 6.962 ( 0.000 0.000 1.594) 1.594 7.102 ( 0.000 0.000 -2.004) 2.004 7.277 ( 0.000 0.000 1.044) 1.044 7.303 ( 0.000 0.000 -1.391) 1.391 7.585 ( 0.000 0.000 -1.577) 1.577 7.863 ( 0.000 0.000 -15.957) 15.957 7.905 ( 0.000 0.000 8.654) 8.654 8.058 ( 0.000 0.000 1.423) 1.423 8.147 ( 0.000 0.000 -1.676) 1.676 8.303 ( 0.000 0.000 5.621) 5.621 8.347 ( 0.000 0.000 -5.225) 5.225 8.549 ( 0.000 0.000 -5.238) 5.238 8.791 ( 0.000 0.000 4.659) 4.659 8.947 ( 0.000 0.000 1.183) 1.183 9.080 ( 0.000 0.000 -1.874) 1.874 9.223 ( 0.000 0.000 -6.356) 6.356 9.400 ( 0.000 0.000 19.180) 19.180 9.613 ( 0.000 0.000 7.119) 7.119 9.874 ( 0.000 0.000 -3.367) 3.367 9.962 ( 0.000 0.000 -5.463) 5.463 10.241 ( 0.000 0.000 2.878) 2.878 10.390 ( 0.000 0.000 10.440) 10.440 10.437 ( 0.000 0.000 -5.137) 5.137 10.927 ( 0.000 0.000 14.265) 14.265 11.060 ( 0.000 0.000 4.954) 4.954 11.167 ( 0.000 0.000 -18.933) 18.933 11.513 ( 0.000 0.000 -12.605) 12.605 11.523 ( 0.000 0.000 -1.632) 1.632 11.619 ( 0.000 0.000 -1.788) 1.788 11.882 ( 0.000 0.000 -12.928) 12.928 12.045 ( 0.000 0.000 5.517) 5.517 12.174 ( 0.000 0.000 1.504) 1.504 12.380 ( 0.000 0.000 12.788) 12.788 13.273 ( 0.000 0.000 18.353) 18.353 13.345 ( 0.000 0.000 -23.653) 23.653 13.374 ( 0.000 0.000 16.851) 16.851 13.470 ( 0.000 0.000 1.755) 1.755 13.679 ( 0.000 0.000 -10.959) 10.959 14.048 ( 0.000 0.000 -10.843) 10.843 14.094 ( 0.000 0.000 -10.092) 10.092 14.453 ( 0.000 0.000 4.146) 4.146 14.609 ( 0.000 0.000 -4.977) 4.977 14.988 ( 0.000 0.000 7.043) 7.043 15.285 ( 0.000 0.000 -4.168) 4.168 15.341 ( 0.000 0.000 5.321) 5.321 15.514 ( 0.000 0.000 -1.375) 1.375 15.754 ( 0.000 0.000 17.686) 17.686 16.411 ( 0.000 0.000 -7.944) 7.944 17.628 ( 0.000 0.000 21.097) 21.097 18.710 ( 0.000 0.000 -17.049) 17.049 18.914 ( 0.000 0.000 1.748) 1.748 18.921 ( 0.000 0.000 1.803) 1.803 19.011 ( 0.000 0.000 -1.624) 1.624 19.018 ( 0.000 0.000 -1.617) 1.617 20.013 ( 0.000 0.000 4.427) 4.427 20.281 ( 0.000 0.000 -5.013) 5.013 20.991 ( 0.000 0.000 3.286) 3.286 21.254 ( 0.000 0.000 -7.687) 7.687 21.600 ( 0.000 0.000 6.356) 6.356 21.776 ( 0.000 0.000 -1.571) 1.571 23.955 ( 0.000 0.000 6.332) 6.332 24.450 ( 0.000 0.000 -14.180) 14.180 25.224 ( 0.000 0.000 15.258) 15.258 25.792 ( 0.000 0.000 -7.751) 7.751 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 19.096 0.000 19.046) 26.971 1.000 ( 16.767 0.000 27.409) 32.131 1.570 ( 27.386 0.000 43.051) 51.023 1.875 ( 2.541 0.000 -22.875) 23.016 2.082 ( -4.980 0.000 -12.067) 13.054 2.239 ( -11.691 0.000 9.846) 15.285 2.377 ( -5.593 0.000 -0.019) 5.593 2.461 ( -2.857 0.000 -0.450) 2.892 2.752 ( -5.813 0.000 -6.303) 8.574 2.775 ( -2.499 0.000 8.374) 8.739 2.868 ( -9.895 0.000 -0.890) 9.935 2.890 ( 0.896 0.000 6.223) 6.287 3.067 ( -2.826 0.000 1.799) 3.350 3.201 ( 8.257 0.000 -10.555) 13.401 3.244 ( 4.531 0.000 -0.115) 4.532 3.298 ( 2.420 0.000 -1.145) 2.677 3.485 ( 7.033 0.000 -3.941) 8.062 3.628 ( -3.575 0.000 7.868) 8.642 3.758 ( 7.442 0.000 -7.034) 10.240 4.064 ( -12.296 0.000 -2.007) 12.459 4.225 ( 2.792 0.000 2.655) 3.853 4.474 ( -8.334 0.000 4.257) 9.358 4.903 ( 2.332 0.000 -6.543) 6.947 4.931 ( 2.978 0.000 0.265) 2.990 4.951 ( 3.491 0.000 -0.462) 3.522 5.094 ( -2.289 0.000 -4.683) 5.213 5.160 ( -2.408 0.000 1.291) 2.732 5.227 ( -2.919 0.000 -1.051) 3.103 5.779 ( 6.835 0.000 0.730) 6.874 5.988 ( 6.628 0.000 -6.619) 9.367 6.362 ( -10.809 0.000 8.522) 13.764 6.471 ( -5.374 0.000 1.150) 5.496 7.062 ( 8.008 0.000 1.547) 8.156 7.262 ( 2.028 0.000 -2.799) 3.457 7.345 ( 6.334 0.000 0.009) 6.334 7.525 ( 17.808 0.000 -4.452) 18.356 7.652 ( 1.632 0.000 -3.970) 4.292 7.891 ( -0.297 0.000 2.507) 2.525 7.963 ( 7.759 0.000 -8.703) 11.660 8.068 ( 1.005 0.000 1.189) 1.557 8.140 ( -0.693 0.000 -1.290) 1.465 8.152 ( 0.290 0.000 -2.680) 2.695 8.465 ( 1.622 0.000 -0.478) 1.691 8.527 ( -0.977 0.000 -9.553) 9.603 8.848 ( 5.537 0.000 4.417) 7.083 8.980 ( 2.924 0.000 1.722) 3.393 9.095 ( 1.651 0.000 -2.405) 2.917 9.209 ( -1.367 0.000 -5.713) 5.874 9.393 ( 1.105 0.000 9.607) 9.670 9.561 ( -4.871 0.000 5.870) 7.627 9.730 ( -11.594 0.000 -0.827) 11.624 9.868 ( -12.159 0.000 -5.389) 13.300 10.068 ( -11.068 0.000 4.657) 12.008 10.356 ( -7.507 0.000 -7.443) 10.572 10.518 ( 10.281 0.000 7.802) 12.906 10.905 ( -0.664 0.000 13.250) 13.267 11.011 ( -4.395 0.000 3.740) 5.771 11.219 ( 4.391 0.000 -16.620) 17.190 11.414 ( -12.454 0.000 -5.058) 13.442 11.488 ( -2.504 0.000 -12.891) 13.132 11.611 ( 6.035 0.000 3.993) 7.236 11.986 ( 0.661 0.000 -2.424) 2.512 12.009 ( 3.227 0.000 9.538) 10.069 12.285 ( 8.468 0.000 4.388) 9.537 12.663 ( 18.794 0.000 -8.364) 20.572 13.256 ( -6.292 0.000 -16.979) 18.108 13.283 ( 0.985 0.000 18.193) 18.220 13.364 ( -0.913 0.000 16.979) 17.004 13.518 ( 3.198 0.000 -2.594) 4.117 13.692 ( 0.033 0.000 -11.141) 11.141 14.052 ( 0.435 0.000 -10.767) 10.776 14.089 ( -0.428 0.000 -10.160) 10.169 14.473 ( 1.305 0.000 3.372) 3.616 14.598 ( -2.844 0.000 1.729) 3.328 14.921 ( -1.561 0.000 12.251) 12.350 15.249 ( -2.784 0.000 -2.517) 3.753 15.358 ( 3.013 0.000 4.083) 5.075 15.522 ( 0.686 0.000 -1.512) 1.660 15.737 ( -0.542 0.000 15.661) 15.670 16.295 ( -11.435 0.000 -5.552) 12.711 17.651 ( 2.430 0.000 22.511) 22.641 18.379 ( -27.493 0.000 23.986) 36.485 18.915 ( 0.050 0.000 1.750) 1.750 18.920 ( -0.066 0.000 1.793) 1.794 19.012 ( 0.078 0.000 -1.619) 1.621 19.018 ( -0.059 0.000 -1.614) 1.615 19.887 ( -7.345 0.000 1.052) 7.420 20.261 ( -3.276 0.000 -6.870) 7.612 20.745 ( -21.979 0.000 23.317) 32.043 21.004 ( -6.909 0.000 6.987) 9.826 21.222 ( -7.193 0.000 -7.582) 10.451 21.472 ( -18.107 0.000 -3.367) 18.417 24.130 ( 14.733 0.000 7.182) 16.390 24.732 ( 2.118 0.000 -14.745) 14.896 25.610 ( 22.853 0.000 -5.709) 23.555 25.922 ( 10.198 0.000 -12.812) 16.375 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 22.184 0.000 10.849) 24.695 1.395 ( 21.997 0.000 17.216) 27.933 1.703 ( -18.914 0.000 1.570) 18.979 1.816 ( -19.709 0.000 8.185) 21.341 2.089 ( 12.102 0.000 -0.211) 12.103 2.217 ( 3.138 0.000 5.440) 6.280 2.409 ( 7.046 0.000 -13.565) 15.285 2.481 ( 19.449 0.000 6.377) 20.468 2.583 ( -9.732 0.000 -12.298) 15.683 2.700 ( -1.876 0.000 9.055) 9.247 2.776 ( -0.376 0.000 4.758) 4.773 2.939 ( 3.248 0.000 7.344) 8.030 3.005 ( -3.368 0.000 4.932) 5.972 3.214 ( -32.856 0.000 9.489) 34.198 3.314 ( 2.391 0.000 -0.876) 2.547 3.332 ( 0.618 0.000 -1.158) 1.312 3.397 ( 9.669 0.000 -5.639) 11.193 3.557 ( -5.771 0.000 -4.606) 7.384 3.859 ( 6.605 0.000 -11.078) 12.897 3.942 ( -0.053 0.000 -1.115) 1.117 4.342 ( 4.392 0.000 -0.367) 4.407 4.392 ( -1.987 0.000 4.652) 5.059 4.916 ( 2.206 0.000 -5.132) 5.586 5.007 ( 4.390 0.000 0.535) 4.422 5.015 ( -5.834 0.000 -3.780) 6.951 5.040 ( 4.973 0.000 -0.701) 5.023 5.096 ( -3.750 0.000 1.053) 3.895 5.147 ( -4.916 0.000 -0.812) 4.983 5.930 ( 7.543 0.000 0.179) 7.545 6.044 ( -2.683 0.000 -4.215) 4.996 6.265 ( 1.834 0.000 6.143) 6.411 6.358 ( -5.806 0.000 2.001) 6.141 7.209 ( 6.363 0.000 -3.047) 7.055 7.279 ( -0.547 0.000 -3.033) 3.082 7.435 ( 2.525 0.000 1.537) 2.956 7.535 ( -8.480 0.000 -1.977) 8.707 7.828 ( 14.526 0.000 2.140) 14.683 7.997 ( 10.566 0.000 6.218) 12.260 8.090 ( -10.304 0.000 -0.130) 10.305 8.094 ( 1.454 0.000 0.530) 1.547 8.121 ( -1.241 0.000 -0.403) 1.305 8.129 ( 2.580 0.000 -2.026) 3.280 8.479 ( 4.215 0.000 -5.072) 6.595 8.582 ( 1.991 0.000 -10.539) 10.725 8.978 ( 6.239 0.000 3.519) 7.163 9.030 ( 1.067 0.000 2.143) 2.394 9.142 ( 2.617 0.000 -2.520) 3.633 9.179 ( -1.404 0.000 -3.633) 3.895 9.428 ( 1.257 0.000 -5.238) 5.387 9.461 ( -3.364 0.000 3.015) 4.517 9.513 ( -8.607 0.000 0.894) 8.653 9.545 ( -13.728 0.000 -3.368) 14.135 9.990 ( 3.043 0.000 -2.571) 3.984 10.155 ( -11.621 0.000 -9.887) 15.258 10.724 ( 9.974 0.000 5.752) 11.514 10.896 ( -7.390 0.000 4.519) 8.662 10.971 ( 7.622 0.000 8.757) 11.610 11.171 ( -11.903 0.000 0.361) 11.909 11.318 ( 5.390 0.000 -15.042) 15.979 11.418 ( -4.513 0.000 -13.738) 14.461 11.746 ( 7.340 0.000 6.863) 10.049 11.887 ( -6.645 0.000 6.629) 9.387 12.190 ( 10.317 0.000 9.401) 13.958 12.346 ( -3.538 0.000 9.164) 9.823 12.955 ( 11.161 0.000 -15.443) 19.054 13.129 ( -7.088 0.000 -16.019) 17.517 13.309 ( 1.555 0.000 17.792) 17.860 13.340 ( -1.511 0.000 17.329) 17.395 13.584 ( 3.524 0.000 -2.934) 4.585 13.654 ( -3.384 0.000 -5.328) 6.312 14.064 ( 0.700 0.000 -10.574) 10.597 14.078 ( -0.696 0.000 -10.342) 10.366 14.491 ( 1.309 0.000 5.303) 5.462 14.533 ( -2.533 0.000 5.129) 5.721 15.021 ( 9.002 0.000 -1.969) 9.215 15.178 ( -5.709 0.000 -4.713) 7.403 15.439 ( 5.173 0.000 5.154) 7.302 15.524 ( -1.991 0.000 1.612) 2.562 15.781 ( 6.731 0.000 10.579) 12.539 16.012 ( -15.316 0.000 1.656) 15.405 17.733 ( 6.502 0.000 27.883) 28.631 17.938 ( -15.574 0.000 36.120) 39.335 18.916 ( 0.088 0.000 1.757) 1.759 18.918 ( -0.098 0.000 1.773) 1.776 19.014 ( 0.115 0.000 -1.611) 1.615 19.016 ( -0.103 0.000 -1.610) 1.613 19.906 ( 8.140 0.000 -13.245) 15.547 20.117 ( -10.905 0.000 -11.779) 16.052 20.643 ( 4.850 0.000 9.303) 10.491 20.819 ( -11.742 0.000 3.640) 12.293 21.137 ( -0.220 0.000 -4.981) 4.986 21.210 ( -7.841 0.000 -5.387) 9.513 24.424 ( 13.827 0.000 3.773) 14.333 24.647 ( -8.526 0.000 -3.245) 9.123 25.911 ( 10.212 0.000 -4.870) 11.314 26.025 ( -0.796 0.000 -9.226) 9.260 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 15.725 22.766) 27.669 0.871 ( 0.000 21.427 19.375) 28.888 1.793 ( 0.000 37.378 40.235) 54.918 1.916 ( 0.000 8.352 -22.615) 24.108 2.066 ( 0.000 -1.556 -21.803) 21.859 2.423 ( 0.000 4.355 5.785) 7.241 2.504 ( 0.000 2.240 0.359) 2.269 2.656 ( 0.000 13.863 7.374) 15.702 2.807 ( 0.000 2.614 7.652) 8.086 2.842 ( 0.000 5.215 6.902) 8.650 2.981 ( 0.000 6.783 -4.498) 8.139 3.051 ( 0.000 5.874 -3.379) 6.777 3.077 ( 0.000 -1.319 -0.550) 1.429 3.226 ( 0.000 6.692 -3.453) 7.531 3.289 ( 0.000 0.729 3.116) 3.200 3.324 ( 0.000 10.672 -6.109) 12.297 3.412 ( 0.000 8.547 3.215) 9.132 3.641 ( 0.000 0.292 5.219) 5.227 3.663 ( 0.000 2.482 -6.846) 7.282 4.047 ( 0.000 -3.616 -5.960) 6.971 4.255 ( 0.000 0.446 5.920) 5.936 4.665 ( 0.000 -2.804 5.503) 6.176 4.711 ( 0.000 -0.027 -8.599) 8.599 5.068 ( 0.000 0.858 -6.366) 6.423 5.239 ( 0.000 23.350 1.816) 23.421 5.321 ( 0.000 29.345 -1.649) 29.391 5.436 ( 0.000 23.776 1.864) 23.849 5.542 ( 0.000 26.685 -1.819) 26.747 5.757 ( 0.000 5.607 0.642) 5.643 5.901 ( 0.000 1.653 -2.204) 2.755 6.412 ( 0.000 -6.551 8.345) 10.610 6.497 ( 0.000 -1.907 -0.638) 2.011 6.963 ( 0.000 0.305 1.440) 1.472 7.099 ( 0.000 -0.362 -1.920) 1.954 7.311 ( 0.000 3.965 -0.269) 3.975 7.312 ( 0.000 0.713 -0.900) 1.148 7.513 ( 0.000 -0.357 0.214) 0.416 7.794 ( 0.000 -5.555 -13.854) 14.926 7.871 ( 0.000 3.442 11.670) 12.166 8.238 ( 0.000 4.189 -2.269) 4.764 8.240 ( 0.000 -4.190 3.890) 5.717 8.375 ( 0.000 2.931 -0.232) 2.940 8.535 ( 0.000 2.591 -11.584) 11.870 8.550 ( 0.000 22.861 -17.058) 28.524 8.948 ( 0.000 11.544 3.170) 11.971 8.968 ( 0.000 -0.901 6.552) 6.613 9.121 ( 0.000 5.563 -3.006) 6.323 9.195 ( 0.000 -1.482 -4.311) 4.558 9.412 ( 0.000 2.715 16.549) 16.770 9.583 ( 0.000 -2.807 9.503) 9.909 9.920 ( 0.000 2.626 0.109) 2.628 9.928 ( 0.000 3.801 6.288) 7.348 10.083 ( 0.000 10.180 -1.684) 10.318 10.291 ( 0.000 6.409 -2.623) 6.925 10.840 ( 0.000 -6.231 8.755) 10.746 10.931 ( 0.000 -7.761 1.186) 7.851 11.191 ( 0.000 0.524 -7.470) 7.488 11.450 ( 0.000 8.733 -12.972) 15.638 11.495 ( 0.000 0.336 -10.306) 10.311 11.647 ( 0.000 27.585 -20.444) 34.335 11.722 ( 0.000 7.085 1.076) 7.166 11.991 ( 0.000 8.009 -8.888) 11.965 12.070 ( 0.000 2.421 7.390) 7.777 12.363 ( 0.000 -2.090 13.241) 13.405 12.399 ( 0.000 17.048 -15.341) 22.934 12.950 ( 0.000 -26.126 12.437) 28.935 13.026 ( 0.000 -21.969 12.003) 25.034 13.166 ( 0.000 -20.288 -10.265) 22.737 13.536 ( 0.000 -6.921 -23.780) 24.767 13.661 ( 0.000 6.442 6.275) 8.993 13.731 ( 0.000 -19.409 -14.482) 24.217 14.147 ( 0.000 3.426 -12.119) 12.594 14.474 ( 0.000 -0.451 5.459) 5.477 14.668 ( 0.000 4.815 -5.106) 7.018 15.220 ( 0.000 19.879 8.275) 21.533 15.370 ( 0.000 2.027 6.853) 7.146 15.604 ( 0.000 8.496 -1.669) 8.659 15.627 ( 0.000 21.717 -6.323) 22.619 15.764 ( 0.000 2.721 15.512) 15.749 16.377 ( 0.000 -3.284 -7.402) 8.098 17.620 ( 0.000 -1.163 15.156) 15.201 18.137 ( 0.000 -42.734 17.618) 46.224 18.230 ( 0.000 -29.639 -6.589) 30.363 18.462 ( 0.000 -39.654 -3.141) 39.778 18.741 ( 0.000 -15.309 8.073) 17.307 19.378 ( 0.000 18.158 -14.169) 23.032 20.416 ( 0.000 21.924 4.647) 22.411 20.451 ( 0.000 -4.945 11.229) 12.270 21.249 ( 0.000 22.672 1.881) 22.750 21.406 ( 0.000 15.646 -5.037) 16.436 21.658 ( 0.000 7.627 5.347) 9.314 21.898 ( 0.000 11.252 -7.488) 13.516 23.934 ( 0.000 -0.211 4.489) 4.494 24.391 ( 0.000 -5.581 -13.523) 14.630 25.127 ( 0.000 -9.519 14.142) 17.047 25.595 ( 0.000 -15.810 -2.795) 16.055 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 15.110 14.199 17.632) 27.218 1.082 ( 18.246 14.591 16.275) 28.473 1.926 ( 0.574 5.394 -20.130) 20.848 1.974 ( 16.554 31.174 33.379) 48.580 2.118 ( 0.060 4.214 -15.032) 15.612 2.284 ( -6.475 5.542 4.588) 9.679 2.468 ( -8.285 5.544 2.543) 10.288 2.504 ( -6.306 6.667 0.349) 9.184 2.785 ( -3.622 2.072 6.948) 8.105 2.845 ( -4.657 7.915 -3.555) 9.848 2.879 ( -7.887 2.889 1.395) 8.515 2.954 ( 0.803 5.869 4.328) 7.337 3.129 ( -1.610 5.351 1.060) 5.688 3.298 ( 4.536 6.636 -1.847) 8.248 3.302 ( 5.154 6.453 -2.857) 8.739 3.345 ( 3.483 5.044 1.810) 6.391 3.515 ( 3.002 3.346 -3.378) 5.623 3.640 ( 0.876 3.224 4.534) 5.632 3.760 ( 6.192 1.134 -8.700) 10.739 4.002 ( -7.118 -3.296 -0.081) 7.844 4.241 ( 1.124 2.401 2.201) 3.446 4.473 ( -9.397 0.813 3.649) 10.113 4.816 ( 4.486 -1.901 -4.458) 6.604 5.038 ( -2.854 -0.194 -6.071) 6.711 5.255 ( 1.761 25.413 1.753) 25.534 5.363 ( 2.954 28.038 -2.626) 28.315 5.435 ( -0.510 25.783 1.526) 25.833 5.525 ( -1.860 27.574 -1.768) 27.693 5.807 ( 5.076 3.177 0.850) 6.048 5.981 ( 5.739 -0.028 -4.855) 7.517 6.327 ( -6.157 -1.292 7.507) 9.794 6.443 ( -4.887 -1.936 0.527) 5.283 7.047 ( 7.089 -1.041 1.480) 7.316 7.204 ( 4.908 -5.225 -2.811) 7.700 7.336 ( 3.324 1.948 1.907) 4.299 7.429 ( 9.733 -3.839 -2.179) 10.688 7.597 ( 7.662 0.604 -0.521) 7.703 7.840 ( 3.150 -4.761 -5.232) 7.744 7.884 ( 3.550 1.359 2.774) 4.706 8.056 ( -9.073 -1.249 1.642) 9.305 8.288 ( 1.477 6.178 -1.118) 6.450 8.375 ( -7.192 -1.066 -2.890) 7.824 8.497 ( 4.222 10.576 -6.961) 13.347 8.685 ( 7.974 16.346 -14.542) 23.286 8.971 ( 1.622 0.231 3.462) 3.830 9.005 ( 3.535 7.509 4.415) 9.400 9.149 ( 2.170 6.629 -1.573) 7.150 9.192 ( -0.211 0.223 -4.134) 4.145 9.351 ( -3.491 -1.084 10.784) 11.386 9.601 ( 1.192 2.030 4.295) 4.897 9.791 ( -11.690 4.102 0.304) 12.392 9.973 ( -9.698 11.105 -2.849) 15.016 10.038 ( 6.711 2.347 4.878) 8.622 10.208 ( -6.277 10.414 -0.374) 12.165 10.818 ( -0.909 -6.368 9.292) 11.302 10.919 ( -0.752 -5.491 2.888) 6.249 11.154 ( -4.493 -0.839 -10.073) 11.061 11.233 ( -13.314 10.207 -15.215) 22.649 11.477 ( -7.496 6.628 -5.795) 11.563 11.533 ( -8.164 15.873 -12.088) 21.558 11.733 ( 4.425 7.062 0.657) 8.360 12.007 ( -2.324 2.165 -0.546) 3.223 12.119 ( 7.661 9.905 8.484) 15.126 12.353 ( 7.271 2.869 6.144) 9.942 12.709 ( 14.654 1.471 -13.350) 19.877 12.949 ( -0.147 -25.468 11.218) 27.829 13.001 ( -1.635 -22.050 10.645) 24.540 13.159 ( -0.881 -20.191 -9.169) 22.193 13.505 ( -2.059 -4.734 -10.732) 11.909 13.604 ( -4.504 -8.717 -4.491) 10.791 13.829 ( 7.123 -6.672 -11.724) 15.255 14.124 ( -2.237 1.772 -12.798) 13.113 14.526 ( 4.528 1.895 4.273) 6.508 14.727 ( 4.033 8.594 -3.653) 10.172 15.130 ( -6.320 16.117 13.444) 21.919 15.400 ( 3.031 5.398 6.515) 8.987 15.533 ( -6.493 17.519 -2.421) 18.840 15.606 ( 0.452 10.577 -1.522) 10.696 15.761 ( -0.088 3.088 14.432) 14.759 16.265 ( -11.020 -2.806 -5.041) 12.439 17.636 ( 1.628 -1.755 15.833) 16.013 17.980 ( -10.434 -25.795 19.542) 34.002 18.321 ( 4.680 -37.668 -3.392) 38.109 18.455 ( -0.754 -39.410 -3.141) 39.542 18.763 ( 2.267 -14.158 8.344) 16.590 19.240 ( -13.269 13.112 2.735) 18.854 20.242 ( -7.588 8.378 3.007) 11.696 20.537 ( 2.820 9.931 1.741) 10.469 21.131 ( -22.066 33.795 5.975) 40.801 21.229 ( -8.104 21.022 4.478) 22.971 21.369 ( -7.234 16.291 -4.668) 18.426 21.600 ( -16.068 15.207 -5.368) 22.765 24.078 ( 13.668 -4.290 6.963) 15.928 24.639 ( 4.075 -8.584 -14.247) 17.125 25.428 ( 23.218 -17.412 -0.754) 29.031 25.686 ( 7.885 -18.222 -3.762) 20.208 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 20.477 11.965 9.269) 25.463 1.483 ( 20.718 8.184 11.280) 24.969 1.793 ( -16.664 8.594 -1.314) 18.795 1.872 ( -16.648 5.779 3.957) 18.061 2.231 ( 5.080 12.066 -0.729) 13.112 2.328 ( -2.550 8.429 0.176) 8.808 2.442 ( 3.421 2.925 -13.800) 14.515 2.503 ( 10.575 5.330 2.592) 12.122 2.676 ( 0.468 6.378 3.970) 7.527 2.750 ( -3.854 5.813 6.816) 9.752 2.826 ( 4.670 7.225 4.032) 9.501 3.022 ( 4.501 7.249 6.966) 11.015 3.049 ( -5.299 5.184 4.982) 8.931 3.303 ( -16.796 8.603 6.215) 19.869 3.391 ( 1.762 6.912 0.252) 7.138 3.422 ( -4.279 8.239 0.071) 9.285 3.436 ( 7.159 3.709 -2.055) 8.321 3.561 ( -5.991 0.670 -3.858) 7.157 3.855 ( 6.435 1.634 -9.250) 11.386 3.937 ( -0.408 0.830 -0.349) 0.988 4.309 ( 3.387 -0.777 -0.560) 3.520 4.362 ( -2.954 -1.170 3.268) 4.558 4.893 ( 3.862 -0.763 -4.399) 5.903 4.970 ( -3.769 -0.946 -4.376) 5.853 5.309 ( 3.520 26.334 1.343) 26.602 5.376 ( -2.561 26.624 0.647) 26.755 5.434 ( 1.505 30.517 -2.002) 30.619 5.477 ( -2.619 29.883 -1.806) 30.052 5.930 ( 6.700 0.331 -0.098) 6.709 6.033 ( -2.172 -0.530 -4.183) 4.743 6.260 ( 1.100 -0.348 5.738) 5.853 6.338 ( -5.327 -1.808 2.187) 6.036 7.177 ( 5.237 -2.427 -1.369) 5.932 7.236 ( -0.801 -3.415 -2.798) 4.486 7.418 ( 3.982 -0.089 2.939) 4.950 7.494 ( -2.851 -1.590 0.083) 3.265 7.817 ( 12.295 -1.235 -0.967) 12.394 7.903 ( 2.333 -6.162 -0.831) 6.641 7.937 ( 1.069 -0.783 2.897) 3.186 8.033 ( 3.793 -2.907 -3.198) 5.750 8.183 ( -7.573 1.432 -1.470) 7.846 8.260 ( -6.262 -0.338 -1.121) 6.370 8.656 ( 12.626 16.323 -2.897) 20.839 8.819 ( 1.664 17.595 -6.903) 18.974 9.004 ( 2.373 -4.081 1.170) 4.864 9.056 ( -0.255 2.392 1.107) 2.648 9.186 ( 1.767 5.087 0.789) 5.442 9.203 ( 0.807 3.923 -1.548) 4.294 9.296 ( -0.553 -1.252 1.675) 2.163 9.459 ( -15.565 3.557 -2.594) 16.175 9.677 ( 3.624 10.337 -1.288) 11.029 9.785 ( -7.970 14.234 -2.779) 16.548 10.103 ( 0.982 11.719 -0.899) 11.794 10.142 ( -1.254 4.899 -2.299) 5.555 10.813 ( 0.972 -3.666 3.629) 5.250 10.921 ( -10.596 5.945 -3.909) 12.763 10.977 ( 7.683 -1.689 5.253) 9.459 11.140 ( -5.419 -5.286 -5.992) 9.655 11.337 ( -2.560 7.442 -5.313) 9.495 11.394 ( -5.976 4.570 -8.755) 11.543 11.835 ( 5.395 4.799 1.894) 7.464 11.936 ( -4.606 2.881 2.079) 5.817 12.310 ( 9.966 10.538 10.185) 17.723 12.438 ( -1.206 6.185 8.805) 10.828 12.884 ( 3.666 -12.780 -4.143) 13.926 12.930 ( -1.791 -20.140 5.792) 21.033 13.031 ( 5.042 -19.879 1.619) 20.572 13.122 ( -3.231 -18.488 -7.173) 20.092 13.476 ( -0.411 -7.637 -2.007) 7.907 13.510 ( -3.999 -10.489 -1.957) 11.395 13.965 ( 6.234 -3.565 -14.034) 15.765 14.064 ( -3.940 -1.149 -13.893) 14.486 14.619 ( 4.612 7.408 4.227) 9.696 14.711 ( -4.672 13.228 6.112) 15.303 15.177 ( 10.520 11.379 -1.404) 15.561 15.385 ( -8.602 15.236 -4.549) 18.078 15.496 ( 5.565 6.219 7.306) 11.091 15.598 ( -3.067 8.890 3.758) 10.127 15.796 ( 5.491 1.657 10.872) 12.292 15.997 ( -14.039 -1.155 2.519) 14.310 17.687 ( 3.868 -4.238 18.548) 19.415 17.797 ( -7.560 -11.144 21.945) 25.747 18.392 ( 2.722 -38.838 -3.467) 39.088 18.433 ( -1.534 -39.054 -3.235) 39.218 18.834 ( 5.197 -9.917 9.676) 14.798 18.983 ( -10.559 -0.444 12.031) 16.013 20.262 ( 8.723 12.359 -13.110) 20.018 20.484 ( -10.025 11.701 -11.748) 19.376 20.902 ( -0.213 30.339 7.655) 31.290 21.024 ( -10.594 22.563 3.840) 25.221 21.316 ( 0.696 19.109 -3.443) 19.429 21.382 ( -6.475 18.369 -4.915) 20.087 24.360 ( 13.437 -6.074 3.771) 15.221 24.575 ( -8.047 -6.941 -3.171) 11.090 25.741 ( 8.975 -16.743 -4.373) 19.494 25.808 ( 2.152 -19.408 -5.173) 20.200 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 28.976 3.284) 29.161 1.357 ( 0.000 26.497 11.231) 28.779 2.109 ( 0.000 6.715 -19.637) 20.753 2.139 ( 0.000 13.761 -19.036) 23.489 2.535 ( 0.000 25.932 17.408) 31.233 2.579 ( 0.000 5.502 -0.499) 5.525 2.589 ( 0.000 21.595 12.718) 25.061 2.894 ( 0.000 7.753 9.221) 12.047 2.950 ( 0.000 5.751 9.032) 10.708 2.957 ( 0.000 12.308 2.838) 12.631 3.095 ( 0.000 3.564 0.427) 3.589 3.123 ( 0.000 6.479 -2.595) 6.980 3.213 ( 0.000 10.374 -4.907) 11.476 3.277 ( 0.000 0.069 8.457) 8.457 3.391 ( 0.000 8.094 0.377) 8.103 3.541 ( 0.000 9.044 -4.073) 9.919 3.588 ( 0.000 9.603 -0.551) 9.619 3.759 ( 0.000 9.835 3.608) 10.476 3.786 ( 0.000 10.316 -10.571) 14.770 4.028 ( 0.000 3.711 2.733) 4.609 4.312 ( 0.000 4.902 0.613) 4.940 4.650 ( 0.000 1.284 4.516) 4.695 4.738 ( 0.000 2.762 -9.265) 9.668 5.048 ( 0.000 -1.588 -6.372) 6.567 5.668 ( 0.000 12.911 -1.636) 13.014 5.766 ( 0.000 9.842 -3.927) 10.596 5.910 ( 0.000 14.865 5.473) 15.840 5.977 ( 0.000 5.070 2.813) 5.798 6.100 ( 0.000 34.767 0.787) 34.776 6.178 ( 0.000 34.040 -2.013) 34.099 6.450 ( 0.000 11.967 2.828) 12.297 6.557 ( 0.000 11.430 -1.762) 11.565 6.979 ( 0.000 1.635 1.571) 2.267 7.095 ( 0.000 0.476 -1.732) 1.796 7.327 ( 0.000 1.128 1.124) 1.593 7.450 ( 0.000 10.361 -3.075) 10.808 7.580 ( 0.000 6.789 -5.978) 9.046 7.678 ( 0.000 -5.551 -11.892) 13.124 7.998 ( 0.000 9.243 9.256) 13.081 8.201 ( 0.000 1.085 2.243) 2.492 8.239 ( 0.000 -2.124 -0.044) 2.125 8.403 ( 0.000 1.476 -3.680) 3.965 8.764 ( 0.000 15.407 -8.377) 17.537 8.881 ( 0.000 -4.684 10.197) 11.222 8.895 ( 0.000 10.265 -10.531) 14.706 9.052 ( 0.000 5.898 -2.374) 6.358 9.305 ( 0.000 12.547 0.021) 12.547 9.323 ( 0.000 12.762 0.916) 12.795 9.546 ( 0.000 10.542 12.887) 16.650 9.621 ( 0.000 6.255 8.990) 10.951 9.959 ( 0.000 2.521 2.174) 3.329 10.191 ( 0.000 17.432 -5.596) 18.308 10.298 ( 0.000 9.678 3.783) 10.391 10.461 ( 0.000 7.716 -0.277) 7.721 10.762 ( 0.000 -0.029 -1.143) 1.143 10.842 ( 0.000 1.682 -4.295) 4.613 11.194 ( 0.000 0.313 3.392) 3.407 11.436 ( 0.000 -3.647 -3.396) 4.983 11.437 ( 0.000 -9.263 -3.941) 10.066 11.867 ( 0.000 6.729 4.489) 8.089 11.960 ( 0.000 0.657 -21.238) 21.248 12.127 ( 0.000 1.282 15.178) 15.232 12.197 ( 0.000 9.089 -5.722) 10.740 12.248 ( 0.000 -10.688 15.631) 18.936 12.382 ( 0.000 -14.155 -2.171) 14.320 12.452 ( 0.000 -16.749 4.379) 17.312 12.623 ( 0.000 -28.744 -0.882) 28.757 12.672 ( 0.000 -11.178 6.826) 13.097 13.445 ( 0.000 -6.579 -31.826) 32.499 13.636 ( 0.000 9.057 -31.230) 32.517 13.710 ( 0.000 -0.574 4.955) 4.988 14.165 ( 0.000 -1.999 -13.901) 14.044 14.460 ( 0.000 0.627 4.288) 4.334 14.773 ( 0.000 5.424 -7.179) 8.998 15.354 ( 0.000 -3.804 9.794) 10.507 15.621 ( 0.000 17.886 6.321) 18.970 15.788 ( 0.000 3.283 16.245) 16.574 15.807 ( 0.000 11.165 -2.711) 11.489 15.965 ( 0.000 6.305 1.845) 6.569 16.295 ( 0.000 -4.649 -4.862) 6.727 17.535 ( 0.000 -5.686 -0.823) 5.745 17.680 ( 0.000 -6.958 -0.866) 7.011 17.690 ( 0.000 -24.641 -2.496) 24.767 17.727 ( 0.000 -32.171 -2.674) 32.282 18.421 ( 0.000 -14.520 22.535) 26.807 19.599 ( 0.000 4.539 -21.153) 21.634 20.111 ( 0.000 -24.611 27.666) 37.028 20.579 ( 0.000 -4.216 2.509) 4.906 21.768 ( 0.000 27.726 0.586) 27.732 21.813 ( 0.000 21.722 -1.184) 21.754 21.942 ( 0.000 19.978 2.667) 20.156 22.099 ( 0.000 7.441 -3.295) 8.138 23.972 ( 0.000 3.617 0.428) 3.642 24.260 ( 0.000 -6.745 -10.794) 12.728 24.872 ( 0.000 -15.569 11.500) 19.356 25.236 ( 0.000 -20.264 -2.761) 20.451 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 9.378 22.952 8.931) 26.354 1.500 ( 10.610 25.131 5.434) 27.815 2.080 ( -1.265 10.493 -15.482) 18.745 2.242 ( 6.067 9.074 -18.050) 21.094 2.432 ( -9.972 12.297 2.644) 16.051 2.557 ( -2.400 6.996 -0.917) 7.453 2.657 ( -2.504 18.600 12.657) 22.637 2.691 ( -2.554 20.428 14.024) 24.911 2.866 ( -5.194 5.595 4.715) 8.974 2.968 ( -4.872 7.742 -0.197) 9.149 3.061 ( 0.536 10.679 6.620) 12.576 3.111 ( -2.039 10.597 0.833) 10.824 3.227 ( 1.577 4.668 0.225) 4.932 3.379 ( 5.743 3.986 1.214) 7.095 3.477 ( 4.769 7.908 -1.123) 9.303 3.509 ( 3.391 10.394 1.527) 11.040 3.640 ( 0.197 8.801 -2.788) 9.234 3.739 ( -1.063 6.271 4.236) 7.642 3.864 ( 5.062 9.213 -8.457) 13.492 4.015 ( -1.354 5.502 5.598) 7.966 4.324 ( 1.377 5.742 -1.641) 6.128 4.531 ( -8.503 5.326 1.675) 10.172 4.802 ( 4.240 0.470 -5.671) 7.097 5.020 ( -2.588 -1.176 -6.430) 7.030 5.721 ( 4.454 13.764 -0.682) 14.483 5.801 ( 3.842 8.668 -2.986) 9.940 5.956 ( 3.565 11.892 2.874) 12.743 6.003 ( 1.599 8.947 0.468) 9.100 6.094 ( 0.252 31.188 1.676) 31.234 6.183 ( 0.342 35.472 -2.101) 35.536 6.405 ( -4.332 11.965 2.953) 13.063 6.502 ( -5.392 13.425 -1.048) 14.505 7.044 ( 5.814 1.076 1.666) 6.143 7.146 ( 4.114 -0.469 -0.757) 4.210 7.379 ( 4.703 -1.543 0.453) 4.970 7.450 ( 0.813 9.273 -1.737) 9.469 7.652 ( 6.510 3.837 -5.902) 9.589 7.734 ( 4.934 -4.070 -10.301) 12.125 7.992 ( 0.092 8.685 6.423) 10.802 8.081 ( -7.200 4.698 1.075) 8.664 8.269 ( -0.896 -4.083 0.600) 4.223 8.379 ( -3.071 2.980 -4.044) 5.888 8.792 ( 3.814 14.164 -5.153) 15.547 8.887 ( 0.594 -3.444 5.940) 6.892 8.968 ( 5.036 7.794 -5.939) 11.017 9.069 ( 2.412 6.231 -2.980) 7.316 9.303 ( 0.136 9.262 1.802) 9.437 9.382 ( 3.704 11.722 1.253) 12.357 9.426 ( -6.450 11.210 8.886) 15.692 9.716 ( 6.041 10.253 5.180) 12.979 9.887 ( -7.532 6.491 1.351) 10.034 10.163 ( -4.761 10.314 -4.610) 12.259 10.290 ( 1.434 13.510 2.311) 13.781 10.480 ( -0.273 13.882 0.186) 13.886 10.693 ( -4.028 -4.130 2.423) 6.257 10.846 ( 1.130 1.004 -3.345) 3.671 11.132 ( -5.781 0.868 0.997) 5.930 11.263 ( -10.312 -1.428 -7.277) 12.702 11.474 ( -1.766 -6.791 -0.909) 7.075 11.802 ( -6.740 0.661 -9.116) 11.356 11.884 ( -5.109 8.616 -0.464) 10.027 12.055 ( -6.558 -0.434 6.744) 9.417 12.257 ( 7.890 -9.969 7.859) 14.947 12.328 ( 5.350 3.354 -2.142) 6.667 12.424 ( 1.999 -22.444 7.988) 23.907 12.531 ( 5.889 -17.066 0.365) 18.057 12.606 ( -0.852 -20.644 1.702) 20.731 12.679 ( 1.293 -12.145 5.935) 13.580 13.428 ( -1.128 -3.867 -22.487) 22.845 13.602 ( -3.248 8.302 -25.182) 26.713 13.777 ( 5.639 -1.987 -6.038) 8.497 14.118 ( -4.302 -2.313 -14.643) 15.436 14.551 ( 8.117 1.543 3.920) 9.145 14.877 ( 8.840 6.405 -6.568) 12.740 15.287 ( -5.923 -0.568 9.373) 11.102 15.621 ( 0.491 14.318 8.023) 16.420 15.747 ( -3.556 8.698 6.598) 11.482 15.817 ( 0.575 5.552 5.621) 7.922 15.921 ( -3.381 8.999 3.877) 10.366 16.203 ( -8.948 -2.753 -2.507) 9.692 17.539 ( 0.561 -7.836 -0.170) 7.858 17.650 ( -2.259 -10.262 0.103) 10.508 17.706 ( 1.228 -24.960 -3.274) 25.203 17.737 ( 0.576 -26.940 -3.023) 27.115 18.466 ( 4.676 -13.721 23.085) 27.259 19.340 ( -22.823 -3.092 10.306) 25.232 20.123 ( 3.431 -12.912 -0.310) 13.364 20.574 ( -2.118 -7.265 -1.311) 7.680 21.690 ( -10.366 23.595 2.718) 25.915 21.736 ( -4.678 28.145 2.112) 28.609 21.836 ( -4.731 26.782 -1.563) 27.242 21.988 ( -8.518 18.100 -5.300) 20.694 24.010 ( 7.927 -1.697 5.075) 9.564 24.438 ( 4.972 -10.765 -11.571) 16.568 25.029 ( 15.552 -20.913 6.535) 26.869 25.296 ( 4.996 -21.356 -2.737) 22.103 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 17.197 14.409 8.515) 23.997 1.743 ( 13.664 20.156 2.198) 24.450 1.986 ( -9.800 10.371 -3.478) 14.686 2.079 ( -17.831 14.865 3.505) 23.478 2.453 ( 3.583 5.797 -9.563) 11.743 2.480 ( 1.924 12.350 -3.301) 12.927 2.531 ( -1.694 6.679 -9.251) 11.535 2.675 ( -8.495 8.299 -6.160) 13.379 2.861 ( 2.441 12.920 10.684) 16.942 2.902 ( -3.132 10.006 4.273) 11.322 3.061 ( 4.941 12.565 8.377) 15.889 3.161 ( -3.066 7.300 6.096) 9.993 3.261 ( 11.739 15.927 3.616) 20.113 3.485 ( 3.292 6.926 1.303) 7.778 3.554 ( -1.156 11.125 4.446) 12.036 3.572 ( 1.363 8.533 -0.809) 8.679 3.600 ( -3.799 7.360 2.042) 8.531 3.617 ( -7.681 8.212 0.553) 11.258 3.951 ( 4.288 7.188 -1.163) 8.450 4.006 ( -0.483 6.270 3.139) 7.028 4.359 ( 1.644 5.640 -3.620) 6.900 4.400 ( -3.825 5.971 -0.695) 7.125 4.886 ( 4.076 -0.044 -5.353) 6.728 4.959 ( -3.453 -0.353 -5.861) 6.812 5.812 ( 4.968 14.802 0.689) 15.628 5.890 ( 0.480 4.330 -0.649) 4.404 5.969 ( 2.066 21.030 -2.450) 21.273 6.037 ( -0.500 7.857 -2.845) 8.371 6.138 ( 3.925 28.351 1.607) 28.666 6.197 ( 0.590 35.016 -1.431) 35.050 6.309 ( -3.255 10.497 3.936) 11.674 6.371 ( -6.905 14.175 0.923) 15.795 7.158 ( 4.672 1.006 1.328) 4.960 7.201 ( 0.547 0.475 0.631) 0.961 7.462 ( 2.880 0.757 -0.298) 2.993 7.481 ( 1.213 2.805 -0.270) 3.068 7.799 ( 6.372 0.631 -4.614) 7.892 7.827 ( 3.319 -2.651 -5.747) 7.146 7.984 ( -0.939 3.715 -0.392) 3.851 8.015 ( 0.717 2.481 -0.740) 2.686 8.214 ( -2.486 2.161 0.601) 3.348 8.273 ( -6.645 6.862 -1.196) 9.627 8.890 ( 3.094 2.135 -0.803) 3.844 8.900 ( 0.794 -4.393 1.417) 4.684 9.064 ( 7.726 9.947 1.828) 12.727 9.176 ( 7.008 10.163 -5.198) 13.395 9.258 ( -7.893 5.453 5.430) 11.024 9.294 ( -3.750 7.570 1.414) 8.566 9.486 ( 5.444 15.731 0.251) 16.649 9.649 ( -11.398 14.078 -3.069) 18.372 9.896 ( 8.714 13.256 2.641) 16.082 10.047 ( -6.442 13.293 -1.274) 14.827 10.326 ( 1.634 10.019 -0.267) 10.154 10.395 ( -5.729 12.436 -0.777) 13.714 10.706 ( 5.241 -4.936 3.935) 8.205 10.856 ( -5.536 -3.300 -3.681) 7.422 11.037 ( 1.237 5.223 -1.556) 5.588 11.114 ( -4.358 1.840 -8.090) 9.372 11.432 ( 0.453 0.170 -0.005) 0.484 11.571 ( -12.636 5.687 -3.807) 14.370 11.884 ( 3.282 -0.406 3.901) 5.114 11.962 ( -4.223 -2.392 2.993) 5.702 12.363 ( 3.260 -16.031 2.051) 16.487 12.394 ( 0.387 -13.165 2.150) 13.345 12.480 ( 3.424 -18.036 4.354) 18.867 12.535 ( -2.369 -23.644 2.978) 23.948 12.685 ( 4.896 -7.279 4.878) 10.037 12.718 ( 1.471 -7.309 6.485) 9.882 13.427 ( 1.814 2.005 -15.677) 15.908 13.509 ( -5.660 7.249 -18.739) 20.874 13.899 ( 6.344 -3.697 -12.596) 14.580 14.017 ( -5.657 -3.437 -14.799) 16.212 14.733 ( 9.831 4.171 4.494) 11.586 14.918 ( -7.434 6.838 4.660) 11.124 15.327 ( 12.957 3.892 -6.273) 14.912 15.586 ( -8.849 6.368 -6.421) 12.652 15.702 ( 2.483 10.735 13.346) 17.306 15.793 ( -4.743 3.064 14.605) 15.658 15.893 ( 2.448 10.626 3.589) 11.479 16.003 ( -8.947 3.400 4.311) 10.498 17.561 ( 1.706 -10.263 0.564) 10.419 17.603 ( -2.407 -10.993 0.677) 11.274 17.729 ( 0.981 -24.509 -3.504) 24.778 17.741 ( -0.227 -24.793 -3.418) 25.029 18.612 ( 10.563 -11.366 24.807) 29.260 18.899 ( -19.200 -7.748 25.457) 32.813 20.258 ( 9.621 -8.075 -14.684) 19.323 20.459 ( -9.361 -9.328 -11.133) 17.280 21.552 ( -2.145 30.329 4.689) 30.764 21.602 ( -6.292 30.540 4.253) 31.470 21.809 ( 0.764 26.980 -3.513) 27.218 21.857 ( -4.402 25.256 -4.765) 26.076 24.217 ( 11.071 -7.431 3.430) 13.768 24.399 ( -6.732 -10.096 -2.618) 12.414 25.304 ( 9.248 -24.897 -1.183) 26.585 25.373 ( 1.404 -23.632 -2.484) 23.804 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.000 25.940 6.304) 26.695 1.907 ( 0.000 26.632 -1.990) 26.706 2.323 ( 0.000 14.001 -14.571) 20.207 2.424 ( 0.000 14.160 -13.511) 19.572 2.717 ( 0.000 8.189 -0.056) 8.189 2.765 ( 0.000 10.379 -2.025) 10.575 3.046 ( 0.000 7.356 8.876) 11.528 3.072 ( 0.000 6.468 9.061) 11.133 3.083 ( 0.000 2.961 7.165) 7.753 3.161 ( 0.000 8.749 3.422) 9.394 3.252 ( 0.000 6.683 -2.041) 6.988 3.312 ( 0.000 30.220 15.935) 34.164 3.374 ( 0.000 4.754 -4.072) 6.260 3.381 ( 0.000 8.989 3.259) 9.562 3.561 ( 0.000 9.605 -1.025) 9.660 3.622 ( 0.000 0.432 -3.471) 3.498 3.801 ( 0.000 11.840 -0.444) 11.849 3.958 ( 0.000 9.561 3.654) 10.235 4.009 ( 0.000 10.320 -1.895) 10.492 4.220 ( 0.000 13.328 10.789) 17.148 4.437 ( 0.000 8.159 -7.275) 10.931 4.732 ( 0.000 7.317 -0.586) 7.340 4.810 ( 0.000 4.068 -9.341) 10.188 5.019 ( 0.000 -1.046 -5.378) 5.479 5.820 ( 0.000 5.008 -3.214) 5.951 5.826 ( 0.000 -0.578 -2.186) 2.261 5.985 ( 0.000 -2.302 2.955) 3.745 6.050 ( 0.000 1.629 1.080) 1.954 6.715 ( 0.000 16.714 0.195) 16.716 6.753 ( 0.000 24.783 -1.327) 24.819 6.814 ( 0.000 17.529 0.746) 17.545 6.849 ( 0.000 12.962 -0.314) 12.966 7.069 ( 0.000 10.830 2.719) 11.166 7.159 ( 0.000 6.933 -1.095) 7.019 7.387 ( 0.000 5.924 3.409) 6.834 7.556 ( 0.000 -2.832 -4.406) 5.238 7.758 ( 0.000 16.072 -9.743) 18.795 7.777 ( 0.000 13.241 -10.179) 16.701 8.195 ( 0.000 -2.350 7.356) 7.722 8.218 ( 0.000 11.811 6.662) 13.560 8.300 ( 0.000 9.583 0.762) 9.613 8.469 ( 0.000 5.532 -4.469) 7.112 8.791 ( 0.000 2.190 9.446) 9.697 8.972 ( 0.000 3.449 -1.891) 3.933 9.132 ( 0.000 16.825 -3.241) 17.135 9.337 ( 0.000 17.391 -7.914) 19.107 9.603 ( 0.000 16.257 3.678) 16.668 9.639 ( 0.000 19.832 2.416) 19.978 9.777 ( 0.000 11.171 7.201) 13.291 9.788 ( 0.000 10.130 5.952) 11.749 10.061 ( 0.000 8.766 7.045) 11.246 10.365 ( 0.000 3.504 3.641) 5.053 10.559 ( 0.000 5.047 5.093) 7.170 10.589 ( 0.000 18.538 -8.089) 20.226 10.823 ( 0.000 3.377 -10.162) 10.709 10.956 ( 0.000 3.017 -10.287) 10.720 11.075 ( 0.000 -20.195 3.404) 20.480 11.218 ( 0.000 -4.594 -2.096) 5.049 11.319 ( 0.000 -11.501 -3.156) 11.926 11.552 ( 0.000 -29.914 -10.636) 31.749 11.787 ( 0.000 -11.812 8.259) 14.413 11.942 ( 0.000 -24.093 -0.304) 24.095 12.024 ( 0.000 -0.523 16.227) 16.236 12.289 ( 0.000 6.060 12.729) 14.098 12.301 ( 0.000 8.005 -0.456) 8.018 12.414 ( 0.000 9.536 1.396) 9.638 12.551 ( 0.000 8.183 -1.306) 8.286 12.583 ( 0.000 2.028 9.890) 10.096 13.306 ( 0.000 -7.401 -29.302) 30.223 13.672 ( 0.000 -2.714 4.249) 5.041 13.806 ( 0.000 6.231 -24.379) 25.163 14.058 ( 0.000 -8.467 -4.634) 9.652 14.550 ( 0.000 8.545 -8.895) 12.334 14.867 ( 0.000 3.660 -8.982) 9.699 15.246 ( 0.000 -6.373 9.443) 11.392 15.808 ( 0.000 -3.073 15.971) 16.264 15.834 ( 0.000 3.468 -9.278) 9.904 15.955 ( 0.000 -3.611 3.760) 5.213 16.002 ( 0.000 6.283 -0.029) 6.283 16.206 ( 0.000 -4.433 -1.237) 4.603 17.227 ( 0.000 -15.688 1.644) 15.774 17.330 ( 0.000 -12.200 3.593) 12.718 17.507 ( 0.000 -6.505 -5.009) 8.210 17.598 ( 0.000 4.077 -14.769) 15.321 18.261 ( 0.000 -0.781 26.169) 26.180 19.592 ( 0.000 -4.236 -23.975) 24.346 19.594 ( 0.000 -26.174 33.406) 42.439 20.366 ( 0.000 -15.199 -0.526) 15.208 22.141 ( 0.000 10.500 -0.124) 10.501 22.154 ( 0.000 2.373 -0.777) 2.497 22.298 ( 0.000 20.682 1.045) 20.709 22.343 ( 0.000 18.028 -0.642) 18.040 24.053 ( 0.000 4.063 -0.849) 4.151 24.157 ( 0.000 -3.291 -5.976) 6.822 24.547 ( 0.000 -16.453 8.201) 18.384 24.816 ( 0.000 -21.632 -2.720) 21.803 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 2.477 23.517 4.961) 24.162 2.001 ( 6.856 24.475 0.347) 25.419 2.326 ( -1.672 13.582 -9.894) 16.887 2.453 ( 3.683 11.592 -14.428) 18.871 2.671 ( -10.179 10.334 1.332) 14.566 2.707 ( -1.650 9.505 -1.444) 9.755 2.818 ( -8.892 7.695 4.133) 12.465 2.983 ( -7.069 6.966 2.466) 10.227 3.120 ( -1.678 10.906 2.746) 11.371 3.184 ( 1.199 8.816 6.295) 10.899 3.283 ( -5.772 11.498 2.988) 13.207 3.320 ( 2.456 8.493 -0.352) 8.848 3.405 ( 7.344 15.230 6.709) 18.191 3.462 ( 6.897 7.319 2.210) 10.297 3.606 ( 3.917 7.000 -2.350) 8.359 3.707 ( 8.181 9.440 4.011) 13.120 3.834 ( 0.272 10.824 -0.485) 10.838 3.895 ( -4.195 8.402 6.095) 11.195 4.043 ( 2.292 7.573 -0.443) 7.925 4.208 ( -1.244 12.349 10.691) 16.381 4.464 ( 2.452 8.741 -7.741) 11.931 4.684 ( -4.393 10.026 -2.109) 11.148 4.839 ( 2.548 3.185 -7.817) 8.817 4.999 ( -1.740 -0.612 -6.094) 6.367 5.839 ( 1.679 0.082 -1.877) 2.520 5.853 ( 2.420 1.560 -2.556) 3.850 6.012 ( 2.468 -2.190 1.828) 3.772 6.060 ( 0.815 0.407 0.511) 1.045 6.701 ( -2.474 21.140 1.269) 21.322 6.719 ( -3.480 16.559 0.132) 16.921 6.831 ( 4.367 23.584 1.108) 24.010 6.902 ( 2.802 19.912 -1.418) 20.158 7.108 ( 4.196 6.487 1.601) 7.890 7.186 ( 2.801 5.776 -1.007) 6.498 7.388 ( 0.420 4.106 3.390) 5.341 7.619 ( 6.144 -2.370 -4.303) 7.866 7.707 ( -4.497 14.311 -7.812) 16.913 7.828 ( 3.825 10.908 -10.456) 15.587 8.140 ( -4.304 0.713 6.632) 7.938 8.238 ( -5.401 8.645 1.502) 10.304 8.279 ( 4.714 11.868 5.013) 13.719 8.506 ( 3.381 10.388 -4.393) 11.775 8.831 ( 3.143 2.464 8.153) 9.078 8.943 ( -2.043 3.637 0.087) 4.172 9.217 ( 5.361 16.795 -2.564) 17.815 9.307 ( -1.418 13.522 -5.215) 14.562 9.535 ( -3.825 14.985 2.758) 15.709 9.585 ( -6.285 11.162 3.189) 13.201 9.751 ( 3.677 17.587 3.887) 18.383 9.943 ( 7.688 9.853 2.932) 12.837 10.070 ( 0.060 12.577 6.470) 14.144 10.329 ( -2.169 7.559 2.106) 8.141 10.525 ( -2.217 12.202 -2.691) 12.690 10.622 ( 0.901 4.190 2.724) 5.079 10.717 ( -8.773 4.056 -7.663) 12.334 10.939 ( 0.052 0.917 -5.507) 5.583 11.123 ( 0.076 -16.026 -3.294) 16.361 11.167 ( -2.429 -0.210 -0.259) 2.451 11.262 ( -4.653 -9.491 -3.338) 11.085 11.500 ( -3.830 -31.527 -10.431) 33.428 11.786 ( -0.570 -11.404 5.565) 12.702 11.917 ( -3.873 -11.033 4.000) 12.358 11.970 ( -2.137 -13.493 7.845) 15.754 12.200 ( -7.653 3.058 9.372) 12.480 12.359 ( 2.392 9.089 2.880) 9.830 12.388 ( -1.734 6.419 3.439) 7.486 12.556 ( 3.596 2.299 4.411) 6.138 12.669 ( 5.271 4.526 5.328) 8.756 13.359 ( 4.964 -3.358 -23.695) 24.441 13.655 ( -1.205 -3.377 -3.494) 5.007 13.818 ( 1.155 5.548 -19.748) 20.545 14.034 ( -2.946 -6.169 -8.977) 11.283 14.626 ( 7.383 6.619 -4.870) 11.047 14.973 ( 8.545 3.197 -6.981) 11.488 15.223 ( -1.138 -4.577 6.676) 8.174 15.796 ( -2.394 -1.313 2.197) 3.505 15.801 ( -2.199 1.567 5.271) 5.922 15.904 ( -4.940 -1.097 2.250) 5.538 16.011 ( 0.987 3.554 1.350) 3.927 16.169 ( -3.329 -1.771 -0.122) 3.772 17.229 ( 0.200 -15.050 1.969) 15.180 17.308 ( -1.991 -11.478 3.093) 12.054 17.519 ( 1.220 -6.134 -5.896) 8.595 17.596 ( -0.294 2.460 -13.849) 14.068 18.302 ( 4.315 -1.863 27.486) 27.885 19.163 ( -24.423 -13.039 23.954) 36.610 19.853 ( 10.086 -13.656 -11.904) 20.734 20.332 ( -3.914 -15.632 -4.223) 16.659 22.059 ( -3.529 12.320 2.021) 12.974 22.207 ( 1.741 7.810 -3.076) 8.572 22.247 ( -5.569 20.602 1.412) 21.389 22.314 ( -1.748 18.845 -0.858) 18.945 24.017 ( 1.263 1.917 2.515) 3.405 24.248 ( 1.907 -7.968 -6.595) 10.518 24.643 ( 9.824 -17.634 5.860) 21.020 24.861 ( 3.621 -21.959 -2.581) 22.404 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 9.057 16.408 5.916) 19.653 2.158 ( 6.842 19.824 -0.444) 20.977 2.207 ( -7.355 12.112 1.407) 14.240 2.389 ( -12.664 15.317 1.288) 19.916 2.602 ( 7.807 9.378 -11.358) 16.671 2.695 ( 0.455 10.060 -5.787) 11.615 2.731 ( -2.058 12.856 -2.111) 13.190 2.823 ( -8.802 7.598 -5.840) 13.012 3.107 ( 0.271 11.877 3.122) 12.284 3.142 ( -3.531 12.494 1.938) 13.127 3.244 ( 1.941 6.991 2.869) 7.802 3.299 ( -2.980 6.245 -0.432) 6.933 3.581 ( 8.993 6.922 2.359) 11.591 3.633 ( 9.427 13.367 8.830) 18.588 3.709 ( 4.138 7.355 1.075) 8.507 3.744 ( -7.205 8.751 1.098) 11.388 3.805 ( 0.408 11.538 1.916) 11.703 3.833 ( -3.475 12.816 10.092) 16.678 4.101 ( 3.743 6.744 4.415) 8.887 4.170 ( -2.761 9.923 8.852) 13.581 4.518 ( 2.879 9.949 -7.012) 12.507 4.588 ( -4.579 11.917 -4.288) 13.468 4.899 ( 3.276 1.836 -7.314) 8.222 4.957 ( -2.541 0.541 -7.100) 7.560 5.877 ( 1.876 -2.078 -1.113) 3.012 5.892 ( 0.818 -1.313 -1.749) 2.335 6.059 ( 1.772 -2.152 -0.009) 2.788 6.072 ( 0.247 -1.336 -0.399) 1.416 6.645 ( -1.846 19.513 2.122) 19.715 6.654 ( -2.492 17.572 1.739) 17.833 6.915 ( 2.758 31.983 -0.622) 32.108 6.934 ( 0.436 28.261 -1.610) 28.310 7.214 ( 5.284 4.814 1.674) 7.342 7.252 ( 2.163 4.747 0.887) 5.292 7.426 ( 4.750 -0.761 0.824) 4.881 7.577 ( -8.520 4.518 -3.953) 10.422 7.776 ( 8.900 -1.802 -3.655) 9.789 7.891 ( 0.222 6.439 -6.062) 8.847 8.047 ( -2.696 2.621 0.671) 3.820 8.111 ( -6.488 10.030 -0.663) 11.964 8.418 ( 8.651 17.676 3.970) 20.076 8.544 ( -1.884 19.018 -1.603) 19.179 8.866 ( 0.584 1.825 4.946) 5.304 8.899 ( -2.440 1.600 2.218) 3.665 9.257 ( 3.641 10.223 2.858) 11.222 9.349 ( -1.034 11.097 -1.204) 11.210 9.463 ( -0.654 12.911 -0.181) 12.928 9.511 ( -2.247 12.119 -1.182) 12.382 9.828 ( 4.989 17.035 3.489) 18.090 9.960 ( -6.805 16.622 0.582) 17.970 10.163 ( 10.846 9.868 1.846) 14.779 10.319 ( -0.900 14.736 1.645) 14.855 10.466 ( -4.827 5.711 -5.183) 9.099 10.492 ( -7.528 2.993 -4.444) 9.240 10.712 ( 6.820 4.689 7.678) 11.289 10.888 ( -8.114 3.336 0.363) 8.780 11.065 ( 0.105 -7.988 -3.489) 8.718 11.113 ( -4.206 -3.769 -5.025) 7.559 11.286 ( 6.437 -15.469 -6.161) 17.852 11.415 ( -5.455 -24.867 -9.683) 27.238 11.774 ( 0.138 -8.886 4.370) 9.904 11.819 ( -4.459 -5.048 6.082) 9.075 11.971 ( 1.765 -16.978 4.198) 17.578 12.048 ( -6.300 -5.791 6.413) 10.693 12.364 ( -0.208 4.267 4.918) 6.514 12.371 ( -0.567 7.187 3.025) 7.818 12.666 ( 5.703 0.149 6.640) 8.754 12.729 ( -0.027 1.696 6.364) 6.586 13.485 ( 7.384 1.984 -17.235) 18.855 13.610 ( -4.341 -0.003 -14.310) 14.953 13.859 ( 3.381 1.214 -13.837) 14.295 13.948 ( -5.147 -2.941 -12.638) 13.959 14.807 ( 10.189 4.023 0.749) 10.980 14.991 ( -7.251 1.542 3.975) 8.411 15.362 ( 14.834 -0.132 -8.845) 17.272 15.653 ( -12.363 -0.374 -13.221) 18.104 15.785 ( -0.218 -1.575 14.780) 14.866 15.806 ( -2.985 0.266 11.995) 12.364 16.045 ( 2.345 3.513 0.875) 4.313 16.100 ( -3.270 2.498 0.803) 4.193 17.239 ( 0.902 -13.423 2.473) 13.678 17.266 ( -1.927 -11.722 2.696) 12.181 17.550 ( 1.763 -4.198 -8.477) 9.622 17.581 ( -1.261 -0.903 -11.553) 11.657 18.441 ( 10.294 -4.728 30.582) 32.612 18.724 ( -18.858 -8.597 31.786) 37.946 20.035 ( 9.091 -13.513 -16.094) 22.897 20.209 ( -8.206 -14.978 -11.809) 20.764 22.037 ( 1.636 18.002 3.277) 18.370 22.118 ( -6.114 20.095 2.642) 21.170 22.239 ( 1.649 14.376 -3.179) 14.815 22.277 ( -2.071 17.506 -2.185) 17.763 24.099 ( 5.910 -4.053 2.328) 7.535 24.210 ( -4.617 -8.356 -1.343) 9.641 24.838 ( 7.651 -21.327 0.425) 22.662 24.909 ( 0.168 -22.466 -1.762) 22.536 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.000 22.575 2.917) 22.763 2.378 ( 0.000 20.955 -2.187) 21.069 2.608 ( 0.000 13.449 -10.146) 16.847 2.655 ( 0.000 8.587 -7.701) 11.534 2.891 ( 0.000 9.332 -0.026) 9.332 2.969 ( 0.000 10.221 -3.501) 10.804 3.072 ( 0.000 -0.064 9.491) 9.491 3.186 ( 0.000 4.296 8.552) 9.570 3.193 ( 0.000 4.675 3.422) 5.794 3.322 ( 0.000 9.060 3.377) 9.668 3.373 ( 0.000 5.178 -2.422) 5.716 3.427 ( 0.000 0.984 -4.603) 4.707 3.536 ( 0.000 6.195 -0.260) 6.200 3.599 ( 0.000 0.824 -3.142) 3.248 3.764 ( 0.000 7.960 7.030) 10.619 3.909 ( 0.000 27.431 12.061) 29.965 4.008 ( 0.000 7.336 4.209) 8.458 4.142 ( 0.000 9.851 -0.296) 9.856 4.144 ( 0.000 4.150 1.443) 4.394 4.465 ( 0.000 10.991 11.244) 15.724 4.646 ( 0.000 11.954 -8.596) 14.724 4.868 ( 0.000 1.381 -7.747) 7.869 4.925 ( 0.000 11.276 -7.025) 13.285 5.032 ( 0.000 2.810 -4.435) 5.250 5.788 ( 0.000 -1.908 2.490) 3.137 5.892 ( 0.000 2.339 -1.474) 2.765 5.966 ( 0.000 0.717 -0.079) 0.721 6.060 ( 0.000 0.607 -4.336) 4.379 6.875 ( 0.000 3.454 0.528) 3.494 6.987 ( 0.000 5.569 -2.163) 5.974 7.030 ( 0.000 6.972 -0.841) 7.022 7.057 ( 0.000 8.508 -3.218) 9.097 7.263 ( 0.000 0.647 3.983) 4.035 7.388 ( 0.000 15.138 4.763) 15.869 7.565 ( 0.000 10.675 1.316) 10.756 7.582 ( 0.000 6.367 3.962) 7.499 8.015 ( 0.000 7.570 -7.097) 10.376 8.086 ( 0.000 17.172 -9.675) 19.710 8.159 ( 0.000 -0.164 11.752) 11.753 8.430 ( 0.000 10.642 0.804) 10.672 8.565 ( 0.000 15.011 -0.012) 15.011 8.629 ( 0.000 10.750 -5.065) 11.884 8.986 ( 0.000 15.587 7.058) 17.110 9.067 ( 0.000 5.384 1.694) 5.645 9.414 ( 0.000 11.533 0.284) 11.537 9.613 ( 0.000 8.502 -7.066) 11.054 9.828 ( 0.000 5.672 5.671) 8.021 9.935 ( 0.000 5.719 2.638) 6.298 9.947 ( 0.000 4.939 1.963) 5.315 10.134 ( 0.000 23.176 -1.762) 23.243 10.273 ( 0.000 7.959 10.621) 13.272 10.463 ( 0.000 2.192 2.925) 3.656 10.643 ( 0.000 -14.472 -3.186) 14.819 10.698 ( 0.000 -33.668 -9.981) 35.116 10.778 ( 0.000 -9.332 -5.068) 10.619 10.778 ( 0.000 11.584 -2.668) 11.887 10.838 ( 0.000 0.380 -1.206) 1.265 10.950 ( 0.000 7.926 -6.551) 10.283 11.125 ( 0.000 -2.406 -5.091) 5.631 11.375 ( 0.000 8.212 3.664) 8.992 11.708 ( 0.000 1.808 12.375) 12.506 11.728 ( 0.000 -0.878 -6.787) 6.844 12.012 ( 0.000 0.357 3.303) 3.322 12.367 ( 0.000 2.359 7.465) 7.829 12.468 ( 0.000 7.060 2.472) 7.480 12.636 ( 0.000 -0.024 -6.296) 6.296 12.639 ( 0.000 12.936 19.072) 23.045 12.813 ( 0.000 17.911 4.600) 18.492 13.164 ( 0.000 -6.612 -18.703) 19.837 13.618 ( 0.000 -2.521 3.988) 4.718 13.850 ( 0.000 -9.300 -0.353) 9.307 13.890 ( 0.000 -0.081 -10.186) 10.187 14.764 ( 0.000 12.011 -12.912) 17.635 14.899 ( 0.000 -0.604 -7.216) 7.241 15.130 ( 0.000 -4.904 7.894) 9.293 15.663 ( 0.000 -9.169 4.294) 10.125 15.800 ( 0.000 -6.140 -12.826) 14.220 15.914 ( 0.000 -0.974 -3.578) 3.708 16.008 ( 0.000 -3.716 -6.327) 7.338 16.105 ( 0.000 -5.569 -10.281) 11.693 17.117 ( 0.000 2.475 11.348) 11.615 17.224 ( 0.000 0.510 9.928) 9.941 17.317 ( 0.000 -8.871 13.554) 16.198 17.744 ( 0.000 6.664 -17.070) 18.325 18.354 ( 0.000 8.795 13.574) 16.174 19.134 ( 0.000 -19.202 33.613) 38.711 19.465 ( 0.000 -8.036 -23.306) 24.653 20.032 ( 0.000 -17.945 -3.391) 18.262 22.134 ( 0.000 -2.754 0.928) 2.906 22.231 ( 0.000 -0.370 -2.636) 2.662 22.586 ( 0.000 5.893 0.847) 5.953 22.617 ( 0.000 9.904 -0.352) 9.910 24.116 ( 0.000 2.062 -0.626) 2.155 24.121 ( 0.000 -1.549 -1.521) 2.171 24.267 ( 0.000 -10.680 4.177) 11.467 24.419 ( 0.000 -17.707 -1.846) 17.803 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -1.687 21.036 2.283) 21.226 2.439 ( 3.990 19.670 -0.489) 20.077 2.559 ( -5.965 8.860 -3.373) 11.201 2.679 ( 3.202 10.881 -10.929) 15.751 2.830 ( -7.656 7.503 2.328) 10.969 2.919 ( -1.913 10.563 -0.127) 10.735 2.983 ( -1.951 8.659 0.578) 8.895 3.130 ( -5.102 7.256 1.282) 8.963 3.301 ( -0.069 7.476 3.229) 8.144 3.317 ( 3.670 5.217 4.576) 7.850 3.387 ( -0.427 4.597 -1.109) 4.748 3.454 ( 0.481 -0.222 -4.365) 4.397 3.520 ( 2.749 8.039 0.355) 8.504 3.639 ( 3.791 3.210 -3.220) 5.920 3.874 ( 9.913 8.099 8.206) 15.206 3.940 ( 1.931 17.002 9.726) 19.683 4.017 ( 0.255 6.956 8.515) 10.998 4.065 ( -5.322 9.742 1.163) 11.162 4.153 ( -0.184 6.245 1.503) 6.426 4.455 ( -2.048 12.102 11.198) 16.615 4.652 ( 1.489 9.106 -9.221) 13.045 4.886 ( 0.410 5.834 -6.962) 9.093 4.924 ( 0.584 9.003 -7.301) 11.606 5.030 ( -0.222 4.366 -5.713) 7.193 5.794 ( 0.680 -2.320 2.324) 3.353 5.881 ( -0.986 0.565 -1.100) 1.581 5.994 ( 2.175 0.377 -1.170) 2.498 6.054 ( -0.532 -0.106 -3.820) 3.858 6.922 ( 0.051 5.563 -0.360) 5.575 6.961 ( 0.043 8.246 0.629) 8.270 7.035 ( 5.160 4.357 2.091) 7.070 7.149 ( 2.349 5.834 3.019) 6.977 7.235 ( 4.512 6.427 -4.611) 9.106 7.453 ( 0.739 13.759 -2.909) 14.082 7.538 ( 0.650 6.525 6.193) 9.020 7.636 ( 4.468 7.519 3.668) 9.484 7.946 ( -5.965 8.111 -5.066) 11.271 8.048 ( -5.810 4.142 3.167) 7.807 8.189 ( 3.142 13.156 -4.679) 14.313 8.440 ( -1.182 12.156 1.535) 12.309 8.575 ( 5.599 14.905 0.794) 15.942 8.726 ( 6.730 10.791 -1.434) 12.798 9.028 ( 3.914 15.988 5.309) 17.295 9.038 ( -2.878 5.127 3.392) 6.788 9.494 ( 6.791 9.739 -3.324) 12.330 9.555 ( -4.565 11.477 -2.693) 12.642 9.779 ( -6.279 8.035 0.177) 10.199 9.860 ( -1.322 11.159 3.097) 11.656 10.016 ( -1.301 6.236 3.848) 7.442 10.062 ( 0.815 7.106 -0.296) 7.159 10.346 ( 2.512 9.814 6.752) 12.175 10.486 ( 2.359 -2.355 2.078) 3.928 10.619 ( -2.588 -17.555 -6.203) 18.797 10.706 ( -1.268 -13.290 -0.809) 13.375 10.756 ( -0.723 -6.898 -7.179) 9.982 10.801 ( 1.969 3.448 -0.402) 3.991 10.816 ( -2.655 -1.522 -4.659) 5.574 10.900 ( -3.048 5.459 -8.738) 10.745 11.048 ( -5.207 -4.255 -0.679) 6.759 11.318 ( -6.366 9.684 2.000) 11.760 11.698 ( -0.550 1.023 9.625) 9.694 11.764 ( 3.721 0.448 -5.036) 6.277 11.940 ( -6.667 1.408 2.286) 7.188 12.275 ( -7.467 3.335 3.207) 8.785 12.538 ( 1.729 5.800 6.240) 8.693 12.561 ( 0.035 10.320 12.787) 16.432 12.703 ( -3.858 5.465 2.113) 7.015 12.729 ( 0.590 8.508 1.194) 8.612 13.290 ( 9.451 -3.266 -13.203) 16.562 13.583 ( -2.219 -3.271 1.513) 4.232 13.888 ( 1.426 -7.653 -0.240) 7.788 13.897 ( 1.341 1.523 -13.092) 13.249 14.800 ( 3.961 10.163 -9.496) 14.462 14.999 ( 7.266 -0.441 -4.093) 8.351 15.131 ( 1.793 -4.502 4.650) 6.716 15.671 ( 0.812 -7.807 2.276) 8.172 15.754 ( -5.092 -7.144 -10.177) 13.436 15.876 ( -3.501 -0.505 -3.841) 5.222 16.010 ( 0.458 -3.084 -7.337) 7.972 16.094 ( -1.047 -5.097 -10.164) 11.418 17.125 ( 0.803 2.491 11.220) 11.521 17.209 ( -1.304 0.525 10.161) 10.258 17.352 ( 3.426 -7.851 11.287) 14.170 17.703 ( -4.213 4.677 -14.505) 15.812 18.374 ( 2.147 7.973 15.171) 17.273 18.909 ( -16.489 -10.677 28.918) 34.959 19.595 ( 8.556 -12.476 -17.707) 23.289 19.998 ( -3.554 -17.663 -6.227) 19.063 22.159 ( 2.669 -0.487 1.384) 3.046 22.272 ( 3.810 -0.038 -2.819) 4.740 22.527 ( -5.351 6.481 1.685) 8.572 22.589 ( -2.936 8.391 -0.746) 8.922 24.062 ( -1.775 2.073 0.884) 2.868 24.121 ( -1.567 -5.374 -1.153) 5.716 24.362 ( 7.384 -10.321 2.031) 12.852 24.466 ( 3.714 -17.282 -1.548) 17.745 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 2.177 16.454 3.992) 17.071 2.414 ( -7.137 10.473 3.035) 13.032 2.533 ( 5.738 16.496 -0.501) 17.472 2.660 ( -6.842 12.037 -0.520) 13.855 2.793 ( 5.765 9.257 -8.531) 13.846 2.893 ( -2.709 8.614 -5.420) 10.532 2.962 ( 0.275 10.678 -1.094) 10.738 3.017 ( -5.286 11.951 -2.059) 13.229 3.307 ( 0.890 7.131 1.900) 7.434 3.332 ( -1.389 5.859 2.185) 6.405 3.382 ( 1.005 7.847 -0.453) 7.924 3.416 ( -2.352 5.811 -4.287) 7.594 3.661 ( 8.453 3.373 3.647) 9.805 3.736 ( 3.828 1.276 0.916) 4.138 3.894 ( -4.327 6.844 4.489) 9.259 3.924 ( -5.568 7.512 0.453) 9.362 4.065 ( 2.794 11.713 9.814) 15.535 4.077 ( 3.865 12.804 7.627) 15.396 4.184 ( 6.558 2.559 7.437) 10.240 4.357 ( -7.872 7.723 8.629) 14.002 4.723 ( 5.344 10.716 -6.639) 13.692 4.833 ( -4.973 12.210 -5.212) 14.177 4.971 ( 2.975 5.535 -8.635) 10.680 5.016 ( -1.427 6.124 -7.803) 10.021 5.818 ( 1.734 -2.834 1.522) 3.655 5.854 ( -1.741 -1.970 0.016) 2.629 6.029 ( 1.198 -0.997 -2.506) 2.951 6.044 ( -0.497 -1.164 -3.113) 3.361 6.893 ( -0.426 8.347 3.202) 8.950 6.922 ( -3.119 9.609 3.972) 10.855 7.206 ( 7.882 2.887 -1.971) 8.622 7.270 ( 9.396 7.803 1.410) 12.294 7.322 ( 0.225 4.663 -4.105) 6.216 7.407 ( -1.371 7.778 -3.914) 8.815 7.606 ( 3.600 15.283 3.408) 16.067 7.720 ( -1.342 5.991 1.106) 6.238 7.790 ( -2.784 8.800 1.694) 9.384 7.911 ( -7.550 -1.843 7.194) 10.591 8.263 ( 4.677 16.155 -8.820) 18.991 8.366 ( -5.261 15.064 -4.524) 16.585 8.774 ( 11.104 14.087 4.243) 18.432 8.857 ( 6.292 12.130 2.208) 13.842 8.957 ( -3.812 3.790 6.154) 8.171 9.054 ( -5.034 16.479 2.707) 17.442 9.502 ( 3.172 14.120 -0.097) 14.472 9.597 ( -1.109 11.404 -4.939) 12.477 9.697 ( -0.511 9.727 -0.715) 9.766 9.786 ( -6.503 16.371 -0.139) 17.616 10.005 ( 7.966 0.599 4.369) 9.105 10.237 ( 9.384 -1.417 -3.995) 10.297 10.247 ( -8.526 8.450 5.060) 13.027 10.488 ( -7.861 -4.909 -2.195) 9.524 10.580 ( -0.186 -7.036 -2.904) 7.614 10.613 ( -3.689 -6.904 -2.620) 8.255 10.739 ( -0.679 -9.228 -6.293) 11.190 10.747 ( -1.131 -13.972 -5.595) 15.093 10.895 ( 4.855 -3.052 -1.503) 5.928 10.941 ( 7.450 8.750 0.260) 11.495 10.972 ( -3.259 1.055 0.054) 3.426 11.138 ( -10.926 10.243 2.753) 15.228 11.705 ( 2.068 0.984 3.934) 4.552 11.796 ( -6.866 1.356 2.195) 7.334 11.887 ( 8.708 3.142 -1.784) 9.428 12.088 ( -10.933 4.694 0.266) 11.901 12.519 ( 0.977 9.529 11.999) 15.354 12.573 ( -3.813 10.947 5.855) 12.986 12.686 ( 4.374 1.931 5.896) 7.591 12.747 ( -1.168 1.230 3.564) 3.947 13.459 ( 6.881 -3.843 -9.286) 12.179 13.546 ( -2.315 -4.293 -4.429) 6.589 13.900 ( 0.709 -0.232 -7.916) 7.951 13.914 ( -0.283 0.014 -9.239) 9.243 14.906 ( 6.089 5.761 -1.913) 8.598 15.011 ( -4.021 0.982 3.880) 5.673 15.317 ( 13.861 -4.567 -6.169) 15.844 15.577 ( -11.500 -6.613 -8.354) 15.677 15.717 ( 2.890 -4.455 0.278) 5.317 15.794 ( -4.505 -1.153 -3.126) 5.603 16.032 ( 1.607 -3.248 -8.905) 9.614 16.066 ( -1.731 -4.140 -9.736) 10.720 17.147 ( 1.448 2.230 10.789) 11.111 17.179 ( -1.666 1.374 10.350) 10.573 17.448 ( 6.281 -5.317 4.798) 9.526 17.586 ( -7.189 -0.476 -5.757) 9.223 18.448 ( 5.708 5.056 19.997) 21.402 18.617 ( -11.973 -1.220 26.401) 29.015 19.753 ( 7.677 -14.583 -16.113) 23.049 19.895 ( -6.609 -16.355 -11.926) 21.293 22.239 ( 5.337 3.059 1.781) 6.404 22.334 ( -1.060 2.743 -1.572) 3.335 22.433 ( -0.432 5.288 1.528) 5.522 22.509 ( -4.935 5.837 -1.169) 7.733 24.056 ( 0.929 -0.766 0.937) 1.526 24.086 ( -1.832 -4.233 -0.007) 4.613 24.488 ( 4.460 -14.011 0.204) 14.705 24.521 ( 1.029 -16.414 -0.855) 16.468 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 0.000 8.189 -1.933) 8.414 2.727 ( 0.000 10.985 -1.720) 11.119 2.790 ( 0.000 9.570 -2.354) 9.855 2.833 ( 0.000 12.141 -5.224) 13.217 3.068 ( 0.000 7.490 -0.404) 7.501 3.071 ( 0.000 1.193 6.851) 6.954 3.165 ( 0.000 7.559 -2.184) 7.868 3.223 ( 0.000 0.163 7.353) 7.355 3.264 ( 0.000 3.505 1.427) 3.784 3.417 ( 0.000 -0.603 -5.531) 5.564 3.472 ( 0.000 4.872 -0.483) 4.896 3.487 ( 0.000 7.028 3.253) 7.745 3.627 ( 0.000 3.131 -0.099) 3.132 3.654 ( 0.000 2.889 -0.400) 2.916 3.852 ( 0.000 1.369 9.868) 9.963 4.058 ( 0.000 -1.112 2.283) 2.540 4.234 ( 0.000 5.688 1.761) 5.954 4.328 ( 0.000 8.502 -1.268) 8.596 4.385 ( 0.000 19.613 8.797) 21.496 4.656 ( 0.000 8.580 4.476) 9.677 4.848 ( 0.000 7.595 -3.919) 8.547 4.885 ( 0.000 0.916 -4.753) 4.841 5.113 ( 0.000 4.811 -4.193) 6.382 5.128 ( 0.000 8.411 -8.291) 11.811 5.801 ( 0.000 3.689 3.509) 5.091 5.921 ( 0.000 1.123 0.357) 1.178 5.996 ( 0.000 1.702 -2.126) 2.723 6.086 ( 0.000 1.484 -6.731) 6.892 6.941 ( 0.000 4.464 1.222) 4.628 7.110 ( 0.000 7.184 -2.563) 7.628 7.164 ( 0.000 6.857 -1.173) 6.957 7.174 ( 0.000 4.174 -2.786) 5.018 7.266 ( 0.000 2.007 9.630) 9.837 7.626 ( 0.000 9.687 3.660) 10.355 7.725 ( 0.000 7.109 13.079) 14.886 7.736 ( 0.000 5.738 -2.025) 6.084 8.095 ( 0.000 2.746 -3.169) 4.193 8.189 ( 0.000 2.223 6.857) 7.208 8.412 ( 0.000 14.907 -4.518) 15.576 8.632 ( 0.000 8.117 -5.210) 9.645 8.834 ( 0.000 11.316 -6.191) 12.899 8.871 ( 0.000 12.769 -3.609) 13.269 9.169 ( 0.000 5.465 8.106) 9.776 9.271 ( 0.000 10.306 -1.008) 10.355 9.604 ( 0.000 -12.576 -8.368) 15.105 9.614 ( 0.000 10.057 3.033) 10.505 9.859 ( 0.000 -2.810 6.107) 6.722 9.873 ( 0.000 -17.046 -0.852) 17.068 9.963 ( 0.000 -1.928 -8.000) 8.229 9.969 ( 0.000 -17.713 -3.139) 17.989 10.129 ( 0.000 -15.159 -9.537) 17.909 10.222 ( 0.000 -5.797 -2.803) 6.439 10.641 ( 0.000 7.530 6.726) 10.097 10.725 ( 0.000 8.332 -4.479) 9.460 10.763 ( 0.000 1.845 11.528) 11.674 10.889 ( 0.000 13.842 1.385) 13.911 11.071 ( 0.000 3.700 4.783) 6.047 11.101 ( 0.000 14.569 4.509) 15.251 11.219 ( 0.000 13.162 -6.038) 14.481 11.645 ( 0.000 -0.331 2.581) 2.602 11.746 ( 0.000 1.920 11.790) 11.945 11.852 ( 0.000 24.297 -13.824) 27.954 12.111 ( 0.000 10.513 -5.880) 12.046 12.423 ( 0.000 -11.535 -9.973) 15.249 12.445 ( 0.000 6.166 7.828) 9.965 12.678 ( 0.000 4.939 0.886) 5.018 12.893 ( 0.000 11.089 13.449) 17.431 13.049 ( 0.000 -5.098 -2.652) 5.747 13.154 ( 0.000 15.381 7.080) 16.933 13.569 ( 0.000 -2.793 3.935) 4.825 13.635 ( 0.000 -10.584 7.108) 12.750 13.876 ( 0.000 -3.014 -4.587) 5.489 14.856 ( 0.000 -2.891 -1.583) 3.296 14.955 ( 0.000 4.032 2.390) 4.687 15.069 ( 0.000 -0.329 5.256) 5.266 15.540 ( 0.000 -0.864 -17.219) 17.241 15.617 ( 0.000 -11.243 -3.420) 11.751 15.915 ( 0.000 1.441 -15.641) 15.707 15.949 ( 0.000 -1.549 -19.958) 20.018 16.020 ( 0.000 -2.567 -20.821) 20.978 17.210 ( 0.000 -1.828 24.479) 24.547 17.217 ( 0.000 5.693 16.763) 17.704 17.293 ( 0.000 5.170 13.799) 14.735 17.793 ( 0.000 -2.314 -5.870) 6.310 18.564 ( 0.000 11.696 4.847) 12.660 18.888 ( 0.000 -5.083 22.895) 23.453 19.299 ( 0.000 -8.371 -19.268) 21.008 19.680 ( 0.000 -17.358 -5.268) 18.140 22.071 ( 0.000 -3.140 1.040) 3.308 22.172 ( 0.000 -4.528 -2.832) 5.341 22.587 ( 0.000 -4.563 2.246) 5.085 22.676 ( 0.000 -3.221 -1.152) 3.421 24.039 ( 0.000 -5.240 1.440) 5.434 24.117 ( 0.000 -4.878 -1.421) 5.081 24.161 ( 0.000 -5.161 0.513) 5.186 24.171 ( 0.000 -1.068 0.006) 1.068 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -3.465 7.197 0.131) 7.989 2.724 ( -4.432 13.222 1.120) 13.990 2.776 ( 2.043 13.243 -1.363) 13.469 2.854 ( 1.288 7.506 -7.105) 10.416 2.976 ( -3.482 7.056 1.435) 7.998 3.097 ( -2.992 6.081 -2.512) 7.228 3.139 ( 0.368 6.911 2.787) 7.461 3.248 ( 0.223 5.099 1.081) 5.217 3.341 ( 5.447 -0.968 3.168) 6.375 3.420 ( 0.441 -1.705 -4.539) 4.869 3.446 ( -1.280 6.283 2.303) 6.813 3.509 ( 1.140 5.931 1.102) 6.139 3.656 ( 3.250 4.903 -0.441) 5.899 3.677 ( 2.351 0.999 -0.453) 2.594 3.913 ( 4.870 -2.076 9.037) 10.474 4.043 ( -1.628 -0.756 2.814) 3.338 4.179 ( -3.335 8.211 2.385) 9.178 4.298 ( -2.781 8.633 1.302) 9.162 4.363 ( -1.702 13.590 8.704) 16.228 4.660 ( -5.988 7.473 7.937) 12.438 4.798 ( 4.506 7.115 -8.179) 11.740 4.987 ( 5.458 6.080 -4.684) 9.418 5.115 ( -0.337 7.552 -4.855) 8.984 5.146 ( 1.618 6.729 -7.981) 10.564 5.795 ( -0.361 2.946 3.214) 4.375 5.895 ( -2.527 1.143 0.426) 2.806 6.000 ( 0.246 -0.113 -3.083) 3.095 6.064 ( -1.910 0.726 -5.777) 6.128 7.003 ( 4.325 4.624 0.995) 6.409 7.095 ( 1.030 5.782 -0.002) 5.873 7.149 ( -0.228 6.926 3.897) 7.950 7.234 ( 2.019 4.156 3.803) 5.985 7.350 ( 9.782 5.317 -4.379) 11.964 7.632 ( -0.290 5.772 8.860) 10.578 7.651 ( -3.607 6.788 -6.420) 10.015 7.811 ( 5.068 6.345 10.484) 13.261 8.023 ( -6.705 4.084 6.477) 10.178 8.141 ( -3.684 4.886 1.782) 6.374 8.498 ( 4.545 14.057 -13.314) 19.888 8.703 ( 4.066 13.166 1.039) 13.819 8.804 ( 2.465 6.908 -7.802) 10.709 8.940 ( 4.607 10.377 0.220) 11.356 9.127 ( -3.726 4.877 8.672) 10.624 9.321 ( 3.272 10.339 -1.873) 11.005 9.623 ( 3.176 -6.024 -6.577) 9.467 9.660 ( 4.588 4.163 -1.691) 6.422 9.842 ( -1.559 -10.563 0.392) 10.684 9.873 ( -3.653 -0.613 -4.498) 5.827 9.953 ( 5.267 -13.787 1.947) 14.887 10.011 ( 3.070 -11.913 -4.074) 12.959 10.152 ( -0.748 -6.762 -3.943) 7.863 10.204 ( 0.450 -9.728 -5.037) 10.964 10.484 ( -10.874 9.824 2.784) 14.917 10.599 ( -10.118 -2.370 0.295) 10.396 10.755 ( -8.034 -1.119 5.115) 9.589 10.926 ( 2.459 9.843 1.528) 10.260 11.018 ( -4.685 5.638 -0.294) 7.336 11.130 ( 3.725 16.152 5.177) 17.365 11.235 ( 2.293 17.062 3.562) 17.580 11.607 ( -5.954 8.665 6.956) 12.606 11.755 ( 4.174 1.828 1.600) 4.829 11.840 ( -0.911 15.220 -8.857) 17.633 12.054 ( -6.412 10.189 -8.827) 14.928 12.300 ( -5.447 -1.614 -3.584) 6.717 12.596 ( 7.107 0.295 3.187) 7.795 12.672 ( -0.157 4.328 4.224) 6.049 12.837 ( -4.845 9.046 10.865) 14.945 12.918 ( -6.540 4.898 3.100) 8.739 13.290 ( 7.563 4.832 3.017) 9.468 13.522 ( -2.289 -3.173 4.241) 5.770 13.730 ( 6.365 -7.735 3.840) 10.728 13.887 ( 0.842 -3.137 -4.605) 5.635 14.946 ( 6.429 -0.525 -1.373) 6.595 14.973 ( 3.395 0.431 3.719) 5.054 15.066 ( 0.060 -0.952 5.665) 5.745 15.555 ( -2.476 -6.861 -9.305) 11.823 15.586 ( 0.762 -3.942 -11.880) 12.541 15.879 ( -3.412 1.414 -16.827) 17.227 15.957 ( 0.775 -1.476 -19.878) 19.948 16.017 ( -0.399 -2.259 -20.699) 20.825 17.218 ( 0.666 3.933 17.088) 17.547 17.240 ( 2.054 1.004 20.960) 21.085 17.295 ( 0.761 3.767 15.259) 15.736 17.721 ( -7.040 -2.993 -1.327) 7.764 18.573 ( 0.972 11.357 5.658) 12.726 18.801 ( -6.849 0.122 18.635) 19.854 19.365 ( 5.386 -10.679 -16.544) 20.414 19.655 ( -2.621 -16.859 -7.037) 18.456 22.112 ( 4.051 -3.193 1.264) 5.311 22.219 ( 4.453 -4.511 -2.904) 6.972 22.533 ( -5.044 -4.298 2.578) 7.110 22.630 ( -4.463 -3.594 -1.207) 5.856 24.028 ( -0.447 -3.822 1.147) 4.015 24.083 ( -2.054 -0.406 -0.724) 2.215 24.204 ( 3.700 -8.914 0.448) 9.662 24.228 ( 3.465 -4.297 -0.349) 5.531 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -0.335 10.028 2.670) 10.383 2.636 ( -3.644 13.739 2.785) 14.484 2.820 ( 2.305 12.615 -1.216) 12.881 2.860 ( -1.301 8.103 -4.203) 9.220 2.954 ( 1.728 7.219 -2.746) 7.914 3.020 ( -4.174 4.643 -3.852) 7.336 3.166 ( 2.424 8.998 0.110) 9.319 3.223 ( -2.696 8.234 -1.078) 8.731 3.390 ( 0.865 0.765 0.246) 1.181 3.408 ( -1.102 3.749 0.882) 4.005 3.480 ( 2.853 0.225 0.582) 2.921 3.516 ( -0.710 4.198 0.379) 4.275 3.736 ( 4.265 3.315 1.186) 5.530 3.753 ( 3.924 1.599 0.701) 4.295 3.934 ( -1.658 -2.771 1.987) 3.792 3.982 ( -5.111 -1.167 0.632) 5.281 4.231 ( 9.375 7.406 7.463) 14.087 4.278 ( 1.396 7.476 6.365) 9.917 4.317 ( -2.652 9.287 8.077) 12.590 4.465 ( -11.912 4.134 7.095) 14.468 4.944 ( 7.663 11.284 -5.487) 14.702 5.051 ( -1.807 9.719 -5.352) 11.241 5.112 ( 2.390 7.910 -6.380) 10.440 5.161 ( -0.936 7.198 -8.390) 11.094 5.798 ( 0.928 1.199 2.497) 2.921 5.837 ( -2.866 0.433 1.067) 3.088 6.006 ( 0.516 -1.470 -3.748) 4.059 6.026 ( -1.617 -0.847 -4.345) 4.713 7.032 ( 0.911 6.723 4.365) 8.067 7.076 ( -3.562 6.871 5.969) 9.774 7.241 ( 9.268 1.477 -3.467) 10.005 7.346 ( 3.044 1.650 -0.727) 3.538 7.477 ( 2.343 8.959 -2.322) 9.547 7.548 ( -1.851 8.178 -3.916) 9.254 7.733 ( 6.386 4.492 8.552) 11.580 7.867 ( -5.226 0.447 11.537) 12.673 7.908 ( 2.154 9.306 3.882) 10.310 8.026 ( -7.335 8.751 3.051) 11.819 8.574 ( 4.145 13.091 -14.326) 19.844 8.666 ( -4.627 13.756 -10.248) 17.767 8.933 ( 5.150 4.953 6.262) 9.501 9.021 ( -3.493 3.161 9.147) 10.288 9.118 ( 10.736 10.383 -1.508) 15.011 9.310 ( -5.743 6.899 -3.266) 9.552 9.722 ( 1.403 -4.000 -5.922) 7.283 9.747 ( 2.899 5.337 -4.871) 7.786 9.803 ( 3.627 -0.727 -3.908) 5.381 9.924 ( 8.879 -8.446 1.930) 12.406 9.999 ( -5.580 -5.988 -4.242) 9.219 10.074 ( 5.229 -7.030 4.161) 9.699 10.129 ( -3.694 -0.501 2.227) 4.343 10.257 ( 7.249 -6.028 -5.043) 10.692 10.299 ( -9.330 -2.692 0.623) 9.731 10.389 ( -8.024 -4.973 -5.442) 10.896 10.588 ( -2.803 -6.231 -2.506) 7.278 10.745 ( -14.332 0.781 -6.191) 15.632 11.083 ( 6.267 9.001 10.807) 15.398 11.173 ( -1.765 8.661 11.826) 14.764 11.323 ( 6.743 22.390 5.285) 23.973 11.464 ( -7.441 18.099 3.853) 19.945 11.817 ( 1.957 11.487 0.241) 11.655 11.902 ( -4.433 8.226 -5.393) 10.789 11.934 ( 7.671 2.200 -12.157) 14.542 12.147 ( -10.553 1.283 -7.182) 12.829 12.677 ( 2.710 5.439 10.381) 12.029 12.726 ( 3.110 3.331 6.079) 7.598 12.752 ( -2.325 6.694 6.843) 9.851 12.818 ( -4.209 5.075 5.736) 8.739 13.411 ( 4.783 0.367 2.030) 5.209 13.480 ( -2.426 -1.827 2.547) 3.964 13.840 ( 4.353 -5.115 -0.462) 6.733 13.891 ( -0.902 -3.705 -3.567) 5.222 14.995 ( 1.854 1.807 5.616) 6.184 15.028 ( -1.168 0.608 6.406) 6.540 15.195 ( 11.811 -7.087 -1.173) 13.824 15.415 ( -9.813 -9.221 -2.458) 13.688 15.671 ( 5.819 1.313 -19.027) 19.940 15.789 ( -5.652 1.666 -18.418) 19.338 15.978 ( 1.253 -1.615 -20.288) 20.390 16.002 ( -1.109 -1.894 -20.593) 20.709 17.234 ( 0.985 4.967 15.259) 16.077 17.252 ( -0.659 4.726 15.142) 15.876 17.372 ( 7.052 -1.873 17.587) 19.041 17.545 ( -9.851 -3.226 9.109) 13.799 18.606 ( 2.523 10.064 8.204) 13.227 18.678 ( -5.041 6.722 12.770) 15.286 19.476 ( 5.653 -13.209 -13.955) 20.029 19.580 ( -4.766 -15.308 -10.720) 19.286 22.220 ( 6.533 -3.260 1.238) 7.405 22.308 ( 1.552 -3.918 -2.441) 4.870 22.432 ( -2.048 -4.306 2.554) 5.409 22.516 ( -6.622 -4.294 -0.983) 7.953 24.031 ( 0.653 -1.633 0.598) 1.857 24.050 ( -1.274 -0.114 -0.058) 1.280 24.268 ( 2.187 -9.555 0.141) 9.803 24.278 ( 1.231 -7.865 -0.185) 7.963 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 0.000 0.331 0.203) 0.389 2.793 ( 0.000 -0.781 -3.114) 3.211 3.017 ( 0.000 9.992 -0.857) 10.029 3.084 ( 0.000 9.398 0.782) 9.430 3.104 ( 0.000 2.032 3.687) 4.210 3.150 ( 0.000 1.961 -0.103) 1.963 3.224 ( 0.000 -0.660 -0.383) 0.764 3.239 ( 0.000 0.821 -2.435) 2.570 3.373 ( 0.000 6.841 1.827) 7.081 3.438 ( 0.000 3.433 -2.235) 4.096 3.560 ( 0.000 3.361 0.869) 3.471 3.577 ( 0.000 1.648 1.957) 2.559 3.649 ( 0.000 -3.209 2.869) 4.305 3.660 ( 0.000 0.304 0.986) 1.031 3.873 ( 0.000 1.541 5.851) 6.051 3.992 ( 0.000 -4.624 1.269) 4.795 4.355 ( 0.000 5.952 2.249) 6.363 4.441 ( 0.000 2.908 0.347) 2.929 4.699 ( 0.000 12.328 3.755) 12.887 4.804 ( 0.000 6.227 1.360) 6.374 4.906 ( 0.000 0.760 -2.425) 2.541 4.931 ( 0.000 0.760 -2.914) 3.011 5.204 ( 0.000 4.012 -3.788) 5.518 5.241 ( 0.000 3.086 -5.361) 6.185 5.915 ( 0.000 6.895 0.362) 6.905 5.950 ( 0.000 1.838 0.514) 1.908 6.012 ( 0.000 -0.321 -1.634) 1.665 6.095 ( 0.000 -0.989 -5.520) 5.608 7.066 ( 0.000 7.530 2.150) 7.831 7.220 ( 0.000 1.081 -2.094) 2.357 7.262 ( 0.000 6.541 -0.433) 6.555 7.292 ( 0.000 5.538 -0.881) 5.608 7.374 ( 0.000 8.962 8.834) 12.584 7.749 ( 0.000 -1.253 -3.668) 3.876 7.807 ( 0.000 5.140 2.837) 5.871 7.872 ( 0.000 7.744 14.123) 16.107 8.111 ( 0.000 -0.151 -6.163) 6.165 8.281 ( 0.000 7.192 6.544) 9.723 8.572 ( 0.000 -6.278 -6.814) 9.265 8.632 ( 0.000 -6.272 4.748) 7.867 8.987 ( 0.000 3.910 -8.977) 9.792 9.074 ( 0.000 5.889 2.004) 6.220 9.253 ( 0.000 2.035 0.840) 2.202 9.386 ( 0.000 3.273 -7.896) 8.547 9.415 ( 0.000 6.415 5.510) 8.457 9.501 ( 0.000 -9.395 -5.370) 10.822 9.710 ( 0.000 -11.648 -6.442) 13.311 9.757 ( 0.000 0.679 0.238) 0.719 9.877 ( 0.000 -7.549 -2.560) 7.971 9.922 ( 0.000 0.366 -2.303) 2.332 9.947 ( 0.000 1.331 -13.610) 13.675 10.110 ( 0.000 -6.944 -11.284) 13.249 10.756 ( 0.000 4.313 7.023) 8.242 10.767 ( 0.000 1.074 7.525) 7.601 10.933 ( 0.000 13.459 13.671) 19.184 11.104 ( 0.000 7.103 -1.766) 7.319 11.123 ( 0.000 3.824 3.997) 5.532 11.351 ( 0.000 0.461 8.706) 8.718 11.423 ( 0.000 9.539 9.074) 13.165 11.504 ( 0.000 -10.984 -3.081) 11.408 11.858 ( 0.000 8.685 -4.106) 9.606 12.160 ( 0.000 -12.009 -14.803) 19.062 12.342 ( 0.000 19.853 -7.902) 21.368 12.378 ( 0.000 14.905 2.224) 15.070 12.575 ( 0.000 5.144 2.689) 5.804 12.742 ( 0.000 0.600 4.788) 4.825 12.977 ( 0.000 -1.554 7.712) 7.867 13.032 ( 0.000 2.734 5.927) 6.527 13.402 ( 0.000 9.670 8.231) 12.699 13.465 ( 0.000 -5.713 6.437) 8.607 13.503 ( 0.000 -3.355 4.256) 5.420 13.770 ( 0.000 -7.515 1.738) 7.713 14.815 ( 0.000 -0.929 4.232) 4.333 14.907 ( 0.000 -5.218 10.585) 11.801 15.107 ( 0.000 3.270 7.574) 8.249 15.397 ( 0.000 -10.563 1.542) 10.675 15.656 ( 0.000 10.033 -32.257) 33.781 15.923 ( 0.000 -2.176 -28.172) 28.256 15.967 ( 0.000 3.176 -24.083) 24.292 16.004 ( 0.000 0.630 -25.732) 25.740 17.227 ( 0.000 2.721 25.665) 25.809 17.295 ( 0.000 1.649 19.661) 19.730 17.403 ( 0.000 5.935 15.946) 17.015 17.680 ( 0.000 -7.719 9.169) 11.986 18.792 ( 0.000 10.982 -0.058) 10.983 18.913 ( 0.000 6.356 6.567) 9.139 19.142 ( 0.000 -7.623 -12.670) 14.786 19.360 ( 0.000 -14.954 -5.192) 15.829 22.025 ( 0.000 -1.238 0.801) 1.474 22.084 ( 0.000 -3.910 -1.342) 4.134 22.476 ( 0.000 -4.900 1.530) 5.133 22.551 ( 0.000 -7.525 -1.173) 7.616 23.964 ( 0.000 -2.313 0.712) 2.420 23.998 ( 0.000 -4.323 -0.455) 4.347 24.138 ( 0.000 -0.447 0.459) 0.640 24.154 ( 0.000 -0.994 -0.113) 1.001 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 0.345 3.668 1.169) 3.865 2.857 ( 4.335 -0.392 -4.527) 6.280 2.986 ( -4.229 9.053 0.257) 9.995 3.040 ( -0.388 8.390 0.628) 8.423 3.119 ( -0.863 7.739 -2.445) 8.162 3.140 ( -2.771 -0.177 1.053) 2.969 3.219 ( 4.087 0.438 0.932) 4.214 3.322 ( 4.602 -1.610 0.151) 4.877 3.355 ( -0.714 5.929 1.719) 6.215 3.412 ( -2.455 2.462 -2.661) 4.378 3.534 ( -2.912 1.457 1.680) 3.664 3.576 ( -1.185 -0.161 1.332) 1.790 3.671 ( 3.809 -0.182 2.529) 4.576 3.710 ( 3.859 0.403 0.214) 3.885 3.885 ( 0.658 0.108 4.949) 4.994 3.980 ( -1.381 -4.350 1.119) 4.699 4.331 ( -1.206 6.627 2.897) 7.333 4.413 ( -2.169 3.165 1.283) 4.045 4.581 ( -6.750 8.556 6.186) 12.532 4.733 ( -9.765 0.815 3.936) 10.560 4.962 ( 9.839 8.018 -4.859) 13.591 5.082 ( 7.779 2.606 -3.976) 9.117 5.229 ( 1.912 4.452 -4.093) 6.343 5.255 ( 1.212 3.636 -6.193) 7.283 5.893 ( -1.927 5.946 0.502) 6.271 5.926 ( -2.481 1.996 0.790) 3.281 5.987 ( -1.789 -1.150 -2.074) 2.971 6.063 ( -2.915 -1.208 -4.946) 5.867 7.120 ( 4.160 6.062 0.262) 7.357 7.185 ( -0.163 2.997 -1.717) 3.457 7.293 ( -2.127 8.060 5.898) 10.211 7.333 ( 2.087 5.517 3.693) 6.959 7.445 ( 10.951 4.060 1.570) 11.785 7.674 ( -4.655 -1.984 -5.726) 7.642 7.825 ( 3.623 9.996 4.109) 11.399 7.918 ( 1.540 6.881 11.612) 13.585 8.107 ( -2.692 1.798 -1.099) 3.418 8.238 ( -2.557 6.884 7.565) 10.543 8.582 ( 0.740 -10.049 -8.016) 12.876 8.717 ( 4.293 -12.062 -1.151) 12.855 8.975 ( 1.251 10.440 -3.572) 11.105 9.116 ( 3.445 6.773 0.573) 7.621 9.222 ( -2.955 4.657 1.774) 5.793 9.379 ( -0.556 -1.783 -5.725) 6.022 9.471 ( 3.602 2.180 1.319) 4.412 9.541 ( 4.820 -5.020 -7.839) 10.483 9.712 ( 0.098 -9.737 -9.735) 13.769 9.787 ( 3.356 -1.882 1.010) 3.978 9.890 ( 0.663 -0.640 -8.318) 8.369 9.965 ( 6.210 -1.534 -4.205) 7.655 9.989 ( 4.342 -1.895 -3.627) 5.966 10.118 ( 1.389 -4.430 -7.844) 9.115 10.603 ( -12.674 3.183 6.205) 14.466 10.658 ( -9.602 2.894 7.044) 12.255 10.806 ( -13.553 9.188 8.280) 18.348 11.028 ( -10.269 2.442 -4.769) 11.582 11.148 ( 3.195 7.167 4.841) 9.220 11.304 ( -1.357 3.069 14.790) 15.166 11.501 ( 3.889 2.324 9.108) 10.173 11.557 ( 4.943 -5.741 0.132) 7.577 11.886 ( 3.685 9.733 -6.212) 12.120 12.102 ( -4.519 -6.101 -14.752) 16.591 12.204 ( -7.919 15.674 -0.022) 17.561 12.408 ( -3.432 12.489 -8.556) 15.523 12.637 ( 5.409 2.942 7.582) 9.767 12.755 ( 2.301 3.960 5.053) 6.820 12.930 ( -3.610 2.052 8.444) 9.410 12.996 ( -3.299 3.171 5.465) 7.128 13.430 ( 2.161 7.007 7.376) 10.400 13.466 ( 0.531 -1.077 6.485) 6.595 13.585 ( 6.520 -6.881 3.443) 10.086 13.776 ( 0.349 -7.852 1.473) 7.997 14.890 ( 7.041 -2.414 3.833) 8.372 14.929 ( 2.154 -4.079 10.103) 11.106 15.090 ( -1.677 2.693 7.827) 8.446 15.356 ( -4.153 -9.952 1.548) 10.895 15.688 ( 3.194 9.208 -31.433) 32.909 15.923 ( -0.847 0.202 -26.876) 26.890 15.948 ( -1.002 1.633 -25.912) 25.983 16.000 ( -0.543 0.173 -26.059) 26.065 17.251 ( 2.481 2.376 24.536) 24.775 17.303 ( 0.802 1.838 19.343) 19.447 17.391 ( -1.074 5.178 16.282) 17.120 17.618 ( -5.875 -6.362 11.689) 14.547 18.798 ( 0.623 11.032 0.214) 11.051 18.889 ( -1.979 7.917 4.814) 9.475 19.174 ( 2.814 -8.927 -11.396) 14.747 19.344 ( -1.577 -14.489 -6.022) 15.770 22.062 ( 3.677 -1.413 0.909) 4.043 22.127 ( 4.145 -4.250 -1.486) 6.120 22.428 ( -4.552 -4.616 1.653) 6.690 22.505 ( -4.502 -7.358 -1.131) 8.700 23.976 ( 1.412 -1.412 0.890) 2.186 24.028 ( 2.377 -3.864 -1.102) 4.669 24.122 ( -0.892 -0.842 1.213) 1.725 24.163 ( 0.341 -2.549 -0.401) 2.602 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 4.181 7.944 1.369) 9.081 2.875 ( -5.203 9.588 0.739) 10.933 2.950 ( 3.727 1.180 -5.477) 6.729 3.023 ( -2.910 5.017 -3.429) 6.738 3.087 ( 0.368 6.056 0.353) 6.078 3.113 ( -1.476 7.945 0.884) 8.129 3.293 ( 3.003 3.069 -0.035) 4.294 3.347 ( -2.187 4.904 -0.600) 5.403 3.374 ( 2.060 -1.751 0.008) 2.703 3.416 ( 2.498 -3.175 0.790) 4.116 3.469 ( -1.733 -0.738 2.499) 3.130 3.526 ( -3.649 -2.771 1.775) 4.914 3.767 ( 5.052 1.262 0.687) 5.252 3.801 ( 4.519 1.011 -0.547) 4.663 3.869 ( -1.917 -1.785 1.514) 3.025 3.924 ( -4.432 -3.419 -0.079) 5.598 4.367 ( 5.468 5.596 6.135) 9.943 4.397 ( 1.337 4.246 4.790) 6.539 4.465 ( -4.934 5.759 7.221) 10.471 4.533 ( -10.027 2.375 6.382) 12.121 5.138 ( 7.348 7.815 -5.971) 12.277 5.204 ( 3.182 5.270 -5.556) 8.293 5.245 ( 0.077 5.088 -5.450) 7.456 5.272 ( -0.223 3.925 -7.423) 8.400 5.857 ( -1.163 4.064 1.137) 4.377 5.869 ( -2.396 2.718 1.077) 3.780 5.970 ( 0.337 -2.211 -2.412) 3.289 6.002 ( -2.756 -1.836 -3.489) 4.811 7.162 ( 1.306 5.643 1.662) 6.026 7.207 ( -3.213 6.250 4.718) 8.464 7.261 ( 5.180 0.510 -2.439) 5.748 7.357 ( -3.236 -0.448 1.177) 3.472 7.633 ( 8.645 7.088 3.176) 11.621 7.712 ( 4.157 7.431 -2.983) 9.022 7.897 ( 2.922 9.353 3.660) 10.460 7.936 ( 1.184 7.253 10.906) 13.151 8.026 ( -2.386 3.653 3.465) 5.572 8.138 ( -8.298 4.385 6.139) 11.215 8.618 ( 3.328 -11.923 -7.062) 14.252 8.701 ( -4.229 -14.028 -7.613) 16.512 9.059 ( 5.103 10.431 0.892) 11.647 9.141 ( -3.290 9.253 2.129) 10.049 9.217 ( 5.054 2.642 -1.137) 5.815 9.323 ( -4.778 -1.872 -3.363) 6.135 9.559 ( 4.090 -2.943 -6.026) 7.855 9.604 ( 0.035 -4.146 -8.877) 9.798 9.755 ( 4.622 -7.802 -10.356) 13.765 9.835 ( -2.286 -7.964 -10.276) 13.200 9.997 ( 14.229 4.040 0.751) 14.811 10.079 ( 6.160 0.372 -1.252) 6.297 10.136 ( 4.860 4.024 1.801) 6.562 10.226 ( 9.035 -0.634 -2.088) 9.295 10.328 ( -13.380 4.430 3.193) 14.451 10.468 ( -17.832 6.057 2.722) 19.028 10.499 ( -1.843 -0.611 3.541) 4.038 10.728 ( -18.046 -2.265 -5.329) 18.952 11.216 ( 3.455 6.592 9.924) 12.405 11.275 ( -2.293 4.885 14.708) 15.667 11.576 ( 3.627 -2.627 6.353) 7.773 11.617 ( 0.226 -2.370 6.812) 7.216 12.011 ( 5.814 7.659 -7.591) 12.251 12.039 ( -0.310 5.349 -13.436) 14.465 12.087 ( -1.322 11.834 -2.353) 12.138 12.253 ( -10.673 7.884 -7.297) 15.143 12.751 ( 5.607 4.244 9.427) 11.761 12.824 ( 2.806 5.493 6.011) 8.613 12.858 ( -2.672 4.292 7.835) 9.325 12.920 ( -4.243 4.592 5.184) 8.121 13.466 ( 1.273 4.317 6.550) 7.948 13.476 ( 0.173 1.535 6.083) 6.276 13.706 ( 4.972 -8.147 2.064) 9.765 13.768 ( -1.500 -8.348 1.328) 8.585 14.981 ( 3.179 -1.461 9.381) 10.012 15.040 ( -1.688 0.864 7.756) 7.984 15.066 ( 8.254 -5.278 3.469) 10.394 15.238 ( -7.744 -8.264 1.966) 11.495 15.771 ( 4.862 7.287 -29.458) 30.733 15.864 ( -4.317 5.100 -26.904) 27.722 15.957 ( 1.178 -1.231 -27.408) 27.461 15.982 ( -1.231 -0.629 -26.792) 26.828 17.313 ( 2.545 2.839 19.151) 19.527 17.328 ( 1.612 2.452 19.156) 19.379 17.375 ( 0.973 1.777 18.632) 18.742 17.479 ( -7.391 -3.201 17.148) 18.945 18.817 ( 1.323 10.919 1.041) 11.048 18.849 ( -1.934 10.010 2.538) 10.507 19.237 ( 3.377 -11.138 -9.684) 15.141 19.300 ( -2.849 -13.117 -7.849) 15.550 22.161 ( 6.039 -1.874 0.846) 6.379 22.225 ( 4.076 -3.824 -1.842) 5.885 22.323 ( -4.248 -5.080 1.973) 6.910 22.391 ( -6.576 -6.970 -0.832) 9.619 24.015 ( 2.222 0.007 0.651) 2.316 24.050 ( -0.842 0.132 -0.678) 1.089 24.126 ( 1.602 -5.057 0.898) 5.380 24.157 ( -1.044 -4.675 -0.278) 4.798 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.762 ( 0.000 -1.489 0.002) 1.489 2.762 ( 0.000 1.489 0.002) 1.489 3.132 ( 0.000 -1.124 3.586) 3.758 3.132 ( 0.000 1.124 3.586) 3.758 3.162 ( 0.000 -4.021 -1.777) 4.396 3.162 ( 0.000 4.021 -1.777) 4.396 3.229 ( 0.000 -1.904 -4.054) 4.479 3.229 ( 0.000 1.904 -4.054) 4.479 3.498 ( 0.000 -3.703 2.577) 4.512 3.498 ( 0.000 3.703 2.577) 4.512 3.553 ( 0.000 -1.917 0.482) 1.976 3.553 ( 0.000 1.917 0.482) 1.977 3.641 ( 0.000 -1.924 2.409) 3.083 3.641 ( 0.000 1.925 2.409) 3.083 3.914 ( 0.000 -2.837 2.164) 3.568 3.914 ( 0.000 2.837 2.164) 3.568 4.443 ( 0.000 -2.481 1.760) 3.042 4.443 ( 0.000 2.482 1.760) 3.042 4.878 ( 0.000 -5.451 3.008) 6.226 4.878 ( 0.000 5.451 3.009) 6.226 4.893 ( 0.000 -1.999 -4.070) 4.535 4.893 ( 0.000 2.000 -4.070) 4.534 5.258 ( 0.000 -1.189 -3.868) 4.047 5.258 ( 0.000 1.190 -3.868) 4.047 5.988 ( 0.000 -1.779 -0.073) 1.780 5.988 ( 0.000 1.779 -0.073) 1.780 6.037 ( 0.000 -4.831 -2.943) 5.656 6.037 ( 0.000 4.831 -2.943) 5.657 7.190 ( 0.000 -4.108 0.525) 4.142 7.190 ( 0.000 4.108 0.525) 4.142 7.345 ( 0.000 -0.876 -0.357) 0.946 7.345 ( 0.000 0.876 -0.357) 0.946 7.597 ( 0.000 -11.887 2.823) 12.218 7.597 ( 0.000 11.888 2.823) 12.218 7.913 ( 0.000 -3.995 1.944) 4.443 7.913 ( 0.000 3.995 1.944) 4.443 8.264 ( 0.000 -16.379 1.906) 16.489 8.264 ( 0.000 16.379 1.906) 16.490 8.450 ( 0.000 -10.068 3.311) 10.599 8.450 ( 0.000 10.069 3.311) 10.599 9.077 ( 0.000 -4.297 2.927) 5.199 9.077 ( 0.000 4.297 2.927) 5.199 9.396 ( 0.000 -4.896 -5.343) 7.247 9.396 ( 0.000 4.896 -5.343) 7.247 9.476 ( 0.000 -7.996 -10.966) 13.571 9.476 ( 0.000 7.996 -10.966) 13.572 9.629 ( 0.000 -11.270 0.213) 11.272 9.629 ( 0.000 11.270 0.213) 11.272 9.861 ( 0.000 -5.445 -3.630) 6.544 9.861 ( 0.000 5.445 -3.630) 6.544 10.009 ( 0.000 -2.950 -11.675) 12.042 10.009 ( 0.000 2.950 -11.675) 12.042 10.792 ( 0.000 -0.575 10.897) 10.913 10.792 ( 0.000 0.575 10.897) 10.913 11.170 ( 0.000 -2.339 0.533) 2.399 11.170 ( 0.000 2.339 0.533) 2.399 11.251 ( 0.000 -12.592 0.067) 12.592 11.251 ( 0.000 12.592 0.067) 12.592 11.396 ( 0.000 -6.821 15.221) 16.680 11.396 ( 0.000 6.821 15.221) 16.680 12.007 ( 0.000 -5.851 -11.521) 12.922 12.007 ( 0.000 5.851 -11.521) 12.922 12.573 ( 0.000 -3.917 -8.020) 8.925 12.573 ( 0.000 3.917 -8.020) 8.925 12.653 ( 0.000 -9.402 11.502) 14.856 12.653 ( 0.000 9.402 11.502) 14.856 13.012 ( 0.000 -3.733 6.427) 7.433 13.012 ( 0.000 3.734 6.427) 7.433 13.429 ( 0.000 -1.504 3.866) 4.148 13.429 ( 0.000 1.504 3.866) 4.148 13.598 ( 0.000 -9.180 6.362) 11.169 13.598 ( 0.000 9.180 6.362) 11.169 14.826 ( 0.000 -2.317 7.986) 8.315 14.826 ( 0.000 2.317 7.986) 8.315 15.214 ( 0.000 -7.663 5.125) 9.219 15.214 ( 0.000 7.663 5.125) 9.219 15.836 ( 0.000 -7.042 -32.119) 32.881 15.836 ( 0.000 7.042 -32.118) 32.881 16.011 ( 0.000 -0.785 -26.818) 26.830 16.011 ( 0.000 0.785 -26.818) 26.829 17.284 ( 0.000 -2.334 22.636) 22.756 17.284 ( 0.000 2.334 22.636) 22.756 17.530 ( 0.000 -7.078 15.763) 17.280 17.530 ( 0.000 7.078 15.763) 17.280 18.985 ( 0.000 -8.669 -5.575) 10.307 18.985 ( 0.000 8.669 -5.575) 10.307 19.097 ( 0.000 -11.627 -2.175) 11.829 19.097 ( 0.000 11.627 -2.175) 11.829 22.029 ( 0.000 -1.589 0.151) 1.596 22.029 ( 0.000 1.589 0.151) 1.596 22.444 ( 0.000 -2.238 -0.169) 2.245 22.444 ( 0.000 2.239 -0.169) 2.245 23.949 ( 0.000 -0.771 0.155) 0.787 23.949 ( 0.000 0.772 0.155) 0.787 24.137 ( 0.000 -0.483 0.154) 0.507 24.137 ( 0.000 0.483 0.154) 0.507 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 4.130 -3.845 -0.631) 5.677 2.805 ( 4.130 3.845 -0.631) 5.677 3.095 ( -3.547 -2.896 0.875) 4.662 3.095 ( -3.547 2.896 0.875) 4.662 3.176 ( 2.011 -4.191 -0.762) 4.710 3.176 ( 2.011 4.191 -0.762) 4.710 3.259 ( 2.021 -4.790 -2.253) 5.667 3.259 ( 2.021 4.790 -2.253) 5.667 3.465 ( -2.564 -3.276 2.300) 4.753 3.465 ( -2.564 3.276 2.300) 4.753 3.518 ( -3.298 -2.882 0.980) 4.488 3.518 ( -3.298 2.882 0.980) 4.488 3.694 ( 4.475 -1.626 1.616) 5.028 3.694 ( 4.475 1.626 1.616) 5.028 3.910 ( -0.599 -2.381 1.730) 3.003 3.910 ( -0.599 2.381 1.730) 3.003 4.422 ( -1.347 -2.238 2.365) 3.524 4.422 ( -1.347 2.238 2.365) 3.524 4.704 ( -8.866 -3.824 4.146) 10.508 4.704 ( -8.866 3.824 4.146) 10.508 5.076 ( 9.437 -3.195 -4.472) 10.921 5.076 ( 9.437 3.195 -4.472) 10.921 5.283 ( 2.086 -0.775 -4.483) 5.005 5.283 ( 2.086 0.775 -4.483) 5.005 5.958 ( -2.564 -1.734 -0.084) 3.097 5.958 ( -2.564 1.735 -0.084) 3.097 6.007 ( -2.768 -4.426 -2.502) 5.788 6.007 ( -2.768 4.426 -2.502) 5.788 7.199 ( 1.055 -1.684 -1.651) 2.584 7.199 ( 1.055 1.684 -1.651) 2.584 7.402 ( 0.897 -0.827 5.299) 5.437 7.402 ( 0.897 0.827 5.299) 5.437 7.557 ( 2.460 -8.439 -0.606) 8.811 7.557 ( 2.460 8.439 -0.606) 8.811 7.981 ( 4.374 -5.031 2.035) 6.971 7.981 ( 4.374 5.032 2.035) 6.971 8.251 ( -1.228 -17.199 3.178) 17.534 8.251 ( -1.228 17.200 3.178) 17.534 8.432 ( -2.315 -12.891 3.373) 13.524 8.432 ( -2.315 12.891 3.373) 13.524 9.133 ( 4.791 -4.634 1.633) 6.863 9.133 ( 4.791 4.634 1.633) 6.863 9.362 ( -2.934 -3.675 -3.558) 5.897 9.362 ( -2.934 3.675 -3.558) 5.897 9.500 ( 2.660 -6.486 -12.662) 14.473 9.500 ( 2.660 6.486 -12.662) 14.473 9.663 ( 1.953 -8.652 -5.568) 10.472 9.663 ( 1.953 8.652 -5.568) 10.472 9.903 ( 5.251 -1.900 -1.802) 5.868 9.903 ( 5.251 1.900 -1.802) 5.868 10.039 ( 3.813 -3.296 -7.230) 8.814 10.039 ( 3.813 3.296 -7.230) 8.814 10.659 ( -11.693 -1.875 10.313) 15.703 10.659 ( -11.693 1.875 10.313) 15.703 10.996 ( -14.575 -6.598 -1.518) 16.071 10.996 ( -14.575 6.598 -1.518) 16.071 11.318 ( 3.745 -9.949 2.194) 10.854 11.318 ( 3.745 9.949 2.194) 10.855 11.433 ( 2.390 -9.872 13.928) 17.239 11.433 ( 2.390 9.872 13.928) 17.239 12.026 ( 2.361 -3.782 -10.283) 11.208 12.026 ( 2.361 3.782 -10.283) 11.208 12.439 ( -8.896 -7.741 -1.294) 11.863 12.439 ( -8.896 7.741 -1.294) 11.863 12.753 ( 5.760 -5.525 5.447) 9.663 12.753 ( 5.760 5.525 5.447) 9.663 12.993 ( -1.898 -3.412 6.523) 7.602 12.993 ( -1.898 3.412 6.523) 7.602 13.474 ( 3.865 -3.656 3.846) 6.565 13.474 ( 3.865 3.656 3.846) 6.565 13.601 ( 0.084 -9.070 5.899) 10.820 13.601 ( 0.084 9.070 5.899) 10.820 14.873 ( 4.477 -0.962 7.458) 8.752 14.873 ( 4.477 0.963 7.458) 8.752 15.185 ( -2.925 -7.021 5.192) 9.209 15.185 ( -2.925 7.022 5.192) 9.210 15.853 ( 1.709 -6.362 -31.576) 32.256 15.853 ( 1.709 6.363 -31.576) 32.256 15.995 ( -1.550 -1.394 -27.306) 27.385 15.995 ( -1.550 1.394 -27.306) 27.385 17.299 ( 1.592 -1.846 22.100) 22.234 17.299 ( 1.592 1.846 22.100) 22.234 17.497 ( -3.131 -5.692 16.537) 17.767 17.497 ( -3.132 5.692 16.537) 17.767 18.997 ( 1.158 -9.132 -5.286) 10.615 18.997 ( 1.158 9.132 -5.286) 10.615 19.087 ( -0.962 -11.480 -2.571) 11.803 19.087 ( -0.962 11.480 -2.571) 11.803 22.066 ( 3.654 -1.785 0.129) 4.069 22.066 ( 3.654 1.785 0.129) 4.069 22.400 ( -4.288 -2.253 -0.130) 4.846 22.400 ( -4.288 2.253 -0.129) 4.846 23.975 ( 2.502 -1.340 0.154) 2.843 23.975 ( 2.502 1.340 0.154) 2.843 24.126 ( -1.144 -1.116 0.154) 1.606 24.126 ( -1.144 1.116 0.154) 1.606 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 5.643 -4.817 -1.722) 7.616 2.906 ( 5.643 4.817 -1.722) 7.617 3.011 ( -4.894 -3.938 -1.405) 6.437 3.011 ( -4.894 3.938 -1.405) 6.437 3.235 ( 3.628 -6.809 0.572) 7.736 3.235 ( 3.628 6.809 0.572) 7.736 3.283 ( -0.293 -7.746 -0.558) 7.772 3.283 ( -0.293 7.746 -0.558) 7.772 3.421 ( -1.205 -2.286 1.687) 3.087 3.421 ( -1.205 2.287 1.687) 3.087 3.445 ( -3.323 -3.873 1.435) 5.301 3.445 ( -3.323 3.873 1.435) 5.301 3.791 ( 5.004 -1.156 0.138) 5.138 3.791 ( 5.004 1.156 0.138) 5.138 3.875 ( -3.213 -1.554 0.266) 3.579 3.875 ( -3.213 1.554 0.266) 3.579 4.433 ( 3.130 -0.828 5.052) 6.001 4.433 ( 3.130 0.828 5.052) 6.001 4.541 ( -7.408 -1.768 6.445) 9.977 4.541 ( -7.408 1.768 6.445) 9.977 5.236 ( 6.345 -1.910 -6.304) 9.146 5.236 ( 6.345 1.910 -6.304) 9.146 5.306 ( -0.676 -0.754 -5.909) 5.995 5.306 ( -0.676 0.754 -5.909) 5.995 5.919 ( -0.536 -2.807 -0.230) 2.867 5.919 ( -0.536 2.807 -0.230) 2.867 5.946 ( -2.880 -3.825 -1.167) 4.928 5.946 ( -2.880 3.826 -1.167) 4.928 7.237 ( 2.992 -2.092 -0.737) 3.724 7.237 ( 2.992 2.092 -0.738) 3.724 7.320 ( -5.374 -3.615 2.135) 6.819 7.320 ( -5.374 3.615 2.135) 6.819 7.762 ( 13.537 -4.293 2.904) 14.495 7.762 ( 13.537 4.293 2.904) 14.495 7.980 ( -6.517 -4.382 1.967) 8.096 7.980 ( -6.517 4.382 1.967) 8.096 8.258 ( 3.275 -17.896 4.084) 18.646 8.258 ( 3.275 17.896 4.084) 18.646 8.353 ( -5.272 -15.475 2.729) 16.575 8.353 ( -5.272 15.476 2.729) 16.575 9.224 ( 4.063 -4.193 -0.729) 5.884 9.224 ( 4.063 4.194 -0.728) 5.884 9.297 ( -3.530 -3.488 -2.246) 5.447 9.297 ( -3.530 3.488 -2.246) 5.447 9.577 ( 4.639 -6.548 -13.732) 15.905 9.577 ( 4.639 6.548 -13.732) 15.905 9.655 ( -2.716 -7.626 -11.844) 14.346 9.655 ( -2.716 7.626 -11.844) 14.346 10.083 ( 11.335 -2.157 0.867) 11.571 10.083 ( 11.335 2.157 0.867) 11.571 10.183 ( 8.505 -2.002 0.347) 8.744 10.183 ( 8.505 2.002 0.347) 8.744 10.426 ( -7.432 -3.898 6.422) 10.567 10.426 ( -7.432 3.898 6.422) 10.567 10.642 ( -19.825 -6.798 -2.129) 21.066 10.642 ( -19.825 6.798 -2.129) 21.066 11.390 ( 3.539 -10.880 5.257) 12.591 11.390 ( 3.539 10.880 5.257) 12.591 11.444 ( -1.469 -11.553 9.676) 15.141 11.444 ( -1.469 11.553 9.676) 15.141 12.113 ( 6.452 -1.964 -6.210) 9.168 12.113 ( 6.452 1.964 -6.210) 9.168 12.264 ( -8.601 -6.077 -2.309) 10.781 12.264 ( -8.601 6.077 -2.309) 10.781 12.856 ( 4.806 -3.824 6.080) 8.642 12.856 ( 4.806 3.825 6.080) 8.642 12.939 ( -3.548 -3.207 6.589) 8.142 12.939 ( -3.548 3.207 6.589) 8.142 13.550 ( 3.283 -6.487 4.125) 8.359 13.550 ( 3.283 6.487 4.125) 8.359 13.593 ( -1.134 -8.330 4.916) 9.739 13.593 ( -1.134 8.330 4.916) 9.739 14.984 ( 6.333 -2.214 6.392) 9.267 14.984 ( 6.333 2.215 6.392) 9.267 15.103 ( -5.378 -5.128 5.558) 9.280 15.103 ( -5.378 5.129 5.558) 9.280 15.898 ( 2.738 -4.667 -30.217) 30.698 15.898 ( 2.738 4.668 -30.217) 30.698 15.953 ( -2.646 -2.780 -28.595) 28.852 15.953 ( -2.646 2.780 -28.595) 28.852 17.347 ( 3.226 -0.489 20.576) 20.833 17.347 ( 3.226 0.489 20.576) 20.833 17.421 ( -4.164 -2.667 18.449) 19.100 17.421 ( -4.164 2.667 18.449) 19.100 19.027 ( 1.734 -10.098 -4.522) 11.199 19.027 ( 1.734 10.098 -4.522) 11.199 19.061 ( -1.624 -10.971 -3.506) 11.631 19.061 ( -1.624 10.971 -3.506) 11.631 22.164 ( 6.077 -2.091 0.062) 6.427 22.164 ( 6.077 2.091 0.062) 6.427 22.290 ( -6.445 -2.242 -0.036) 6.824 22.290 ( -6.445 2.242 -0.036) 6.824 24.035 ( 3.222 -1.857 0.153) 3.722 24.035 ( 3.222 1.857 0.153) 3.722 24.091 ( -2.408 -1.758 0.153) 2.986 24.091 ( -2.408 1.758 0.153) 2.986 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.245 ( 0.000 0.000 -27.310) 27.310 1.245 ( 0.000 0.000 27.310) 27.310 1.536 ( 0.000 0.000 -28.819) 28.819 1.536 ( 0.000 0.000 28.819) 28.819 2.335 ( 0.000 0.000 -32.237) 32.237 2.335 ( 0.000 0.000 32.237) 32.237 2.586 ( 0.000 0.000 -9.526) 9.526 2.586 ( 0.000 0.000 9.526) 9.526 2.666 ( 0.000 0.000 -8.642) 8.642 2.666 ( 0.000 0.000 8.642) 8.642 2.939 ( 0.000 0.000 -7.949) 7.949 2.939 ( 0.000 0.000 7.949) 7.949 3.013 ( 0.000 0.000 -5.716) 5.716 3.013 ( 0.000 0.000 5.716) 5.716 3.231 ( 0.000 0.000 -2.116) 2.116 3.231 ( 0.000 0.000 2.116) 2.116 3.495 ( 0.000 0.000 -8.668) 8.668 3.495 ( 0.000 0.000 8.668) 8.668 3.896 ( 0.000 0.000 -10.693) 10.693 3.896 ( 0.000 0.000 10.693) 10.693 4.479 ( 0.000 0.000 -11.179) 11.179 4.479 ( 0.000 0.000 11.179) 11.179 4.906 ( 0.000 0.000 -0.363) 0.363 4.906 ( 0.000 0.000 0.363) 0.363 4.929 ( 0.000 0.000 -9.832) 9.832 4.929 ( 0.000 0.000 9.832) 9.832 5.222 ( 0.000 0.000 -1.748) 1.748 5.222 ( 0.000 0.000 1.748) 1.748 5.775 ( 0.000 0.000 -5.270) 5.270 5.775 ( 0.000 0.000 5.270) 5.270 6.577 ( 0.000 0.000 -2.685) 2.685 6.577 ( 0.000 0.000 2.685) 2.685 7.030 ( 0.000 0.000 -3.998) 3.998 7.030 ( 0.000 0.000 3.998) 3.998 7.288 ( 0.000 0.000 -0.039) 0.039 7.288 ( 0.000 0.000 0.039) 0.039 7.615 ( 0.000 0.000 -5.304) 5.304 7.615 ( 0.000 0.000 5.304) 5.304 8.101 ( 0.000 0.000 -2.210) 2.210 8.101 ( 0.000 0.000 2.210) 2.210 8.126 ( 0.000 0.000 -10.962) 10.962 8.126 ( 0.000 0.000 10.962) 10.962 8.447 ( 0.000 0.000 -5.884) 5.884 8.447 ( 0.000 0.000 5.884) 5.884 8.910 ( 0.000 0.000 -4.826) 4.826 8.910 ( 0.000 0.000 4.826) 4.826 9.098 ( 0.000 0.000 -4.124) 4.124 9.098 ( 0.000 0.000 4.124) 4.124 9.765 ( 0.000 0.000 -12.419) 12.419 9.765 ( 0.000 0.000 12.419) 12.419 9.766 ( 0.000 0.000 -6.083) 6.083 9.766 ( 0.000 0.000 6.083) 6.083 10.322 ( 0.000 0.000 -4.465) 4.465 10.322 ( 0.000 0.000 4.465) 4.465 10.723 ( 0.000 0.000 -18.544) 18.544 10.723 ( 0.000 0.000 18.544) 18.544 11.235 ( 0.000 0.000 -10.626) 10.626 11.235 ( 0.000 0.000 10.626) 10.626 11.330 ( 0.000 0.000 -17.673) 17.673 11.330 ( 0.000 0.000 17.673) 17.673 11.638 ( 0.000 0.000 -4.637) 4.637 11.638 ( 0.000 0.000 4.637) 4.637 12.158 ( 0.000 0.000 -3.244) 3.244 12.158 ( 0.000 0.000 3.244) 3.244 12.773 ( 0.000 0.000 -22.519) 22.519 12.773 ( 0.000 0.000 22.519) 22.519 13.537 ( 0.000 0.000 -4.300) 4.300 13.537 ( 0.000 0.000 4.300) 4.300 13.709 ( 0.000 0.000 -18.503) 18.503 13.709 ( 0.000 0.000 18.503) 18.503 13.778 ( 0.000 0.000 -17.251) 17.251 13.778 ( 0.000 0.000 17.251) 17.251 14.514 ( 0.000 0.000 -3.103) 3.103 14.514 ( 0.000 0.000 3.103) 3.103 15.152 ( 0.000 0.000 -7.067) 7.067 15.152 ( 0.000 0.000 7.067) 7.067 15.456 ( 0.000 0.000 -3.980) 3.980 15.456 ( 0.000 0.000 3.980) 3.980 16.146 ( 0.000 0.000 -15.397) 15.397 16.146 ( 0.000 0.000 15.397) 15.397 18.198 ( 0.000 0.000 -26.631) 26.631 18.198 ( 0.000 0.000 26.631) 26.631 18.964 ( 0.000 0.000 -2.383) 2.383 18.964 ( 0.000 0.000 2.383) 2.383 18.971 ( 0.000 0.000 -2.407) 2.407 18.971 ( 0.000 0.000 2.407) 2.407 20.143 ( 0.000 0.000 -6.605) 6.605 20.143 ( 0.000 0.000 6.605) 6.605 21.097 ( 0.000 0.000 -6.013) 6.013 21.097 ( 0.000 0.000 6.013) 6.013 21.716 ( 0.000 0.000 -3.917) 3.917 21.716 ( 0.000 0.000 3.917) 3.917 24.157 ( 0.000 0.000 -11.379) 11.379 24.157 ( 0.000 0.000 11.379) 11.379 25.551 ( 0.000 0.000 -13.184) 13.184 25.551 ( 0.000 0.000 13.184) 13.184 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.350 ( 8.969 0.000 -23.050) 24.733 1.350 ( 8.969 0.000 23.050) 24.733 1.617 ( 7.800 0.000 -25.709) 26.866 1.617 ( 7.800 0.000 25.709) 26.866 2.371 ( -4.556 0.000 -11.067) 11.968 2.371 ( -4.556 0.000 11.067) 11.968 2.540 ( -11.020 0.000 -10.201) 15.016 2.540 ( -11.020 0.000 10.201) 15.016 2.584 ( 9.231 0.000 -30.444) 31.813 2.584 ( 9.231 0.000 30.444) 31.813 2.892 ( -3.158 0.000 -3.862) 4.988 2.892 ( -3.158 0.000 3.862) 4.988 3.032 ( 1.156 0.000 -4.581) 4.725 3.032 ( 1.156 0.000 4.581) 4.725 3.264 ( 2.651 0.000 -1.630) 3.112 3.264 ( 2.651 0.000 1.630) 3.112 3.561 ( 3.698 0.000 -8.063) 8.871 3.561 ( 3.698 0.000 8.063) 8.871 3.879 ( -3.846 0.000 -12.059) 12.657 3.879 ( -3.846 0.000 12.059) 12.657 4.415 ( -3.400 0.000 -9.762) 10.337 4.415 ( -3.400 0.000 9.762) 10.337 4.921 ( -1.055 0.000 -8.156) 8.224 4.921 ( -1.055 0.000 8.156) 8.224 4.940 ( 3.259 0.000 -0.488) 3.296 4.940 ( 3.259 0.000 0.488) 3.296 5.195 ( -2.675 0.000 -1.622) 3.128 5.195 ( -2.675 0.000 1.622) 3.128 5.842 ( 5.801 0.000 -5.145) 7.754 5.842 ( 5.801 0.000 5.145) 7.754 6.477 ( -6.742 0.000 -1.999) 7.033 6.477 ( -6.742 0.000 1.999) 7.033 7.146 ( 5.672 0.000 -5.667) 8.018 7.146 ( 5.672 0.000 5.667) 8.018 7.398 ( 9.647 0.000 -4.491) 10.641 7.398 ( 9.647 0.000 4.491) 10.641 7.704 ( 8.860 0.000 -7.608) 11.678 7.704 ( 8.860 0.000 7.608) 11.678 8.086 ( -0.760 0.000 -6.567) 6.611 8.086 ( -0.760 0.000 6.567) 6.611 8.104 ( 0.248 0.000 -1.786) 1.803 8.104 ( 0.248 0.000 1.786) 1.803 8.423 ( -2.445 0.000 -1.726) 2.993 8.423 ( -2.445 0.000 1.726) 2.993 8.961 ( 4.905 0.000 -4.488) 6.648 8.961 ( 4.905 0.000 4.488) 6.648 9.095 ( -0.276 0.000 -3.719) 3.729 9.095 ( -0.276 0.000 3.719) 3.729 9.672 ( -9.065 0.000 -11.725) 14.821 9.672 ( -9.065 0.000 11.725) 14.821 9.677 ( -7.982 0.000 -4.008) 8.932 9.677 ( -7.982 0.000 4.008) 8.932 10.189 ( -11.403 0.000 -6.406) 13.079 10.189 ( -11.403 0.000 6.406) 13.079 10.792 ( 6.128 0.000 -16.078) 17.206 10.792 ( 6.128 0.000 16.078) 17.206 11.207 ( -2.827 0.000 -10.495) 10.869 11.207 ( -2.827 0.000 10.495) 10.869 11.224 ( -6.767 0.000 -12.297) 14.036 11.224 ( -6.767 0.000 12.297) 14.036 11.803 ( 11.032 0.000 -11.584) 15.996 11.803 ( 11.032 0.000 11.584) 15.996 12.219 ( 5.550 0.000 -7.782) 9.559 12.219 ( 5.550 0.000 7.782) 9.559 12.807 ( 2.823 0.000 -17.014) 17.247 12.807 ( 2.823 0.000 17.014) 17.247 13.539 ( 0.312 0.000 -3.938) 3.950 13.539 ( 0.312 0.000 3.938) 3.950 13.716 ( 0.638 0.000 -18.258) 18.269 13.716 ( 0.638 0.000 18.258) 18.269 13.772 ( -0.612 0.000 -17.245) 17.256 13.772 ( -0.612 0.000 17.245) 17.256 14.541 ( 2.574 0.000 -3.821) 4.607 14.541 ( 2.574 0.000 3.821) 4.607 15.138 ( -2.556 0.000 -7.169) 7.611 15.138 ( -2.556 0.000 7.169) 7.611 15.460 ( 1.292 0.000 -3.989) 4.193 15.460 ( 1.292 0.000 3.989) 4.193 16.081 ( -5.868 0.000 -13.276) 14.515 16.081 ( -5.868 0.000 13.276) 14.515 18.232 ( 3.189 0.000 -24.033) 24.244 18.232 ( 3.189 0.000 24.033) 24.244 18.963 ( -0.060 0.000 -1.589) 1.590 18.963 ( -0.060 0.000 1.589) 1.590 18.971 ( 0.061 0.000 -1.608) 1.609 18.971 ( 0.061 0.000 1.608) 1.609 20.057 ( -9.703 0.000 -10.304) 14.153 20.057 ( -9.703 0.000 10.304) 14.153 21.045 ( -7.036 0.000 -7.942) 10.611 21.045 ( -7.036 0.000 7.942) 10.611 21.292 ( -25.842 0.000 -12.775) 28.827 21.292 ( -25.842 0.000 12.775) 28.827 24.371 ( 13.377 0.000 -14.216) 19.520 24.371 ( 13.377 0.000 14.216) 19.520 25.687 ( 11.422 0.000 -8.818) 14.430 25.687 ( 11.422 0.000 8.818) 14.430 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.521 ( 6.540 0.000 -11.467) 13.201 1.521 ( 6.540 0.000 11.467) 13.201 1.797 ( 8.235 0.000 -14.407) 16.595 1.797 ( 8.235 0.000 14.407) 16.595 2.188 ( -8.128 0.000 -5.835) 10.006 2.188 ( -8.128 0.000 5.835) 10.006 2.313 ( -9.506 0.000 -8.782) 12.942 2.313 ( -9.506 0.000 8.782) 12.942 2.824 ( -0.176 0.000 -1.500) 1.510 2.824 ( -0.176 0.000 1.500) 1.510 2.995 ( 24.341 0.000 -27.906) 37.030 2.995 ( 24.341 0.000 27.906) 37.030 3.046 ( 0.297 0.000 -1.674) 1.700 3.046 ( 0.297 0.000 1.674) 1.700 3.307 ( 1.306 0.000 -0.590) 1.434 3.307 ( 1.306 0.000 0.590) 1.434 3.472 ( -17.801 0.000 -6.975) 19.119 3.472 ( -17.801 0.000 6.975) 19.119 3.750 ( -3.173 0.000 -7.749) 8.373 3.750 ( -3.173 0.000 7.749) 8.373 4.440 ( 3.635 0.000 -4.216) 5.567 4.440 ( 3.635 0.000 4.216) 5.567 4.886 ( -1.906 0.000 -4.642) 5.019 4.886 ( -1.906 0.000 4.642) 5.019 5.022 ( 4.718 0.000 -0.806) 4.787 5.022 ( 4.718 0.000 0.806) 4.787 5.123 ( -4.363 0.000 -1.244) 4.537 5.123 ( -4.363 0.000 1.244) 4.537 5.953 ( 4.065 0.000 -2.552) 4.799 5.953 ( 4.065 0.000 2.552) 4.799 6.371 ( -3.470 0.000 -1.987) 3.998 6.371 ( -3.470 0.000 1.987) 3.998 7.206 ( 1.278 0.000 -2.520) 2.825 7.206 ( 1.278 0.000 2.520) 2.825 7.473 ( -1.144 0.000 -2.559) 2.803 7.473 ( -1.144 0.000 2.559) 2.803 7.941 ( 13.172 0.000 -7.221) 15.021 7.941 ( 13.172 0.000 7.221) 15.021 8.108 ( 0.160 0.000 -0.681) 0.700 8.108 ( 0.160 0.000 0.681) 0.700 8.131 ( -2.425 0.000 -1.420) 2.810 8.131 ( -2.425 0.000 1.420) 2.810 8.425 ( 6.165 0.000 -2.613) 6.696 8.425 ( 6.165 0.000 2.613) 6.696 9.067 ( 3.481 0.000 -3.831) 5.176 9.067 ( 3.481 0.000 3.831) 5.176 9.096 ( 1.368 0.000 -3.486) 3.745 9.096 ( 1.368 0.000 3.486) 3.745 9.433 ( -12.338 0.000 -4.775) 13.230 9.433 ( -12.338 0.000 4.775) 13.230 9.514 ( -6.586 0.000 -1.213) 6.697 9.514 ( -6.586 0.000 1.213) 6.697 10.001 ( -5.286 0.000 -3.450) 6.312 10.001 ( -5.286 0.000 3.450) 6.312 10.918 ( 5.258 0.000 -9.500) 10.858 10.918 ( 5.258 0.000 9.500) 10.858 11.127 ( -2.649 0.000 -4.522) 5.241 11.127 ( -2.649 0.000 4.522) 5.241 11.136 ( -3.560 0.000 -7.707) 8.489 11.136 ( -3.560 0.000 7.707) 8.489 11.957 ( 4.031 0.000 -6.081) 7.296 11.957 ( 4.031 0.000 6.081) 7.296 12.327 ( 3.805 0.000 -6.258) 7.324 12.327 ( 3.805 0.000 6.258) 7.324 12.854 ( 1.495 0.000 -5.910) 6.096 12.854 ( 1.495 0.000 5.910) 6.096 13.550 ( 0.556 0.000 -1.735) 1.822 13.550 ( 0.556 0.000 1.735) 1.822 13.732 ( 0.923 0.000 -16.236) 16.262 13.732 ( 0.923 0.000 16.236) 16.262 13.756 ( -0.906 0.000 -15.850) 15.876 13.756 ( -0.906 0.000 15.850) 15.876 14.600 ( 2.701 0.000 -3.261) 4.234 14.600 ( 2.701 0.000 3.261) 4.234 15.046 ( -4.796 0.000 -5.496) 7.295 15.046 ( -4.796 0.000 5.496) 7.295 15.513 ( 2.795 0.000 -1.828) 3.339 15.513 ( 2.795 0.000 1.828) 3.339 15.968 ( -4.068 0.000 -5.447) 6.798 15.968 ( -4.068 0.000 5.447) 6.798 18.298 ( 2.591 0.000 -11.449) 11.738 18.298 ( 2.591 0.000 11.449) 11.738 18.962 ( -0.030 0.000 -0.492) 0.493 18.962 ( -0.030 0.000 0.492) 0.493 18.972 ( 0.031 0.000 -0.499) 0.500 18.972 ( 0.031 0.000 0.499) 0.500 19.813 ( -10.190 0.000 -9.455) 13.901 19.813 ( -10.190 0.000 9.455) 13.901 20.839 ( -6.317 0.000 -5.372) 8.292 20.839 ( -6.317 0.000 5.372) 8.292 21.082 ( -2.634 0.000 -3.333) 4.248 21.082 ( -2.634 0.000 3.333) 4.248 24.538 ( 3.825 0.000 -5.751) 6.907 24.538 ( 3.825 0.000 5.751) 6.907 25.876 ( 5.640 0.000 -2.883) 6.334 25.876 ( 5.640 0.000 2.883) 6.334 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.000 10.757 -20.174) 22.863 1.365 ( 0.000 10.757 20.174) 22.863 1.499 ( 0.000 1.947 -24.588) 24.665 1.499 ( 0.000 1.947 24.588) 24.665 2.494 ( 0.000 4.793 -4.743) 6.743 2.494 ( 0.000 4.793 4.743) 6.743 2.681 ( 0.000 18.701 -28.328) 33.944 2.681 ( 0.000 18.701 28.328) 33.944 2.807 ( 0.000 11.195 -6.605) 12.998 2.807 ( 0.000 11.195 6.605) 12.998 2.968 ( 0.000 3.435 -8.245) 8.932 2.968 ( 0.000 3.435 8.245) 8.932 3.040 ( 0.000 2.419 -2.978) 3.837 3.040 ( 0.000 2.419 2.978) 3.837 3.317 ( 0.000 7.753 -0.444) 7.766 3.317 ( 0.000 7.753 0.444) 7.766 3.519 ( 0.000 1.583 -5.596) 5.815 3.519 ( 0.000 1.583 5.596) 5.815 3.838 ( 0.000 -1.950 -10.993) 11.164 3.838 ( 0.000 -1.950 10.993) 11.164 4.470 ( 0.000 -0.210 -11.541) 11.543 4.470 ( 0.000 -0.210 11.541) 11.543 4.861 ( 0.000 -1.533 -10.749) 10.858 4.861 ( 0.000 -1.533 10.749) 10.858 5.280 ( 0.000 26.979 -1.879) 27.044 5.280 ( 0.000 26.979 1.879) 27.044 5.490 ( 0.000 25.066 -2.619) 25.203 5.490 ( 0.000 25.066 2.619) 25.203 5.816 ( 0.000 4.862 -4.254) 6.460 5.816 ( 0.000 4.862 4.254) 6.460 6.503 ( 0.000 -5.129 -0.307) 5.138 6.503 ( 0.000 -5.129 0.307) 5.138 7.025 ( 0.000 -0.183 -3.937) 3.941 7.025 ( 0.000 -0.183 3.937) 3.941 7.303 ( 0.000 1.919 -0.230) 1.933 7.303 ( 0.000 1.919 0.230) 1.933 7.576 ( 0.000 -3.130 -5.460) 6.293 7.576 ( 0.000 -3.130 5.460) 6.293 8.115 ( 0.000 2.071 -9.353) 9.579 8.115 ( 0.000 2.071 9.353) 9.579 8.338 ( 0.000 12.333 -0.972) 12.371 8.338 ( 0.000 12.333 0.972) 12.371 8.360 ( 0.000 -1.213 -2.904) 3.147 8.360 ( 0.000 -1.213 2.904) 3.147 9.035 ( 0.000 6.489 -4.136) 7.695 9.035 ( 0.000 6.489 4.136) 7.695 9.091 ( 0.000 2.950 -4.662) 5.516 9.091 ( 0.000 2.950 4.662) 5.516 9.685 ( 0.000 0.126 -3.655) 3.657 9.685 ( 0.000 0.126 3.655) 3.657 9.923 ( 0.000 4.834 -2.311) 5.358 9.923 ( 0.000 4.834 2.311) 5.358 10.178 ( 0.000 1.852 -7.291) 7.522 10.178 ( 0.000 1.852 7.291) 7.522 10.965 ( 0.000 -7.161 -0.125) 7.162 10.965 ( 0.000 -7.161 0.125) 7.162 11.144 ( 0.000 14.390 -4.628) 15.115 11.144 ( 0.000 14.390 4.628) 15.115 11.428 ( 0.000 4.859 -6.602) 8.197 11.428 ( 0.000 4.859 6.602) 8.197 11.801 ( 0.000 12.819 -6.125) 14.207 11.801 ( 0.000 12.819 6.125) 14.207 12.230 ( 0.000 6.697 -6.091) 9.052 12.230 ( 0.000 6.697 6.091) 9.052 12.749 ( 0.000 -2.792 -20.943) 21.128 12.749 ( 0.000 -2.792 20.943) 21.128 13.199 ( 0.000 -25.107 -10.307) 27.140 13.199 ( 0.000 -25.107 10.307) 27.140 13.377 ( 0.000 -26.767 -16.845) 31.627 13.377 ( 0.000 -26.767 16.845) 31.627 13.870 ( 0.000 3.498 -11.707) 12.218 13.870 ( 0.000 3.498 11.707) 12.218 14.564 ( 0.000 2.868 -3.883) 4.827 14.564 ( 0.000 2.868 3.883) 4.827 15.413 ( 0.000 19.099 -7.317) 20.452 15.413 ( 0.000 19.099 7.317) 20.452 15.542 ( 0.000 9.230 -3.089) 9.733 15.542 ( 0.000 9.230 3.089) 9.733 16.130 ( 0.000 -1.182 -14.380) 14.429 16.130 ( 0.000 -1.182 14.380) 14.429 17.989 ( 0.000 -17.668 -14.914) 23.121 17.989 ( 0.000 -17.668 14.914) 23.121 18.361 ( 0.000 -41.959 -6.032) 42.390 18.361 ( 0.000 -41.959 6.032) 42.390 19.016 ( 0.000 2.754 -15.787) 16.025 19.016 ( 0.000 2.754 15.787) 16.025 20.514 ( 0.000 16.372 -2.782) 16.607 20.514 ( 0.000 16.372 2.782) 16.607 21.310 ( 0.000 20.218 -3.496) 20.519 21.310 ( 0.000 20.218 3.496) 20.519 21.769 ( 0.000 7.543 -4.752) 8.915 21.769 ( 0.000 7.543 4.752) 8.915 24.112 ( 0.000 -3.726 -10.713) 11.343 24.112 ( 0.000 -3.726 10.713) 11.343 25.422 ( 0.000 -12.286 -11.344) 16.722 25.422 ( 0.000 -12.286 11.344) 16.722 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 7.203 8.897 -18.420) 21.687 1.445 ( 7.203 8.897 18.420) 21.687 1.619 ( 10.899 3.559 -23.704) 26.332 1.619 ( 10.899 3.559 23.704) 26.332 2.398 ( -8.936 2.807 -5.823) 11.029 2.398 ( -8.936 2.807 5.823) 11.029 2.634 ( -12.163 8.530 -5.599) 15.876 2.634 ( -12.163 8.530 5.599) 15.876 2.795 ( 7.939 16.429 -19.193) 26.482 2.795 ( 7.939 16.429 19.193) 26.482 2.930 ( 0.074 6.450 -8.806) 10.915 2.930 ( 0.074 6.450 8.806) 10.915 3.090 ( 1.699 5.240 -4.077) 6.853 3.090 ( 1.699 5.240 4.077) 6.853 3.343 ( 2.480 6.909 -1.738) 7.544 3.343 ( 2.480 6.909 1.738) 7.544 3.564 ( 2.510 0.603 -6.667) 7.150 3.564 ( 2.510 0.603 6.667) 7.150 3.849 ( -0.838 -0.206 -10.855) 10.889 3.849 ( -0.838 -0.206 10.855) 10.889 4.416 ( -3.726 0.658 -9.287) 10.029 4.416 ( -3.726 0.658 9.287) 10.029 4.856 ( -0.264 -1.893 -8.351) 8.567 4.856 ( -0.264 -1.893 8.351) 8.567 5.303 ( 2.109 27.529 -2.492) 27.722 5.303 ( 2.109 27.529 2.492) 27.722 5.478 ( -1.452 26.347 -2.197) 26.478 5.478 ( -1.452 26.347 2.197) 26.478 5.864 ( 4.346 2.752 -4.424) 6.785 5.864 ( 4.346 2.752 4.424) 6.785 6.439 ( -4.910 -2.849 -2.111) 6.056 6.439 ( -4.910 -2.849 2.111) 6.056 7.115 ( 5.704 -2.047 -4.357) 7.464 7.115 ( 5.704 -2.047 4.357) 7.464 7.378 ( 6.893 -0.358 -1.915) 7.163 7.378 ( 6.893 -0.358 1.915) 7.163 7.654 ( 7.624 -3.757 -5.551) 10.152 7.654 ( 7.624 -3.757 5.551) 10.152 8.040 ( -5.485 0.233 -4.541) 7.125 8.040 ( -5.485 0.233 4.541) 7.125 8.291 ( -2.475 2.348 -2.205) 4.062 8.291 ( -2.475 2.348 2.205) 4.062 8.459 ( 7.427 12.698 -4.003) 15.246 8.459 ( 7.427 12.698 4.003) 15.246 9.054 ( 0.401 -1.196 -3.012) 3.266 9.054 ( 0.401 -1.196 3.012) 3.266 9.116 ( 3.467 10.585 -2.110) 11.337 9.116 ( 3.467 10.585 2.110) 11.337 9.586 ( -9.298 -1.133 -7.143) 11.780 9.586 ( -9.298 -1.133 7.143) 11.780 9.851 ( -6.886 8.506 -5.260) 12.143 9.851 ( -6.886 8.506 5.260) 12.143 10.165 ( -2.047 4.708 -4.047) 6.537 10.165 ( -2.047 4.708 4.047) 6.537 10.942 ( -1.561 -3.822 -3.163) 5.201 10.942 ( -1.561 -3.822 3.163) 5.201 11.053 ( -5.979 4.137 -0.646) 7.299 11.053 ( -5.979 4.137 0.646) 7.299 11.376 ( -5.051 9.593 -2.256) 11.073 11.376 ( -5.051 9.593 2.256) 11.073 11.883 ( 6.291 6.411 -9.566) 13.122 11.883 ( 6.291 6.411 9.566) 13.122 12.311 ( 6.775 7.159 -7.993) 12.690 12.311 ( 6.775 7.159 7.993) 12.690 12.780 ( 2.629 -3.088 -15.273) 15.802 12.780 ( 2.629 -3.088 15.273) 15.802 13.187 ( -1.047 -26.361 -6.964) 27.285 13.187 ( -1.047 -26.361 6.964) 27.285 13.408 ( 2.787 -24.214 -12.258) 27.282 13.408 ( 2.787 -24.214 12.258) 27.282 13.853 ( -1.383 2.534 -10.150) 10.553 13.853 ( -1.383 2.534 10.150) 10.553 14.620 ( 5.205 5.227 -4.765) 8.782 14.620 ( 5.205 5.227 4.765) 8.782 15.384 ( -5.027 17.232 -9.379) 20.253 15.384 ( -5.027 17.232 9.379) 20.253 15.538 ( 1.492 9.207 -4.685) 10.437 15.538 ( 1.492 9.207 4.685) 10.437 16.075 ( -4.877 -0.137 -11.832) 12.798 16.075 ( -4.877 -0.137 11.832) 12.798 18.005 ( 1.511 -18.555 -13.088) 22.757 18.005 ( 1.511 -18.555 13.088) 22.757 18.354 ( -0.656 -41.735 -5.477) 42.098 18.354 ( -0.656 -41.735 5.477) 42.098 19.040 ( 2.362 3.986 -14.802) 15.510 19.040 ( 2.362 3.986 14.802) 15.510 20.433 ( -9.513 13.868 -9.317) 19.226 20.433 ( -9.513 13.868 9.317) 19.226 21.257 ( -7.874 21.583 -4.954) 23.502 21.257 ( -7.874 21.583 4.954) 23.502 21.420 ( -20.068 15.389 -10.115) 27.237 21.420 ( -20.068 15.389 10.115) 27.237 24.307 ( 12.708 -5.855 -13.207) 19.241 24.307 ( 12.708 -5.855 13.207) 19.241 25.539 ( 10.027 -14.053 -7.690) 18.899 25.539 ( 10.027 -14.053 7.690) 18.899 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 6.691 8.116 -9.741) 14.336 1.601 ( 6.691 8.116 9.741) 14.336 1.835 ( 7.998 4.773 -13.925) 16.752 1.835 ( 7.998 4.773 13.925) 16.752 2.236 ( -3.500 3.884 -5.366) 7.492 2.236 ( -3.500 3.884 5.366) 7.492 2.362 ( -13.201 5.762 -7.239) 16.121 2.362 ( -13.201 5.762 7.239) 16.121 2.854 ( -0.605 3.413 -1.019) 3.613 2.854 ( -0.605 3.413 1.019) 3.613 3.095 ( 2.079 5.436 -4.857) 7.580 3.095 ( 2.079 5.436 4.857) 7.580 3.164 ( 17.437 14.112 -19.175) 29.511 3.164 ( 17.437 14.112 19.175) 29.511 3.384 ( 0.780 6.852 -1.861) 7.143 3.384 ( 0.780 6.852 1.861) 7.143 3.525 ( -9.945 5.253 -2.696) 11.566 3.525 ( -9.945 5.253 2.696) 11.566 3.752 ( -4.945 2.398 -9.370) 10.863 3.752 ( -4.945 2.398 9.370) 10.863 4.401 ( 1.439 -1.974 -3.681) 4.418 4.401 ( 1.439 -1.974 3.681) 4.418 4.854 ( 0.021 -1.627 -3.350) 3.724 4.854 ( 0.021 -1.627 3.350) 3.724 5.353 ( 2.753 28.055 -2.423) 28.294 5.353 ( 2.753 28.055 2.423) 28.294 5.432 ( -2.851 28.334 -1.818) 28.535 5.432 ( -2.851 28.334 1.818) 28.535 5.949 ( 3.165 0.034 -2.343) 3.938 5.949 ( 3.165 0.034 2.343) 3.938 6.355 ( -2.878 -1.402 -1.650) 3.601 6.355 ( -2.878 -1.402 1.650) 3.601 7.181 ( 1.329 -1.311 -1.726) 2.542 7.181 ( 1.329 -1.311 1.726) 2.542 7.471 ( 1.392 -0.048 -1.834) 2.303 7.471 ( 1.392 -0.048 1.834) 2.303 7.841 ( 8.481 -7.113 -3.090) 11.492 7.841 ( 8.481 -7.113 3.090) 11.492 7.990 ( 1.131 -2.675 -1.333) 3.196 7.990 ( 1.131 -2.675 1.333) 3.196 8.200 ( -6.294 -0.121 -2.908) 6.934 8.200 ( -6.294 -0.121 2.908) 6.934 8.674 ( 12.490 19.552 -4.727) 23.678 8.674 ( 12.490 19.552 4.727) 23.678 9.036 ( -1.935 -4.403 -2.017) 5.215 9.036 ( -1.935 -4.403 2.017) 5.215 9.207 ( 4.159 11.408 -0.819) 12.170 9.207 ( 4.159 11.408 0.819) 12.170 9.357 ( -11.552 -1.404 -4.914) 12.632 9.357 ( -11.552 -1.404 4.914) 12.632 9.710 ( -5.492 12.812 -3.261) 14.316 9.710 ( -5.492 12.812 3.261) 14.316 10.107 ( -2.446 10.992 -0.799) 11.290 10.107 ( -2.446 10.992 0.799) 11.290 10.933 ( 0.221 -0.409 -7.353) 7.368 10.933 ( 0.221 -0.409 7.353) 7.368 10.975 ( -1.502 -8.826 -5.021) 10.265 10.975 ( -1.502 -8.826 5.021) 10.265 11.278 ( -3.546 11.149 -0.311) 11.703 11.278 ( -3.546 11.149 0.311) 11.703 11.978 ( 2.665 2.315 -4.466) 5.692 11.978 ( 2.665 2.315 4.466) 5.692 12.427 ( 3.679 5.795 -4.966) 8.473 12.427 ( 3.679 5.795 4.966) 8.473 12.827 ( 1.611 -2.808 -5.194) 6.120 12.827 ( 1.611 -2.808 5.194) 6.120 13.168 ( -0.703 -28.383 -2.075) 28.468 13.168 ( -0.703 -28.383 2.075) 28.468 13.462 ( 1.943 -20.704 -4.196) 21.214 13.462 ( 1.943 -20.704 4.196) 21.214 13.829 ( -0.777 1.161 -4.389) 4.606 13.829 ( -0.777 1.161 4.389) 4.606 14.734 ( 4.988 10.111 -4.288) 12.062 14.734 ( 4.988 10.111 4.288) 12.062 15.235 ( -7.047 11.937 -6.933) 15.499 15.235 ( -7.047 11.937 6.933) 15.499 15.598 ( 2.887 10.310 -2.238) 10.938 15.598 ( 2.887 10.310 2.238) 10.938 15.982 ( -3.366 1.599 -4.452) 5.806 15.982 ( -3.366 1.599 4.452) 5.806 18.035 ( 1.087 -20.260 -5.822) 21.107 18.035 ( 1.087 -20.260 5.822) 21.107 18.341 ( -0.517 -41.239 -2.636) 41.326 18.341 ( -0.517 -41.239 2.636) 41.326 19.093 ( 2.265 6.544 -7.834) 10.456 19.093 ( 2.265 6.544 7.834) 10.456 20.182 ( -10.711 11.616 -9.640) 18.509 20.182 ( -10.711 11.616 9.640) 18.509 21.054 ( -5.119 25.407 -3.529) 26.157 21.054 ( -5.119 25.407 3.529) 26.157 21.276 ( -2.045 18.789 -2.296) 19.039 21.276 ( -2.045 18.789 2.296) 19.039 24.471 ( 3.885 -6.430 -5.502) 9.312 24.471 ( 3.885 -6.430 5.502) 9.312 25.710 ( 5.314 -15.778 -2.218) 16.796 25.710 ( 5.314 -15.778 2.218) 16.796 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 15.092 -9.237) 17.694 1.598 ( 0.000 15.092 9.237) 17.694 1.744 ( 0.000 19.285 -7.885) 20.835 1.744 ( 0.000 19.285 7.885) 20.835 2.581 ( 0.000 6.020 -0.058) 6.020 2.581 ( 0.000 6.020 0.058) 6.020 3.023 ( 0.000 10.827 -3.426) 11.356 3.023 ( 0.000 10.827 3.426) 11.356 3.063 ( 0.000 7.079 -3.840) 8.054 3.063 ( 0.000 7.079 3.840) 8.054 3.100 ( 0.000 7.989 -4.067) 8.964 3.100 ( 0.000 7.989 4.067) 8.964 3.202 ( 0.000 23.115 -19.743) 30.399 3.202 ( 0.000 23.115 19.743) 30.399 3.431 ( 0.000 1.141 -5.697) 5.810 3.431 ( 0.000 1.141 5.697) 5.810 3.593 ( 0.000 9.023 -2.045) 9.252 3.593 ( 0.000 9.023 2.045) 9.252 3.913 ( 0.000 8.759 -9.097) 12.629 3.913 ( 0.000 8.759 9.097) 12.629 4.490 ( 0.000 2.481 -11.680) 11.940 4.490 ( 0.000 2.481 11.680) 11.940 4.835 ( 0.000 -1.046 -10.858) 10.908 4.835 ( 0.000 -1.046 10.858) 10.908 5.686 ( 0.000 9.768 -2.717) 10.139 5.686 ( 0.000 9.768 2.717) 10.139 5.997 ( 0.000 10.941 -1.592) 11.056 5.997 ( 0.000 10.941 1.592) 11.056 6.129 ( 0.000 35.247 -1.885) 35.297 6.129 ( 0.000 35.247 1.885) 35.297 6.510 ( 0.000 10.342 -2.360) 10.608 6.510 ( 0.000 10.342 2.360) 10.608 7.033 ( 0.000 1.293 -3.085) 3.345 7.033 ( 0.000 1.293 3.085) 3.345 7.376 ( 0.000 5.724 -3.075) 6.498 7.376 ( 0.000 5.724 3.075) 6.498 7.528 ( 0.000 -0.767 -1.683) 1.850 7.528 ( 0.000 -0.767 1.683) 1.850 8.176 ( 0.000 4.118 -5.687) 7.021 8.176 ( 0.000 4.118 5.687) 7.021 8.275 ( 0.000 -0.102 -5.289) 5.290 8.275 ( 0.000 -0.102 5.289) 5.290 8.715 ( 0.000 17.779 -3.903) 18.203 8.715 ( 0.000 17.779 3.903) 18.203 9.013 ( 0.000 -0.844 -2.268) 2.420 9.013 ( 0.000 -0.844 2.268) 2.420 9.319 ( 0.000 14.329 -0.832) 14.353 9.319 ( 0.000 14.329 0.832) 14.353 9.753 ( 0.000 5.219 -0.746) 5.272 9.753 ( 0.000 5.219 0.746) 5.272 10.024 ( 0.000 9.388 -6.587) 11.468 10.024 ( 0.000 9.388 6.587) 11.468 10.403 ( 0.000 14.537 -4.656) 15.264 10.403 ( 0.000 14.537 4.656) 15.264 10.778 ( 0.000 -6.938 -1.625) 7.126 10.778 ( 0.000 -6.938 1.625) 7.126 11.296 ( 0.000 0.140 -6.873) 6.875 11.296 ( 0.000 0.140 6.873) 6.875 11.533 ( 0.000 -0.417 -12.931) 12.938 11.533 ( 0.000 -0.417 12.931) 12.938 12.030 ( 0.000 7.996 -8.548) 11.705 12.030 ( 0.000 7.996 8.548) 11.705 12.341 ( 0.000 0.678 -3.158) 3.230 12.341 ( 0.000 0.678 3.158) 3.230 12.559 ( 0.000 -18.610 -5.276) 19.343 12.559 ( 0.000 -18.610 5.276) 19.343 12.756 ( 0.000 -12.876 -27.438) 30.309 12.756 ( 0.000 -12.876 27.438) 30.309 12.995 ( 0.000 -5.277 -22.843) 23.445 12.995 ( 0.000 -5.277 22.843) 23.445 13.880 ( 0.000 -1.708 -10.212) 10.354 13.880 ( 0.000 -1.708 10.212) 10.354 14.605 ( 0.000 1.581 -7.161) 7.333 14.605 ( 0.000 1.581 7.161) 7.333 15.584 ( 0.000 1.336 -8.787) 8.888 15.584 ( 0.000 1.336 8.787) 8.888 15.869 ( 0.000 16.014 -6.163) 17.159 15.869 ( 0.000 16.014 6.163) 17.159 16.123 ( 0.000 0.553 -10.471) 10.485 16.123 ( 0.000 0.553 10.471) 10.485 17.598 ( 0.000 -22.336 -4.780) 22.842 17.598 ( 0.000 -22.336 4.780) 22.842 17.681 ( 0.000 -21.641 -1.161) 21.672 17.681 ( 0.000 -21.641 1.161) 21.672 19.021 ( 0.000 -2.218 -28.387) 28.474 19.021 ( 0.000 -2.218 28.387) 28.474 20.528 ( 0.000 -11.930 -8.970) 14.926 20.528 ( 0.000 -11.930 8.970) 14.926 21.787 ( 0.000 25.312 -1.066) 25.335 21.787 ( 0.000 25.312 1.066) 25.335 22.015 ( 0.000 14.309 -3.745) 14.791 22.015 ( 0.000 14.309 3.745) 14.791 24.053 ( 0.000 -1.436 -6.893) 7.041 24.053 ( 0.000 -1.436 6.893) 7.041 25.106 ( 0.000 -18.846 -8.618) 20.723 25.106 ( 0.000 -18.846 8.618) 20.723 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 7.331 14.921 -7.373) 18.186 1.676 ( 7.331 14.921 7.373) 18.186 1.826 ( 7.716 16.187 -10.328) 20.693 1.826 ( 7.716 16.187 10.328) 20.693 2.503 ( -7.239 7.830 -3.174) 11.126 2.503 ( -7.239 7.830 3.174) 11.126 2.803 ( -15.400 7.763 -5.941) 18.241 2.803 ( -15.400 7.763 5.941) 18.241 2.996 ( -2.284 8.710 -1.957) 9.214 2.996 ( -2.284 8.710 1.957) 9.214 3.204 ( 1.340 6.870 -4.409) 8.272 3.204 ( 1.340 6.870 4.409) 8.272 3.295 ( 8.325 21.252 -17.650) 28.853 3.295 ( 8.325 21.252 17.650) 28.853 3.461 ( 4.186 5.101 -4.167) 7.804 3.461 ( 4.186 5.101 4.167) 7.804 3.644 ( 3.071 8.842 -4.457) 10.367 3.644 ( 3.071 8.842 4.457) 10.367 3.933 ( 1.042 8.232 -9.529) 12.636 3.933 ( 1.042 8.232 9.529) 12.636 4.457 ( -3.035 3.648 -9.371) 10.504 4.457 ( -3.035 3.648 9.371) 10.504 4.825 ( -0.581 -1.311 -8.667) 8.785 4.825 ( -0.581 -1.311 8.667) 8.785 5.738 ( 4.778 9.620 -2.148) 10.954 5.738 ( 4.778 9.620 2.148) 10.954 6.001 ( 0.098 10.830 -0.947) 10.871 6.001 ( 0.098 10.830 0.947) 10.871 6.135 ( 0.665 35.823 -1.957) 35.883 6.135 ( 0.665 35.823 1.957) 35.883 6.467 ( -4.139 10.719 -2.194) 11.698 6.467 ( -4.139 10.719 2.194) 11.698 7.099 ( 5.609 0.588 -2.922) 6.352 7.099 ( 5.609 0.588 2.922) 6.352 7.409 ( 3.144 3.483 -1.858) 5.047 7.409 ( 3.144 3.483 1.858) 5.047 7.595 ( 6.386 -1.298 -1.635) 6.719 7.595 ( 6.386 -1.298 1.635) 6.719 8.087 ( -6.074 5.160 -1.435) 8.098 8.087 ( -6.074 5.160 1.435) 8.098 8.285 ( -0.933 1.221 -2.724) 3.127 8.285 ( -0.933 1.221 2.724) 3.127 8.786 ( 6.640 14.745 -4.680) 16.835 8.786 ( 6.640 14.745 4.680) 16.835 9.015 ( 0.354 1.170 -3.496) 3.703 9.015 ( 0.354 1.170 3.496) 3.703 9.359 ( 3.047 11.733 -2.324) 12.343 9.359 ( 3.047 11.733 2.324) 12.343 9.658 ( -8.070 8.665 -8.954) 14.845 9.658 ( -8.070 8.665 8.954) 14.845 10.015 ( -1.423 10.234 -8.007) 13.072 10.015 ( -1.423 10.234 8.007) 13.072 10.395 ( -1.359 13.078 -5.756) 14.353 10.395 ( -1.359 13.078 5.756) 14.353 10.776 ( 0.479 -5.215 -3.237) 6.156 10.776 ( 0.479 -5.215 3.237) 6.156 11.164 ( -10.067 2.574 -2.339) 10.651 11.164 ( -10.067 2.574 2.339) 10.651 11.521 ( -2.871 -0.507 -8.024) 8.537 11.521 ( -2.871 -0.507 8.024) 8.537 12.042 ( 1.297 8.087 -9.031) 12.192 12.042 ( 1.297 8.087 9.031) 12.192 12.327 ( -0.743 -9.390 -3.019) 9.891 12.327 ( -0.743 -9.390 3.019) 9.891 12.582 ( 1.223 -20.306 -3.319) 20.612 12.582 ( 1.223 -20.306 3.319) 20.612 12.754 ( 0.961 -7.680 -14.443) 16.386 12.754 ( 0.961 -7.680 14.443) 16.386 13.083 ( 6.892 -4.086 -13.416) 15.626 13.083 ( 6.892 -4.086 13.416) 15.626 13.847 ( -2.747 -2.369 -8.520) 9.260 13.847 ( -2.747 -2.369 8.520) 9.260 14.701 ( 8.852 2.993 -8.009) 12.307 14.701 ( 8.852 2.993 8.009) 12.307 15.534 ( -6.085 0.951 -10.757) 12.395 15.534 ( -6.085 0.951 10.757) 12.395 15.857 ( -0.078 15.737 -5.553) 16.688 15.857 ( -0.078 15.737 5.553) 16.688 16.092 ( -2.845 1.697 -8.092) 8.744 16.092 ( -2.845 1.697 8.092) 8.744 17.606 ( 0.816 -23.215 -4.816) 23.724 17.606 ( 0.816 -23.215 4.816) 23.724 17.676 ( -0.569 -21.006 -2.102) 21.118 17.676 ( -0.569 -21.006 2.102) 21.118 19.058 ( 3.512 -2.131 -25.881) 26.205 19.058 ( 3.512 -2.131 25.881) 26.205 20.395 ( -12.540 -12.603 -14.419) 22.890 20.395 ( -12.540 -12.603 14.419) 22.890 21.758 ( -3.104 25.317 -2.152) 25.597 21.758 ( -3.104 25.317 2.152) 25.597 21.853 ( -10.839 23.762 -5.239) 26.637 21.853 ( -10.839 23.762 5.239) 26.637 24.182 ( 9.295 -5.694 -10.051) 14.827 24.182 ( 9.295 -5.694 10.051) 14.827 25.186 ( 7.058 -20.549 -6.622) 22.714 25.186 ( 7.058 -20.549 6.622) 22.714 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 6.265 14.670 -4.166) 16.486 1.832 ( 6.265 14.670 4.166) 16.486 2.002 ( 8.361 11.889 -12.403) 19.107 2.002 ( 8.361 11.889 12.403) 19.107 2.352 ( -6.262 8.328 -6.784) 12.434 2.352 ( -6.262 8.328 6.784) 12.434 2.516 ( -11.313 8.970 -4.938) 15.258 2.516 ( -11.313 8.970 4.938) 15.258 2.968 ( -0.689 8.068 -0.336) 8.105 2.968 ( -0.689 8.068 0.336) 8.105 3.203 ( -0.284 5.063 -1.997) 5.450 3.203 ( -0.284 5.063 1.997) 5.450 3.472 ( 7.656 13.437 -8.811) 17.799 3.472 ( 7.656 13.437 8.811) 17.799 3.541 ( 2.111 9.757 -3.133) 10.463 3.541 ( 2.111 9.757 3.133) 10.463 3.694 ( 2.861 12.679 -8.892) 15.749 3.694 ( 2.861 12.679 8.892) 15.749 3.894 ( -4.970 11.240 -10.224) 15.986 3.894 ( -4.970 11.240 10.224) 15.986 4.407 ( -1.224 2.948 -3.287) 4.582 4.407 ( -1.224 2.948 3.287) 4.582 4.822 ( 0.166 -1.679 -3.023) 3.462 4.822 ( 0.166 -1.679 3.023) 3.462 5.848 ( 5.722 7.940 -2.384) 10.073 5.848 ( 5.722 7.940 2.384) 10.073 5.970 ( -3.516 15.906 -2.265) 16.446 5.970 ( -3.516 15.906 2.265) 16.446 6.169 ( 2.386 35.239 -1.154) 35.339 6.169 ( 2.386 35.239 1.154) 35.339 6.373 ( -4.156 8.239 -1.288) 9.318 6.373 ( -4.156 8.239 1.288) 9.318 7.193 ( 2.839 2.487 -1.338) 4.004 7.193 ( 2.839 2.487 1.338) 4.004 7.470 ( 2.066 -0.223 -0.682) 2.187 7.470 ( 2.066 -0.223 0.682) 2.187 7.743 ( 6.847 -2.118 -0.610) 7.193 7.743 ( 6.847 -2.118 0.610) 7.193 7.988 ( -3.736 2.442 -0.965) 4.566 7.988 ( -3.736 2.442 0.965) 4.566 8.240 ( -2.384 6.329 -1.528) 6.933 8.240 ( -2.384 6.329 1.528) 6.933 8.903 ( 2.469 -0.607 -1.658) 3.036 8.903 ( 2.469 -0.607 1.658) 3.036 9.083 ( 8.471 13.421 -2.656) 16.091 9.083 ( 8.471 13.421 2.656) 16.091 9.340 ( -7.635 3.173 -1.267) 8.365 9.340 ( -7.635 3.173 1.267) 8.365 9.535 ( -1.738 18.091 -5.408) 18.962 9.535 ( -1.738 18.091 5.408) 18.962 9.981 ( -1.319 14.982 -4.262) 15.632 9.981 ( -1.319 14.982 4.262) 15.632 10.351 ( -2.041 8.482 -2.287) 9.019 10.351 ( -2.041 8.482 2.287) 9.019 10.809 ( 2.108 -0.871 -3.026) 3.790 10.809 ( 2.108 -0.871 3.026) 3.790 10.995 ( -5.607 2.674 -0.698) 6.251 10.995 ( -5.607 2.674 0.698) 6.251 11.445 ( -3.131 1.450 -3.214) 4.715 11.445 ( -3.131 1.450 3.214) 4.715 12.069 ( 1.019 5.792 -4.509) 7.411 12.069 ( 1.019 5.792 4.509) 7.411 12.317 ( -0.303 -18.720 -2.975) 18.958 12.317 ( -0.303 -18.720 2.975) 18.958 12.592 ( 0.095 -23.846 -1.417) 23.888 12.592 ( 0.095 -23.846 1.417) 23.888 12.792 ( 1.770 -1.309 -2.996) 3.718 12.792 ( 1.770 -1.309 2.996) 3.718 13.196 ( 3.481 -3.154 -4.219) 6.314 13.196 ( 3.481 -3.154 4.219) 6.314 13.799 ( -1.542 -3.320 -3.426) 5.014 13.799 ( -1.542 -3.320 3.426) 5.014 14.900 ( 9.301 5.991 -7.501) 13.367 14.900 ( 9.301 5.991 7.501) 13.367 15.356 ( -9.381 1.522 -9.518) 13.450 15.356 ( -9.381 1.522 9.518) 13.450 15.888 ( 2.366 14.292 -3.403) 14.881 15.888 ( 2.366 14.292 3.403) 14.881 16.029 ( -2.930 2.581 -3.615) 5.321 16.029 ( -2.930 2.581 3.615) 5.321 17.625 ( 0.835 -26.468 -3.407) 26.699 17.625 ( 0.835 -26.468 3.407) 26.699 17.662 ( -0.680 -18.154 -2.395) 18.324 17.662 ( -0.680 -18.154 2.395) 18.324 19.135 ( 3.167 -2.092 -12.975) 13.519 19.135 ( 3.167 -2.092 12.975) 13.519 20.142 ( -9.301 -10.594 -10.632) 17.657 20.142 ( -9.301 -10.594 10.632) 17.657 21.671 ( -3.174 30.217 -3.132) 30.545 21.671 ( -3.174 30.217 3.132) 30.545 21.743 ( -1.915 26.128 -2.743) 26.342 21.743 ( -1.915 26.128 2.743) 26.342 24.313 ( 3.373 -8.659 -4.586) 10.362 24.313 ( 3.373 -8.659 4.586) 10.362 25.313 ( 4.191 -22.898 -2.076) 23.371 25.313 ( 4.191 -22.898 2.076) 23.371 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.000 21.238 -5.122) 21.847 1.970 ( 0.000 21.238 5.122) 21.847 2.151 ( 0.000 20.691 -7.420) 21.981 2.151 ( 0.000 20.691 7.420) 21.981 2.729 ( 0.000 8.534 -1.118) 8.607 2.729 ( 0.000 8.534 1.118) 8.607 3.163 ( 0.000 4.855 -0.343) 4.867 3.163 ( 0.000 4.855 0.343) 4.867 3.207 ( 0.000 7.285 -3.364) 8.025 3.207 ( 0.000 7.285 3.364) 8.025 3.259 ( 0.000 6.828 -7.006) 9.783 3.259 ( 0.000 6.828 7.006) 9.783 3.435 ( 0.000 2.213 -2.720) 3.507 3.435 ( 0.000 2.213 2.720) 3.507 3.650 ( 0.000 18.000 -4.004) 18.440 3.650 ( 0.000 18.000 4.004) 18.440 3.861 ( 0.000 17.775 -9.356) 20.087 3.861 ( 0.000 17.775 9.356) 20.087 4.112 ( 0.000 10.094 -10.279) 14.407 4.112 ( 0.000 10.094 10.279) 14.407 4.572 ( 0.000 5.947 -11.446) 12.899 4.572 ( 0.000 5.947 11.446) 12.899 4.827 ( 0.000 0.543 -9.090) 9.106 4.827 ( 0.000 0.543 9.090) 9.106 5.793 ( 0.000 3.357 -0.533) 3.399 5.793 ( 0.000 3.357 0.533) 3.399 6.039 ( 0.000 -2.796 -1.713) 3.279 6.039 ( 0.000 -2.796 1.713) 3.279 6.726 ( 0.000 19.414 -0.898) 19.435 6.726 ( 0.000 19.414 0.898) 19.435 6.833 ( 0.000 14.963 -0.899) 14.990 6.833 ( 0.000 14.963 0.899) 14.990 7.122 ( 0.000 10.482 -1.948) 10.661 7.122 ( 0.000 10.482 1.948) 10.661 7.519 ( 0.000 7.653 -6.651) 10.139 7.519 ( 0.000 7.653 6.651) 10.139 7.599 ( 0.000 9.460 -3.519) 10.093 7.599 ( 0.000 9.460 3.519) 10.093 8.293 ( 0.000 7.559 -1.759) 7.761 8.293 ( 0.000 7.559 1.759) 7.761 8.351 ( 0.000 7.150 -5.537) 9.043 8.351 ( 0.000 7.150 5.537) 9.043 8.918 ( 0.000 5.159 -3.152) 6.046 8.918 ( 0.000 5.159 3.152) 6.046 9.187 ( 0.000 16.938 -5.472) 17.800 9.187 ( 0.000 16.938 5.472) 17.800 9.661 ( 0.000 20.239 -0.747) 20.253 9.661 ( 0.000 20.239 0.747) 20.253 9.858 ( 0.000 5.281 -0.493) 5.304 9.858 ( 0.000 5.281 0.493) 5.304 10.279 ( 0.000 14.502 -10.690) 18.016 10.279 ( 0.000 14.502 10.690) 18.016 10.591 ( 0.000 4.620 -8.703) 9.854 10.591 ( 0.000 4.620 8.703) 9.854 10.743 ( 0.000 1.529 -9.082) 9.210 10.743 ( 0.000 1.529 9.082) 9.210 11.184 ( 0.000 -20.834 -6.619) 21.860 11.184 ( 0.000 -20.834 6.619) 21.860 11.296 ( 0.000 -10.575 -9.385) 14.139 11.296 ( 0.000 -10.575 9.385) 14.139 11.892 ( 0.000 -17.359 -3.419) 17.692 11.892 ( 0.000 -17.359 3.419) 17.692 12.319 ( 0.000 7.937 -1.687) 8.114 12.319 ( 0.000 7.937 1.687) 8.114 12.512 ( 0.000 1.125 -5.428) 5.544 12.512 ( 0.000 1.125 5.428) 5.544 12.618 ( 0.000 1.371 -27.656) 27.690 12.618 ( 0.000 1.371 27.656) 27.690 13.098 ( 0.000 10.787 -32.485) 34.229 13.098 ( 0.000 10.787 32.485) 34.229 13.828 ( 0.000 -3.087 -9.871) 10.342 13.828 ( 0.000 -3.087 9.871) 10.342 14.640 ( 0.000 2.323 -9.848) 10.118 14.640 ( 0.000 2.323 9.848) 10.118 15.538 ( 0.000 -4.880 -14.675) 15.465 15.538 ( 0.000 -4.880 14.675) 15.465 16.016 ( 0.000 -1.470 -0.951) 1.751 16.016 ( 0.000 -1.470 0.951) 1.751 16.090 ( 0.000 -6.098 -8.948) 10.828 16.090 ( 0.000 -6.098 8.948) 10.828 17.317 ( 0.000 -2.897 -6.989) 7.565 17.317 ( 0.000 -2.897 6.989) 7.565 17.431 ( 0.000 -6.028 -4.982) 7.820 17.431 ( 0.000 -6.028 4.982) 7.820 18.947 ( 0.000 -4.680 -31.849) 32.191 18.947 ( 0.000 -4.680 31.849) 32.191 20.183 ( 0.000 -20.794 -17.027) 26.876 20.183 ( 0.000 -20.794 17.027) 26.876 22.141 ( 0.000 6.913 -0.254) 6.918 22.141 ( 0.000 6.913 0.254) 6.918 22.323 ( 0.000 18.502 -1.095) 18.534 22.323 ( 0.000 18.502 1.095) 18.534 24.062 ( 0.000 1.973 -2.194) 2.951 24.062 ( 0.000 1.973 2.194) 2.951 24.715 ( 0.000 -19.981 -6.248) 20.935 24.715 ( 0.000 -19.981 6.248) 20.935 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 5.375 19.493 -5.114) 20.857 2.024 ( 5.375 19.493 5.114) 20.857 2.184 ( 3.143 18.682 -4.688) 19.516 2.184 ( 3.143 18.682 4.688) 19.516 2.684 ( -4.463 9.737 -0.596) 10.728 2.684 ( -4.463 9.737 0.596) 10.728 2.944 ( -14.007 7.074 -5.311) 16.566 2.944 ( -14.007 7.074 5.311) 16.566 3.187 ( -2.681 10.070 -3.691) 11.055 3.187 ( -2.681 10.070 3.691) 11.055 3.308 ( -0.401 3.893 -1.222) 4.100 3.308 ( -0.401 3.893 1.222) 4.100 3.486 ( 7.449 3.964 -3.505) 9.137 3.486 ( 7.449 3.964 3.505) 9.137 3.748 ( 5.143 16.368 -3.865) 17.587 3.748 ( 5.143 16.368 3.865) 17.587 3.895 ( 3.700 16.183 -9.400) 19.077 3.895 ( 3.700 16.183 9.400) 19.077 4.124 ( 1.225 10.167 -11.377) 15.307 4.124 ( 1.225 10.167 11.377) 15.307 4.561 ( -1.397 6.859 -10.731) 12.812 4.561 ( -1.397 6.859 10.731) 12.812 4.810 ( -1.343 0.199 -7.915) 8.030 4.810 ( -1.343 0.199 7.915) 8.030 5.821 ( 2.463 1.933 -0.395) 3.156 5.821 ( 2.463 1.933 0.395) 3.156 6.047 ( 0.724 -2.847 -1.283) 3.206 6.047 ( 0.724 -2.847 1.283) 3.206 6.720 ( -1.421 18.712 -0.230) 18.767 6.720 ( -1.421 18.712 0.230) 18.767 6.863 ( 2.866 21.747 -1.708) 22.002 6.863 ( 2.866 21.747 1.708) 22.002 7.149 ( 3.336 5.585 -1.883) 6.773 7.149 ( 3.336 5.585 1.883) 6.773 7.516 ( -0.936 7.901 -7.651) 11.039 7.516 ( -0.936 7.901 7.651) 11.039 7.642 ( 4.916 6.795 -5.268) 9.904 7.642 ( 4.916 6.795 5.268) 9.904 8.227 ( -6.397 7.093 -1.813) 9.722 8.227 ( -6.397 7.093 1.813) 9.722 8.399 ( 4.579 11.219 -5.109) 13.150 8.399 ( 4.579 11.219 5.109) 13.150 8.938 ( 0.998 5.105 -2.185) 5.642 8.938 ( 0.998 5.105 2.185) 5.642 9.222 ( 3.686 15.815 -2.663) 16.456 9.222 ( 3.686 15.815 2.663) 16.456 9.589 ( -5.988 12.435 -1.819) 13.921 9.589 ( -5.988 12.435 1.819) 13.921 9.890 ( 2.291 13.054 -6.224) 14.642 9.890 ( 2.291 13.054 6.224) 14.642 10.272 ( -0.126 15.067 -8.664) 17.380 10.272 ( -0.126 15.067 8.664) 17.380 10.521 ( -6.472 3.017 -6.420) 9.602 10.521 ( -6.472 3.017 6.420) 9.602 10.790 ( 4.204 1.347 -7.290) 8.522 10.790 ( 4.204 1.347 7.290) 8.522 11.147 ( -4.570 -9.097 -4.434) 11.104 11.147 ( -4.570 -9.097 4.434) 11.104 11.255 ( -2.662 -19.163 -8.096) 20.973 11.255 ( -2.662 -19.163 8.096) 20.973 11.888 ( -0.209 -17.167 -4.019) 17.632 11.888 ( -0.209 -17.167 4.019) 17.632 12.197 ( -9.138 0.281 -6.251) 11.075 12.197 ( -9.138 0.281 6.251) 11.075 12.528 ( -0.106 11.818 -3.603) 12.355 12.528 ( -0.106 11.818 3.603) 12.355 12.670 ( 4.942 -3.233 -13.464) 14.702 12.670 ( 4.942 -3.233 13.464) 14.702 13.168 ( 5.736 9.144 -22.895) 25.312 13.168 ( 5.736 9.144 22.895) 25.312 13.786 ( -3.493 -3.253 -8.579) 9.817 13.786 ( -3.493 -3.253 8.579) 9.817 14.751 ( 10.245 2.570 -10.507) 14.899 14.751 ( 10.245 2.570 10.507) 14.899 15.492 ( -4.997 -4.159 -14.754) 16.122 15.492 ( -4.997 -4.159 14.754) 16.122 16.002 ( -1.006 -1.347 -2.293) 2.844 16.002 ( -1.006 -1.347 2.293) 2.844 16.076 ( -1.368 -5.774 -7.890) 9.872 16.076 ( -1.368 -5.774 7.890) 9.872 17.313 ( -0.412 -3.330 -5.241) 6.223 17.313 ( -0.412 -3.330 5.241) 6.223 17.432 ( 0.123 -5.908 -3.744) 6.995 17.432 ( 0.123 -5.908 3.744) 6.995 18.980 ( 3.119 -5.038 -28.741) 29.345 18.980 ( 3.119 -5.038 28.741) 29.345 20.066 ( -10.389 -19.098 -18.693) 28.673 20.066 ( -10.389 -19.098 18.693) 28.673 22.126 ( -0.899 10.226 -3.704) 10.913 22.126 ( -0.899 10.226 3.704) 10.913 22.284 ( -3.448 19.688 -1.703) 20.060 22.284 ( -3.448 19.688 1.703) 20.060 24.107 ( 3.495 -1.916 -5.447) 6.749 24.107 ( 3.495 -1.916 5.447) 6.749 24.772 ( 5.074 -20.450 -5.173) 21.695 24.772 ( 5.074 -20.450 5.173) 21.695 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 4.164 15.760 -3.468) 16.666 2.140 ( 4.164 15.760 3.468) 16.666 2.277 ( 6.738 15.006 -8.439) 18.488 2.277 ( 6.738 15.006 8.439) 18.488 2.551 ( -9.073 11.026 -7.024) 15.913 2.551 ( -9.073 11.026 7.024) 15.913 2.715 ( -6.377 11.685 -1.655) 13.414 2.715 ( -6.377 11.685 1.655) 13.414 3.158 ( -0.481 10.647 -0.951) 10.700 3.158 ( -0.481 10.647 0.951) 10.700 3.289 ( -0.724 3.806 -1.066) 4.018 3.289 ( -0.724 3.806 1.066) 4.018 3.644 ( 7.444 5.891 -2.774) 9.890 3.644 ( 7.444 5.891 2.774) 9.890 3.757 ( -3.519 10.336 -0.962) 10.961 3.757 ( -3.519 10.336 0.962) 10.961 4.000 ( 5.025 15.962 -8.252) 18.658 4.000 ( 5.025 15.962 8.252) 18.658 4.144 ( 0.206 13.097 -8.809) 15.785 4.144 ( 0.206 13.097 8.809) 15.785 4.520 ( -2.004 8.287 -5.010) 9.889 4.520 ( -2.004 8.287 5.010) 9.889 4.792 ( -0.353 -0.916 -3.161) 3.310 4.792 ( -0.353 -0.916 3.161) 3.310 5.868 ( 1.711 -0.742 -0.330) 1.894 5.868 ( 1.711 -0.742 0.330) 1.894 6.059 ( 0.356 -2.794 -0.352) 2.839 6.059 ( 0.356 -2.794 0.352) 2.839 6.679 ( -1.801 18.384 -0.179) 18.473 6.679 ( -1.801 18.384 0.179) 18.473 6.907 ( 1.093 30.237 -0.359) 30.259 6.907 ( 1.093 30.237 0.359) 30.259 7.250 ( 5.203 2.635 -1.059) 5.928 7.250 ( 5.203 2.635 1.059) 5.928 7.479 ( -2.286 3.239 -3.864) 5.536 7.479 ( -2.286 3.239 3.864) 5.536 7.777 ( 7.502 5.490 -3.469) 9.922 7.777 ( 7.502 5.490 3.469) 9.922 8.068 ( -8.257 5.384 -2.007) 10.059 8.068 ( -8.257 5.384 2.007) 10.059 8.499 ( 4.191 18.955 -2.763) 19.609 8.499 ( 4.191 18.955 2.763) 19.609 8.930 ( -1.306 4.712 -0.628) 4.930 8.930 ( -1.306 4.712 0.628) 4.930 9.314 ( 4.227 10.065 -1.602) 11.033 9.314 ( 4.227 10.065 1.602) 11.033 9.477 ( -4.219 10.783 -1.214) 11.643 9.477 ( -4.219 10.783 1.214) 11.643 9.930 ( 1.624 20.422 -3.870) 20.849 9.930 ( 1.624 20.422 3.870) 20.849 10.255 ( -2.445 6.592 -6.273) 9.423 10.255 ( -2.445 6.592 6.273) 9.423 10.419 ( -1.798 9.203 -1.999) 9.588 10.419 ( -1.798 9.203 1.999) 9.588 10.871 ( 3.106 -1.120 -4.203) 5.345 10.871 ( 3.106 -1.120 4.203) 5.345 11.030 ( -5.073 -0.058 -1.297) 5.236 11.030 ( -5.073 -0.058 1.297) 5.236 11.221 ( -0.963 -22.933 -3.722) 23.253 11.221 ( -0.963 -22.933 3.722) 23.253 11.898 ( 1.238 -15.282 -3.899) 15.820 11.898 ( 1.238 -15.282 3.899) 15.820 12.039 ( -5.665 -6.192 -4.751) 9.643 12.039 ( -5.665 -6.192 4.751) 9.643 12.519 ( -0.376 12.035 -1.356) 12.117 12.519 ( -0.376 12.035 1.356) 12.117 12.758 ( 2.879 -2.108 -3.905) 5.290 12.758 ( 2.879 -2.108 3.905) 5.290 13.264 ( 3.034 7.539 -7.886) 11.324 13.264 ( 3.034 7.539 7.886) 11.324 13.725 ( -2.002 -3.585 -3.679) 5.513 13.725 ( -2.002 -3.585 3.679) 5.513 14.980 ( 10.853 2.791 -9.734) 14.843 14.980 ( 10.853 2.791 9.734) 14.843 15.345 ( -8.594 -1.987 -11.587) 14.562 15.345 ( -8.594 -1.987 11.587) 14.562 15.997 ( 0.584 -3.137 -3.266) 4.566 15.997 ( 0.584 -3.137 3.266) 4.566 16.043 ( -1.605 -4.027 -5.033) 6.642 16.043 ( -1.605 -4.027 5.033) 6.642 17.305 ( -0.246 -3.973 -1.777) 4.359 17.305 ( -0.246 -3.973 1.777) 4.359 17.434 ( 0.072 -5.777 -1.286) 5.919 17.434 ( 0.072 -5.777 1.286) 5.919 19.047 ( 2.700 -5.854 -14.049) 15.458 19.047 ( 2.700 -5.854 14.049) 15.458 19.869 ( -6.978 -15.887 -11.147) 20.624 19.869 ( -6.978 -15.887 11.147) 20.624 22.126 ( 0.915 15.445 -3.806) 15.933 22.126 ( 0.915 15.445 3.806) 15.933 22.213 ( -3.027 19.588 -2.764) 20.012 22.213 ( -3.027 19.588 2.764) 20.012 24.161 ( 1.562 -6.162 -2.789) 6.942 24.161 ( 1.562 -6.162 2.789) 6.942 24.864 ( 3.061 -21.512 -1.871) 21.809 24.864 ( 3.061 -21.512 1.871) 21.809 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.000 20.486 -2.651) 20.657 2.389 ( 0.000 20.486 2.651) 20.657 2.508 ( 0.000 14.434 -4.014) 14.981 2.508 ( 0.000 14.434 4.014) 14.981 2.906 ( 0.000 9.479 -1.703) 9.631 2.906 ( 0.000 9.479 1.703) 9.631 3.243 ( 0.000 2.973 -1.217) 3.212 3.243 ( 0.000 2.973 1.217) 3.212 3.275 ( 0.000 0.434 -7.836) 7.848 3.275 ( 0.000 0.434 7.836) 7.848 3.401 ( 0.000 7.372 -1.178) 7.465 3.401 ( 0.000 7.372 1.178) 7.465 3.516 ( 0.000 5.532 -0.526) 5.557 3.516 ( 0.000 5.532 0.526) 5.557 3.934 ( 0.000 11.304 -5.639) 12.632 3.934 ( 0.000 11.304 5.639) 12.632 4.152 ( 0.000 7.723 -1.273) 7.828 4.152 ( 0.000 7.723 1.273) 7.828 4.337 ( 0.000 14.459 -16.751) 22.128 4.337 ( 0.000 14.459 16.751) 22.128 4.718 ( 0.000 8.708 -6.431) 10.825 4.718 ( 0.000 8.708 6.431) 10.825 4.866 ( 0.000 3.466 -6.194) 7.097 4.866 ( 0.000 3.466 6.194) 7.097 5.853 ( 0.000 3.153 -2.515) 4.033 5.853 ( 0.000 3.153 2.515) 4.033 5.976 ( 0.000 -2.768 -1.957) 3.390 5.976 ( 0.000 -2.768 1.957) 3.390 6.916 ( 0.000 4.576 -3.186) 5.576 6.916 ( 0.000 4.576 3.186) 5.576 7.020 ( 0.000 6.722 -0.260) 6.727 7.020 ( 0.000 6.722 0.260) 6.727 7.378 ( 0.000 10.533 -4.662) 11.519 7.378 ( 0.000 10.533 4.662) 11.519 7.696 ( 0.000 10.053 -4.276) 10.925 7.696 ( 0.000 10.053 4.276) 10.925 7.841 ( 0.000 13.242 -5.141) 14.205 7.841 ( 0.000 13.242 5.141) 14.205 8.449 ( 0.000 7.836 -7.657) 10.955 8.449 ( 0.000 7.836 7.657) 10.955 8.517 ( 0.000 8.763 -2.656) 9.157 8.517 ( 0.000 8.763 2.656) 9.157 9.079 ( 0.000 11.136 -1.506) 11.237 9.079 ( 0.000 11.136 1.506) 11.237 9.485 ( 0.000 10.258 -4.132) 11.059 9.485 ( 0.000 10.258 4.132) 11.059 9.923 ( 0.000 2.828 -3.229) 4.293 9.923 ( 0.000 2.828 3.229) 4.293 10.040 ( 0.000 10.644 -5.674) 12.062 10.040 ( 0.000 10.644 5.674) 12.062 10.455 ( 0.000 -11.431 -6.814) 13.308 10.455 ( 0.000 -11.431 6.814) 13.308 10.583 ( 0.000 -8.633 -3.861) 9.457 10.583 ( 0.000 -8.633 3.861) 9.457 10.715 ( 0.000 3.643 -0.142) 3.646 10.715 ( 0.000 3.643 0.142) 3.646 10.887 ( 0.000 12.796 -1.349) 12.867 10.887 ( 0.000 12.796 1.349) 12.867 11.193 ( 0.000 -1.444 -13.039) 13.119 11.193 ( 0.000 -1.444 13.039) 13.119 11.726 ( 0.000 0.689 -4.398) 4.451 11.726 ( 0.000 0.689 4.398) 4.451 12.357 ( 0.000 -11.344 -17.943) 21.229 12.357 ( 0.000 -11.344 17.943) 21.229 12.495 ( 0.000 8.185 -3.070) 8.742 12.495 ( 0.000 8.185 3.070) 8.742 12.832 ( 0.000 12.785 -8.030) 15.097 12.832 ( 0.000 12.785 8.030) 15.097 13.329 ( 0.000 11.890 -30.578) 32.809 13.329 ( 0.000 11.890 30.578) 32.809 13.766 ( 0.000 -3.255 -8.576) 9.173 13.766 ( 0.000 -3.255 8.576) 9.173 14.710 ( 0.000 5.184 -7.134) 8.818 14.710 ( 0.000 5.184 7.134) 8.818 15.434 ( 0.000 -4.834 -17.091) 17.762 15.434 ( 0.000 -4.834 17.091) 17.762 15.839 ( 0.000 -13.646 -9.693) 16.738 15.839 ( 0.000 -13.646 9.693) 16.738 15.920 ( 0.000 -10.158 -4.030) 10.928 15.920 ( 0.000 -10.158 4.030) 10.928 17.400 ( 0.000 6.385 -9.359) 11.329 17.400 ( 0.000 6.385 9.359) 11.329 17.416 ( 0.000 4.878 -8.893) 10.143 17.416 ( 0.000 4.878 8.893) 10.143 18.862 ( 0.000 -3.278 -28.161) 28.351 18.862 ( 0.000 -3.278 28.161) 28.351 19.765 ( 0.000 -20.607 -20.623) 29.154 19.765 ( 0.000 -20.607 20.623) 29.154 22.170 ( 0.000 -1.904 -2.350) 3.024 22.170 ( 0.000 -1.904 2.350) 3.024 22.605 ( 0.000 8.261 -0.738) 8.294 22.605 ( 0.000 8.261 0.738) 8.294 24.105 ( 0.000 1.668 -0.064) 1.670 24.105 ( 0.000 1.668 0.064) 1.670 24.357 ( 0.000 -15.297 -3.588) 15.712 24.357 ( 0.000 -15.297 3.588) 15.712 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 1.857 18.913 -4.566) 19.545 2.410 ( 1.857 18.913 4.566) 19.545 2.511 ( 0.538 13.440 -1.257) 13.509 2.511 ( 0.538 13.440 1.257) 13.509 2.868 ( -3.884 8.839 -2.143) 9.890 2.868 ( -3.884 8.839 2.143) 9.890 3.089 ( -8.413 7.518 -4.861) 12.285 3.089 ( -8.413 7.518 4.861) 12.285 3.348 ( 0.565 2.633 -1.572) 3.118 3.348 ( 0.565 2.633 1.572) 3.118 3.387 ( -0.713 7.251 -0.888) 7.340 3.387 ( -0.713 7.251 0.888) 7.340 3.568 ( 6.295 4.402 -3.188) 8.317 3.568 ( 6.295 4.402 3.188) 8.317 4.009 ( 2.714 10.430 -2.423) 11.047 4.009 ( 2.714 10.430 2.423) 11.047 4.129 ( 0.933 5.321 -3.509) 6.441 4.129 ( 0.933 5.321 3.509) 6.441 4.360 ( 1.645 13.816 -15.777) 21.036 4.360 ( 1.645 13.816 15.777) 21.036 4.714 ( -0.285 8.473 -8.789) 12.211 4.714 ( -0.285 8.473 8.789) 12.211 4.858 ( -0.972 5.043 -5.210) 7.316 4.858 ( -0.972 5.043 5.210) 7.316 5.852 ( -0.033 1.591 -2.070) 2.611 5.852 ( -0.033 1.591 2.070) 2.611 5.982 ( 0.532 -2.831 -1.257) 3.142 5.982 ( 0.532 -2.831 1.257) 3.142 6.940 ( 1.840 6.391 -1.603) 6.841 6.940 ( 1.840 6.391 1.603) 6.841 7.104 ( 7.902 6.643 -4.044) 11.087 7.104 ( 7.902 6.643 4.044) 11.087 7.316 ( -4.505 7.934 -7.675) 11.923 7.316 ( -4.505 7.934 7.675) 11.923 7.721 ( 1.115 11.066 -5.267) 12.306 7.721 ( 1.115 11.066 5.267) 12.306 7.857 ( 1.967 13.853 -7.875) 16.056 7.857 ( 1.967 13.853 7.875) 16.056 8.352 ( -6.857 5.940 -8.975) 12.762 8.352 ( -6.857 5.940 8.975) 12.762 8.653 ( 10.091 12.206 -5.027) 16.616 8.653 ( 10.091 12.206 5.027) 16.616 9.094 ( 0.843 10.387 -0.913) 10.461 9.094 ( 0.843 10.387 0.913) 10.461 9.492 ( 0.996 9.615 -2.521) 9.989 9.492 ( 0.996 9.615 2.521) 9.989 9.837 ( -6.923 10.099 -4.132) 12.922 9.837 ( -6.923 10.099 4.132) 12.922 10.060 ( 1.739 3.269 -0.751) 3.778 10.060 ( 1.739 3.269 0.751) 3.778 10.483 ( 1.986 -13.177 -4.384) 14.028 10.483 ( 1.986 -13.177 4.384) 14.028 10.558 ( -3.216 -8.106 -5.284) 10.197 10.558 ( -3.216 -8.106 5.284) 10.197 10.757 ( 3.776 8.778 -1.664) 9.699 10.757 ( 3.776 8.778 1.664) 9.699 10.795 ( -7.341 4.509 -0.862) 8.659 10.795 ( -7.341 4.509 0.862) 8.659 11.183 ( -1.538 4.272 -11.763) 12.609 11.183 ( -1.538 4.272 11.763) 12.609 11.720 ( 0.180 -0.746 -1.970) 2.115 11.720 ( 0.180 -0.746 1.970) 2.115 12.195 ( -11.147 -3.060 -11.394) 16.231 12.195 ( -11.147 -3.060 11.394) 16.231 12.623 ( 7.592 1.003 -3.455) 8.401 12.623 ( 7.592 1.003 3.455) 8.401 12.803 ( -2.301 12.079 -4.234) 13.005 12.803 ( -2.301 12.079 4.234) 13.005 13.375 ( 3.878 11.062 -23.584) 26.336 13.375 ( 3.878 11.062 23.584) 26.336 13.732 ( -2.911 -2.174 -8.638) 9.371 13.732 ( -2.911 -2.174 8.638) 9.371 14.816 ( 9.739 4.379 -8.616) 13.721 14.816 ( 9.739 4.379 8.616) 13.721 15.404 ( -3.280 -4.057 -16.416) 17.225 15.404 ( -3.280 -4.057 16.416) 17.225 15.837 ( -0.125 -13.292 -8.977) 16.040 15.837 ( -0.125 -13.292 8.977) 16.040 15.897 ( -2.103 -10.506 -4.736) 11.714 15.897 ( -2.103 -10.506 4.736) 11.714 17.393 ( -0.578 7.354 -6.601) 9.900 17.393 ( -0.578 7.354 6.601) 9.900 17.416 ( -0.064 3.798 -6.338) 7.389 17.416 ( -0.064 3.798 6.338) 7.389 18.887 ( 2.346 -3.708 -25.382) 25.759 18.887 ( 2.346 -3.708 25.382) 25.759 19.686 ( -7.063 -18.693 -20.156) 28.383 19.686 ( -7.063 -18.693 20.156) 28.383 22.206 ( 3.450 -0.544 -2.712) 4.422 22.206 ( 3.450 -0.544 2.712) 4.422 22.564 ( -3.912 7.734 -1.453) 8.788 22.564 ( -3.912 7.734 1.453) 8.788 24.090 ( -1.010 -0.578 -1.494) 1.894 24.090 ( -1.010 -0.578 1.494) 1.894 24.417 ( 4.909 -14.651 -2.579) 15.666 24.417 ( 4.909 -14.651 2.579) 15.666 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.570 14.336 -4.124) 14.928 2.438 ( 0.570 14.336 4.124) 14.928 2.550 ( 3.198 11.930 -4.517) 13.152 2.550 ( 3.198 11.930 4.517) 13.152 2.765 ( -5.350 10.635 -4.312) 12.662 2.765 ( -5.350 10.635 4.312) 12.662 2.968 ( -3.205 12.939 -1.536) 13.418 2.968 ( -3.205 12.939 1.536) 13.418 3.350 ( 0.457 4.884 -1.772) 5.216 3.350 ( 0.457 4.884 1.772) 5.216 3.371 ( -0.948 7.717 -0.699) 7.806 3.371 ( -0.948 7.717 0.699) 7.806 3.720 ( 7.606 2.285 -1.841) 8.153 3.720 ( 7.606 2.285 1.841) 8.153 3.934 ( -6.376 6.729 -0.085) 9.270 3.934 ( -6.376 6.729 0.085) 9.270 4.242 ( 5.988 8.185 -2.879) 10.542 4.242 ( 5.988 8.185 2.879) 10.542 4.373 ( -0.738 9.086 -10.415) 13.841 4.373 ( -0.738 9.086 10.415) 13.841 4.713 ( 0.145 10.721 -7.399) 13.027 4.713 ( 0.145 10.721 7.399) 13.027 4.832 ( -1.235 6.095 -3.488) 7.130 4.832 ( -1.235 6.095 3.488) 7.130 5.853 ( 0.091 -0.539 -0.842) 1.004 5.853 ( 0.091 -0.539 0.842) 1.004 5.991 ( 0.241 -3.219 -0.318) 3.243 5.991 ( 0.241 -3.219 0.318) 3.243 6.962 ( 0.335 11.035 -1.637) 11.161 6.962 ( 0.335 11.035 1.637) 11.161 7.215 ( -0.104 3.043 -3.779) 4.853 7.215 ( -0.104 3.043 3.779) 4.853 7.323 ( 6.774 6.220 -2.869) 9.633 7.323 ( 6.774 6.220 2.869) 9.633 7.687 ( -3.759 14.607 -3.249) 15.428 7.687 ( -3.759 14.607 3.249) 15.428 7.940 ( 5.545 10.435 -8.687) 14.666 7.940 ( 5.545 10.435 8.687) 14.666 8.200 ( -7.328 7.701 -7.762) 13.163 8.200 ( -7.328 7.701 7.762) 13.163 8.862 ( 9.633 14.753 -2.437) 17.787 8.862 ( 9.633 14.753 2.437) 17.787 9.072 ( -3.640 8.720 -2.401) 9.749 9.072 ( -3.640 8.720 2.401) 9.749 9.519 ( 0.941 10.463 -1.819) 10.662 9.519 ( 0.941 10.463 1.819) 10.662 9.725 ( -3.003 12.811 -3.779) 13.690 9.725 ( -3.003 12.811 3.779) 13.690 10.128 ( 5.365 -1.064 -5.708) 7.906 10.128 ( 5.365 -1.064 5.708) 7.906 10.394 ( -9.607 6.908 -7.056) 13.777 10.394 ( -9.607 6.908 7.056) 13.777 10.545 ( 1.715 -18.791 -0.612) 18.879 10.545 ( 1.715 -18.791 0.612) 18.879 10.665 ( -3.648 -19.333 -0.718) 19.687 10.665 ( -3.648 -19.333 0.718) 19.687 10.868 ( 5.225 20.384 -1.487) 21.095 10.868 ( 5.225 20.384 1.487) 21.095 11.122 ( -3.789 8.794 -5.461) 11.024 11.122 ( -3.789 8.794 5.461) 11.024 11.765 ( 4.210 -1.842 -3.168) 5.581 11.765 ( 4.210 -1.842 3.168) 5.581 11.985 ( -8.850 -1.221 -7.662) 11.770 11.985 ( -8.850 -1.221 7.662) 11.770 12.735 ( 3.268 1.743 -4.509) 5.835 12.735 ( 3.268 1.743 4.509) 5.835 12.766 ( -1.170 9.177 -4.269) 10.189 12.766 ( -1.170 9.177 4.269) 10.189 13.444 ( 2.383 9.981 -9.485) 13.973 13.444 ( 2.383 9.981 9.485) 13.973 13.679 ( -1.850 -0.815 -4.822) 5.228 13.679 ( -1.850 -0.815 4.822) 5.228 15.033 ( 10.403 3.068 -9.471) 14.399 15.033 ( 10.403 3.068 9.471) 14.399 15.299 ( -6.862 -2.096 -12.425) 14.348 15.299 ( -6.862 -2.096 12.425) 14.348 15.838 ( 0.317 -12.461 -8.181) 14.910 15.838 ( 0.317 -12.461 8.181) 14.910 15.856 ( -1.644 -11.658 -7.001) 13.698 15.856 ( -1.644 -11.658 7.001) 13.698 17.383 ( -0.327 8.275 -2.321) 8.601 17.383 ( -0.327 8.275 2.321) 8.601 17.414 ( -0.075 2.685 -2.264) 3.512 17.414 ( -0.075 2.685 2.264) 3.512 18.937 ( 1.976 -4.618 -12.312) 13.298 18.937 ( 1.976 -4.618 12.312) 13.298 19.552 ( -4.730 -15.534 -10.771) 19.486 19.552 ( -4.730 -15.534 10.771) 19.486 22.288 ( 3.997 1.981 -2.339) 5.037 22.288 ( 3.997 1.981 2.339) 5.037 22.473 ( -4.306 6.445 -1.859) 7.971 22.473 ( -4.306 6.445 1.859) 7.971 24.078 ( -0.236 -2.577 -0.755) 2.696 24.078 ( -0.236 -2.577 0.755) 2.696 24.499 ( 2.548 -15.023 -0.851) 15.261 24.499 ( 2.548 -15.023 0.851) 15.261 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 0.000 6.034 -0.964) 6.111 2.690 ( 0.000 6.034 0.964) 6.111 2.767 ( 0.000 16.031 -0.675) 16.045 2.767 ( 0.000 16.031 0.675) 16.045 3.087 ( 0.000 7.601 -2.071) 7.878 3.087 ( 0.000 7.601 2.071) 7.878 3.245 ( 0.000 -1.969 -5.164) 5.527 3.245 ( 0.000 -1.969 5.164) 5.527 3.307 ( 0.000 3.260 -2.700) 4.233 3.307 ( 0.000 3.260 2.700) 4.233 3.529 ( 0.000 5.365 -1.887) 5.687 3.529 ( 0.000 5.365 1.887) 5.687 3.623 ( 0.000 4.504 -1.222) 4.667 3.623 ( 0.000 4.504 1.222) 4.667 4.046 ( 0.000 -0.575 -5.210) 5.242 4.046 ( 0.000 -0.575 5.210) 5.242 4.279 ( 0.000 7.648 -2.396) 8.015 4.279 ( 0.000 7.648 2.396) 8.015 4.586 ( 0.000 9.410 -7.584) 12.086 4.586 ( 0.000 9.410 7.584) 12.086 4.906 ( 0.000 8.955 -7.601) 11.746 4.906 ( 0.000 8.955 7.601) 11.746 4.953 ( 0.000 5.482 -8.505) 10.118 4.953 ( 0.000 5.482 8.505) 10.118 5.919 ( 0.000 3.091 -6.216) 6.942 5.919 ( 0.000 3.091 6.216) 6.942 5.948 ( 0.000 0.321 -1.186) 1.228 5.948 ( 0.000 0.321 1.186) 1.228 7.016 ( 0.000 6.267 -4.811) 7.901 7.016 ( 0.000 6.267 4.811) 7.901 7.143 ( 0.000 6.100 -0.098) 6.101 7.143 ( 0.000 6.100 0.098) 6.101 7.522 ( 0.000 5.144 -10.578) 11.762 7.522 ( 0.000 5.144 10.578) 11.762 7.862 ( 0.000 6.006 -9.445) 11.192 7.862 ( 0.000 6.006 9.445) 11.192 8.087 ( 0.000 11.088 -16.167) 19.604 8.087 ( 0.000 11.088 16.167) 19.604 8.542 ( 0.000 1.232 -17.914) 17.957 8.542 ( 0.000 1.232 17.914) 17.957 8.734 ( 0.000 13.454 -7.635) 15.470 8.734 ( 0.000 13.454 7.635) 15.470 9.288 ( 0.000 7.354 -0.254) 7.358 9.288 ( 0.000 7.354 0.254) 7.358 9.556 ( 0.000 -0.158 -5.465) 5.467 9.556 ( 0.000 -0.158 5.465) 5.467 9.908 ( 0.000 -25.742 -3.607) 25.994 9.908 ( 0.000 -25.742 3.607) 25.994 9.925 ( 0.000 -1.957 -0.029) 1.957 9.925 ( 0.000 -1.957 0.029) 1.957 10.043 ( 0.000 -8.650 -8.924) 12.429 10.043 ( 0.000 -8.650 8.924) 12.429 10.704 ( 0.000 11.828 -0.998) 11.870 10.704 ( 0.000 11.828 0.998) 11.870 10.963 ( 0.000 8.009 -6.203) 10.130 10.963 ( 0.000 8.009 6.203) 10.130 11.092 ( 0.000 11.567 -8.004) 14.066 11.092 ( 0.000 11.567 8.004) 14.066 11.356 ( 0.000 12.992 -15.589) 20.293 11.356 ( 0.000 12.992 15.589) 20.293 11.887 ( 0.000 15.685 -7.108) 17.221 11.887 ( 0.000 15.685 7.108) 17.221 12.110 ( 0.000 -12.482 -14.337) 19.009 12.110 ( 0.000 -12.482 14.337) 19.009 12.642 ( 0.000 6.643 -6.043) 8.980 12.642 ( 0.000 6.643 6.043) 8.980 13.018 ( 0.000 5.697 -0.941) 5.774 13.018 ( 0.000 5.697 0.941) 5.774 13.535 ( 0.000 7.589 -19.918) 21.315 13.535 ( 0.000 7.589 19.918) 21.315 13.695 ( 0.000 -3.730 -5.980) 7.048 13.695 ( 0.000 -3.730 5.980) 7.048 14.852 ( 0.000 9.025 -3.341) 9.624 14.852 ( 0.000 9.025 3.341) 9.624 15.365 ( 0.000 -2.448 -17.954) 18.120 15.365 ( 0.000 -2.448 17.954) 18.120 15.582 ( 0.000 -10.859 -15.140) 18.631 15.582 ( 0.000 -10.859 15.140) 18.631 15.709 ( 0.000 -10.347 -1.143) 10.410 15.709 ( 0.000 -10.347 1.143) 10.410 17.490 ( 0.000 4.401 -0.762) 4.467 17.490 ( 0.000 4.401 0.762) 4.467 17.570 ( 0.000 7.141 -13.357) 15.146 17.570 ( 0.000 7.141 13.357) 15.146 18.834 ( 0.000 0.560 -19.222) 19.230 18.834 ( 0.000 0.560 19.222) 19.230 19.399 ( 0.000 -16.068 -19.263) 25.085 19.399 ( 0.000 -16.068 19.263) 25.085 22.109 ( 0.000 -3.546 -2.383) 4.273 22.109 ( 0.000 -3.546 2.383) 4.273 22.638 ( 0.000 -3.932 -2.124) 4.469 22.638 ( 0.000 -3.932 2.124) 4.469 24.079 ( 0.000 -5.594 -1.883) 5.903 24.079 ( 0.000 -5.594 1.883) 5.903 24.170 ( 0.000 -2.541 -0.207) 2.549 24.170 ( 0.000 -2.541 0.207) 2.549 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -0.038 6.578 -3.928) 7.661 2.690 ( -0.038 6.578 3.928) 7.661 2.763 ( -0.353 15.279 -1.736) 15.381 2.763 ( -0.353 15.279 1.736) 15.381 3.022 ( -4.502 6.195 -3.003) 8.226 3.022 ( -4.502 6.195 3.003) 8.226 3.232 ( -2.044 6.731 -3.735) 7.965 3.232 ( -2.044 6.731 3.735) 7.965 3.350 ( 3.485 -1.293 -0.777) 3.797 3.350 ( 3.485 -1.293 0.777) 3.797 3.521 ( -0.808 5.300 -1.922) 5.695 3.521 ( -0.808 5.300 1.922) 5.695 3.655 ( 3.636 4.017 -0.518) 5.443 3.655 ( 3.636 4.017 0.518) 5.443 4.063 ( -0.677 -3.602 -2.579) 4.481 4.063 ( -0.677 -3.602 2.579) 4.481 4.268 ( 1.282 8.987 -4.349) 10.066 4.268 ( 1.282 8.987 4.349) 10.066 4.578 ( -1.496 7.820 -9.137) 12.119 4.578 ( -1.496 7.820 9.137) 12.119 4.900 ( 0.389 9.565 -10.330) 14.083 4.900 ( 0.389 9.565 10.330) 14.083 4.983 ( 1.783 6.790 -4.370) 8.269 4.983 ( 1.783 6.790 4.370) 8.269 5.890 ( -2.166 2.205 -3.698) 4.819 5.890 ( -2.166 2.205 3.698) 4.819 5.951 ( -0.062 -0.237 -1.813) 1.830 5.951 ( -0.062 -0.237 1.813) 1.830 7.048 ( 3.359 5.313 -2.685) 6.835 7.048 ( 3.359 5.313 2.685) 6.835 7.237 ( 7.691 7.533 -4.735) 11.761 7.237 ( 7.691 7.533 4.735) 11.761 7.433 ( -5.971 4.487 -10.865) 13.185 7.433 ( -5.971 4.487 10.865) 13.185 7.906 ( 2.540 7.245 -9.338) 12.089 7.906 ( 2.540 7.245 9.338) 12.089 8.113 ( 1.951 10.938 -13.539) 17.514 8.113 ( 1.951 10.938 13.539) 17.514 8.452 ( -6.266 3.685 -17.610) 19.051 8.452 ( -6.266 3.685 17.610) 19.051 8.864 ( 9.725 9.943 -6.626) 15.405 8.864 ( 9.725 9.943 6.626) 15.405 9.285 ( -0.872 6.661 -3.389) 7.524 9.285 ( -0.872 6.661 3.389) 7.524 9.576 ( 2.813 -0.010 -3.966) 4.862 9.576 ( 2.813 -0.010 3.966) 4.862 9.847 ( -3.174 -10.780 -4.953) 12.280 9.847 ( -3.174 -10.780 4.953) 12.280 9.978 ( 2.638 -16.024 -4.874) 16.956 9.978 ( 2.638 -16.024 4.874) 16.956 10.081 ( 4.159 -5.714 -4.081) 8.161 10.081 ( 4.159 -5.714 4.081) 8.161 10.549 ( -12.778 8.549 -2.372) 15.556 10.549 ( -12.778 8.549 2.372) 15.556 10.880 ( -10.590 1.217 -5.675) 12.076 10.880 ( -10.590 1.217 5.675) 12.076 11.169 ( 7.634 20.986 -5.967) 23.114 11.169 ( 7.634 20.986 5.967) 23.114 11.398 ( 4.043 12.337 -14.796) 19.684 11.398 ( 4.043 12.337 14.796) 19.684 11.806 ( -6.373 8.635 -9.243) 14.164 11.806 ( -6.373 8.635 9.243) 14.164 12.083 ( -3.937 -4.694 -12.336) 13.774 12.083 ( -3.937 -4.694 12.336) 13.774 12.691 ( 4.606 4.939 -2.719) 7.280 12.691 ( 4.606 4.939 2.719) 7.280 12.974 ( -3.661 5.412 -1.005) 6.611 12.974 ( -3.661 5.412 1.005) 6.611 13.569 ( 2.752 7.290 -16.900) 18.610 13.569 ( 2.752 7.290 16.900) 18.610 13.691 ( -0.359 -2.225 -6.511) 6.890 13.691 ( -0.359 -2.225 6.511) 6.890 14.935 ( 7.724 7.550 -2.361) 11.056 14.935 ( 7.724 7.550 2.361) 11.056 15.350 ( -1.767 -1.632 -16.311) 16.487 15.350 ( -1.767 -1.632 16.311) 16.487 15.583 ( 0.115 -10.942 -13.744) 17.568 15.583 ( 0.115 -10.942 13.744) 17.568 15.680 ( -2.716 -10.613 -1.143) 11.015 15.680 ( -2.716 -10.613 1.143) 11.015 17.490 ( 0.025 4.455 -1.245) 4.626 17.490 ( 0.025 4.455 1.245) 4.626 17.561 ( -0.833 6.980 -11.317) 13.322 17.561 ( -0.833 6.980 11.317) 13.322 18.851 ( 1.512 0.134 -17.373) 17.439 18.851 ( 1.512 0.134 17.373) 17.439 19.355 ( -3.912 -14.429 -17.755) 23.211 19.355 ( -3.912 -14.429 17.755) 23.211 22.155 ( 4.357 -3.671 -2.525) 6.232 22.155 ( 4.357 -3.671 2.525) 6.232 22.590 ( -4.597 -4.023 -2.280) 6.520 22.590 ( -4.597 -4.023 2.280) 6.520 24.059 ( -1.168 -2.779 -1.346) 3.302 24.059 ( -1.168 -2.779 1.346) 3.302 24.217 ( 3.490 -5.892 -0.582) 6.873 24.217 ( 3.490 -5.892 0.582) 6.873 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -0.010 10.332 -3.168) 10.807 2.689 ( -0.010 10.332 3.168) 10.807 2.756 ( -0.301 9.828 -1.932) 10.021 2.756 ( -0.301 9.828 1.932) 10.021 2.957 ( -1.733 8.499 -1.627) 8.826 2.957 ( -1.733 8.499 1.627) 8.826 3.188 ( -1.623 8.858 -1.694) 9.163 3.188 ( -1.623 8.858 1.694) 9.163 3.404 ( 1.577 1.581 -1.016) 2.454 3.404 ( 1.577 1.581 1.016) 2.454 3.505 ( -0.606 3.995 -1.307) 4.247 3.505 ( -0.606 3.995 1.307) 4.247 3.756 ( 5.533 1.814 -0.421) 5.838 3.756 ( 5.533 1.814 0.421) 5.838 3.978 ( -5.802 -2.279 -1.144) 6.338 3.978 ( -5.802 -2.279 1.144) 6.338 4.371 ( 7.449 6.118 -1.253) 9.720 4.371 ( 7.449 6.118 1.253) 9.720 4.508 ( -5.594 5.533 -6.170) 9.999 4.508 ( -5.594 5.533 6.170) 9.999 4.928 ( 1.871 10.438 -6.414) 12.393 4.928 ( 1.871 10.438 6.414) 12.393 4.996 ( -0.430 8.749 -0.958) 8.812 4.996 ( -0.430 8.749 0.958) 8.812 5.856 ( -0.984 0.981 -1.101) 1.773 5.856 ( -0.984 0.981 1.101) 1.773 5.947 ( -0.233 -1.225 -0.661) 1.411 5.947 ( -0.233 -1.225 0.661) 1.411 7.130 ( 4.239 5.868 -3.901) 8.223 7.130 ( 4.239 5.868 3.901) 8.223 7.256 ( -4.555 2.971 -6.555) 8.518 7.256 ( -4.555 2.971 6.555) 8.518 7.471 ( 6.888 8.947 -2.157) 11.496 7.471 ( 6.888 8.947 2.157) 11.496 7.914 ( -1.674 8.019 -3.619) 8.956 7.914 ( -1.674 8.019 3.619) 8.956 8.153 ( 2.286 10.029 -11.542) 15.460 8.153 ( 2.286 10.029 11.542) 15.460 8.336 ( -4.736 5.167 -13.096) 14.853 8.336 ( -4.736 5.167 13.096) 14.853 9.057 ( 9.455 6.295 -4.204) 12.112 9.057 ( 9.455 6.295 4.204) 12.112 9.219 ( -6.202 4.831 -5.997) 9.888 9.219 ( -6.202 4.831 5.997) 9.888 9.664 ( 3.506 0.798 -1.331) 3.834 9.664 ( 3.506 0.798 1.331) 3.834 9.830 ( 2.127 -6.512 -7.010) 9.802 9.830 ( 2.127 -6.512 7.010) 9.802 10.041 ( 5.771 -11.729 -7.166) 14.907 10.041 ( 5.771 -11.729 7.166) 14.907 10.196 ( 4.984 0.110 -2.806) 5.721 10.196 ( 4.984 0.110 2.806) 5.721 10.271 ( -13.295 -2.237 -3.500) 13.929 10.271 ( -13.295 -2.237 3.500) 13.929 10.632 ( -11.050 0.690 -4.480) 11.943 10.632 ( -11.050 0.690 4.480) 11.943 11.329 ( 7.662 20.109 -2.861) 21.708 11.329 ( 7.662 20.109 2.861) 21.708 11.453 ( -1.034 21.426 -9.116) 23.307 11.453 ( -1.034 21.426 9.116) 23.307 11.718 ( -0.781 -3.219 -5.189) 6.156 11.718 ( -0.781 -3.219 5.189) 6.156 11.968 ( -5.803 1.278 -6.977) 9.165 11.968 ( -5.803 1.278 6.977) 9.165 12.791 ( 4.733 4.300 -0.838) 6.449 12.791 ( 4.733 4.300 0.838) 6.449 12.899 ( -3.705 4.357 -1.909) 6.029 12.899 ( -3.705 4.357 1.909) 6.029 13.617 ( 1.635 6.264 -8.826) 10.946 13.617 ( 1.635 6.264 8.826) 10.946 13.682 ( -0.456 0.326 -5.288) 5.318 13.682 ( -0.456 0.326 5.288) 5.318 15.114 ( 9.237 5.062 -4.565) 11.480 15.114 ( 9.237 5.062 4.565) 11.480 15.282 ( -5.436 0.564 -10.835) 12.136 15.282 ( -5.436 0.564 10.835) 12.136 15.589 ( 0.599 -11.138 -10.019) 14.993 15.589 ( 0.599 -11.138 10.019) 14.993 15.623 ( -2.460 -11.436 -4.453) 12.516 15.623 ( -2.460 -11.436 4.453) 12.516 17.491 ( 0.079 4.532 -1.079) 4.660 17.491 ( 0.079 4.532 1.079) 4.660 17.545 ( -0.587 6.735 -4.895) 8.346 17.545 ( -0.587 6.735 4.895) 8.346 18.882 ( 1.234 -0.754 -8.414) 8.538 18.882 ( 1.234 -0.754 8.414) 8.538 19.280 ( -2.658 -11.670 -8.757) 14.830 19.280 ( -2.658 -11.670 8.757) 14.830 22.258 ( 4.962 -3.702 -2.015) 6.511 22.258 ( 4.962 -3.702 2.015) 6.511 22.483 ( -5.111 -4.277 -1.911) 6.933 22.483 ( -5.111 -4.277 1.911) 6.933 24.045 ( -0.292 -1.061 -0.480) 1.200 24.045 ( -0.292 -1.061 0.480) 1.200 24.272 ( 1.685 -8.467 -0.248) 8.636 24.272 ( 1.685 -8.467 0.248) 8.636 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 0.000 1.359 -0.684) 1.522 2.753 ( 0.000 1.359 0.684) 1.522 3.031 ( 0.000 9.964 -2.200) 10.204 3.031 ( 0.000 9.964 2.200) 10.204 3.162 ( 0.000 0.216 -0.845) 0.872 3.162 ( 0.000 0.216 0.845) 0.872 3.214 ( 0.000 -0.711 -0.208) 0.740 3.214 ( 0.000 -0.711 0.208) 0.740 3.405 ( 0.000 6.570 -1.268) 6.691 3.405 ( 0.000 6.570 1.268) 6.691 3.599 ( 0.000 1.072 -1.085) 1.525 3.599 ( 0.000 1.072 1.085) 1.525 3.677 ( 0.000 1.097 -0.216) 1.118 3.677 ( 0.000 1.097 0.216) 1.118 3.985 ( 0.000 -3.759 -2.805) 4.690 3.985 ( 0.000 -3.759 2.805) 4.690 4.420 ( 0.000 5.597 -2.761) 6.241 4.420 ( 0.000 5.597 2.761) 6.241 4.719 ( 0.000 4.458 -2.721) 5.222 4.719 ( 0.000 4.458 2.721) 5.222 5.003 ( 0.000 2.581 -2.230) 3.411 5.003 ( 0.000 2.581 2.230) 3.411 5.092 ( 0.000 5.941 -0.060) 5.941 5.092 ( 0.000 5.941 0.060) 5.941 5.960 ( 0.000 1.892 -1.743) 2.573 5.960 ( 0.000 1.892 1.743) 2.573 5.984 ( 0.000 1.769 -1.288) 2.189 5.984 ( 0.000 1.769 1.288) 2.189 7.143 ( 0.000 5.425 -4.136) 6.822 7.143 ( 0.000 5.425 4.136) 6.822 7.266 ( 0.000 6.130 -0.852) 6.189 7.266 ( 0.000 6.130 0.852) 6.189 7.602 ( 0.000 3.043 -9.362) 9.845 7.602 ( 0.000 3.043 9.362) 9.845 7.929 ( 0.000 1.157 -7.355) 7.446 7.929 ( 0.000 1.157 7.355) 7.446 8.256 ( 0.000 5.636 -17.023) 17.932 8.256 ( 0.000 5.636 17.023) 17.932 8.525 ( 0.000 -1.950 -13.666) 13.805 8.525 ( 0.000 -1.950 13.666) 13.805 9.010 ( 0.000 13.355 -8.992) 16.100 9.010 ( 0.000 13.355 8.992) 16.100 9.296 ( 0.000 -3.679 -2.202) 4.288 9.296 ( 0.000 -3.679 2.202) 4.288 9.468 ( 0.000 -16.100 -9.962) 18.933 9.468 ( 0.000 -16.100 9.962) 18.933 9.634 ( 0.000 5.687 -12.040) 13.315 9.634 ( 0.000 5.687 12.040) 13.315 9.865 ( 0.000 -6.829 -8.401) 10.827 9.865 ( 0.000 -6.829 8.401) 10.827 9.894 ( 0.000 -3.322 -1.275) 3.559 9.894 ( 0.000 -3.322 1.275) 3.559 10.934 ( 0.000 9.706 -2.630) 10.056 10.934 ( 0.000 9.706 2.630) 10.056 11.014 ( 0.000 1.983 -3.020) 3.613 11.014 ( 0.000 1.983 3.020) 3.613 11.271 ( 0.000 1.704 -13.303) 13.411 11.271 ( 0.000 1.704 13.303) 13.411 11.595 ( 0.000 11.981 -2.587) 12.257 11.595 ( 0.000 11.981 2.587) 12.257 11.856 ( 0.000 -9.938 -7.999) 12.757 11.856 ( 0.000 -9.938 7.999) 12.757 12.285 ( 0.000 17.460 -3.108) 17.735 12.285 ( 0.000 17.460 3.108) 17.735 12.748 ( 0.000 3.989 -4.989) 6.387 12.748 ( 0.000 3.989 4.989) 6.387 13.082 ( 0.000 1.650 -1.380) 2.151 13.082 ( 0.000 1.650 1.380) 2.151 13.549 ( 0.000 -4.120 -1.257) 4.307 13.549 ( 0.000 -4.120 1.257) 4.307 13.681 ( 0.000 1.304 -9.723) 9.810 13.681 ( 0.000 1.304 9.723) 9.810 15.027 ( 0.000 7.047 -16.054) 17.532 15.027 ( 0.000 7.047 16.054) 17.532 15.288 ( 0.000 -4.922 -21.877) 22.424 15.288 ( 0.000 -4.922 21.877) 22.424 15.464 ( 0.000 -2.380 -18.033) 18.190 15.464 ( 0.000 -2.380 18.033) 18.190 15.554 ( 0.000 -3.988 -8.764) 9.629 15.554 ( 0.000 -3.988 8.764) 9.629 17.559 ( 0.000 2.395 -1.405) 2.777 17.559 ( 0.000 2.395 1.405) 2.777 17.675 ( 0.000 3.499 -8.690) 9.368 17.675 ( 0.000 3.499 8.690) 9.368 18.873 ( 0.000 2.650 -8.803) 9.193 18.873 ( 0.000 2.650 8.803) 9.193 19.149 ( 0.000 -8.981 -12.192) 15.142 19.149 ( 0.000 -8.981 12.192) 15.142 22.051 ( 0.000 -2.091 -1.431) 2.534 22.051 ( 0.000 -2.091 1.431) 2.534 22.516 ( 0.000 -6.581 -1.844) 6.834 22.516 ( 0.000 -6.581 1.844) 6.834 23.983 ( 0.000 -3.278 -0.820) 3.379 23.983 ( 0.000 -3.278 0.820) 3.379 24.148 ( 0.000 -0.747 -0.394) 0.845 24.148 ( 0.000 -0.747 0.394) 0.845 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 2.093 2.571 -2.845) 4.368 2.773 ( 2.093 2.571 2.845) 4.368 3.016 ( -2.596 9.186 -2.389) 9.841 3.016 ( -2.596 9.186 2.389) 9.841 3.107 ( -1.753 3.182 -1.621) 3.978 3.107 ( -1.753 3.182 1.621) 3.978 3.283 ( 3.989 -2.418 -2.939) 5.514 3.283 ( 3.989 -2.418 2.939) 5.514 3.385 ( -1.446 6.087 -0.820) 6.310 3.385 ( -1.446 6.087 0.820) 6.310 3.580 ( -2.000 0.183 -1.507) 2.511 3.580 ( -2.000 0.183 1.507) 2.511 3.709 ( 3.094 1.390 -0.735) 3.470 3.709 ( 3.094 1.390 0.735) 3.470 3.974 ( -1.702 -4.106 -2.308) 5.008 3.974 ( -1.702 -4.106 2.308) 5.008 4.417 ( 0.753 5.531 -2.764) 6.229 4.417 ( 0.753 5.531 2.764) 6.229 4.691 ( -3.035 3.947 -4.482) 6.699 4.691 ( -3.035 3.947 4.482) 6.699 5.037 ( 2.939 4.122 -7.355) 8.930 5.037 ( 2.939 4.122 7.355) 8.930 5.111 ( 1.703 5.463 -3.068) 6.493 5.111 ( 1.703 5.463 3.068) 6.493 5.933 ( -2.498 1.990 -2.509) 4.062 5.933 ( -2.498 1.990 2.509) 4.062 5.963 ( -1.574 0.991 -2.889) 3.436 5.963 ( -1.574 0.991 2.889) 3.436 7.142 ( 1.426 3.753 -1.636) 4.335 7.142 ( 1.426 3.753 1.636) 4.335 7.400 ( 8.979 8.177 -3.956) 12.773 7.400 ( 8.979 8.177 3.956) 12.773 7.500 ( -5.304 2.271 -8.922) 10.625 7.500 ( -5.304 2.271 8.922) 10.625 7.995 ( 3.638 1.883 -8.605) 9.530 7.995 ( 3.638 1.883 8.605) 9.530 8.268 ( 1.084 4.617 -16.641) 17.303 8.268 ( 1.084 4.617 16.641) 17.303 8.487 ( -3.746 0.365 -14.249) 14.738 8.487 ( -3.746 0.365 14.249) 14.738 9.064 ( 4.439 10.003 -7.784) 13.430 9.064 ( 4.439 10.003 7.784) 13.430 9.297 ( 0.120 -3.043 -2.668) 4.049 9.297 ( 0.120 -3.043 2.668) 4.049 9.488 ( 1.676 -15.439 -8.091) 17.511 9.488 ( 1.676 -15.439 8.091) 17.511 9.595 ( -2.090 1.049 -10.271) 10.534 9.595 ( -2.090 1.049 10.271) 10.534 9.887 ( 2.912 -2.850 -6.194) 7.414 9.887 ( 2.912 -2.850 6.194) 7.414 9.983 ( 8.074 -1.657 -2.122) 8.511 9.983 ( 8.074 -1.657 2.122) 8.511 10.760 ( -14.532 9.702 -4.394) 18.017 10.760 ( -14.532 9.702 4.394) 18.017 10.888 ( -12.195 0.409 -5.315) 13.309 10.888 ( -12.195 0.409 5.315) 13.309 11.359 ( 6.266 -0.030 -11.902) 13.451 11.359 ( 6.266 -0.030 11.902) 13.451 11.658 ( 5.475 12.495 -7.871) 15.749 11.658 ( 5.475 12.495 7.871) 15.749 11.804 ( -4.068 -5.457 -6.265) 9.251 11.804 ( -4.068 -5.457 6.265) 9.251 12.242 ( -4.767 14.081 -5.067) 15.706 12.242 ( -4.767 14.081 5.067) 15.706 12.788 ( 3.993 4.588 -3.194) 6.870 12.788 ( 3.993 4.588 3.194) 6.870 13.049 ( -2.948 2.812 -1.521) 4.349 13.049 ( -2.948 2.812 1.521) 4.349 13.591 ( 3.409 -3.673 -4.108) 6.480 13.591 ( 3.409 -3.673 4.108) 6.480 13.685 ( 0.214 0.950 -9.676) 9.725 13.685 ( 0.214 0.950 9.676) 9.725 15.080 ( 5.044 5.542 -14.246) 16.097 15.080 ( 5.044 5.542 14.246) 16.097 15.293 ( 0.412 -3.959 -19.608) 20.008 15.293 ( 0.412 -3.959 19.608) 20.008 15.457 ( -0.707 -3.128 -16.592) 16.899 15.457 ( -0.707 -3.127 16.592) 16.899 15.524 ( -2.955 -3.406 -7.836) 9.041 15.524 ( -2.955 -3.406 7.836) 9.041 17.562 ( 0.326 2.614 -0.933) 2.795 17.562 ( 0.326 2.614 0.933) 2.795 17.660 ( -1.385 3.108 -7.298) 8.053 17.660 ( -1.385 3.109 7.298) 8.053 18.883 ( 1.002 2.637 -8.137) 8.612 18.883 ( 1.002 2.637 8.137) 8.612 19.130 ( -1.680 -8.213 -10.924) 13.770 19.130 ( -1.680 -8.213 10.924) 13.770 22.091 ( 3.877 -2.390 -1.568) 4.817 22.091 ( 3.877 -2.390 1.568) 4.817 22.470 ( -4.413 -6.385 -1.854) 7.980 22.470 ( -4.413 -6.385 1.854) 7.980 24.001 ( 1.657 -2.354 -1.236) 3.134 24.001 ( 1.657 -2.354 1.236) 3.134 24.148 ( -0.040 -1.964 -0.967) 2.190 24.148 ( -0.040 -1.964 0.967) 2.190 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 4.117 4.918 -3.944) 7.529 2.835 ( 4.117 4.918 3.944) 7.529 2.930 ( -5.140 6.478 -3.684) 9.053 2.930 ( -5.140 6.478 3.684) 9.053 3.109 ( 0.717 7.468 -1.008) 7.570 3.109 ( 0.717 7.468 1.008) 7.570 3.308 ( -0.929 2.693 -1.549) 3.242 3.308 ( -0.929 2.693 1.549) 3.242 3.408 ( 3.416 -0.261 -1.624) 3.791 3.408 ( 3.416 -0.261 1.624) 3.791 3.525 ( -3.111 -1.596 -1.765) 3.917 3.525 ( -3.111 -1.596 1.765) 3.917 3.787 ( 4.524 0.939 -0.861) 4.700 3.787 ( 4.524 0.939 0.861) 4.700 3.906 ( -4.589 -3.212 -1.514) 5.803 3.906 ( -4.589 -3.212 1.514) 5.803 4.480 ( 5.440 4.317 -0.664) 6.977 4.480 ( 5.440 4.317 0.664) 6.977 4.600 ( -5.958 3.518 -2.810) 7.468 4.600 ( -5.958 3.518 2.810) 7.468 5.095 ( 2.366 6.072 -4.819) 8.105 5.095 ( 2.366 6.072 4.819) 8.105 5.137 ( 0.447 5.142 -1.842) 5.480 5.137 ( 0.447 5.142 1.842) 5.480 5.889 ( -1.387 2.029 -0.675) 2.549 5.889 ( -1.387 2.029 0.675) 2.549 5.935 ( -0.969 -0.192 -1.130) 1.501 5.935 ( -0.969 -0.192 1.130) 1.501 7.205 ( 4.682 2.375 -2.251) 5.713 7.205 ( 4.682 2.375 2.251) 5.713 7.321 ( -6.968 2.641 -4.235) 8.571 7.321 ( -6.968 2.641 4.235) 8.571 7.671 ( 10.338 10.420 -1.418) 14.747 7.671 ( 10.338 10.420 1.418) 14.747 8.009 ( -2.048 1.772 -3.523) 4.444 8.009 ( -2.048 1.772 3.523) 4.444 8.296 ( 1.906 3.790 -15.352) 15.928 8.296 ( 1.906 3.790 15.352) 15.928 8.392 ( -4.917 0.926 -13.907) 14.779 8.392 ( -4.917 0.926 13.907) 14.779 9.152 ( 4.242 3.854 -5.120) 7.686 9.152 ( 4.242 3.854 5.120) 7.686 9.265 ( -3.466 1.416 -3.498) 5.124 9.265 ( -3.466 1.416 3.498) 5.124 9.519 ( 1.032 -11.572 -3.554) 12.149 9.519 ( 1.032 -11.572 3.554) 12.149 9.594 ( 1.002 -9.128 -3.916) 9.983 9.594 ( 1.002 -9.128 3.916) 9.983 10.041 ( 13.437 2.953 -2.430) 13.971 10.041 ( 13.437 2.953 2.430) 13.971 10.163 ( 8.110 1.581 -1.888) 8.476 10.163 ( 8.111 1.581 1.888) 8.476 10.430 ( -17.536 8.891 -4.824) 20.244 10.430 ( -17.536 8.891 4.824) 20.244 10.615 ( -12.148 -1.576 -5.029) 13.242 10.615 ( -12.148 -1.576 5.029) 13.242 11.488 ( 6.926 -1.197 -11.197) 13.220 11.488 ( 6.926 -1.197 11.197) 13.220 11.638 ( -6.645 -3.590 -13.075) 15.100 11.638 ( -6.645 -3.590 13.075) 15.100 11.855 ( 7.493 15.679 -4.237) 17.887 11.855 ( 7.493 15.679 4.237) 17.887 12.111 ( -7.271 10.292 -4.489) 13.377 12.111 ( -7.271 10.292 4.489) 13.377 12.885 ( 5.251 4.700 -1.492) 7.204 12.885 ( 5.251 4.700 1.492) 7.204 12.979 ( -4.182 4.192 -1.428) 6.091 12.979 ( -4.182 4.192 1.428) 6.091 13.652 ( 2.432 -2.061 -7.180) 7.856 13.652 ( 2.432 -2.061 7.180) 7.856 13.683 ( -0.606 -0.305 -9.005) 9.030 13.683 ( -0.606 -0.305 9.005) 9.030 15.200 ( 6.293 2.061 -8.327) 10.639 15.200 ( 6.293 2.061 8.327) 10.639 15.289 ( -1.650 -1.154 -8.840) 9.067 15.289 ( -1.650 -1.154 8.840) 9.067 15.439 ( -1.138 -4.665 -11.516) 12.477 15.439 ( -1.138 -4.665 11.516) 12.477 15.459 ( -2.399 -2.280 -3.144) 4.565 15.459 ( -2.399 -2.280 3.144) 4.565 17.571 ( 0.457 3.301 -0.371) 3.353 17.571 ( 0.457 3.301 0.371) 3.353 17.632 ( -1.110 2.164 -3.270) 4.075 17.632 ( -1.110 2.164 3.270) 4.075 18.904 ( 0.800 2.646 -4.124) 4.965 18.904 ( 0.800 2.646 4.125) 4.965 19.097 ( -1.210 -7.041 -5.215) 8.845 19.097 ( -1.210 -7.041 5.215) 8.845 22.188 ( 5.147 -2.612 -1.464) 5.954 22.188 ( 5.147 -2.612 1.464) 5.954 22.364 ( -5.455 -6.324 -1.550) 8.494 22.364 ( -5.455 -6.324 1.550) 8.494 24.033 ( 1.082 -0.111 -0.840) 1.374 24.033 ( 1.082 -0.111 0.840) 1.374 24.146 ( -0.114 -4.668 -0.732) 4.726 24.146 ( -0.114 -4.668 0.732) 4.726 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.764 ( 0.000 0.000 -0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 -0.000) 0.000 3.142 ( 0.000 -0.000 0.000) 0.000 3.149 ( 0.000 0.000 -0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 -0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 -0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 -0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 -0.000) 0.000 4.478 ( 0.000 0.000 -0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 -0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 -0.000) 0.000 5.028 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 -0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 -0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 -0.000 -0.000) 0.000 5.995 ( 0.000 0.000 -0.000) 0.000 7.198 ( 0.000 0.000 -0.000) 0.000 7.198 ( 0.000 0.000 0.000) 0.000 7.340 ( 0.000 0.000 -0.000) 0.000 7.340 ( 0.000 0.000 0.000) 0.000 7.634 ( 0.000 0.000 -0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 7.934 ( 0.000 0.000 -0.000) 0.000 7.934 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 -0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 -0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 -0.000 -0.000) 0.000 9.195 ( 0.000 -0.000 0.000) 0.000 9.223 ( 0.000 0.000 -0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.681 ( 0.000 0.000 -0.000) 0.000 9.681 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 -0.000 -0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 11.038 ( 0.000 0.000 -0.000) 0.000 11.038 ( 0.000 0.000 0.000) 0.000 11.049 ( 0.000 0.000 -0.000) 0.000 11.049 ( 0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 -0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.738 ( 0.000 0.000 -0.002) 0.002 11.738 ( 0.000 0.001 0.002) 0.002 11.742 ( 0.000 -0.000 -0.002) 0.002 11.742 ( 0.000 -0.000 0.002) 0.002 12.466 ( 0.000 0.000 -0.000) 0.000 12.466 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 -0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 13.095 ( 0.000 0.000 -0.000) 0.000 13.095 ( 0.000 0.000 -0.000) 0.000 13.498 ( 0.000 0.000 -0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 13.690 ( 0.000 0.000 0.000) 0.000 13.690 ( 0.000 0.000 0.000) 0.000 15.087 ( 0.000 -0.000 -0.001) 0.001 15.087 ( 0.000 -0.000 0.001) 0.001 15.244 ( 0.000 0.000 -0.000) 0.001 15.244 ( 0.000 0.001 0.001) 0.001 15.430 ( 0.000 0.000 -0.001) 0.001 15.430 ( 0.000 0.000 0.000) 0.000 15.537 ( 0.000 0.000 -0.000) 0.000 15.537 ( 0.000 0.000 0.001) 0.001 17.582 ( 0.000 0.000 -0.000) 0.000 17.582 ( 0.000 0.000 0.000) 0.000 17.709 ( 0.000 0.000 0.000) 0.000 17.709 ( 0.000 0.000 0.000) 0.000 18.907 ( 0.000 0.000 -0.000) 0.000 18.907 ( 0.000 0.000 0.000) 0.000 19.056 ( 0.000 0.000 -0.000) 0.000 19.056 ( 0.000 0.000 0.000) 0.000 22.031 ( 0.000 0.000 0.000) 0.000 22.031 ( 0.000 0.000 0.000) 0.000 22.442 ( 0.000 0.000 -0.000) 0.000 22.442 ( 0.000 0.000 0.000) 0.000 23.951 ( 0.000 0.000 -0.000) 0.000 23.951 ( 0.000 0.000 0.000) 0.000 24.139 ( 0.000 0.000 0.000) 0.000 24.139 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.799 ( 3.360 0.000 -0.000) 3.360 2.799 ( 3.360 0.000 0.000) 3.360 3.091 ( -4.539 0.000 0.000) 4.539 3.091 ( -4.539 0.000 0.000) 4.539 3.170 ( 2.785 0.000 -0.000) 2.785 3.170 ( 2.785 0.000 -0.000) 2.785 3.237 ( 2.126 0.000 -0.000) 2.126 3.237 ( 2.126 0.000 0.000) 2.126 3.493 ( -2.540 0.000 -0.000) 2.540 3.493 ( -2.540 0.000 0.000) 2.540 3.535 ( -2.628 -0.000 0.000) 2.628 3.535 ( -2.628 0.000 0.000) 2.628 3.721 ( 3.067 0.000 -0.000) 3.067 3.721 ( 3.067 0.000 0.000) 3.067 3.931 ( -1.495 0.000 -0.000) 1.495 3.931 ( -1.495 0.000 -0.000) 1.495 4.473 ( 0.453 0.000 -0.000) 0.453 4.473 ( 0.453 0.000 0.000) 0.453 4.731 ( -3.390 0.000 0.000) 3.390 4.731 ( -3.390 0.000 0.000) 3.390 5.076 ( 4.147 0.000 -0.000) 4.147 5.076 ( 4.147 0.000 0.000) 4.147 5.168 ( 1.462 0.000 -0.000) 1.462 5.168 ( 1.462 0.000 0.000) 1.462 5.957 ( -2.696 0.000 0.000) 2.696 5.957 ( -2.696 0.000 0.000) 2.696 5.974 ( -1.956 0.000 -0.000) 1.956 5.974 ( -1.956 0.000 0.000) 1.956 7.181 ( 0.419 0.000 -0.000) 0.419 7.181 ( 0.419 0.000 0.000) 0.419 7.506 ( 13.789 0.000 -0.001) 13.789 7.506 ( 13.789 0.000 0.000) 13.789 7.513 ( -9.029 -0.000 -0.000) 9.029 7.513 ( -9.029 -0.000 0.001) 9.029 8.006 ( 3.847 0.000 -0.000) 3.847 8.006 ( 3.847 0.000 0.000) 3.847 8.307 ( 0.021 0.000 -0.000) 0.021 8.307 ( 0.021 0.000 0.000) 0.021 8.488 ( -2.225 0.000 -0.000) 2.225 8.488 ( -2.225 0.000 0.000) 2.225 9.213 ( 1.380 -0.000 -0.000) 1.380 9.213 ( 1.380 -0.000 0.000) 1.380 9.235 ( 0.902 0.000 -0.000) 0.902 9.235 ( 0.902 0.000 0.000) 0.902 9.328 ( 2.654 0.000 0.000) 2.654 9.328 ( 2.654 0.000 0.000) 2.654 9.592 ( -5.956 0.000 0.000) 5.956 9.592 ( -5.956 0.000 -0.000) 5.956 9.844 ( 5.672 0.000 -0.000) 5.672 9.844 ( 5.672 0.000 0.000) 5.672 9.988 ( 10.344 0.000 -0.000) 10.344 9.988 ( 10.344 0.000 0.000) 10.344 10.868 ( -13.518 0.000 -0.000) 13.518 10.868 ( -13.518 0.000 0.000) 13.518 10.892 ( -14.935 0.000 -0.000) 14.935 10.892 ( -14.935 0.000 0.000) 14.935 11.339 ( 5.680 0.000 -0.000) 5.680 11.339 ( 5.680 0.000 0.000) 5.680 11.700 ( -4.166 0.000 -0.000) 4.166 11.700 ( -4.166 0.000 0.000) 4.166 11.830 ( 8.311 0.000 -0.000) 8.311 11.830 ( 8.311 0.000 0.000) 8.311 12.390 ( -6.943 0.000 -0.000) 6.943 12.390 ( -6.943 0.000 0.000) 6.943 12.848 ( 4.525 0.000 -0.000) 4.525 12.848 ( 4.525 0.000 0.000) 4.525 13.080 ( -1.648 0.000 -0.000) 1.648 13.080 ( -1.648 0.000 -0.000) 1.648 13.541 ( 3.804 0.000 -0.000) 3.804 13.541 ( 3.804 0.000 0.000) 3.804 13.688 ( -0.354 0.000 0.000) 0.354 13.688 ( -0.354 0.000 0.000) 0.354 15.119 ( 3.099 -0.000 -0.001) 3.099 15.119 ( 3.099 -0.000 0.001) 3.099 15.262 ( 1.450 0.000 -0.000) 1.450 15.262 ( 1.450 0.001 0.001) 1.450 15.414 ( -1.336 0.000 -0.001) 1.336 15.414 ( -1.336 0.000 0.000) 1.336 15.516 ( -2.022 0.000 -0.000) 2.022 15.516 ( -2.022 0.000 0.001) 2.022 17.588 ( 0.629 0.000 -0.000) 0.629 17.588 ( 0.629 0.000 0.000) 0.629 17.689 ( -1.869 0.000 0.000) 1.869 17.689 ( -1.869 0.000 0.000) 1.869 18.922 ( 1.429 0.000 -0.000) 1.429 18.922 ( 1.429 0.000 0.000) 1.429 19.041 ( -1.424 0.000 -0.000) 1.424 19.041 ( -1.424 0.000 0.000) 1.424 22.067 ( 3.622 0.000 0.000) 3.622 22.067 ( 3.622 0.000 0.000) 3.622 22.398 ( -4.234 0.000 -0.000) 4.234 22.398 ( -4.234 0.000 0.000) 4.234 23.977 ( 2.501 0.000 -0.000) 2.501 23.977 ( 2.501 0.000 0.000) 2.501 24.128 ( -1.145 0.000 0.000) 1.145 24.128 ( -1.145 0.000 0.000) 1.145 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.885 ( 5.154 0.000 -0.000) 5.154 2.885 ( 5.154 0.000 0.000) 5.154 2.991 ( -5.423 0.000 0.000) 5.423 2.991 ( -5.423 0.000 0.000) 5.423 3.239 ( 3.530 0.000 -0.000) 3.530 3.239 ( 3.530 0.000 0.000) 3.530 3.270 ( 0.668 -0.000 0.000) 0.668 3.270 ( 0.668 -0.000 -0.000) 0.668 3.448 ( -1.346 0.000 0.000) 1.346 3.448 ( -1.346 0.000 0.000) 1.346 3.469 ( -3.311 -0.000 -0.000) 3.311 3.469 ( -3.311 0.000 0.000) 3.311 3.794 ( 4.183 0.000 -0.000) 4.183 3.794 ( 4.183 0.000 0.000) 4.183 3.877 ( -3.889 0.000 -0.000) 3.889 3.877 ( -3.889 0.000 0.000) 3.889 4.524 ( 4.760 0.000 -0.000) 4.760 4.524 ( 4.760 0.000 0.000) 4.760 4.636 ( -5.902 0.000 -0.000) 5.902 4.636 ( -5.902 0.000 0.000) 5.902 5.157 ( 3.327 0.000 -0.000) 3.327 5.157 ( 3.327 0.000 0.000) 3.327 5.189 ( 0.087 0.000 -0.000) 0.087 5.189 ( 0.087 0.000 0.000) 0.087 5.916 ( -0.790 0.000 -0.000) 0.790 5.916 ( -0.790 0.000 0.000) 0.790 5.931 ( -1.963 0.000 -0.000) 1.963 5.931 ( -1.963 0.000 0.000) 1.963 7.230 ( 4.351 0.000 -0.000) 4.351 7.230 ( 4.351 0.000 0.000) 4.351 7.346 ( -7.422 0.000 -0.000) 7.422 7.346 ( -7.422 0.000 0.000) 7.422 7.804 ( 14.797 0.000 -0.000) 14.797 7.804 ( 14.797 0.000 0.000) 14.797 8.008 ( -4.754 0.000 -0.000) 4.754 8.008 ( -4.754 0.000 0.000) 4.754 8.320 ( 1.780 0.000 -0.000) 1.780 8.320 ( 1.780 0.000 0.000) 1.780 8.397 ( -5.873 0.000 -0.000) 5.873 8.397 ( -5.873 0.000 0.000) 5.873 9.235 ( 0.926 -0.000 -0.000) 0.926 9.235 ( 0.926 -0.000 0.000) 0.926 9.246 ( 0.015 0.001 -0.000) 0.015 9.246 ( 0.015 0.000 0.000) 0.015 9.403 ( 4.236 0.000 0.000) 4.236 9.403 ( 4.236 0.000 0.000) 4.236 9.487 ( -4.633 0.000 -0.000) 4.633 9.487 ( -4.633 0.000 0.000) 4.633 10.058 ( 15.755 0.000 -0.000) 15.755 10.058 ( 15.755 0.000 0.000) 15.755 10.205 ( 9.263 0.000 -0.000) 9.263 10.205 ( 9.263 0.000 0.000) 9.263 10.540 ( -16.916 -0.000 -0.000) 16.916 10.540 ( -16.916 -0.000 0.000) 16.916 10.582 ( -14.228 0.000 -0.000) 14.228 10.582 ( -14.228 0.000 0.000) 14.228 11.458 ( 6.522 0.000 -0.000) 6.522 11.458 ( 6.522 0.000 0.000) 6.522 11.590 ( -6.578 0.000 -0.000) 6.578 11.590 ( -6.578 0.000 0.000) 6.578 12.021 ( 10.462 0.000 -0.000) 10.462 12.021 ( 10.462 0.000 0.000) 10.462 12.222 ( -9.724 0.000 -0.000) 9.724 12.222 ( -9.724 0.000 0.000) 9.724 12.946 ( 4.948 0.000 -0.000) 4.948 12.946 ( 4.948 0.000 0.000) 4.948 13.030 ( -3.451 0.000 -0.000) 3.451 13.030 ( -3.451 0.000 -0.000) 3.451 13.619 ( 3.530 0.000 -0.000) 3.530 13.619 ( 3.530 0.000 0.000) 3.530 13.670 ( -1.660 0.000 -0.000) 1.660 13.670 ( -1.660 0.000 0.000) 1.660 15.197 ( 4.395 0.000 -0.001) 4.395 15.197 ( 4.395 0.000 0.001) 4.395 15.267 ( -1.920 0.000 -0.001) 1.920 15.267 ( -1.920 0.000 0.001) 1.920 15.407 ( 1.529 0.000 -0.001) 1.529 15.407 ( 1.529 0.000 0.001) 1.529 15.462 ( -3.255 0.000 -0.000) 3.255 15.462 ( -3.255 0.000 0.001) 3.255 17.609 ( 1.501 0.000 -0.000) 1.501 17.609 ( 1.501 0.000 0.000) 1.501 17.646 ( -2.254 0.000 0.000) 2.254 17.646 ( -2.254 0.000 0.000) 2.254 18.959 ( 2.237 0.000 -0.000) 2.237 18.959 ( 2.237 0.000 0.000) 2.237 19.004 ( -2.243 0.000 -0.000) 2.243 19.004 ( -2.243 0.000 -0.000) 2.243 22.165 ( 6.013 0.000 0.000) 6.013 22.165 ( 6.013 0.000 0.000) 6.013 22.290 ( -6.369 0.000 -0.000) 6.369 22.290 ( -6.369 0.000 0.000) 6.369 24.037 ( 3.222 0.000 -0.000) 3.222 24.037 ( 3.222 0.000 0.000) 3.222 24.093 ( -2.409 0.000 0.000) 2.409 24.093 ( -2.409 0.000 0.000) 2.409 =================== 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 3/26880 10.0 3430.113 2640.667 1245.450 0.000 0.000 0.000 3/26880 20.0 632.346 912.368 601.925 0.000 0.000 -0.000 3/26880 30.0 219.558 386.913 245.503 0.000 0.000 -0.000 3/26880 40.0 110.280 213.632 129.542 0.000 0.000 -0.000 3/26880 50.0 67.453 136.952 80.343 0.000 0.000 -0.000 3/26880 60.0 46.114 95.894 55.075 0.000 0.000 -0.000 3/26880 70.0 33.862 71.366 40.407 0.000 0.000 -0.000 3/26880 80.0 26.168 55.620 31.162 0.000 0.000 -0.000 3/26880 90.0 21.022 44.951 24.974 0.000 0.000 -0.000 3/26880 100.0 17.410 37.400 20.633 0.000 0.000 -0.000 3/26880 110.0 14.775 31.858 17.472 0.000 0.000 -0.000 3/26880 120.0 12.789 27.664 15.096 0.000 0.000 -0.000 3/26880 130.0 11.251 24.407 13.261 0.000 0.000 -0.000 3/26880 140.0 10.032 21.818 11.812 0.000 0.000 -0.000 3/26880 150.0 9.047 19.721 10.644 0.000 0.000 -0.000 3/26880 160.0 8.236 17.993 9.686 0.000 0.000 -0.000 3/26880 170.0 7.559 16.548 8.889 0.000 0.000 -0.000 3/26880 180.0 6.986 15.323 8.215 0.000 0.000 -0.000 3/26880 190.0 6.495 14.273 7.640 0.000 0.000 -0.000 3/26880 200.0 6.071 13.364 7.144 0.000 0.000 -0.000 3/26880 210.0 5.700 12.569 6.711 0.000 0.000 -0.000 3/26880 220.0 5.373 11.868 6.330 0.000 0.000 -0.000 3/26880 230.0 5.083 11.246 5.992 0.000 0.000 -0.000 3/26880 240.0 4.824 10.689 5.691 0.000 0.000 -0.000 3/26880 250.0 4.592 10.189 5.420 0.000 0.000 -0.000 3/26880 260.0 4.381 9.736 5.175 0.000 0.000 -0.000 3/26880 270.0 4.190 9.324 4.953 0.000 0.000 -0.000 3/26880 280.0 4.016 8.948 4.750 0.000 0.000 -0.000 3/26880 290.0 3.857 8.602 4.564 0.000 0.000 -0.000 3/26880 300.0 3.710 8.285 4.393 0.000 0.000 -0.000 3/26880 310.0 3.574 7.991 4.235 0.000 0.000 -0.000 3/26880 320.0 3.449 7.718 4.088 0.000 0.000 -0.000 3/26880 330.0 3.332 7.465 3.952 0.000 0.000 -0.000 3/26880 340.0 3.223 7.228 3.825 0.000 0.000 -0.000 3/26880 350.0 3.122 7.007 3.707 0.000 0.000 -0.000 3/26880 360.0 3.027 6.800 3.595 0.000 0.000 -0.000 3/26880 370.0 2.938 6.605 3.491 0.000 0.000 -0.000 3/26880 380.0 2.854 6.422 3.393 0.000 0.000 -0.000 3/26880 390.0 2.775 6.249 3.300 0.000 0.000 -0.000 3/26880 400.0 2.700 6.085 3.212 0.000 0.000 -0.000 3/26880 410.0 2.630 5.930 3.130 0.000 0.000 -0.000 3/26880 420.0 2.563 5.783 3.051 0.000 0.000 -0.000 3/26880 430.0 2.500 5.644 2.976 0.000 0.000 -0.000 3/26880 440.0 2.439 5.511 2.906 0.000 0.000 -0.000 3/26880 450.0 2.382 5.384 2.838 0.000 0.000 -0.000 3/26880 460.0 2.327 5.264 2.774 0.000 0.000 -0.000 3/26880 470.0 2.275 5.149 2.712 0.000 0.000 -0.000 3/26880 480.0 2.226 5.039 2.654 0.000 0.000 -0.000 3/26880 490.0 2.178 4.933 2.597 0.000 0.000 -0.000 3/26880 500.0 2.133 4.832 2.544 0.000 0.000 -0.000 3/26880 510.0 2.089 4.736 2.492 0.000 0.000 -0.000 3/26880 520.0 2.047 4.643 2.443 0.000 0.000 -0.000 3/26880 530.0 2.007 4.553 2.395 0.000 0.000 -0.000 3/26880 540.0 1.968 4.468 2.350 0.000 0.000 -0.000 3/26880 550.0 1.931 4.385 2.306 0.000 0.000 -0.000 3/26880 560.0 1.896 4.306 2.263 0.000 0.000 -0.000 3/26880 570.0 1.861 4.229 2.223 0.000 0.000 -0.000 3/26880 580.0 1.828 4.155 2.184 0.000 0.000 -0.000 3/26880 590.0 1.796 4.084 2.146 0.000 0.000 -0.000 3/26880 600.0 1.766 4.015 2.109 0.000 0.000 -0.000 3/26880 610.0 1.736 3.948 2.074 0.000 0.000 -0.000 3/26880 620.0 1.707 3.884 2.040 0.000 0.000 -0.000 3/26880 630.0 1.679 3.822 2.007 0.000 0.000 -0.000 3/26880 640.0 1.652 3.761 1.975 0.000 0.000 -0.000 3/26880 650.0 1.626 3.703 1.944 0.000 0.000 -0.000 3/26880 660.0 1.601 3.646 1.914 0.000 0.000 -0.000 3/26880 670.0 1.577 3.592 1.885 0.000 0.000 -0.000 3/26880 680.0 1.553 3.538 1.857 0.000 0.000 -0.000 3/26880 690.0 1.530 3.487 1.829 0.000 0.000 -0.000 3/26880 700.0 1.508 3.437 1.803 0.000 0.000 -0.000 3/26880 710.0 1.486 3.388 1.777 0.000 0.000 -0.000 3/26880 720.0 1.465 3.341 1.752 0.000 0.000 -0.000 3/26880 730.0 1.445 3.295 1.728 0.000 0.000 -0.000 3/26880 740.0 1.425 3.250 1.704 0.000 0.000 -0.000 3/26880 750.0 1.405 3.206 1.681 0.000 0.000 -0.000 3/26880 760.0 1.387 3.164 1.659 0.000 0.000 -0.000 3/26880 770.0 1.368 3.123 1.637 0.000 0.000 -0.000 3/26880 780.0 1.351 3.082 1.616 0.000 0.000 -0.000 3/26880 790.0 1.333 3.043 1.595 0.000 0.000 -0.000 3/26880 800.0 1.316 3.005 1.575 0.000 0.000 -0.000 3/26880 810.0 1.300 2.968 1.555 0.000 0.000 -0.000 3/26880 820.0 1.284 2.931 1.536 0.000 0.000 -0.000 3/26880 830.0 1.268 2.896 1.517 0.000 0.000 -0.000 3/26880 840.0 1.253 2.861 1.499 0.000 0.000 -0.000 3/26880 850.0 1.238 2.828 1.481 0.000 0.000 -0.000 3/26880 860.0 1.223 2.795 1.464 0.000 0.000 -0.000 3/26880 870.0 1.209 2.762 1.447 0.000 0.000 -0.000 3/26880 880.0 1.195 2.731 1.430 0.000 0.000 -0.000 3/26880 890.0 1.182 2.700 1.414 0.000 0.000 -0.000 3/26880 900.0 1.168 2.670 1.398 0.000 0.000 -0.000 3/26880 910.0 1.155 2.641 1.383 0.000 0.000 -0.000 3/26880 920.0 1.143 2.612 1.368 0.000 0.000 -0.000 3/26880 930.0 1.130 2.584 1.353 0.000 0.000 -0.000 3/26880 940.0 1.118 2.556 1.338 0.000 0.000 -0.000 3/26880 950.0 1.106 2.529 1.324 0.000 0.000 -0.000 3/26880 960.0 1.095 2.503 1.310 0.000 0.000 -0.000 3/26880 970.0 1.083 2.477 1.297 0.000 0.000 -0.000 3/26880 980.0 1.072 2.452 1.283 0.000 0.000 -0.000 3/26880 990.0 1.061 2.427 1.270 0.000 0.000 -0.000 3/26880 1000.0 1.050 2.403 1.258 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:11:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|