----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:12:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.291424535000000 -4.324225355000000 0.000000000000000 b 3.291424535000000 4.324225355000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.812197500000002 Atomic positions (fractional): *1 Hf 0.20651428859359 0.79348571140641 0.56097750575182 178.490 2 Hf 0.79348571140641 0.20651428859360 0.43902249424818 178.490 3 Hf 0.29348571140641 0.70651428859359 0.06097750575182 178.490 4 Hf 0.70651428859359 0.29348571140640 0.93902249424818 178.490 *5 P 0.10623898142225 0.89376101857775 0.85231890771649 30.974 6 P 0.89376101857775 0.10623898142225 0.14768109228351 30.974 7 P 0.39376101857775 0.60623898142225 0.35231890771649 30.974 8 P 0.60623898142225 0.39376101857775 0.64768109228351 30.974 *9 O 0.63103667434436 0.01491200376397 0.08443336377638 15.999 10 O 0.13103667434436 0.51491200376397 0.41556663622362 15.999 11 O 0.51491200376397 0.13103667434436 0.58443336377638 15.999 12 O 0.01491200376397 0.63103667434436 0.91556663622362 15.999 *13 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 *14 O 0.86158758450413 0.13841241549587 0.27341039073550 15.999 15 O 0.63841241549587 0.36158758450413 0.77341039073550 15.999 16 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 *17 O 0.56520248150974 0.43479751849026 0.37702233707499 15.999 18 O 0.93479751849026 0.06520248150974 0.87702233707499 15.999 19 O 0.43479751849026 0.56520248150974 0.62297766292501 15.999 20 O 0.06520248150974 0.93479751849026 0.12297766292501 15.999 21 O 0.13841241549587 0.86158758450413 0.72658960926450 15.999 22 O 0.36158758450413 0.63841241549587 0.22658960926450 15.999 23 O 0.48508799623603 0.86896332565564 0.41556663622362 15.999 24 O 0.36896332565564 0.98508799623603 0.91556663622362 15.999 25 O 0.98508799623603 0.36896332565564 0.08443336377638 15.999 26 O 0.86896332565564 0.48508799623603 0.58443336377638 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.582849070000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.648450710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.812197500000002 Atomic positions (fractional): *1 Hf 0.50000000000000 0.29348571140641 0.56097750575182 178.490 > 1 2 Hf 0.50000000000000 0.70651428859359 0.43902249424818 178.490 > 2 3 Hf 0.50000000000000 0.20651428859359 0.06097750575182 178.490 > 3 4 Hf 0.50000000000000 0.79348571140641 0.93902249424818 178.490 > 4 5 Hf 0.00000000000000 0.79348571140641 0.56097750575182 178.490 > 1 6 Hf 0.00000000000000 0.20651428859359 0.43902249424818 178.490 > 2 7 Hf 0.00000000000000 0.70651428859359 0.06097750575182 178.490 > 3 8 Hf 0.00000000000000 0.29348571140641 0.93902249424818 178.490 > 4 *9 P 0.50000000000000 0.39376101857775 0.85231890771649 30.974 > 5 10 P 0.50000000000000 0.60623898142225 0.14768109228351 30.974 > 6 11 P 0.50000000000000 0.10623898142225 0.35231890771649 30.974 > 7 12 P 0.50000000000000 0.89376101857775 0.64768109228351 30.974 > 8 13 P 0.00000000000000 0.89376101857775 0.85231890771649 30.974 > 5 14 P 0.00000000000000 0.10623898142225 0.14768109228351 30.974 > 6 15 P 0.00000000000000 0.60623898142225 0.35231890771649 30.974 > 7 16 P 0.00000000000000 0.39376101857775 0.64768109228351 30.974 > 8 *17 O 0.32297433905417 0.69193766470980 0.08443336377638 15.999 > 9 18 O 0.32297433905417 0.19193766470980 0.41556663622362 15.999 > 10 19 O 0.32297433905417 0.80806233529020 0.58443336377638 15.999 > 11 20 O 0.32297433905417 0.30806233529020 0.91556663622362 15.999 > 12 *21 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 13 *22 O 0.50000000000000 0.63841241549587 0.27341039073550 15.999 > 14 23 O 0.50000000000000 0.86158758450413 0.77341039073550 15.999 > 15 24 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 16 *25 O 0.50000000000000 0.93479751849026 0.37702233707499 15.999 > 17 26 O 0.50000000000000 0.56520248150974 0.87702233707499 15.999 > 18 27 O 0.50000000000000 0.06520248150974 0.62297766292501 15.999 > 19 28 O 0.50000000000000 0.43479751849026 0.12297766292501 15.999 > 20 29 O 0.50000000000000 0.36158758450413 0.72658960926450 15.999 > 21 30 O 0.50000000000000 0.13841241549586 0.22658960926450 15.999 > 22 31 O 0.67702566094583 0.19193766470980 0.41556663622362 15.999 > 23 32 O 0.67702566094583 0.30806233529020 0.91556663622362 15.999 > 24 33 O 0.67702566094583 0.69193766470980 0.08443336377638 15.999 > 25 34 O 0.67702566094583 0.80806233529020 0.58443336377638 15.999 > 26 35 O 0.82297433905417 0.19193766470980 0.08443336377638 15.999 > 9 36 O 0.82297433905417 0.69193766470980 0.41556663622362 15.999 > 10 37 O 0.82297433905417 0.30806233529020 0.58443336377638 15.999 > 11 38 O 0.82297433905417 0.80806233529020 0.91556663622362 15.999 > 12 39 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 13 40 O 0.00000000000000 0.13841241549586 0.27341039073550 15.999 > 14 41 O 0.00000000000000 0.36158758450413 0.77341039073550 15.999 > 15 42 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 16 43 O 0.00000000000000 0.43479751849026 0.37702233707499 15.999 > 17 44 O 0.00000000000000 0.06520248150974 0.87702233707499 15.999 > 18 45 O 0.00000000000000 0.56520248150974 0.62297766292501 15.999 > 19 46 O 0.00000000000000 0.93479751849026 0.12297766292501 15.999 > 20 47 O 0.00000000000000 0.86158758450413 0.72658960926450 15.999 > 21 48 O 0.00000000000000 0.63841241549587 0.22658960926450 15.999 > 22 49 O 0.17702566094583 0.69193766470980 0.41556663622362 15.999 > 23 50 O 0.17702566094583 0.80806233529020 0.91556663622362 15.999 > 24 51 O 0.17702566094583 0.19193766470980 0.08443336377638 15.999 > 25 52 O 0.17702566094583 0.30806233529020 0.58443336377638 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.165698140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.648450710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.812197500000002 Atomic positions (fractional): *1 Hf 0.25000000000000 0.29348571140641 0.56097750575182 178.490 > 1 2 Hf 0.75000000000000 0.29348571140641 0.56097750575182 178.490 > 1 3 Hf 0.25000000000000 0.70651428859359 0.43902249424818 178.490 > 2 4 Hf 0.75000000000000 0.70651428859359 0.43902249424818 178.490 > 2 5 Hf 0.25000000000000 0.20651428859359 0.06097750575182 178.490 > 3 6 Hf 0.75000000000000 0.20651428859359 0.06097750575182 178.490 > 3 7 Hf 0.25000000000000 0.79348571140641 0.93902249424818 178.490 > 4 8 Hf 0.75000000000000 0.79348571140641 0.93902249424818 178.490 > 4 9 Hf 0.00000000000000 0.79348571140641 0.56097750575182 178.490 > 1 10 Hf 0.50000000000000 0.79348571140641 0.56097750575182 178.490 > 1 11 Hf 0.00000000000000 0.20651428859359 0.43902249424818 178.490 > 2 12 Hf 0.50000000000000 0.20651428859359 0.43902249424818 178.490 > 2 13 Hf 0.00000000000000 0.70651428859359 0.06097750575182 178.490 > 3 14 Hf 0.50000000000000 0.70651428859359 0.06097750575182 178.490 > 3 15 Hf 0.00000000000000 0.29348571140641 0.93902249424818 178.490 > 4 16 Hf 0.50000000000000 0.29348571140641 0.93902249424818 178.490 > 4 *17 P 0.25000000000000 0.39376101857775 0.85231890771649 30.974 > 5 18 P 0.75000000000000 0.39376101857775 0.85231890771649 30.974 > 5 19 P 0.25000000000000 0.60623898142225 0.14768109228351 30.974 > 6 20 P 0.75000000000000 0.60623898142225 0.14768109228351 30.974 > 6 21 P 0.25000000000000 0.10623898142225 0.35231890771649 30.974 > 7 22 P 0.75000000000000 0.10623898142225 0.35231890771649 30.974 > 7 23 P 0.25000000000000 0.89376101857775 0.64768109228351 30.974 > 8 24 P 0.75000000000000 0.89376101857775 0.64768109228351 30.974 > 8 25 P 0.00000000000000 0.89376101857775 0.85231890771649 30.974 > 5 26 P 0.50000000000000 0.89376101857775 0.85231890771649 30.974 > 5 27 P 0.00000000000000 0.10623898142225 0.14768109228351 30.974 > 6 28 P 0.50000000000000 0.10623898142225 0.14768109228351 30.974 > 6 29 P 0.00000000000000 0.60623898142225 0.35231890771649 30.974 > 7 30 P 0.50000000000000 0.60623898142225 0.35231890771649 30.974 > 7 31 P 0.00000000000000 0.39376101857775 0.64768109228351 30.974 > 8 32 P 0.50000000000000 0.39376101857775 0.64768109228351 30.974 > 8 *33 O 0.16148716952708 0.69193766470980 0.08443336377638 15.999 > 9 34 O 0.66148716952708 0.69193766470980 0.08443336377638 15.999 > 9 35 O 0.16148716952708 0.19193766470980 0.41556663622362 15.999 > 10 36 O 0.66148716952708 0.19193766470980 0.41556663622362 15.999 > 10 37 O 0.16148716952708 0.80806233529020 0.58443336377638 15.999 > 11 38 O 0.66148716952708 0.80806233529020 0.58443336377638 15.999 > 11 39 O 0.16148716952708 0.30806233529020 0.91556663622362 15.999 > 12 40 O 0.66148716952708 0.30806233529020 0.91556663622362 15.999 > 12 *41 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 13 42 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 13 *43 O 0.25000000000000 0.63841241549587 0.27341039073550 15.999 > 14 44 O 0.75000000000000 0.63841241549587 0.27341039073550 15.999 > 14 45 O 0.25000000000000 0.86158758450413 0.77341039073550 15.999 > 15 46 O 0.75000000000000 0.86158758450413 0.77341039073550 15.999 > 15 47 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 16 48 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 16 *49 O 0.25000000000000 0.93479751849026 0.37702233707499 15.999 > 17 50 O 0.75000000000000 0.93479751849026 0.37702233707499 15.999 > 17 51 O 0.25000000000000 0.56520248150974 0.87702233707499 15.999 > 18 52 O 0.75000000000000 0.56520248150974 0.87702233707499 15.999 > 18 53 O 0.25000000000000 0.06520248150974 0.62297766292501 15.999 > 19 54 O 0.75000000000000 0.06520248150974 0.62297766292501 15.999 > 19 55 O 0.25000000000000 0.43479751849026 0.12297766292501 15.999 > 20 56 O 0.75000000000000 0.43479751849026 0.12297766292501 15.999 > 20 57 O 0.25000000000000 0.36158758450413 0.72658960926450 15.999 > 21 58 O 0.75000000000000 0.36158758450413 0.72658960926450 15.999 > 21 59 O 0.25000000000000 0.13841241549586 0.22658960926450 15.999 > 22 60 O 0.75000000000000 0.13841241549586 0.22658960926450 15.999 > 22 61 O 0.33851283047292 0.19193766470980 0.41556663622362 15.999 > 23 62 O 0.83851283047292 0.19193766470980 0.41556663622362 15.999 > 23 63 O 0.33851283047292 0.30806233529020 0.91556663622362 15.999 > 24 64 O 0.83851283047292 0.30806233529020 0.91556663622362 15.999 > 24 65 O 0.33851283047292 0.69193766470980 0.08443336377638 15.999 > 25 66 O 0.83851283047292 0.69193766470980 0.08443336377638 15.999 > 25 67 O 0.33851283047292 0.80806233529020 0.58443336377638 15.999 > 26 68 O 0.83851283047292 0.80806233529020 0.58443336377638 15.999 > 26 69 O 0.41148716952708 0.19193766470980 0.08443336377638 15.999 > 9 70 O 0.91148716952708 0.19193766470980 0.08443336377638 15.999 > 9 71 O 0.41148716952708 0.69193766470980 0.41556663622362 15.999 > 10 72 O 0.91148716952708 0.69193766470980 0.41556663622362 15.999 > 10 73 O 0.41148716952708 0.30806233529020 0.58443336377638 15.999 > 11 74 O 0.91148716952708 0.30806233529020 0.58443336377638 15.999 > 11 75 O 0.41148716952708 0.80806233529020 0.91556663622362 15.999 > 12 76 O 0.91148716952708 0.80806233529020 0.91556663622362 15.999 > 12 77 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 13 78 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 13 79 O 0.00000000000000 0.13841241549586 0.27341039073550 15.999 > 14 80 O 0.50000000000000 0.13841241549586 0.27341039073550 15.999 > 14 81 O 0.00000000000000 0.36158758450413 0.77341039073550 15.999 > 15 82 O 0.50000000000000 0.36158758450413 0.77341039073550 15.999 > 15 83 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 16 84 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 16 85 O 0.00000000000000 0.43479751849026 0.37702233707499 15.999 > 17 86 O 0.50000000000000 0.43479751849026 0.37702233707499 15.999 > 17 87 O 0.00000000000000 0.06520248150974 0.87702233707499 15.999 > 18 88 O 0.50000000000000 0.06520248150974 0.87702233707499 15.999 > 18 89 O 0.00000000000000 0.56520248150974 0.62297766292501 15.999 > 19 90 O 0.50000000000000 0.56520248150974 0.62297766292501 15.999 > 19 91 O 0.00000000000000 0.93479751849026 0.12297766292501 15.999 > 20 92 O 0.50000000000000 0.93479751849026 0.12297766292501 15.999 > 20 93 O 0.00000000000000 0.86158758450413 0.72658960926450 15.999 > 21 94 O 0.50000000000000 0.86158758450413 0.72658960926450 15.999 > 21 95 O 0.00000000000000 0.63841241549587 0.22658960926450 15.999 > 22 96 O 0.50000000000000 0.63841241549587 0.22658960926450 15.999 > 22 97 O 0.08851283047292 0.69193766470980 0.41556663622362 15.999 > 23 98 O 0.58851283047292 0.69193766470980 0.41556663622362 15.999 > 23 99 O 0.08851283047292 0.80806233529020 0.91556663622362 15.999 > 24 100 O 0.58851283047292 0.80806233529020 0.91556663622362 15.999 > 24 101 O 0.08851283047292 0.19193766470980 0.08443336377638 15.999 > 25 102 O 0.58851283047292 0.19193766470980 0.08443336377638 15.999 > 25 103 O 0.08851283047292 0.30806233529020 0.58443336377638 15.999 > 26 104 O 0.58851283047292 0.30806233529020 0.58443336377638 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1035529 0.0000000 0.0000000 0.0000000 3.6336624 0.0000000 0.0000000 0.0000000 3.4196672 -------------------------- Born effective charges -------------------------- 1 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 -0.2526334 0.0000000 -0.2675249 5.1852360 2 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 -0.2526334 0.0000000 -0.2675249 5.1852360 3 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 0.2526334 0.0000000 0.2675249 5.1852360 4 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 0.2526334 0.0000000 0.2675249 5.1852360 5 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 0.0238505 0.0000000 0.0742713 4.7526739 6 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 0.0238505 0.0000000 0.0742713 4.7526739 7 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 -0.0238505 0.0000000 -0.0742713 4.7526739 8 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 -0.0238505 0.0000000 -0.0742713 4.7526739 9 O -2.8416266 0.3813793 -0.3602627 0.2257478 -1.5151286 0.5879417 -0.1852463 0.5035785 -1.8098101 10 O -2.8416266 0.3813793 0.3602627 0.2257478 -1.5151286 -0.5879417 0.1852463 -0.5035785 -1.8098101 11 O -2.8416266 -0.3813793 -0.3602627 -0.2257478 -1.5151286 -0.5879417 -0.1852463 -0.5035785 -1.8098101 12 O -2.8416266 -0.3813793 0.3602627 -0.2257478 -1.5151286 0.5879417 0.1852463 0.5035785 -1.8098101 13 O -1.1551503 0.0000000 0.0000000 0.0000000 -4.9561314 -1.5457937 0.0000000 -1.6167661 -1.6048420 14 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 -0.6306095 0.0000000 -0.7159291 -4.0859010 15 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 0.6306095 0.0000000 0.7159291 -4.0859010 16 O -1.1551503 0.0000000 0.0000000 0.0000000 -4.9561314 1.5457937 0.0000000 1.6167661 -1.6048420 17 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 0.7576508 0.0000000 0.6829137 -1.4299677 18 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 -0.7576508 0.0000000 -0.6829137 -1.4299677 19 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 0.7576508 0.0000000 0.6829137 -1.4299677 20 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 -0.7576508 0.0000000 -0.6829137 -1.4299677 21 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 -0.6306095 0.0000000 -0.7159291 -4.0859010 22 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 0.6306095 0.0000000 0.7159291 -4.0859010 23 O -2.8416266 -0.3813793 -0.3602627 -0.2257478 -1.5151286 -0.5879417 -0.1852463 -0.5035785 -1.8098101 24 O -2.8416266 0.3813793 -0.3602627 0.2257478 -1.5151286 0.5879417 -0.1852463 0.5035785 -1.8098101 25 O -2.8416266 -0.3813793 0.3602627 -0.2257478 -1.5151286 0.5879417 0.1852463 0.5035785 -1.8098101 26 O -2.8416266 0.3813793 0.3602627 0.2257478 -1.5151286 -0.5879417 0.1852463 -0.5035785 -1.8098101 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 15450/15450 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1684 Number of blocks in projector: 1684 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: 422 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (1684, 1650), data: False |-- (250, 244), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (256, 254), data: True |-- (256, 254), data: True |-- (422, 410), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 2.291 Solver_block: 200 / 400 - Time: 2.306 Solver_block: 300 / 400 - Time: 2.306 Solver_block: 400 / 400 - Time: 2.306 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.249 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 15450/15450 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1684 Number of blocks in projector: 1684 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: 422 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (1684, 1650), data: False |-- (250, 244), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (256, 254), data: True |-- (256, 254), data: True |-- (422, 410), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:12:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:12:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.291424535000000 -4.324225355000000 0.000000000000000 b 3.291424535000000 4.324225355000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.812197500000002 Atomic positions (fractional): 1 Hf 0.20651428859359 0.79348571140641 0.56097750575182 178.490 2 Hf 0.79348571140641 0.20651428859360 0.43902249424818 178.490 3 Hf 0.29348571140641 0.70651428859359 0.06097750575182 178.490 4 Hf 0.70651428859359 0.29348571140640 0.93902249424818 178.490 5 P 0.10623898142225 0.89376101857775 0.85231890771649 30.974 6 P 0.89376101857775 0.10623898142225 0.14768109228351 30.974 7 P 0.39376101857775 0.60623898142225 0.35231890771649 30.974 8 P 0.60623898142225 0.39376101857775 0.64768109228351 30.974 9 O 0.63103667434436 0.01491200376397 0.08443336377638 15.999 10 O 0.13103667434436 0.51491200376397 0.41556663622362 15.999 11 O 0.51491200376397 0.13103667434436 0.58443336377638 15.999 12 O 0.01491200376397 0.63103667434436 0.91556663622362 15.999 13 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 14 O 0.86158758450413 0.13841241549587 0.27341039073550 15.999 15 O 0.63841241549587 0.36158758450413 0.77341039073550 15.999 16 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 17 O 0.56520248150974 0.43479751849026 0.37702233707499 15.999 18 O 0.93479751849026 0.06520248150974 0.87702233707499 15.999 19 O 0.43479751849026 0.56520248150974 0.62297766292501 15.999 20 O 0.06520248150974 0.93479751849026 0.12297766292501 15.999 21 O 0.13841241549587 0.86158758450413 0.72658960926450 15.999 22 O 0.36158758450413 0.63841241549587 0.22658960926450 15.999 23 O 0.48508799623603 0.86896332565564 0.41556663622362 15.999 24 O 0.36896332565564 0.98508799623603 0.91556663622362 15.999 25 O 0.98508799623603 0.36896332565564 0.08443336377638 15.999 26 O 0.86896332565564 0.48508799623603 0.58443336377638 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.165698140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.648450710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.812197500000002 Atomic positions (fractional): 1 Hf 0.25000000000000 0.29348571140641 0.56097750575182 178.490 > 1 2 Hf 0.75000000000000 0.29348571140641 0.56097750575182 178.490 > 1 3 Hf 0.25000000000000 0.70651428859359 0.43902249424818 178.490 > 3 4 Hf 0.75000000000000 0.70651428859359 0.43902249424818 178.490 > 3 5 Hf 0.25000000000000 0.20651428859359 0.06097750575182 178.490 > 5 6 Hf 0.75000000000000 0.20651428859359 0.06097750575182 178.490 > 5 7 Hf 0.25000000000000 0.79348571140641 0.93902249424818 178.490 > 7 8 Hf 0.75000000000000 0.79348571140641 0.93902249424818 178.490 > 7 9 Hf 0.00000000000000 0.79348571140641 0.56097750575182 178.490 > 1 10 Hf 0.50000000000000 0.79348571140641 0.56097750575182 178.490 > 1 11 Hf 0.00000000000000 0.20651428859359 0.43902249424818 178.490 > 3 12 Hf 0.50000000000000 0.20651428859359 0.43902249424818 178.490 > 3 13 Hf 0.00000000000000 0.70651428859359 0.06097750575182 178.490 > 5 14 Hf 0.50000000000000 0.70651428859359 0.06097750575182 178.490 > 5 15 Hf 0.00000000000000 0.29348571140641 0.93902249424818 178.490 > 7 16 Hf 0.50000000000000 0.29348571140641 0.93902249424818 178.490 > 7 17 P 0.25000000000000 0.39376101857775 0.85231890771649 30.974 > 17 18 P 0.75000000000000 0.39376101857775 0.85231890771649 30.974 > 17 19 P 0.25000000000000 0.60623898142225 0.14768109228351 30.974 > 19 20 P 0.75000000000000 0.60623898142225 0.14768109228351 30.974 > 19 21 P 0.25000000000000 0.10623898142225 0.35231890771649 30.974 > 21 22 P 0.75000000000000 0.10623898142225 0.35231890771649 30.974 > 21 23 P 0.25000000000000 0.89376101857775 0.64768109228351 30.974 > 23 24 P 0.75000000000000 0.89376101857775 0.64768109228351 30.974 > 23 25 P 0.00000000000000 0.89376101857775 0.85231890771649 30.974 > 17 26 P 0.50000000000000 0.89376101857775 0.85231890771649 30.974 > 17 27 P 0.00000000000000 0.10623898142225 0.14768109228351 30.974 > 19 28 P 0.50000000000000 0.10623898142225 0.14768109228351 30.974 > 19 29 P 0.00000000000000 0.60623898142225 0.35231890771649 30.974 > 21 30 P 0.50000000000000 0.60623898142225 0.35231890771649 30.974 > 21 31 P 0.00000000000000 0.39376101857775 0.64768109228351 30.974 > 23 32 P 0.50000000000000 0.39376101857775 0.64768109228351 30.974 > 23 33 O 0.16148716952708 0.69193766470980 0.08443336377638 15.999 > 33 34 O 0.66148716952708 0.69193766470980 0.08443336377638 15.999 > 33 35 O 0.16148716952708 0.19193766470980 0.41556663622362 15.999 > 35 36 O 0.66148716952708 0.19193766470980 0.41556663622362 15.999 > 35 37 O 0.16148716952708 0.80806233529020 0.58443336377638 15.999 > 37 38 O 0.66148716952708 0.80806233529020 0.58443336377638 15.999 > 37 39 O 0.16148716952708 0.30806233529020 0.91556663622362 15.999 > 39 40 O 0.66148716952708 0.30806233529020 0.91556663622362 15.999 > 39 41 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 41 42 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 41 43 O 0.25000000000000 0.63841241549587 0.27341039073550 15.999 > 43 44 O 0.75000000000000 0.63841241549587 0.27341039073550 15.999 > 43 45 O 0.25000000000000 0.86158758450413 0.77341039073550 15.999 > 45 46 O 0.75000000000000 0.86158758450413 0.77341039073550 15.999 > 45 47 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 47 48 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 47 49 O 0.25000000000000 0.93479751849026 0.37702233707499 15.999 > 49 50 O 0.75000000000000 0.93479751849026 0.37702233707499 15.999 > 49 51 O 0.25000000000000 0.56520248150974 0.87702233707499 15.999 > 51 52 O 0.75000000000000 0.56520248150974 0.87702233707499 15.999 > 51 53 O 0.25000000000000 0.06520248150974 0.62297766292501 15.999 > 53 54 O 0.75000000000000 0.06520248150974 0.62297766292501 15.999 > 53 55 O 0.25000000000000 0.43479751849026 0.12297766292501 15.999 > 55 56 O 0.75000000000000 0.43479751849026 0.12297766292501 15.999 > 55 57 O 0.25000000000000 0.36158758450413 0.72658960926450 15.999 > 57 58 O 0.75000000000000 0.36158758450413 0.72658960926450 15.999 > 57 59 O 0.25000000000000 0.13841241549586 0.22658960926450 15.999 > 59 60 O 0.75000000000000 0.13841241549586 0.22658960926450 15.999 > 59 61 O 0.33851283047292 0.19193766470980 0.41556663622362 15.999 > 61 62 O 0.83851283047292 0.19193766470980 0.41556663622362 15.999 > 61 63 O 0.33851283047292 0.30806233529020 0.91556663622362 15.999 > 63 64 O 0.83851283047292 0.30806233529020 0.91556663622362 15.999 > 63 65 O 0.33851283047292 0.69193766470980 0.08443336377638 15.999 > 65 66 O 0.83851283047292 0.69193766470980 0.08443336377638 15.999 > 65 67 O 0.33851283047292 0.80806233529020 0.58443336377638 15.999 > 67 68 O 0.83851283047292 0.80806233529020 0.58443336377638 15.999 > 67 69 O 0.41148716952708 0.19193766470980 0.08443336377638 15.999 > 33 70 O 0.91148716952708 0.19193766470980 0.08443336377638 15.999 > 33 71 O 0.41148716952708 0.69193766470980 0.41556663622362 15.999 > 35 72 O 0.91148716952708 0.69193766470980 0.41556663622362 15.999 > 35 73 O 0.41148716952708 0.30806233529020 0.58443336377638 15.999 > 37 74 O 0.91148716952708 0.30806233529020 0.58443336377638 15.999 > 37 75 O 0.41148716952708 0.80806233529020 0.91556663622362 15.999 > 39 76 O 0.91148716952708 0.80806233529020 0.91556663622362 15.999 > 39 77 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 41 78 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 41 79 O 0.00000000000000 0.13841241549586 0.27341039073550 15.999 > 43 80 O 0.50000000000000 0.13841241549586 0.27341039073550 15.999 > 43 81 O 0.00000000000000 0.36158758450413 0.77341039073550 15.999 > 45 82 O 0.50000000000000 0.36158758450413 0.77341039073550 15.999 > 45 83 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 47 84 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 47 85 O 0.00000000000000 0.43479751849026 0.37702233707499 15.999 > 49 86 O 0.50000000000000 0.43479751849026 0.37702233707499 15.999 > 49 87 O 0.00000000000000 0.06520248150974 0.87702233707499 15.999 > 51 88 O 0.50000000000000 0.06520248150974 0.87702233707499 15.999 > 51 89 O 0.00000000000000 0.56520248150974 0.62297766292501 15.999 > 53 90 O 0.50000000000000 0.56520248150974 0.62297766292501 15.999 > 53 91 O 0.00000000000000 0.93479751849026 0.12297766292501 15.999 > 55 92 O 0.50000000000000 0.93479751849026 0.12297766292501 15.999 > 55 93 O 0.00000000000000 0.86158758450413 0.72658960926450 15.999 > 57 94 O 0.50000000000000 0.86158758450413 0.72658960926450 15.999 > 57 95 O 0.00000000000000 0.63841241549587 0.22658960926450 15.999 > 59 96 O 0.50000000000000 0.63841241549587 0.22658960926450 15.999 > 59 97 O 0.08851283047292 0.69193766470980 0.41556663622362 15.999 > 61 98 O 0.58851283047292 0.69193766470980 0.41556663622362 15.999 > 61 99 O 0.08851283047292 0.80806233529020 0.91556663622362 15.999 > 63 100 O 0.58851283047292 0.80806233529020 0.91556663622362 15.999 > 63 101 O 0.08851283047292 0.19193766470980 0.08443336377638 15.999 > 65 102 O 0.58851283047292 0.19193766470980 0.08443336377638 15.999 > 65 103 O 0.08851283047292 0.30806233529020 0.58443336377638 15.999 > 67 104 O 0.58851283047292 0.30806233529020 0.58443336377638 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1035529 0.0000000 0.0000000 0.0000000 3.6336624 0.0000000 0.0000000 0.0000000 3.4196672 -------------------------- Born effective charges -------------------------- 1 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 -0.2526334 0.0000000 -0.2675249 5.1852360 2 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 -0.2526334 0.0000000 -0.2675249 5.1852360 3 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 0.2526334 0.0000000 0.2675249 5.1852360 4 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 0.2526334 0.0000000 0.2675249 5.1852360 5 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 0.0238505 0.0000000 0.0742713 4.7526739 6 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 0.0238505 0.0000000 0.0742713 4.7526739 7 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 -0.0238505 0.0000000 -0.0742713 4.7526739 8 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 -0.0238505 0.0000000 -0.0742713 4.7526739 9 O -2.8416266 0.3813793 -0.3602627 0.2257478 -1.5151286 0.5879417 -0.1852463 0.5035785 -1.8098101 10 O -2.8416266 0.3813793 0.3602627 0.2257478 -1.5151286 -0.5879417 0.1852463 -0.5035785 -1.8098101 11 O -2.8416266 -0.3813793 -0.3602627 -0.2257478 -1.5151286 -0.5879417 -0.1852463 -0.5035785 -1.8098101 12 O -2.8416266 -0.3813793 0.3602627 -0.2257478 -1.5151286 0.5879417 0.1852463 0.5035785 -1.8098101 13 O -1.1551503 0.0000000 0.0000000 0.0000000 -4.9561314 -1.5457937 0.0000000 -1.6167661 -1.6048420 14 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 -0.6306095 0.0000000 -0.7159291 -4.0859010 15 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 0.6306095 0.0000000 0.7159291 -4.0859010 16 O -1.1551503 0.0000000 0.0000000 0.0000000 -4.9561314 1.5457937 0.0000000 1.6167661 -1.6048420 17 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 0.7576508 0.0000000 0.6829137 -1.4299677 18 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 -0.7576508 0.0000000 -0.6829137 -1.4299677 19 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 0.7576508 0.0000000 0.6829137 -1.4299677 20 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 -0.7576508 0.0000000 -0.6829137 -1.4299677 21 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 -0.6306095 0.0000000 -0.7159291 -4.0859010 22 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 0.6306095 0.0000000 0.7159291 -4.0859010 23 O -2.8416266 -0.3813793 -0.3602627 -0.2257478 -1.5151286 -0.5879417 -0.1852463 -0.5035785 -1.8098101 24 O -2.8416266 0.3813793 -0.3602627 0.2257478 -1.5151286 0.5879417 -0.1852463 0.5035785 -1.8098101 25 O -2.8416266 -0.3813793 0.3602627 -0.2257478 -1.5151286 0.5879417 0.1852463 0.5035785 -1.8098101 26 O -2.8416266 0.3813793 0.3602627 0.2257478 -1.5151286 -0.5879417 0.1852463 -0.5035785 -1.8098101 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 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: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:13:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:13:19]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.291424535000000 -4.324225355000000 0.000000000000000 b 3.291424535000000 4.324225355000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.812197500000002 Atomic positions (fractional): 1 Hf 0.20651428859359 0.79348571140641 0.56097750575182 178.490 2 Hf 0.79348571140641 0.20651428859360 0.43902249424818 178.490 3 Hf 0.29348571140641 0.70651428859359 0.06097750575182 178.490 4 Hf 0.70651428859359 0.29348571140640 0.93902249424818 178.490 5 P 0.10623898142225 0.89376101857775 0.85231890771649 30.974 6 P 0.89376101857775 0.10623898142225 0.14768109228351 30.974 7 P 0.39376101857775 0.60623898142225 0.35231890771649 30.974 8 P 0.60623898142225 0.39376101857775 0.64768109228351 30.974 9 O 0.63103667434436 0.01491200376397 0.08443336377638 15.999 10 O 0.13103667434436 0.51491200376397 0.41556663622362 15.999 11 O 0.51491200376397 0.13103667434436 0.58443336377638 15.999 12 O 0.01491200376397 0.63103667434436 0.91556663622362 15.999 13 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 14 O 0.86158758450413 0.13841241549587 0.27341039073550 15.999 15 O 0.63841241549587 0.36158758450413 0.77341039073550 15.999 16 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 17 O 0.56520248150974 0.43479751849026 0.37702233707499 15.999 18 O 0.93479751849026 0.06520248150974 0.87702233707499 15.999 19 O 0.43479751849026 0.56520248150974 0.62297766292501 15.999 20 O 0.06520248150974 0.93479751849026 0.12297766292501 15.999 21 O 0.13841241549587 0.86158758450413 0.72658960926450 15.999 22 O 0.36158758450413 0.63841241549587 0.22658960926450 15.999 23 O 0.48508799623603 0.86896332565564 0.41556663622362 15.999 24 O 0.36896332565564 0.98508799623603 0.91556663622362 15.999 25 O 0.98508799623603 0.36896332565564 0.08443336377638 15.999 26 O 0.86896332565564 0.48508799623603 0.58443336377638 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.165698140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.648450710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.812197500000002 Atomic positions (fractional): 1 Hf 0.25000000000000 0.29348571140641 0.56097750575182 178.490 > 1 2 Hf 0.75000000000000 0.29348571140641 0.56097750575182 178.490 > 1 3 Hf 0.25000000000000 0.70651428859359 0.43902249424818 178.490 > 3 4 Hf 0.75000000000000 0.70651428859359 0.43902249424818 178.490 > 3 5 Hf 0.25000000000000 0.20651428859359 0.06097750575182 178.490 > 5 6 Hf 0.75000000000000 0.20651428859359 0.06097750575182 178.490 > 5 7 Hf 0.25000000000000 0.79348571140641 0.93902249424818 178.490 > 7 8 Hf 0.75000000000000 0.79348571140641 0.93902249424818 178.490 > 7 9 Hf 0.00000000000000 0.79348571140641 0.56097750575182 178.490 > 1 10 Hf 0.50000000000000 0.79348571140641 0.56097750575182 178.490 > 1 11 Hf 0.00000000000000 0.20651428859359 0.43902249424818 178.490 > 3 12 Hf 0.50000000000000 0.20651428859359 0.43902249424818 178.490 > 3 13 Hf 0.00000000000000 0.70651428859359 0.06097750575182 178.490 > 5 14 Hf 0.50000000000000 0.70651428859359 0.06097750575182 178.490 > 5 15 Hf 0.00000000000000 0.29348571140641 0.93902249424818 178.490 > 7 16 Hf 0.50000000000000 0.29348571140641 0.93902249424818 178.490 > 7 17 P 0.25000000000000 0.39376101857775 0.85231890771649 30.974 > 17 18 P 0.75000000000000 0.39376101857775 0.85231890771649 30.974 > 17 19 P 0.25000000000000 0.60623898142225 0.14768109228351 30.974 > 19 20 P 0.75000000000000 0.60623898142225 0.14768109228351 30.974 > 19 21 P 0.25000000000000 0.10623898142225 0.35231890771649 30.974 > 21 22 P 0.75000000000000 0.10623898142225 0.35231890771649 30.974 > 21 23 P 0.25000000000000 0.89376101857775 0.64768109228351 30.974 > 23 24 P 0.75000000000000 0.89376101857775 0.64768109228351 30.974 > 23 25 P 0.00000000000000 0.89376101857775 0.85231890771649 30.974 > 17 26 P 0.50000000000000 0.89376101857775 0.85231890771649 30.974 > 17 27 P 0.00000000000000 0.10623898142225 0.14768109228351 30.974 > 19 28 P 0.50000000000000 0.10623898142225 0.14768109228351 30.974 > 19 29 P 0.00000000000000 0.60623898142225 0.35231890771649 30.974 > 21 30 P 0.50000000000000 0.60623898142225 0.35231890771649 30.974 > 21 31 P 0.00000000000000 0.39376101857775 0.64768109228351 30.974 > 23 32 P 0.50000000000000 0.39376101857775 0.64768109228351 30.974 > 23 33 O 0.16148716952708 0.69193766470980 0.08443336377638 15.999 > 33 34 O 0.66148716952708 0.69193766470980 0.08443336377638 15.999 > 33 35 O 0.16148716952708 0.19193766470980 0.41556663622362 15.999 > 35 36 O 0.66148716952708 0.19193766470980 0.41556663622362 15.999 > 35 37 O 0.16148716952708 0.80806233529020 0.58443336377638 15.999 > 37 38 O 0.66148716952708 0.80806233529020 0.58443336377638 15.999 > 37 39 O 0.16148716952708 0.30806233529020 0.91556663622362 15.999 > 39 40 O 0.66148716952708 0.30806233529020 0.91556663622362 15.999 > 39 41 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 41 42 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 41 43 O 0.25000000000000 0.63841241549587 0.27341039073550 15.999 > 43 44 O 0.75000000000000 0.63841241549587 0.27341039073550 15.999 > 43 45 O 0.25000000000000 0.86158758450413 0.77341039073550 15.999 > 45 46 O 0.75000000000000 0.86158758450413 0.77341039073550 15.999 > 45 47 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 47 48 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 47 49 O 0.25000000000000 0.93479751849026 0.37702233707499 15.999 > 49 50 O 0.75000000000000 0.93479751849026 0.37702233707499 15.999 > 49 51 O 0.25000000000000 0.56520248150974 0.87702233707499 15.999 > 51 52 O 0.75000000000000 0.56520248150974 0.87702233707499 15.999 > 51 53 O 0.25000000000000 0.06520248150974 0.62297766292501 15.999 > 53 54 O 0.75000000000000 0.06520248150974 0.62297766292501 15.999 > 53 55 O 0.25000000000000 0.43479751849026 0.12297766292501 15.999 > 55 56 O 0.75000000000000 0.43479751849026 0.12297766292501 15.999 > 55 57 O 0.25000000000000 0.36158758450413 0.72658960926450 15.999 > 57 58 O 0.75000000000000 0.36158758450413 0.72658960926450 15.999 > 57 59 O 0.25000000000000 0.13841241549586 0.22658960926450 15.999 > 59 60 O 0.75000000000000 0.13841241549586 0.22658960926450 15.999 > 59 61 O 0.33851283047292 0.19193766470980 0.41556663622362 15.999 > 61 62 O 0.83851283047292 0.19193766470980 0.41556663622362 15.999 > 61 63 O 0.33851283047292 0.30806233529020 0.91556663622362 15.999 > 63 64 O 0.83851283047292 0.30806233529020 0.91556663622362 15.999 > 63 65 O 0.33851283047292 0.69193766470980 0.08443336377638 15.999 > 65 66 O 0.83851283047292 0.69193766470980 0.08443336377638 15.999 > 65 67 O 0.33851283047292 0.80806233529020 0.58443336377638 15.999 > 67 68 O 0.83851283047292 0.80806233529020 0.58443336377638 15.999 > 67 69 O 0.41148716952708 0.19193766470980 0.08443336377638 15.999 > 33 70 O 0.91148716952708 0.19193766470980 0.08443336377638 15.999 > 33 71 O 0.41148716952708 0.69193766470980 0.41556663622362 15.999 > 35 72 O 0.91148716952708 0.69193766470980 0.41556663622362 15.999 > 35 73 O 0.41148716952708 0.30806233529020 0.58443336377638 15.999 > 37 74 O 0.91148716952708 0.30806233529020 0.58443336377638 15.999 > 37 75 O 0.41148716952708 0.80806233529020 0.91556663622362 15.999 > 39 76 O 0.91148716952708 0.80806233529020 0.91556663622362 15.999 > 39 77 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 41 78 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 41 79 O 0.00000000000000 0.13841241549586 0.27341039073550 15.999 > 43 80 O 0.50000000000000 0.13841241549586 0.27341039073550 15.999 > 43 81 O 0.00000000000000 0.36158758450413 0.77341039073550 15.999 > 45 82 O 0.50000000000000 0.36158758450413 0.77341039073550 15.999 > 45 83 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 47 84 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 47 85 O 0.00000000000000 0.43479751849026 0.37702233707499 15.999 > 49 86 O 0.50000000000000 0.43479751849026 0.37702233707499 15.999 > 49 87 O 0.00000000000000 0.06520248150974 0.87702233707499 15.999 > 51 88 O 0.50000000000000 0.06520248150974 0.87702233707499 15.999 > 51 89 O 0.00000000000000 0.56520248150974 0.62297766292501 15.999 > 53 90 O 0.50000000000000 0.56520248150974 0.62297766292501 15.999 > 53 91 O 0.00000000000000 0.93479751849026 0.12297766292501 15.999 > 55 92 O 0.50000000000000 0.93479751849026 0.12297766292501 15.999 > 55 93 O 0.00000000000000 0.86158758450413 0.72658960926450 15.999 > 57 94 O 0.50000000000000 0.86158758450413 0.72658960926450 15.999 > 57 95 O 0.00000000000000 0.63841241549587 0.22658960926450 15.999 > 59 96 O 0.50000000000000 0.63841241549587 0.22658960926450 15.999 > 59 97 O 0.08851283047292 0.69193766470980 0.41556663622362 15.999 > 61 98 O 0.58851283047292 0.69193766470980 0.41556663622362 15.999 > 61 99 O 0.08851283047292 0.80806233529020 0.91556663622362 15.999 > 63 100 O 0.58851283047292 0.80806233529020 0.91556663622362 15.999 > 63 101 O 0.08851283047292 0.19193766470980 0.08443336377638 15.999 > 65 102 O 0.58851283047292 0.19193766470980 0.08443336377638 15.999 > 65 103 O 0.08851283047292 0.30806233529020 0.58443336377638 15.999 > 67 104 O 0.58851283047292 0.30806233529020 0.58443336377638 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1035529 0.0000000 0.0000000 0.0000000 3.6336624 0.0000000 0.0000000 0.0000000 3.4196672 -------------------------- Born effective charges -------------------------- 1 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 -0.2526334 0.0000000 -0.2675249 5.1852360 2 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 -0.2526334 0.0000000 -0.2675249 5.1852360 3 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 0.2526334 0.0000000 0.2675249 5.1852360 4 Hf 4.9130098 0.0000000 0.0000000 0.0000000 6.2448431 0.2526334 0.0000000 0.2675249 5.1852360 5 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 0.0238505 0.0000000 0.0742713 4.7526739 6 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 0.0238505 0.0000000 0.0742713 4.7526739 7 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 -0.0238505 0.0000000 -0.0742713 4.7526739 8 P 3.3564630 0.0000000 0.0000000 0.0000000 4.1861910 -0.0238505 0.0000000 -0.0742713 4.7526739 9 O -2.8416266 0.3813793 -0.3602627 0.2257478 -1.5151286 0.5879417 -0.1852463 0.5035785 -1.8098101 10 O -2.8416266 0.3813793 0.3602627 0.2257478 -1.5151286 -0.5879417 0.1852463 -0.5035785 -1.8098101 11 O -2.8416266 -0.3813793 -0.3602627 -0.2257478 -1.5151286 -0.5879417 -0.1852463 -0.5035785 -1.8098101 12 O -2.8416266 -0.3813793 0.3602627 -0.2257478 -1.5151286 0.5879417 0.1852463 0.5035785 -1.8098101 13 O -1.1551503 0.0000000 0.0000000 0.0000000 -4.9561314 -1.5457937 0.0000000 -1.6167661 -1.6048420 14 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 -0.6306095 0.0000000 -0.7159291 -4.0859010 15 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 0.6306095 0.0000000 0.7159291 -4.0859010 16 O -1.1551503 0.0000000 0.0000000 0.0000000 -4.9561314 1.5457937 0.0000000 1.6167661 -1.6048420 17 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 0.7576508 0.0000000 0.6829137 -1.4299677 18 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 -0.7576508 0.0000000 -0.6829137 -1.4299677 19 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 0.7576508 0.0000000 0.6829137 -1.4299677 20 O -0.9922828 0.0000000 0.0000000 0.0000000 -3.7193887 -0.7576508 0.0000000 -0.6829137 -1.4299677 21 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 -0.6306095 0.0000000 -0.7159291 -4.0859010 22 O -1.0163617 0.0000000 0.0000000 0.0000000 -1.2033227 0.6306095 0.0000000 0.7159291 -4.0859010 23 O -2.8416266 -0.3813793 -0.3602627 -0.2257478 -1.5151286 -0.5879417 -0.1852463 -0.5035785 -1.8098101 24 O -2.8416266 0.3813793 -0.3602627 0.2257478 -1.5151286 0.5879417 -0.1852463 0.5035785 -1.8098101 25 O -2.8416266 -0.3813793 0.3602627 -0.2257478 -1.5151286 0.5879417 0.1852463 0.5035785 -1.8098101 26 O -2.8416266 0.3813793 0.3602627 0.2257478 -1.5151286 -0.5879417 0.1852463 -0.5035785 -1.8098101 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.807 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 7.622 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 8.824 ( 0.000 0.000 0.000) 0.000 9.366 ( 0.000 0.000 0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 9.983 ( 0.000 0.000 0.000) 0.000 10.224 ( 0.000 0.000 0.000) 0.000 10.343 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.634 ( 0.000 0.000 0.000) 0.000 11.124 ( 0.000 0.000 0.000) 0.000 11.298 ( 0.000 0.000 0.000) 0.000 12.021 ( 0.000 0.000 0.000) 0.000 13.310 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 13.513 ( 0.000 0.000 0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 15.185 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 16.005 ( 0.000 0.000 0.000) 0.000 16.058 ( 0.000 0.000 0.000) 0.000 16.308 ( 0.000 0.000 0.000) 0.000 16.498 ( 0.000 0.000 0.000) 0.000 16.542 ( 0.000 0.000 0.000) 0.000 16.846 ( 0.000 0.000 0.000) 0.000 18.921 ( 0.000 0.000 0.000) 0.000 19.022 ( 0.000 0.000 0.000) 0.000 19.230 ( 0.000 0.000 0.000) 0.000 19.320 ( 0.000 0.000 0.000) 0.000 23.794 ( 0.000 0.000 0.000) 0.000 24.868 ( 0.000 0.000 0.000) 0.000 26.537 ( 0.000 0.000 0.000) 0.000 26.615 ( 0.000 0.000 0.000) 0.000 28.260 ( 0.000 0.000 0.000) 0.000 28.341 ( 0.000 0.000 0.000) 0.000 29.329 ( 0.000 0.000 0.000) 0.000 29.638 ( 0.000 0.000 0.000) 0.000 30.417 ( 0.000 0.000 0.000) 0.000 30.648 ( 0.000 0.000 0.000) 0.000 32.406 ( 0.000 0.000 0.000) 0.000 32.418 ( 0.000 0.000 0.000) 0.000 32.452 ( 0.000 0.000 0.000) 0.000 32.783 ( 0.000 0.000 0.000) 0.000 33.154 ( 0.000 0.000 0.000) 0.000 33.176 ( 0.000 0.000 0.000) 0.000 34.577 ( 0.000 0.000 0.000) 0.000 38.029 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 29.285 -10.853 0.000) 31.232 0.839 ( 16.094 -49.716 0.000) 52.256 1.158 ( 64.780 -12.925 0.000) 66.056 1.904 ( 21.939 -7.495 0.000) 23.184 2.031 ( 5.980 -4.908 0.000) 7.737 2.402 ( 13.315 -9.000 0.000) 16.072 2.716 ( 9.936 -3.449 0.000) 10.517 3.783 ( -3.357 1.032 0.000) 3.512 3.810 ( 2.602 -2.085 0.000) 3.334 4.044 ( 6.941 -3.615 0.000) 7.826 4.153 ( -10.156 -8.157 0.000) 13.027 4.643 ( -8.521 9.710 0.000) 12.919 4.712 ( 6.193 0.651 0.000) 6.228 4.913 ( 13.027 2.357 0.000) 13.239 4.996 ( 5.704 0.662 0.000) 5.742 5.179 ( 0.504 17.288 0.000) 17.295 5.180 ( -1.559 -5.209 0.000) 5.438 5.396 ( 2.138 -3.315 0.000) 3.945 5.533 ( 2.090 -11.618 0.000) 11.804 5.607 ( 3.747 -1.057 0.000) 3.894 5.981 ( -0.487 -13.474 0.000) 13.483 6.332 ( -3.121 -4.528 0.000) 5.499 6.455 ( -4.070 -6.981 0.000) 8.081 6.582 ( 19.724 28.871 0.000) 34.966 6.694 ( 3.250 11.123 0.000) 11.588 6.879 ( 8.380 8.478 0.000) 11.921 7.138 ( 1.816 -1.094 0.000) 2.120 7.320 ( 12.624 8.758 0.000) 15.364 7.384 ( 2.871 9.968 0.000) 10.373 7.564 ( 0.085 9.536 0.000) 9.537 7.708 ( 1.589 0.578 0.000) 1.691 7.929 ( 2.643 -3.979 0.000) 4.776 8.837 ( -0.605 -2.201 0.000) 2.283 8.887 ( -27.860 -29.821 0.000) 40.810 9.350 ( -2.413 -0.652 0.000) 2.500 9.544 ( 1.810 -0.042 0.000) 1.810 9.880 ( -8.339 3.736 0.000) 9.138 10.231 ( 0.065 -1.066 0.000) 1.068 10.388 ( 5.414 2.062 0.000) 5.793 10.585 ( -3.317 0.795 0.000) 3.411 10.989 ( 12.825 23.404 0.000) 26.688 11.089 ( -3.154 1.753 0.000) 3.609 11.289 ( 0.249 4.213 0.000) 4.220 11.976 ( -4.652 1.509 0.000) 4.891 13.353 ( 2.289 -4.063 0.000) 4.663 13.511 ( -3.173 -7.449 0.000) 8.096 13.535 ( -0.870 -5.146 0.000) 5.219 13.656 ( 1.806 -0.473 0.000) 1.867 15.405 ( 16.397 18.751 0.000) 24.909 15.916 ( 0.032 0.395 0.000) 0.396 16.000 ( -1.826 -1.611 0.000) 2.435 16.066 ( 0.554 -0.677 0.000) 0.875 16.299 ( 1.734 6.725 0.000) 6.945 16.490 ( 1.620 3.331 0.000) 3.704 16.555 ( -1.769 -4.006 0.000) 4.379 16.818 ( -4.046 -0.477 0.000) 4.074 18.875 ( 2.135 8.773 0.000) 9.030 19.069 ( 2.200 -3.515 0.000) 4.147 19.231 ( -9.500 -0.488 0.000) 9.512 19.648 ( -17.584 -28.698 0.000) 33.657 23.836 ( -3.144 -10.791 0.000) 11.239 25.054 ( -45.765 -35.971 0.000) 58.210 26.710 ( 12.113 -0.171 0.000) 12.115 28.259 ( 22.063 29.185 0.000) 36.586 28.401 ( 7.194 -0.538 0.000) 7.214 28.691 ( 73.733 81.100 0.000) 109.607 29.327 ( -1.281 -1.478 0.000) 1.956 30.046 ( 1.447 13.182 0.000) 13.261 30.416 ( -1.627 -1.621 0.000) 2.297 30.629 ( -4.767 -2.435 0.000) 5.353 32.397 ( 1.138 3.102 0.000) 3.304 32.413 ( 1.023 0.183 0.000) 1.040 32.494 ( 0.675 -4.512 0.000) 4.562 33.056 ( 2.409 8.491 0.000) 8.826 33.382 ( 3.448 -20.928 0.000) 21.211 34.574 (-106.537 -139.647 0.000) 175.646 34.575 ( 2.540 3.794 0.000) 4.566 37.825 ( -17.996 10.280 0.000) 20.725 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 28.649 -12.247 0.000) 31.157 1.617 ( 13.898 -44.453 0.000) 46.575 2.173 ( 7.273 -5.750 0.000) 9.271 2.238 ( 56.614 -12.787 0.000) 58.040 2.434 ( 25.849 -12.442 0.000) 28.688 2.791 ( 19.441 -11.825 0.000) 22.755 2.978 ( 17.230 -4.439 0.000) 17.793 3.685 ( -6.297 1.562 0.000) 6.488 3.847 ( -1.055 1.680 0.000) 1.984 4.094 ( -9.917 -9.520 0.000) 13.747 4.237 ( 8.818 -6.640 0.000) 11.039 4.450 ( 0.484 9.343 0.000) 9.355 4.806 ( 7.871 3.319 0.000) 8.542 4.932 ( -3.852 15.741 0.000) 16.206 5.095 ( 4.349 -0.024 0.000) 4.349 5.121 ( 14.274 -2.115 0.000) 14.430 5.249 ( 1.138 -6.746 0.000) 6.842 5.488 ( 2.360 -7.071 0.000) 7.454 5.674 ( 0.649 -8.018 0.000) 8.044 5.728 ( 9.377 -2.870 0.000) 9.806 6.137 ( 1.841 -9.116 0.000) 9.300 6.301 ( -4.143 -4.159 0.000) 5.870 6.465 ( -11.429 0.347 0.000) 11.435 6.571 ( -0.927 -13.665 0.000) 13.696 6.680 ( 14.891 15.080 0.000) 21.193 6.766 ( 2.469 20.765 0.000) 20.912 7.180 ( 1.998 -0.460 0.000) 2.051 7.298 ( 2.608 11.819 0.000) 12.104 7.430 ( 0.464 12.661 0.000) 12.670 7.541 ( 21.517 3.364 0.000) 21.778 7.720 ( 4.904 5.254 0.000) 7.187 8.041 ( 5.027 -4.978 0.000) 7.075 8.787 ( -14.859 -9.826 0.000) 17.814 8.809 ( -5.723 0.132 0.000) 5.724 9.320 ( -2.274 -0.855 0.000) 2.429 9.582 ( 2.820 0.448 0.000) 2.856 9.702 ( -6.842 5.024 0.000) 8.489 10.241 ( -1.267 -1.375 0.000) 1.870 10.416 ( 2.934 4.843 0.000) 5.662 10.505 ( -5.281 1.116 0.000) 5.398 10.882 ( -0.831 10.159 0.000) 10.193 10.997 ( -5.275 2.496 0.000) 5.836 11.234 ( -0.757 4.008 0.000) 4.079 11.849 ( -8.504 2.901 0.000) 8.985 13.456 ( 3.906 -4.771 0.000) 6.166 13.558 ( -0.132 -4.627 0.000) 4.629 13.603 ( 0.021 -7.215 0.000) 7.215 13.700 ( 2.438 -1.273 0.000) 2.750 15.458 ( 13.085 10.734 0.000) 16.924 15.906 ( -0.393 0.850 0.000) 0.937 15.992 ( -1.205 -1.279 0.000) 1.758 16.089 ( 0.575 -1.599 0.000) 1.699 16.247 ( 2.901 7.794 0.000) 8.316 16.478 ( 3.235 4.737 0.000) 5.736 16.570 ( -2.286 -3.877 0.000) 4.501 16.734 ( -7.923 -0.636 0.000) 7.949 18.807 ( 3.751 10.339 0.000) 10.999 19.092 ( -8.083 0.670 0.000) 8.111 19.154 ( 4.186 -2.671 0.000) 4.966 19.680 ( -7.070 -8.802 0.000) 11.290 23.930 ( -5.179 -15.577 0.000) 16.416 24.741 ( -31.266 -14.216 0.000) 34.346 26.970 ( 21.255 0.179 0.000) 21.256 28.254 ( 18.696 25.344 0.000) 31.494 28.559 ( 10.953 -2.001 0.000) 11.134 28.888 ( 37.471 33.665 0.000) 50.372 29.330 ( -1.257 -2.907 0.000) 3.167 29.894 ( -2.274 10.008 0.000) 10.263 30.397 ( -4.139 -2.180 0.000) 4.678 30.546 ( -10.271 -2.542 0.000) 10.581 32.391 ( 1.633 1.665 0.000) 2.332 32.429 ( 1.445 0.430 0.000) 1.508 32.566 ( 1.479 -4.986 0.000) 5.201 33.014 ( 2.743 6.243 0.000) 6.819 33.734 ( 7.123 -24.962 0.000) 25.959 34.567 ( 5.203 7.797 0.000) 9.374 34.573 ( -49.628 -65.662 0.000) 82.307 37.295 ( -29.341 16.525 0.000) 33.675 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 26.858 -14.481 0.000) 30.513 2.260 ( 10.215 -33.173 0.000) 34.710 2.341 ( 4.883 -6.988 0.000) 8.525 2.951 ( 22.416 -12.709 0.000) 25.768 3.046 ( 18.249 -8.145 0.000) 19.984 3.220 ( 31.672 -3.443 0.000) 31.858 3.290 ( 16.730 -2.675 0.000) 16.942 3.642 ( 2.021 -6.293 0.000) 6.609 3.715 ( -3.400 10.464 0.000) 11.002 4.051 ( -6.987 -3.779 0.000) 7.943 4.443 ( 5.727 -8.718 0.000) 10.431 4.476 ( 3.108 -6.492 0.000) 7.198 4.664 ( -4.004 18.084 0.000) 18.522 4.876 ( 5.993 1.782 0.000) 6.253 5.173 ( 3.361 -2.203 0.000) 4.018 5.334 ( -1.559 -7.676 0.000) 7.833 5.371 ( 12.595 -3.730 0.000) 13.136 5.646 ( 8.056 -6.557 0.000) 10.387 5.728 ( -4.883 -7.268 0.000) 8.756 5.956 ( 13.123 -6.586 0.000) 14.683 6.187 ( 0.516 6.954 0.000) 6.973 6.303 ( -7.911 -1.613 0.000) 8.074 6.333 ( -1.371 -7.126 0.000) 7.256 6.465 ( -0.115 23.249 0.000) 23.249 6.746 ( 6.506 5.102 0.000) 8.268 6.777 ( 1.049 -13.244 0.000) 13.285 7.154 ( 1.000 13.314 0.000) 13.351 7.222 ( 3.229 4.220 0.000) 5.314 7.335 ( -0.042 3.328 0.000) 3.328 7.677 ( 4.621 7.355 0.000) 8.687 7.853 ( 17.668 3.717 0.000) 18.054 8.198 ( 9.212 -3.555 0.000) 9.874 8.658 ( -13.309 -0.883 0.000) 13.338 8.681 ( -6.959 -0.350 0.000) 6.968 9.303 ( -1.558 -1.168 0.000) 1.947 9.513 ( -4.013 6.542 0.000) 7.675 9.682 ( 5.362 -0.829 0.000) 5.426 10.200 ( -5.494 0.038 0.000) 5.494 10.366 ( -0.243 6.709 0.000) 6.714 10.413 ( -5.254 0.930 0.000) 5.336 10.756 ( -3.497 4.397 0.000) 5.618 10.885 ( -5.677 1.977 0.000) 6.012 11.187 ( 0.558 3.067 0.000) 3.118 11.662 ( -10.641 3.640 0.000) 11.246 13.563 ( 4.828 -1.717 0.000) 5.124 13.609 ( -0.861 -5.249 0.000) 5.319 13.691 ( 1.092 -6.183 0.000) 6.278 13.754 ( 1.677 -2.267 0.000) 2.820 15.554 ( 12.881 7.020 0.000) 14.669 15.884 ( -1.234 0.981 0.000) 1.577 16.002 ( 1.772 -0.089 0.000) 1.774 16.115 ( -0.424 -2.540 0.000) 2.575 16.212 ( 2.692 5.483 0.000) 6.109 16.483 ( 4.323 4.367 0.000) 6.145 16.573 ( -2.712 -3.186 0.000) 4.184 16.594 ( -10.990 -0.415 0.000) 10.998 18.761 ( 4.996 8.702 0.000) 10.034 18.975 ( -6.264 0.741 0.000) 6.308 19.255 ( 5.376 -2.175 0.000) 5.799 19.642 ( -5.305 -1.368 0.000) 5.478 24.025 ( -4.868 -13.894 0.000) 14.722 24.472 ( -20.393 -7.715 0.000) 21.804 27.325 ( 25.608 1.241 0.000) 25.638 28.236 ( 8.807 14.404 0.000) 16.884 28.746 ( 6.302 -5.813 0.000) 8.573 29.002 ( 21.963 25.982 0.000) 34.021 29.380 ( 4.121 -3.246 0.000) 5.246 29.798 ( 4.019 6.851 0.000) 7.942 30.331 ( -7.628 -1.771 0.000) 7.831 30.374 ( -15.303 -1.602 0.000) 15.387 32.406 ( 1.540 0.170 0.000) 1.549 32.444 ( 1.246 0.605 0.000) 1.385 32.654 ( 1.962 -5.647 0.000) 5.979 32.982 ( 1.922 5.847 0.000) 6.155 34.144 ( 5.347 -27.348 0.000) 27.866 34.552 ( 8.129 12.244 0.000) 14.697 34.601 ( -23.573 -37.151 0.000) 43.999 36.611 ( -32.539 18.203 0.000) 37.285 ======================= Grid point 4 (5/93) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 22.758 -16.382 0.000) 28.041 2.487 ( 3.940 -7.223 0.000) 8.227 2.624 ( 3.276 -8.662 0.000) 9.261 3.102 ( -8.844 -1.344 0.000) 8.945 3.385 ( -0.444 6.305 0.000) 6.321 3.394 ( 18.030 -8.804 0.000) 20.064 3.514 ( 9.417 -0.954 0.000) 9.465 3.755 ( 6.118 -2.781 0.000) 6.721 3.959 ( 21.708 -3.225 0.000) 21.946 3.965 ( -4.082 1.676 0.000) 4.413 4.377 ( -1.586 13.943 0.000) 14.033 4.567 ( -4.312 -8.153 0.000) 9.223 4.712 ( 3.588 -18.879 0.000) 19.217 4.947 ( 5.087 1.652 0.000) 5.348 5.240 ( 3.746 -0.534 0.000) 3.783 5.373 ( -3.656 -5.789 0.000) 6.846 5.563 ( 9.939 0.954 0.000) 9.985 5.712 ( -7.733 -7.048 0.000) 10.463 5.862 ( 10.583 -4.891 0.000) 11.659 6.044 ( -3.119 8.683 0.000) 9.226 6.139 ( -3.438 17.089 0.000) 17.431 6.228 ( -2.957 4.491 0.000) 5.378 6.257 ( 12.600 -7.260 0.000) 14.542 6.496 ( 3.493 -12.620 0.000) 13.094 6.694 ( -2.389 8.978 0.000) 9.290 6.951 ( 1.931 -12.392 0.000) 12.542 6.980 ( -2.404 14.476 0.000) 14.674 7.218 ( 3.545 9.231 0.000) 9.888 7.366 ( -1.276 -11.654 0.000) 11.723 7.628 ( 3.147 11.234 0.000) 11.666 8.046 ( 11.934 0.839 0.000) 11.963 8.382 ( 10.502 -0.905 0.000) 10.541 8.441 ( -12.631 2.961 0.000) 12.973 8.598 ( -6.129 -1.813 0.000) 6.391 9.302 ( -1.488 -2.784 0.000) 3.157 9.396 ( -1.139 6.533 0.000) 6.631 9.801 ( 7.837 -1.917 0.000) 8.068 10.088 ( -7.641 1.107 0.000) 7.720 10.277 ( -0.413 6.390 0.000) 6.404 10.312 ( -6.735 0.369 0.000) 6.745 10.700 ( 0.170 0.863 0.000) 0.880 10.788 ( -4.679 0.900 0.000) 4.765 11.195 ( 3.818 0.922 0.000) 3.927 11.458 ( -10.430 3.242 0.000) 10.922 13.634 ( 4.844 2.255 0.000) 5.343 13.647 ( -2.321 -5.439 0.000) 5.913 13.768 ( 1.159 -3.662 0.000) 3.841 13.796 ( 0.422 -1.982 0.000) 2.026 15.675 ( 10.711 3.681 0.000) 11.326 15.845 ( -2.841 0.551 0.000) 2.894 16.053 ( 5.743 1.259 0.000) 5.879 16.131 ( -2.209 -3.496 0.000) 4.136 16.203 ( 3.068 3.330 0.000) 4.528 16.415 ( -11.936 -0.099 0.000) 11.936 16.510 ( 4.556 3.576 0.000) 5.792 16.562 ( -3.444 -3.012 0.000) 4.575 18.761 ( 5.704 5.347 0.000) 7.819 18.881 ( -5.622 -0.043 0.000) 5.622 19.364 ( 5.565 -2.019 0.000) 5.920 19.563 ( -4.887 1.254 0.000) 5.045 24.105 ( -1.747 -8.791 0.000) 8.963 24.296 ( -11.166 -2.741 0.000) 11.498 27.692 ( 24.656 2.419 0.000) 24.774 28.170 ( -4.273 4.003 0.000) 5.855 28.856 ( -5.627 -12.659 0.000) 13.853 28.967 ( 12.965 23.522 0.000) 26.858 29.553 ( 14.597 -1.731 0.000) 14.699 29.866 ( 12.288 4.335 0.000) 13.030 30.126 ( -18.725 -0.653 0.000) 18.736 30.206 ( -11.276 -1.526 0.000) 11.379 32.428 ( 0.962 -0.616 0.000) 1.142 32.451 ( 0.626 0.732 0.000) 0.963 32.753 ( 1.846 -6.408 0.000) 6.668 32.931 ( 0.484 6.267 0.000) 6.285 34.427 ( -14.736 -31.113 0.000) 34.427 34.530 ( 11.564 17.446 0.000) 20.930 34.816 ( 11.884 -18.349 0.000) 21.861 35.924 ( -30.092 17.395 0.000) 34.758 ======================= Grid point 5 (6/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 0.732 -9.044 0.000) 9.073 2.608 ( -0.732 9.044 0.000) 9.073 2.789 ( 20.627 -10.914 0.000) 23.337 2.789 ( -20.627 10.914 0.000) 23.337 3.472 ( 2.122 -9.369 0.000) 9.606 3.472 ( -2.122 9.369 0.000) 9.606 3.733 ( -9.210 3.762 0.000) 9.949 3.733 ( 9.210 -3.762 0.000) 9.949 3.984 ( 4.037 -6.315 0.000) 7.495 3.984 ( -4.037 6.315 0.000) 7.495 4.468 ( -18.979 -6.686 0.000) 20.122 4.468 ( 18.979 6.686 0.000) 20.122 4.939 ( -2.913 -13.731 0.000) 14.037 4.939 ( 2.913 13.731 0.000) 14.037 5.324 ( 4.781 -2.623 0.000) 5.453 5.324 ( -4.781 2.623 0.000) 5.453 5.658 ( -9.080 -6.060 0.000) 10.916 5.658 ( 9.080 6.060 0.000) 10.916 5.960 ( -1.055 -1.163 0.000) 1.570 5.960 ( 1.055 1.163 0.000) 1.570 6.091 ( 6.457 -5.730 0.000) 8.633 6.091 ( -6.457 5.730 0.000) 8.633 6.509 ( 7.031 -9.571 0.000) 11.876 6.509 ( -7.031 9.571 0.000) 11.876 6.741 ( 5.711 -15.437 0.000) 16.460 6.741 ( -5.711 15.437 0.000) 16.460 7.113 ( 1.585 -10.371 0.000) 10.491 7.113 ( -1.585 10.371 0.000) 10.491 7.512 ( -0.831 -13.696 0.000) 13.721 7.512 ( 0.831 13.696 0.000) 13.721 8.226 ( -11.487 1.956 0.000) 11.652 8.226 ( 11.487 -1.956 0.000) 11.652 8.518 ( -7.345 -0.965 0.000) 7.409 8.518 ( 7.345 0.965 0.000) 7.409 9.328 ( -0.947 -5.130 0.000) 5.217 9.328 ( 0.947 5.130 0.000) 5.217 9.950 ( -8.217 1.990 0.000) 8.454 9.950 ( 8.217 -1.990 0.000) 8.454 10.240 ( -3.729 -3.253 0.000) 4.949 10.240 ( 3.729 3.253 0.000) 4.949 10.724 ( -2.991 0.104 0.000) 2.993 10.724 ( 2.991 -0.104 0.000) 2.993 11.287 ( -7.804 1.575 0.000) 7.961 11.287 ( 7.804 -1.575 0.000) 7.961 13.660 ( -3.828 -4.618 0.000) 5.999 13.660 ( 3.828 4.618 0.000) 5.999 13.805 ( 0.557 -0.450 0.000) 0.716 13.805 ( -0.557 0.450 0.000) 0.716 15.779 ( -6.185 -0.876 0.000) 6.247 15.779 ( 6.185 0.876 0.000) 6.247 16.120 ( -5.370 -3.717 0.000) 6.531 16.120 ( 5.370 3.717 0.000) 6.531 16.256 ( -8.048 -0.554 0.000) 8.067 16.256 ( 8.048 0.554 0.000) 8.067 16.539 ( -4.263 -3.177 0.000) 5.317 16.539 ( 4.263 3.177 0.000) 5.317 18.806 ( -5.742 -2.088 0.000) 6.110 18.806 ( 5.742 2.088 0.000) 6.110 19.468 ( -5.139 1.883 0.000) 5.473 19.468 ( 5.139 -1.883 0.000) 5.473 24.185 ( 3.767 -2.856 0.000) 4.728 24.185 ( -3.767 2.856 0.000) 4.728 27.993 ( -17.499 -1.799 0.000) 17.591 27.993 ( 17.499 1.799 0.000) 17.591 28.901 ( -11.633 -19.449 0.000) 22.663 28.901 ( 11.633 19.449 0.000) 22.663 29.831 ( -19.105 0.568 0.000) 19.113 29.831 ( 19.105 -0.568 0.000) 19.113 30.035 ( -13.449 -2.244 0.000) 13.635 30.035 ( 13.449 2.244 0.000) 13.635 32.446 ( 0.174 -0.798 0.000) 0.816 32.446 ( -0.174 0.798 0.000) 0.816 32.852 ( 0.959 -6.646 0.000) 6.715 32.852 ( -0.959 6.646 0.000) 6.715 34.498 ( -15.578 -23.920 0.000) 28.545 34.498 ( 15.578 23.920 0.000) 28.545 35.310 ( 24.648 -16.442 0.000) 29.629 35.310 ( -24.648 16.442 0.000) 29.629 ======================= Grid point 12 (7/93) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 26.712 -0.000 0.000) 26.712 0.992 ( 31.453 -0.000 0.000) 31.453 2.097 ( 59.750 -0.000 0.000) 59.750 2.132 ( 10.658 -0.000 0.000) 10.658 2.274 ( 28.572 -0.000 0.000) 28.572 2.661 ( 26.709 -0.000 0.000) 26.709 2.923 ( 19.181 -0.000 0.000) 19.181 3.717 ( -6.290 0.000 0.000) 6.290 3.846 ( 2.274 -0.000 0.000) 2.274 3.942 ( -10.389 0.000 0.000) 10.389 4.165 ( 10.729 -0.000 0.000) 10.729 4.589 ( -3.849 0.000 0.000) 3.849 4.868 ( 13.120 -0.000 0.000) 13.120 5.069 ( 2.946 -0.000 0.000) 2.946 5.110 ( -2.466 0.000 0.000) 2.466 5.169 ( 16.835 -0.000 0.000) 16.835 5.232 ( -8.172 0.000 0.000) 8.172 5.382 ( -1.104 0.000 0.000) 1.104 5.593 ( 11.393 -0.000 0.000) 11.393 5.696 ( 8.600 -0.000 0.000) 8.600 5.863 ( -1.945 0.000 0.000) 1.945 6.305 ( 0.277 -0.000 0.000) 0.277 6.326 ( -4.385 0.000 0.000) 4.385 6.488 ( -11.666 0.000 0.000) 11.666 7.049 ( 5.298 -0.000 0.000) 5.298 7.092 ( 1.926 -0.000 0.000) 1.926 7.168 ( 3.475 -0.000 0.000) 3.475 7.513 ( 0.380 -0.000 0.000) 0.380 7.595 ( -1.922 0.000 0.000) 1.922 7.643 ( 22.154 -0.000 0.000) 22.154 7.729 ( 2.260 -0.000 0.000) 2.260 7.969 ( 5.397 -0.000 0.000) 5.397 8.402 ( -6.564 0.000 0.000) 6.564 8.849 ( -0.384 0.000 0.000) 0.384 9.313 ( -3.231 0.000 0.000) 3.231 9.585 ( 3.598 -0.000 0.000) 3.598 9.758 ( -9.191 0.000 0.000) 9.191 10.215 ( -0.788 0.000 0.000) 0.788 10.474 ( 3.332 -0.000 0.000) 3.332 10.514 ( -5.890 0.000 0.000) 5.890 11.024 ( -12.203 0.000 0.000) 12.203 11.025 ( -6.334 0.000 0.000) 6.334 11.337 ( -2.523 0.000 0.000) 2.523 11.883 ( -8.637 0.000 0.000) 8.637 13.380 ( 4.449 -0.000 0.000) 4.449 13.462 ( 3.631 -0.000 0.000) 3.631 13.514 ( -0.417 0.000 0.000) 0.417 13.693 ( 3.106 -0.000 0.000) 3.106 15.718 ( 8.318 -0.000 0.000) 8.318 15.905 ( -4.509 0.000 0.000) 4.509 15.918 ( -0.249 0.000 0.000) 0.249 16.069 ( 0.245 -0.000 0.000) 0.245 16.370 ( 2.481 -0.000 0.000) 2.481 16.544 ( 2.888 -0.000 0.000) 2.888 16.578 ( 2.387 -0.000 0.000) 2.387 16.727 ( -7.490 0.000 0.000) 7.490 18.991 ( 4.443 -0.000 0.000) 4.443 19.082 ( 3.745 -0.000 0.000) 3.745 19.174 ( -2.981 0.000 0.000) 2.981 19.359 ( 2.105 -0.000 0.000) 2.105 23.710 ( -4.659 0.000 0.000) 4.659 24.444 ( -21.063 0.000 0.000) 21.063 26.972 ( 21.826 -0.000 0.000) 21.826 28.487 ( 5.311 -0.000 0.000) 5.311 28.535 ( 9.730 -0.000 0.000) 9.730 29.297 ( -1.019 0.000 0.000) 1.019 29.687 ( 5.986 -0.000 0.000) 5.986 30.355 ( -8.475 0.000 0.000) 8.475 30.365 ( -3.961 0.000 0.000) 3.961 30.543 ( -8.960 0.000 0.000) 8.960 32.456 ( 0.209 -0.000 0.000) 0.209 32.468 ( 3.105 -0.000 0.000) 3.105 32.495 ( 5.312 -0.000 0.000) 5.312 32.786 ( 0.103 -0.000 0.000) 0.103 33.180 ( 1.898 -0.000 0.000) 1.898 33.415 ( 15.765 -0.000 0.000) 15.765 34.659 ( 5.642 -0.000 0.000) 5.642 37.497 ( -31.632 0.000 0.000) 31.632 ======================= Grid point 13 (8/93) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 20.985 -29.274 0.000) 36.018 1.485 ( 28.717 -5.479 0.000) 29.234 2.306 ( 12.238 1.889 0.000) 12.382 2.719 ( 24.834 -5.977 0.000) 25.543 2.851 ( 32.133 -5.381 0.000) 32.580 3.193 ( 41.254 -0.150 0.000) 41.254 3.252 ( 20.773 -1.027 0.000) 20.799 3.607 ( -5.107 1.098 0.000) 5.224 3.842 ( -2.609 1.286 0.000) 2.909 3.863 ( -5.432 -8.065 0.000) 9.723 4.331 ( 8.599 -1.517 0.000) 8.732 4.537 ( 0.939 5.982 0.000) 6.056 4.989 ( 5.040 7.528 0.000) 9.059 5.021 ( -4.216 9.577 0.000) 10.464 5.150 ( 1.498 -1.112 0.000) 1.865 5.174 ( 5.885 -7.105 0.000) 9.226 5.325 ( 4.895 1.620 0.000) 5.156 5.479 ( 10.665 -7.158 0.000) 12.845 5.619 ( -2.967 3.076 0.000) 4.273 5.861 ( 11.414 -2.036 0.000) 11.594 5.983 ( -1.962 -17.956 0.000) 18.063 6.253 ( -0.060 1.304 0.000) 1.306 6.344 ( -4.257 2.909 0.000) 5.156 6.406 ( -0.274 -11.458 0.000) 11.461 7.018 ( 3.223 14.268 0.000) 14.627 7.018 ( 2.285 14.224 0.000) 14.407 7.202 ( 0.365 -0.285 0.000) 0.464 7.455 ( 1.675 8.619 0.000) 8.780 7.531 ( -2.031 6.175 0.000) 6.500 7.766 ( 4.416 1.001 0.000) 4.528 7.967 ( 18.872 4.556 0.000) 19.414 8.099 ( 10.407 -4.363 0.000) 11.285 8.389 ( -10.460 -13.583 0.000) 17.144 8.792 ( -5.037 3.582 0.000) 6.181 9.267 ( -3.514 -1.563 0.000) 3.846 9.616 ( -4.707 2.612 0.000) 5.383 9.662 ( 3.272 -1.007 0.000) 3.424 10.191 ( -3.714 -0.504 0.000) 3.748 10.426 ( -4.844 0.256 0.000) 4.851 10.479 ( -0.439 2.668 0.000) 2.704 10.805 ( -14.181 0.453 0.000) 14.188 10.907 ( -8.522 0.273 0.000) 8.527 11.278 ( -1.135 3.453 0.000) 3.635 11.721 ( -11.374 1.321 0.000) 11.450 13.479 ( 5.613 -3.137 0.000) 6.430 13.512 ( -1.328 -2.429 0.000) 2.768 13.553 ( 3.511 -4.346 0.000) 5.587 13.742 ( 3.268 0.264 0.000) 3.278 15.753 ( 6.820 9.188 0.000) 11.442 15.903 ( -1.517 0.533 0.000) 1.607 15.939 ( 2.369 -5.945 0.000) 6.400 16.072 ( -0.738 -1.056 0.000) 1.288 16.366 ( 1.686 5.537 0.000) 5.788 16.578 ( 2.515 2.676 0.000) 3.673 16.594 ( 3.345 3.954 0.000) 5.180 16.595 ( -8.348 0.175 0.000) 8.350 18.998 ( 5.687 9.652 0.000) 11.203 19.066 ( -2.432 7.179 0.000) 7.580 19.187 ( 5.074 -4.039 0.000) 6.485 19.482 ( -1.497 -11.452 0.000) 11.549 23.700 ( -4.496 -10.060 0.000) 11.018 24.204 ( -19.674 -10.577 0.000) 22.337 27.348 ( 27.107 0.603 0.000) 27.114 28.444 ( -6.269 4.364 0.000) 7.639 28.647 ( 1.629 -2.310 0.000) 2.827 29.331 ( 6.235 -0.983 0.000) 6.312 29.732 ( 16.617 19.334 0.000) 25.494 30.064 ( -1.934 21.595 0.000) 21.681 30.288 ( -7.438 -1.348 0.000) 7.559 30.334 ( -15.054 -0.095 0.000) 15.054 32.440 ( 0.998 2.317 0.000) 2.523 32.495 ( 4.137 5.680 0.000) 7.027 32.547 ( 2.887 -3.555 0.000) 4.579 33.074 ( -5.248 -13.779 0.000) 14.745 33.274 ( -1.281 -28.986 0.000) 29.014 33.834 ( 18.258 -20.196 0.000) 27.226 34.746 ( 9.201 4.313 0.000) 10.162 36.920 ( -36.753 7.329 0.000) 37.477 ======================= Grid point 14 (9/93) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 23.971 -9.047 0.000) 25.621 2.062 ( 15.476 -31.810 0.000) 35.375 2.445 ( 10.873 3.401 0.000) 11.393 3.110 ( -1.969 1.563 0.000) 2.514 3.165 ( 22.105 -9.248 0.000) 23.962 3.512 ( 12.447 0.159 0.000) 12.448 3.615 ( 11.384 2.104 0.000) 11.577 3.694 ( 2.699 3.074 0.000) 4.091 3.876 ( 25.667 -2.116 0.000) 25.754 3.949 ( 2.455 -6.969 0.000) 7.388 4.417 ( -1.130 -1.893 0.000) 2.204 4.465 ( -1.612 5.117 0.000) 5.365 4.833 ( -0.590 14.294 0.000) 14.307 4.968 ( 1.811 2.227 0.000) 2.870 5.217 ( -3.610 -3.335 0.000) 4.914 5.228 ( 6.005 -0.956 0.000) 6.081 5.515 ( 12.735 -3.848 0.000) 13.304 5.531 ( -9.550 -6.026 0.000) 11.292 5.732 ( 11.319 -6.147 0.000) 12.880 6.082 ( 11.578 -5.209 0.000) 12.696 6.090 ( -7.413 -12.569 0.000) 14.592 6.278 ( 0.484 6.022 0.000) 6.042 6.294 ( 4.522 -3.004 0.000) 5.428 6.530 ( -1.599 -8.083 0.000) 8.240 6.841 ( 2.287 17.761 0.000) 17.907 6.891 ( -0.829 11.214 0.000) 11.245 7.186 ( -4.082 -1.649 0.000) 4.402 7.373 ( 2.054 11.333 0.000) 11.517 7.424 ( 1.060 8.773 0.000) 8.837 7.812 ( 4.280 3.299 0.000) 5.404 8.111 ( 10.166 4.606 0.000) 11.161 8.350 ( 13.897 -1.883 0.000) 14.024 8.354 ( -12.163 -9.330 0.000) 15.330 8.636 ( -7.337 4.711 0.000) 8.719 9.241 ( -3.672 -2.887 0.000) 4.671 9.512 ( -3.500 3.241 0.000) 4.771 9.760 ( 6.859 -1.468 0.000) 7.015 10.104 ( -7.213 0.355 0.000) 7.222 10.343 ( -5.996 2.322 0.000) 6.430 10.412 ( -2.211 4.667 0.000) 5.165 10.642 ( -8.862 -5.136 0.000) 10.243 10.776 ( -9.010 -1.337 0.000) 9.109 11.241 ( 1.400 2.653 0.000) 3.000 11.520 ( -12.110 1.914 0.000) 12.261 13.522 ( -2.879 -4.774 0.000) 5.575 13.606 ( 5.526 -3.513 0.000) 6.548 13.659 ( 3.187 -4.702 0.000) 5.680 13.781 ( 2.437 0.702 0.000) 2.536 15.762 ( 4.123 3.405 0.000) 5.347 15.855 ( -4.156 0.404 0.000) 4.176 16.066 ( 8.295 -1.184 0.000) 8.379 16.068 ( -2.051 -1.852 0.000) 2.763 16.320 ( 2.074 6.314 0.000) 6.646 16.431 ( -10.064 1.067 0.000) 10.121 16.589 ( 2.849 5.139 0.000) 5.876 16.610 ( 5.052 3.912 0.000) 6.389 18.953 ( -2.410 6.106 0.000) 6.565 18.968 ( 6.570 11.183 0.000) 12.970 19.307 ( 5.282 -2.990 0.000) 6.069 19.532 ( -3.802 -4.567 0.000) 5.943 23.794 ( -2.598 -14.995 0.000) 15.218 24.087 ( -13.572 -12.690 0.000) 18.580 27.750 ( 26.812 2.287 0.000) 26.909 28.243 ( -14.087 2.507 0.000) 14.308 28.621 ( -11.448 -7.286 0.000) 13.570 29.520 ( 16.053 -1.035 0.000) 16.087 29.633 ( 9.039 30.534 0.000) 31.844 29.976 ( 8.579 4.711 0.000) 9.788 30.090 ( -18.445 -2.014 0.000) 18.555 30.164 ( -11.502 -1.852 0.000) 11.650 32.434 ( 0.799 1.051 0.000) 1.320 32.493 ( 2.605 3.706 0.000) 4.529 32.633 ( 2.602 -3.997 0.000) 4.769 33.061 ( -0.750 3.002 0.000) 3.094 33.610 ( -7.248 -35.662 0.000) 36.391 34.362 ( 20.891 -19.088 0.000) 28.298 34.839 ( 13.123 9.012 0.000) 15.920 36.263 ( -34.399 11.006 0.000) 36.117 ======================= Grid point 15 (10/93) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 10.623 -8.419 0.000) 13.555 2.563 ( 9.415 -17.945 0.000) 20.265 2.630 ( 17.647 -2.455 0.000) 17.817 2.936 ( -13.541 2.427 0.000) 13.757 3.483 ( -3.139 11.205 0.000) 11.636 3.568 ( 14.686 -5.959 0.000) 15.849 3.661 ( 11.181 0.757 0.000) 11.206 3.810 ( 2.818 3.084 0.000) 4.178 3.999 ( 2.358 5.046 0.000) 5.569 4.163 ( 5.645 5.806 0.000) 8.098 4.319 ( -17.742 -5.295 0.000) 18.515 4.464 ( 4.343 -8.355 0.000) 9.416 4.734 ( 7.181 9.528 0.000) 11.931 5.002 ( 2.606 -1.344 0.000) 2.932 5.253 ( -0.699 -9.451 0.000) 9.477 5.336 ( 8.210 1.358 0.000) 8.322 5.476 ( -9.782 -8.880 0.000) 13.212 5.700 ( 9.098 0.668 0.000) 9.122 5.941 ( 6.517 -5.178 0.000) 8.324 6.078 ( -2.606 0.206 0.000) 2.614 6.174 ( -7.166 3.316 0.000) 7.896 6.278 ( 5.170 -0.742 0.000) 5.223 6.381 ( -2.956 15.745 0.000) 16.020 6.488 ( 10.547 -7.268 0.000) 12.809 6.717 ( -6.961 9.088 0.000) 11.448 6.849 ( 3.093 -8.250 0.000) 8.811 7.094 ( -7.761 3.413 0.000) 8.479 7.253 ( -0.643 10.293 0.000) 10.313 7.392 ( 5.237 5.098 0.000) 7.309 7.801 ( 3.020 8.858 0.000) 9.359 8.211 ( 8.676 1.890 0.000) 8.880 8.222 ( -14.215 -3.342 0.000) 14.603 8.503 ( -6.389 0.611 0.000) 6.418 8.527 ( 8.075 -0.153 0.000) 8.076 9.222 ( -3.734 -3.989 0.000) 5.464 9.435 ( -1.541 3.591 0.000) 3.908 9.898 ( 8.190 -2.282 0.000) 8.502 9.985 ( -7.425 1.002 0.000) 7.492 10.201 ( -8.315 0.202 0.000) 8.317 10.333 ( -0.321 4.316 0.000) 4.328 10.646 ( -1.296 -6.476 0.000) 6.604 10.674 ( -8.124 -3.645 0.000) 8.904 11.271 ( 4.894 0.243 0.000) 4.900 11.326 ( -10.326 1.399 0.000) 10.420 13.532 ( -4.033 -5.904 0.000) 7.150 13.713 ( 4.588 -0.998 0.000) 4.695 13.750 ( 2.150 -3.768 0.000) 4.338 13.799 ( 1.064 0.641 0.000) 1.242 15.760 ( -8.648 -0.576 0.000) 8.667 15.793 ( 2.603 0.349 0.000) 2.626 16.054 ( -2.601 -1.999 0.000) 3.280 16.191 ( 6.443 1.544 0.000) 6.626 16.277 ( -7.434 1.942 0.000) 7.683 16.312 ( 6.243 3.591 0.000) 7.202 16.562 ( 2.127 5.940 0.000) 6.309 16.644 ( 5.823 4.611 0.000) 7.427 18.846 ( -3.235 5.101 0.000) 6.041 18.949 ( 7.138 9.788 0.000) 12.114 19.415 ( 4.623 -2.577 0.000) 5.293 19.490 ( -5.047 -0.377 0.000) 5.061 23.958 ( 1.183 -15.013 0.000) 15.060 24.075 ( -6.691 -11.171 0.000) 13.021 27.970 ( -19.983 -0.264 0.000) 19.985 28.053 ( 14.229 3.375 0.000) 14.624 28.533 ( -11.811 -12.525 0.000) 17.215 29.407 ( 2.459 22.706 0.000) 22.839 29.805 ( 18.414 -1.288 0.000) 18.459 29.822 ( -17.538 -0.967 0.000) 17.565 29.987 ( -13.883 -2.025 0.000) 14.030 30.099 ( 11.448 3.200 0.000) 11.886 32.437 ( 0.297 0.010 0.000) 0.297 32.485 ( 1.414 3.045 0.000) 3.357 32.717 ( 1.790 -4.737 0.000) 5.064 33.001 ( -0.788 5.283 0.000) 5.342 33.869 ( -7.285 -28.584 0.000) 29.498 34.913 ( 24.200 -17.225 0.000) 29.704 34.938 ( 17.387 13.932 0.000) 22.281 35.650 ( -27.870 12.412 0.000) 30.509 ======================= Grid point 16 (11/93) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 3.612 -7.558 0.000) 8.377 2.558 ( -17.627 7.416 0.000) 19.123 2.777 ( 1.572 9.820 0.000) 9.945 2.988 ( 18.114 -7.131 0.000) 19.467 3.399 ( -4.363 -2.686 0.000) 5.124 3.575 ( -3.043 12.505 0.000) 12.870 3.668 ( -8.474 9.226 0.000) 12.527 3.837 ( 3.542 4.247 0.000) 5.531 3.976 ( -18.869 -1.019 0.000) 18.896 4.058 ( 0.250 9.768 0.000) 9.771 4.095 ( 2.779 -7.671 0.000) 8.158 4.679 ( 2.199 -12.508 0.000) 12.700 4.761 ( 2.327 2.232 0.000) 3.224 5.051 ( 1.531 0.488 0.000) 1.607 5.336 ( -0.272 0.863 0.000) 0.905 5.400 ( -7.317 -4.806 0.000) 8.754 5.457 ( 5.712 0.835 0.000) 5.772 5.776 ( 2.869 2.693 0.000) 3.935 5.972 ( -8.862 5.548 0.000) 10.456 6.001 ( -1.130 3.572 0.000) 3.746 6.059 ( -0.611 2.177 0.000) 2.261 6.109 ( 1.808 4.558 0.000) 4.904 6.450 ( 2.018 -9.012 0.000) 9.235 6.473 ( -10.375 9.718 0.000) 14.215 6.755 ( 10.471 -7.340 0.000) 12.787 6.875 ( -6.275 14.227 0.000) 15.550 6.990 ( 0.081 -9.817 0.000) 9.818 7.127 ( -4.055 5.029 0.000) 6.460 7.444 ( 3.622 -0.992 0.000) 3.756 7.690 ( -0.292 13.643 0.000) 13.646 8.031 ( -14.421 -1.643 0.000) 14.514 8.351 ( 9.313 -2.844 0.000) 9.737 8.395 ( -7.775 0.320 0.000) 7.781 8.620 ( 5.017 -0.081 0.000) 5.018 9.234 ( -2.391 -6.784 0.000) 7.193 9.375 ( -1.361 3.102 0.000) 3.387 9.846 ( -8.427 1.914 0.000) 8.642 10.050 ( 8.134 -2.120 0.000) 8.406 10.142 ( -2.911 -4.874 0.000) 5.677 10.323 ( 3.103 1.120 0.000) 3.299 10.616 ( -6.268 -5.458 0.000) 8.311 10.718 ( 1.389 -5.248 0.000) 5.429 11.189 ( -6.354 -0.078 0.000) 6.355 11.385 ( 7.960 -2.722 0.000) 8.413 13.533 ( -4.750 -5.753 0.000) 7.460 13.754 ( 2.424 3.351 0.000) 4.136 13.806 ( 1.004 -1.669 0.000) 1.947 13.807 ( 0.560 0.059 0.000) 0.563 15.610 ( -12.429 -1.806 0.000) 12.560 15.829 ( 1.630 -0.774 0.000) 1.805 16.037 ( -1.770 -0.669 0.000) 1.892 16.169 ( -4.489 0.851 0.000) 4.569 16.208 ( 0.932 2.784 0.000) 2.936 16.422 ( 6.562 -0.523 0.000) 6.583 16.532 ( 5.679 6.964 0.000) 8.986 16.678 ( 6.179 5.506 0.000) 8.277 18.740 ( -4.127 3.276 0.000) 5.269 18.963 ( 7.579 7.063 0.000) 10.360 19.401 ( -5.784 1.120 0.000) 5.892 19.509 ( 3.887 -2.797 0.000) 4.789 24.127 ( -0.643 -6.863 0.000) 6.893 24.177 ( 6.873 -12.371 0.000) 14.152 27.647 ( -23.580 -1.396 0.000) 23.621 28.042 ( -15.298 -6.715 0.000) 16.707 28.609 ( 2.909 -7.949 0.000) 8.465 29.169 ( -7.351 12.828 0.000) 14.785 29.604 ( -8.534 3.372 0.000) 9.176 29.786 ( -13.284 -2.591 0.000) 13.534 30.113 ( 17.659 -1.621 0.000) 17.733 30.236 ( 9.595 1.278 0.000) 9.679 32.440 ( -0.265 -0.392 0.000) 0.473 32.465 ( 0.442 2.767 0.000) 2.802 32.794 ( 0.593 -5.287 0.000) 5.320 32.915 ( -1.146 6.880 0.000) 6.975 34.058 ( -6.204 -22.250 0.000) 23.099 35.009 ( 8.470 19.424 0.000) 21.191 35.176 ( -6.246 12.661 0.000) 14.118 35.502 ( 26.518 -18.228 0.000) 32.179 ======================= Grid point 17 (12/93) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -23.421 15.620 0.000) 28.151 2.632 ( -2.647 -0.895 0.000) 2.794 2.642 ( 2.609 17.640 0.000) 17.832 3.133 ( -17.890 0.961 0.000) 17.916 3.193 ( -20.536 5.622 0.000) 21.291 3.416 ( 4.998 2.545 0.000) 5.609 3.429 ( -9.025 10.123 0.000) 13.561 3.527 ( -15.053 8.229 0.000) 17.156 3.826 ( -3.230 5.248 0.000) 6.163 4.078 ( 9.742 0.948 0.000) 9.788 4.335 ( 8.551 -8.544 0.000) 12.088 4.647 ( -5.315 7.920 0.000) 9.538 4.812 ( -4.484 -7.731 0.000) 8.937 4.900 ( -6.093 22.947 0.000) 23.743 5.235 ( -0.539 4.596 0.000) 4.627 5.321 ( -12.959 -9.196 0.000) 15.891 5.515 ( 5.142 7.158 0.000) 8.813 5.773 ( -7.363 4.488 0.000) 8.623 5.796 ( -0.280 -3.362 0.000) 3.374 6.033 ( 1.434 -5.007 0.000) 5.208 6.054 ( -1.698 -2.707 0.000) 3.196 6.186 ( 5.924 -6.008 0.000) 8.438 6.190 ( -8.586 11.873 0.000) 14.652 6.569 ( -1.485 -9.769 0.000) 9.881 6.628 ( -2.331 14.910 0.000) 15.092 6.923 ( 0.790 -5.780 0.000) 5.834 7.020 ( -2.509 4.940 0.000) 5.540 7.078 ( 0.463 -6.201 0.000) 6.218 7.500 ( -3.629 12.792 0.000) 13.297 7.502 ( -0.085 -4.138 0.000) 4.139 7.810 ( -17.436 -0.974 0.000) 17.463 8.262 ( -7.274 2.100 0.000) 7.571 8.542 ( 8.480 -5.086 0.000) 9.889 8.714 ( 7.185 -1.610 0.000) 7.363 9.316 ( 0.460 -9.990 0.000) 10.000 9.331 ( -0.635 1.310 0.000) 1.456 9.706 ( -6.954 1.365 0.000) 7.087 10.185 ( 6.478 -1.302 0.000) 6.608 10.196 ( -0.446 -7.396 0.000) 7.409 10.376 ( 1.799 -2.580 0.000) 3.145 10.618 ( -2.298 -6.432 0.000) 6.830 10.807 ( 2.790 -4.732 0.000) 5.494 11.138 ( -1.884 -1.794 0.000) 2.602 11.562 ( 9.090 -4.746 0.000) 10.254 13.520 ( -4.821 -4.501 0.000) 6.595 13.727 ( 0.563 4.533 0.000) 4.567 13.799 ( 0.273 2.841 0.000) 2.854 13.817 ( 0.074 1.312 0.000) 1.314 15.443 ( -12.534 -2.829 0.000) 12.849 15.860 ( 1.106 -1.025 0.000) 1.508 16.011 ( -1.038 1.251 0.000) 1.626 16.122 ( -3.057 -2.186 0.000) 3.758 16.178 ( -0.627 2.570 0.000) 2.645 16.433 ( -2.223 0.515 0.000) 2.282 16.633 ( 12.113 3.434 0.000) 12.591 16.703 ( 6.246 6.536 0.000) 9.041 18.655 ( -4.175 -0.037 0.000) 4.175 19.017 ( 8.416 4.448 0.000) 9.519 19.296 ( -5.751 1.450 0.000) 5.931 19.603 ( 3.849 -3.367 0.000) 5.114 24.198 ( 3.762 -0.455 0.000) 3.789 24.460 ( 14.573 -8.924 0.000) 17.088 27.297 ( -23.817 -1.044 0.000) 23.840 27.836 ( -28.315 -16.592 0.000) 32.818 28.687 ( -4.572 -5.000 0.000) 6.775 28.890 ( -14.400 5.938 0.000) 15.577 29.484 ( -0.761 5.846 0.000) 5.895 29.674 ( -5.176 -3.924 0.000) 6.495 30.353 ( 6.790 0.172 0.000) 6.792 30.378 ( 14.649 -1.343 0.000) 14.711 32.435 ( -0.317 2.622 0.000) 2.641 32.437 ( -0.707 -0.288 0.000) 0.764 32.811 ( -1.277 7.693 0.000) 7.799 32.855 ( -0.608 -5.170 0.000) 5.205 34.201 ( -4.941 -17.347 0.000) 18.037 34.659 ( -12.389 18.054 0.000) 21.896 35.257 ( 28.039 19.985 0.000) 34.432 36.140 ( 27.185 -21.265 0.000) 34.514 ======================= Grid point 18 (13/93) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -23.520 19.833 0.000) 30.766 2.221 ( -42.034 10.566 0.000) 43.342 2.456 ( -0.095 18.167 0.000) 18.168 2.741 ( -24.074 11.363 0.000) 26.621 2.774 ( -13.235 19.829 0.000) 23.840 3.148 ( -10.649 11.224 0.000) 15.472 3.150 ( -5.563 17.915 0.000) 18.759 3.659 ( 4.833 -6.569 0.000) 8.155 3.728 ( 3.947 2.284 0.000) 4.560 4.237 ( 11.624 3.031 0.000) 12.012 4.374 ( -13.947 1.757 0.000) 14.058 4.434 ( -8.312 8.108 0.000) 11.612 4.683 ( 7.852 2.460 0.000) 8.228 4.772 ( -5.372 -0.361 0.000) 5.384 5.181 ( -14.751 -1.537 0.000) 14.831 5.189 ( -0.018 5.668 0.000) 5.668 5.439 ( -0.044 9.144 0.000) 9.144 5.663 ( -0.734 7.060 0.000) 7.098 5.790 ( -3.242 -0.075 0.000) 3.243 5.852 ( -11.804 8.217 0.000) 14.383 6.117 ( 1.056 -6.249 0.000) 6.337 6.206 ( -0.347 -16.272 0.000) 16.276 6.402 ( 11.489 -5.952 0.000) 12.939 6.490 ( 4.527 11.010 0.000) 11.904 6.573 ( -9.843 -3.223 0.000) 10.357 6.920 ( -0.129 10.059 0.000) 10.060 6.983 ( -2.290 -11.365 0.000) 11.593 7.149 ( 1.014 -3.252 0.000) 3.406 7.315 ( -5.821 5.474 0.000) 7.991 7.508 ( -18.595 -0.014 0.000) 18.595 7.549 ( -5.354 -6.470 0.000) 8.398 8.140 ( -4.351 3.485 0.000) 5.575 8.697 ( 4.951 -4.295 0.000) 6.555 8.884 ( 9.950 -3.498 0.000) 10.547 9.339 ( 3.187 0.197 0.000) 3.193 9.474 ( 3.589 -11.198 0.000) 11.759 9.611 ( -4.194 -0.133 0.000) 4.196 10.250 ( -0.265 -0.958 0.000) 0.994 10.269 ( -1.776 -7.266 0.000) 7.480 10.438 ( 1.064 -5.061 0.000) 5.171 10.681 ( -0.232 -6.130 0.000) 6.135 10.910 ( 3.310 -4.881 0.000) 5.898 11.163 ( 1.130 -2.930 0.000) 3.141 11.753 ( 7.861 -5.260 0.000) 9.458 13.491 ( -3.998 -2.195 0.000) 4.561 13.674 ( 0.014 5.039 0.000) 5.039 13.751 ( -0.136 5.231 0.000) 5.233 13.780 ( -0.610 4.206 0.000) 4.250 15.307 ( -10.090 -3.508 0.000) 10.683 15.885 ( 0.762 -0.884 0.000) 1.167 15.992 ( 0.025 0.079 0.000) 0.083 16.112 ( -3.048 -3.534 0.000) 4.667 16.134 ( -1.412 2.110 0.000) 2.539 16.395 ( -2.487 -0.962 0.000) 2.667 16.715 ( 5.924 7.270 0.000) 9.378 16.763 ( 8.727 2.085 0.000) 8.972 18.623 ( -3.209 -4.282 0.000) 5.351 19.115 ( 9.597 2.465 0.000) 9.908 19.199 ( -4.576 1.472 0.000) 4.806 19.707 ( 4.681 -3.545 0.000) 5.872 24.233 ( 5.398 7.287 0.000) 9.069 24.841 ( 25.073 -5.926 0.000) 25.764 26.966 ( -19.949 -0.128 0.000) 19.949 27.571 ( -38.374 -24.395 0.000) 45.472 28.582 ( -14.536 -3.766 0.000) 15.016 28.619 ( -13.679 2.991 0.000) 14.002 29.427 ( 1.290 5.297 0.000) 5.452 29.720 ( 2.739 -5.696 0.000) 6.320 30.433 ( 4.001 0.458 0.000) 4.027 30.579 ( 10.346 -0.214 0.000) 10.349 32.398 ( -0.796 2.193 0.000) 2.333 32.426 ( -0.861 -0.033 0.000) 0.862 32.705 ( -1.076 7.290 0.000) 7.369 32.895 ( -1.338 -4.543 0.000) 4.736 34.279 ( -7.939 21.088 0.000) 22.533 34.314 ( -3.599 -13.508 0.000) 13.980 35.507 ( 37.424 22.156 0.000) 43.490 36.802 ( 24.308 -24.345 0.000) 34.403 ======================= Grid point 19 (14/93) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -19.063 21.282 0.000) 28.572 1.333 ( -53.218 12.020 0.000) 54.559 2.183 ( -13.218 15.557 0.000) 20.415 2.214 ( -5.342 50.416 0.000) 50.698 2.293 ( -7.938 16.251 0.000) 18.086 2.794 ( -8.210 22.899 0.000) 24.326 2.878 ( -7.285 10.753 0.000) 12.988 3.756 ( 5.702 -1.352 0.000) 5.860 3.856 ( 2.033 -0.973 0.000) 2.254 4.189 ( -5.721 8.112 0.000) 9.926 4.236 ( -7.474 -17.214 0.000) 18.766 4.393 ( 11.970 8.090 0.000) 14.448 4.695 ( -4.421 -0.003 0.000) 4.421 4.839 ( 4.162 -8.662 0.000) 9.610 4.930 ( -14.121 4.234 0.000) 14.742 5.089 ( -2.187 8.102 0.000) 8.392 5.346 ( 1.583 8.691 0.000) 8.834 5.532 ( -4.111 8.253 0.000) 9.220 5.662 ( -3.694 4.022 0.000) 5.461 5.723 ( -2.533 3.086 0.000) 3.992 6.178 ( 1.348 0.676 0.000) 1.508 6.369 ( -13.584 4.792 0.000) 14.404 6.394 ( 0.451 -13.110 0.000) 13.117 6.532 ( 7.052 -2.335 0.000) 7.429 6.626 ( 9.524 -3.195 0.000) 10.046 6.766 ( -0.890 15.143 0.000) 15.170 7.109 ( -2.160 -13.301 0.000) 13.476 7.175 ( -0.713 1.373 0.000) 1.547 7.194 ( -18.543 -1.299 0.000) 18.588 7.252 ( -3.331 -11.521 0.000) 11.993 7.595 ( -1.815 -7.491 0.000) 7.707 8.046 ( -2.027 4.671 0.000) 5.092 8.798 ( 2.040 -3.556 0.000) 4.099 9.058 ( 6.855 -4.168 0.000) 8.023 9.430 ( 10.386 2.199 0.000) 10.616 9.547 ( -1.472 0.250 0.000) 1.493 9.698 ( 4.623 -11.996 0.000) 12.856 10.217 ( -5.867 -2.816 0.000) 6.508 10.301 ( -3.367 -5.160 0.000) 6.161 10.510 ( -0.291 -5.119 0.000) 5.127 10.718 ( -2.904 -3.491 0.000) 4.541 11.012 ( 2.360 -4.723 0.000) 5.280 11.224 ( 1.742 -3.108 0.000) 3.563 11.906 ( 4.555 -4.483 0.000) 6.391 13.449 ( -2.217 1.427 0.000) 2.637 13.616 ( 0.045 4.928 0.000) 4.928 13.686 ( 0.389 5.744 0.000) 5.757 13.711 ( -0.871 4.914 0.000) 4.991 15.217 ( -6.834 -3.087 0.000) 7.499 15.902 ( 0.338 -0.620 0.000) 0.707 16.010 ( 1.447 -0.349 0.000) 1.488 16.093 ( -1.064 1.491 0.000) 1.831 16.114 ( -3.343 -6.232 0.000) 7.072 16.389 ( -1.627 -3.530 0.000) 3.887 16.711 ( 4.441 7.455 0.000) 8.678 16.842 ( 4.392 1.635 0.000) 4.687 18.657 ( -1.726 -7.985 0.000) 8.169 19.127 ( -2.452 1.675 0.000) 2.970 19.241 ( 8.504 0.677 0.000) 8.531 19.829 ( 6.397 -3.178 0.000) 7.143 24.179 ( 3.670 14.184 0.000) 14.651 25.392 ( 41.247 -4.466 0.000) 41.488 26.718 ( -11.620 0.482 0.000) 11.630 27.192 ( -54.008 -28.041 0.000) 60.853 28.384 ( -13.419 -1.153 0.000) 13.469 28.425 ( -7.959 1.537 0.000) 8.106 29.392 ( 1.001 3.988 0.000) 4.111 29.849 ( 3.248 -7.275 0.000) 7.967 30.463 ( 1.717 1.632 0.000) 2.369 30.691 ( 5.289 1.628 0.000) 5.534 32.366 ( -0.750 0.831 0.000) 1.119 32.414 ( -0.605 0.134 0.000) 0.619 32.614 ( -0.607 6.144 0.000) 6.174 32.924 ( -1.242 -4.111 0.000) 4.295 33.927 ( -3.870 24.080 0.000) 24.389 34.408 ( -2.007 -10.251 0.000) 10.445 35.899 ( 44.188 17.151 0.000) 47.400 37.400 ( 15.426 -24.633 0.000) 29.065 ======================= Grid point 20 (15/93) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 22.761 0.000) 22.761 0.563 ( 0.000 22.205 0.000) 22.205 1.505 ( 0.000 62.093 0.000) 62.093 1.860 ( 0.000 14.915 0.000) 14.915 2.084 ( 0.000 11.663 0.000) 11.663 2.471 ( 0.000 19.077 0.000) 19.077 2.708 ( 0.000 7.826 0.000) 7.826 3.814 ( 0.000 3.387 0.000) 3.387 3.819 ( 0.000 0.062 0.000) 0.062 4.051 ( 0.000 6.844 0.000) 6.844 4.387 ( 0.000 13.872 0.000) 13.872 4.495 ( -0.000 -26.632 0.000) 26.632 4.657 ( -0.000 -1.033 0.000) 1.033 4.772 ( -0.000 -0.689 0.000) 0.689 4.971 ( 0.000 6.671 0.000) 6.671 4.994 ( -0.000 -13.512 0.000) 13.512 5.270 ( 0.000 7.533 0.000) 7.533 5.416 ( 0.000 4.947 0.000) 4.947 5.601 ( 0.000 2.461 0.000) 2.461 5.647 ( 0.000 7.479 0.000) 7.479 6.119 ( 0.000 5.676 0.000) 5.676 6.142 ( 0.000 12.398 0.000) 12.398 6.482 ( 0.000 9.358 0.000) 9.358 6.555 ( 0.000 4.914 0.000) 4.914 6.689 ( -0.000 -9.008 0.000) 9.008 6.728 ( -0.000 -1.466 0.000) 1.466 7.095 ( -0.000 -9.195 0.000) 9.195 7.142 ( 0.000 1.967 0.000) 1.967 7.237 ( -0.000 -12.464 0.000) 12.464 7.408 ( -0.000 -15.553 0.000) 15.553 7.658 ( -0.000 -5.427 0.000) 5.427 7.970 ( 0.000 5.673 0.000) 5.673 8.835 ( -0.000 -0.775 0.000) 0.775 9.188 ( -0.000 -7.473 0.000) 7.473 9.532 ( 0.000 0.222 0.000) 0.222 9.533 ( 0.000 3.517 0.000) 3.517 9.874 ( -0.000 -9.453 0.000) 9.453 10.183 ( -0.000 -3.397 0.000) 3.397 10.310 ( -0.000 -2.778 0.000) 2.778 10.540 ( -0.000 -3.570 0.000) 3.570 10.687 ( 0.000 1.628 0.000) 1.628 11.080 ( -0.000 -3.643 0.000) 3.643 11.272 ( -0.000 -2.292 0.000) 2.292 11.986 ( -0.000 -3.037 0.000) 3.037 13.393 ( 0.000 4.944 0.000) 4.944 13.564 ( 0.000 4.041 0.000) 4.041 13.638 ( 0.000 3.813 0.000) 3.813 13.658 ( 0.000 2.499 0.000) 2.499 15.175 ( -0.000 -0.804 0.000) 0.804 15.911 ( -0.000 -0.469 0.000) 0.469 16.016 ( 0.000 0.889 0.000) 0.889 16.071 ( 0.000 1.007 0.000) 1.007 16.182 ( -0.000 -9.466 0.000) 9.466 16.427 ( -0.000 -4.868 0.000) 4.868 16.665 ( 0.000 7.143 0.000) 7.143 16.859 ( 0.000 1.135 0.000) 1.135 18.749 ( -0.000 -9.812 0.000) 9.812 19.086 ( 0.000 2.384 0.000) 2.384 19.315 ( -0.000 -0.365 0.000) 0.365 19.957 ( -0.000 -5.155 0.000) 5.155 24.025 ( 0.000 16.251 0.000) 16.251 26.238 ( -0.000 -24.211 0.000) 24.211 26.539 ( 0.000 0.229 0.000) 0.229 26.621 ( 0.000 0.500 0.000) 0.500 28.268 ( 0.000 0.676 0.000) 0.676 28.351 ( 0.000 0.810 0.000) 0.810 29.362 ( 0.000 2.739 0.000) 2.739 29.962 ( -0.000 -7.307 0.000) 7.307 30.452 ( 0.000 2.330 0.000) 2.330 30.702 ( 0.000 3.145 0.000) 3.145 32.362 ( -0.000 -1.318 0.000) 1.318 32.407 ( 0.000 0.146 0.000) 0.146 32.545 ( 0.000 5.142 0.000) 5.142 32.963 ( -0.000 -4.943 0.000) 4.943 33.615 ( 0.000 24.170 0.000) 24.170 34.493 ( -0.000 -7.132 0.000) 7.132 36.302 ( -0.000 -1.644 0.000) 1.644 37.786 ( -0.000 -19.777 0.000) 19.777 ======================= Grid point 23 (16/93) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 22.310 -0.000 0.000) 22.310 1.868 ( 25.467 -0.000 0.000) 25.467 2.542 ( 15.211 -0.000 0.000) 15.211 3.023 ( 19.362 -0.000 0.000) 19.362 3.129 ( 4.530 -0.000 0.000) 4.530 3.515 ( 12.511 -0.000 0.000) 12.511 3.587 ( 11.540 -0.000 0.000) 11.540 3.786 ( -5.699 0.000 0.000) 5.699 3.808 ( 6.557 -0.000 0.000) 6.557 3.850 ( 35.745 -0.000 0.000) 35.745 4.419 ( 2.052 -0.000 0.000) 2.052 4.606 ( 1.463 -0.000 0.000) 1.463 4.986 ( -5.433 0.000 0.000) 5.433 4.996 ( -5.534 0.000 0.000) 5.534 5.196 ( 6.890 -0.000 0.000) 6.890 5.308 ( -1.778 0.000 0.000) 1.778 5.359 ( 16.418 -0.000 0.000) 16.418 5.549 ( -14.121 0.000 0.000) 14.121 5.649 ( 13.139 -0.000 0.000) 13.139 5.802 ( -1.625 0.000 0.000) 1.625 6.017 ( 10.405 -0.000 0.000) 10.405 6.318 ( 4.675 -0.000 0.000) 4.675 6.325 ( 1.545 -0.000 0.000) 1.545 6.359 ( 1.172 -0.000 0.000) 1.172 7.112 ( -1.049 0.000 0.000) 1.049 7.130 ( 0.843 -0.000 0.000) 0.843 7.143 ( -7.630 0.000 0.000) 7.630 7.512 ( -2.688 0.000 0.000) 2.688 7.533 ( 1.045 -0.000 0.000) 1.045 7.823 ( 3.725 -0.000 0.000) 3.725 8.188 ( 8.586 -0.000 0.000) 8.586 8.199 ( -5.686 0.000 0.000) 5.686 8.315 ( 17.255 -0.000 0.000) 17.255 8.713 ( -8.481 0.000 0.000) 8.481 9.191 ( -4.503 0.000 0.000) 4.503 9.547 ( -4.603 0.000 0.000) 4.603 9.742 ( 6.612 -0.000 0.000) 6.612 10.108 ( -6.875 0.000 0.000) 6.875 10.392 ( -0.072 0.000 0.000) 0.072 10.470 ( -2.465 0.000 0.000) 2.465 10.549 ( -17.656 0.000 0.000) 17.656 10.755 ( -11.132 0.000 0.000) 11.132 11.280 ( -0.435 0.000 0.000) 0.435 11.542 ( -12.771 0.000 0.000) 12.771 13.461 ( -3.175 0.000 0.000) 3.175 13.555 ( 6.536 -0.000 0.000) 6.536 13.597 ( 4.609 -0.000 0.000) 4.609 13.793 ( 2.883 -0.000 0.000) 2.883 15.810 ( -1.459 0.000 0.000) 1.459 15.861 ( -4.720 0.000 0.000) 4.720 16.036 ( 11.348 -0.000 0.000) 11.348 16.046 ( -1.697 0.000 0.000) 1.697 16.407 ( -0.315 0.000 0.000) 0.315 16.447 ( -9.188 0.000 0.000) 9.188 16.658 ( 4.314 -0.000 0.000) 4.314 16.689 ( 4.973 -0.000 0.000) 4.973 19.086 ( -2.681 0.000 0.000) 2.681 19.173 ( 7.196 -0.000 0.000) 7.196 19.221 ( 4.808 -0.000 0.000) 4.808 19.415 ( 1.145 -0.000 0.000) 1.145 23.586 ( -2.415 0.000 0.000) 2.415 23.897 ( -13.079 0.000 0.000) 13.079 27.780 ( 28.331 -0.000 0.000) 28.331 28.276 ( -17.026 0.000 0.000) 17.026 28.534 ( -13.647 0.000 0.000) 13.647 29.508 ( 16.306 -0.000 0.000) 16.306 30.010 ( 11.856 -0.000 0.000) 11.856 30.049 ( -16.695 0.000 0.000) 16.695 30.125 ( -12.106 0.000 0.000) 12.106 30.138 ( -11.288 0.000 0.000) 11.288 32.456 ( -0.371 0.000 0.000) 0.371 32.579 ( 3.617 -0.000 0.000) 3.617 32.671 ( 5.305 -0.000 0.000) 5.305 32.790 ( 0.230 -0.000 0.000) 0.230 33.284 ( 5.090 -0.000 0.000) 5.090 34.092 ( 27.230 -0.000 0.000) 27.230 34.943 ( 13.303 -0.000 0.000) 13.303 36.396 ( -36.308 0.000 0.000) 36.308 ======================= Grid point 24 (17/93) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 17.941 -18.541 0.000) 25.800 2.238 ( 19.732 -2.824 0.000) 19.933 2.712 ( 14.001 8.082 0.000) 16.166 3.012 ( -13.191 2.507 0.000) 13.427 3.332 ( 12.917 -11.915 0.000) 17.574 3.662 ( -8.297 2.881 0.000) 8.783 3.675 ( 11.389 0.212 0.000) 11.391 3.837 ( 14.358 -0.526 0.000) 14.367 3.989 ( 9.822 -2.977 0.000) 10.264 4.271 ( 20.400 4.494 0.000) 20.889 4.320 ( -14.602 2.385 0.000) 14.795 4.540 ( -0.934 9.037 0.000) 9.085 4.952 ( -0.959 -3.072 0.000) 3.218 4.953 ( 2.894 4.166 0.000) 5.072 5.227 ( 0.515 8.564 0.000) 8.580 5.270 ( -8.237 -3.967 0.000) 9.142 5.376 ( 4.774 0.364 0.000) 4.787 5.649 ( 12.202 -7.841 0.000) 14.504 5.826 ( 8.075 -2.036 0.000) 8.328 5.859 ( -2.385 -11.246 0.000) 11.496 6.163 ( 5.353 -3.672 0.000) 6.491 6.314 ( -4.742 4.476 0.000) 6.520 6.381 ( 7.510 -1.808 0.000) 7.724 6.461 ( 6.687 -4.360 0.000) 7.982 6.930 ( -11.009 7.020 0.000) 13.056 7.046 ( -0.908 13.008 0.000) 13.040 7.075 ( -5.925 0.218 0.000) 5.929 7.471 ( -0.214 1.735 0.000) 1.748 7.524 ( 1.327 4.958 0.000) 5.132 7.885 ( 3.589 -0.193 0.000) 3.594 8.132 ( -7.413 -2.258 0.000) 7.750 8.300 ( 8.747 3.717 0.000) 9.504 8.513 ( 8.037 -0.787 0.000) 8.075 8.550 ( -9.704 2.398 0.000) 9.996 9.138 ( -4.976 -2.813 0.000) 5.716 9.484 ( -3.241 0.780 0.000) 3.334 9.857 ( 7.816 -0.989 0.000) 7.878 9.998 ( -6.827 0.247 0.000) 6.832 10.252 ( -13.202 3.743 0.000) 13.722 10.419 ( -1.910 2.595 0.000) 3.222 10.467 ( -0.524 -7.309 0.000) 7.328 10.590 ( -11.761 -2.735 0.000) 12.075 11.286 ( 2.145 0.596 0.000) 2.227 11.347 ( -12.042 0.445 0.000) 12.050 13.421 ( -4.216 -2.898 0.000) 5.116 13.664 ( 6.090 -1.654 0.000) 6.311 13.673 ( 3.484 -2.055 0.000) 4.045 13.824 ( 1.762 0.756 0.000) 1.917 15.754 ( -9.381 -0.074 0.000) 9.381 15.798 ( 0.296 0.102 0.000) 0.313 16.024 ( -1.641 -0.655 0.000) 1.767 16.202 ( 9.614 -0.049 0.000) 9.615 16.323 ( -5.983 1.409 0.000) 6.147 16.379 ( -0.817 1.765 0.000) 1.944 16.716 ( 4.661 1.468 0.000) 4.887 16.737 ( 5.974 5.917 0.000) 8.409 19.002 ( -2.506 6.318 0.000) 6.797 19.196 ( 6.747 9.616 0.000) 11.747 19.346 ( 5.080 -3.854 0.000) 6.376 19.444 ( -1.502 -2.845 0.000) 3.217 23.629 ( 0.485 -9.716 0.000) 9.728 23.796 ( -7.622 -9.016 0.000) 11.806 27.973 ( -21.738 0.261 0.000) 21.740 28.148 ( 13.454 4.697 0.000) 14.251 28.306 ( -11.456 -7.311 0.000) 13.590 29.726 ( -23.052 1.282 0.000) 23.088 29.783 ( 18.476 -0.517 0.000) 18.483 29.921 ( -4.739 10.290 0.000) 11.328 29.948 ( -14.225 -1.060 0.000) 14.264 30.162 ( 9.261 1.630 0.000) 9.403 32.444 ( -0.709 0.360 0.000) 0.795 32.621 ( 3.609 9.749 0.000) 10.395 32.639 ( 2.607 -1.848 0.000) 3.195 32.950 ( -1.937 -13.684 0.000) 13.821 33.398 ( 6.089 -6.290 0.000) 8.755 34.578 ( 27.838 -9.347 0.000) 29.365 35.148 ( 16.975 4.428 0.000) 17.543 35.855 ( -30.344 4.761 0.000) 30.715 ======================= Grid point 25 (18/93) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 9.185 1.442 0.000) 9.297 2.500 ( 11.715 -20.278 0.000) 23.419 2.747 ( -15.200 2.669 0.000) 15.432 2.881 ( 16.254 -0.188 0.000) 16.255 3.474 ( -10.562 4.425 0.000) 11.451 3.644 ( 7.475 -11.876 0.000) 14.032 3.831 ( -6.600 1.918 0.000) 6.873 3.897 ( -1.525 8.039 0.000) 8.182 3.975 ( -7.236 0.095 0.000) 7.237 4.104 ( 2.250 3.688 0.000) 4.320 4.307 ( -0.732 11.501 0.000) 11.524 4.505 ( 6.627 3.726 0.000) 7.603 4.915 ( 0.659 6.307 0.000) 6.341 5.012 ( 2.084 -2.850 0.000) 3.531 5.175 ( 0.641 -0.609 0.000) 0.884 5.246 ( -4.511 -8.039 0.000) 9.218 5.518 ( 12.162 2.462 0.000) 12.408 5.868 ( 10.225 0.391 0.000) 10.232 5.935 ( 1.135 -4.144 0.000) 4.296 5.957 ( -1.925 -9.555 0.000) 9.747 6.130 ( -8.802 6.218 0.000) 10.777 6.262 ( -0.812 -7.187 0.000) 7.233 6.477 ( 0.850 6.247 0.000) 6.304 6.625 ( 12.432 -1.107 0.000) 12.481 6.669 ( -12.918 5.966 0.000) 14.229 6.896 ( 2.114 7.079 0.000) 7.388 6.949 ( -8.649 1.900 0.000) 8.855 7.431 ( 1.749 11.396 0.000) 11.529 7.489 ( 1.507 1.686 0.000) 2.261 7.906 ( 0.941 4.166 0.000) 4.271 7.988 ( -12.435 0.472 0.000) 12.444 8.367 ( 6.872 4.234 0.000) 8.071 8.402 ( -7.722 0.254 0.000) 7.726 8.601 ( 2.827 -1.682 0.000) 3.290 9.100 ( -5.572 -4.748 0.000) 7.320 9.423 ( -3.815 0.864 0.000) 3.912 9.888 ( -7.149 1.633 0.000) 7.333 9.999 ( 8.334 -1.970 0.000) 8.564 10.064 ( -8.267 -1.753 0.000) 8.451 10.354 ( -3.701 1.346 0.000) 3.939 10.491 ( -6.245 -4.647 0.000) 7.784 10.566 ( 1.984 -6.875 0.000) 7.156 11.183 ( -8.982 -0.344 0.000) 8.989 11.340 ( 4.848 -1.111 0.000) 4.974 13.399 ( -4.701 -5.026 0.000) 6.882 13.744 ( 1.910 -2.820 0.000) 3.406 13.766 ( 4.627 -1.333 0.000) 4.815 13.829 ( 0.615 1.519 0.000) 1.639 15.587 ( -12.413 -0.421 0.000) 12.420 15.813 ( 1.115 -0.523 0.000) 1.231 16.017 ( -0.336 -0.823 0.000) 0.889 16.227 ( -3.378 3.196 0.000) 4.650 16.274 ( 1.356 3.169 0.000) 3.447 16.400 ( 4.276 -1.497 0.000) 4.530 16.746 ( 7.258 9.055 0.000) 11.605 16.770 ( 5.169 2.137 0.000) 5.594 18.879 ( -3.055 7.376 0.000) 7.984 19.183 ( 7.157 10.480 0.000) 12.690 19.416 ( -3.950 0.287 0.000) 3.960 19.449 ( 3.922 -2.338 0.000) 4.566 23.815 ( 4.180 -15.846 0.000) 16.388 23.855 ( -2.624 -13.770 0.000) 14.018 27.627 ( -23.521 -0.395 0.000) 23.524 27.906 ( -26.071 -4.238 0.000) 26.413 28.522 ( 13.969 -1.222 0.000) 14.022 29.352 ( -22.586 2.668 0.000) 22.743 29.741 ( -13.349 -1.351 0.000) 13.417 29.756 ( -2.327 8.899 0.000) 9.198 30.069 ( 16.728 -1.683 0.000) 16.813 30.268 ( 7.137 1.325 0.000) 7.259 32.431 ( -0.859 -0.336 0.000) 0.922 32.572 ( 2.383 6.919 0.000) 7.318 32.698 ( 1.472 -2.881 0.000) 3.235 33.003 ( -1.747 -1.929 0.000) 2.603 33.599 ( 3.508 -14.034 0.000) 14.466 35.124 ( 26.330 -13.301 0.000) 29.499 35.340 ( 6.862 9.391 0.000) 11.631 35.398 ( -8.988 6.456 0.000) 11.066 ======================= Grid point 26 (19/93) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -17.731 8.818 0.000) 19.803 2.553 ( 4.409 -0.363 0.000) 4.424 2.882 ( 7.879 -6.717 0.000) 10.354 3.104 ( -6.437 -3.374 0.000) 7.267 3.245 ( -15.395 1.899 0.000) 15.512 3.358 ( -21.715 -0.482 0.000) 21.720 3.696 ( -5.499 12.929 0.000) 14.050 3.813 ( 4.547 -2.441 0.000) 5.161 3.961 ( -0.862 15.578 0.000) 15.602 4.145 ( -2.130 6.291 0.000) 6.642 4.231 ( 13.180 -4.653 0.000) 13.977 4.589 ( 3.344 -3.723 0.000) 5.004 4.812 ( -6.178 5.324 0.000) 8.156 5.044 ( -0.562 -1.645 0.000) 1.738 5.209 ( -7.281 0.336 0.000) 7.288 5.270 ( 1.176 -9.790 0.000) 9.860 5.664 ( 11.692 5.314 0.000) 12.843 5.866 ( -9.858 3.291 0.000) 10.393 5.898 ( -3.174 11.129 0.000) 11.573 5.942 ( -2.099 0.226 0.000) 2.111 6.081 ( 0.951 -0.390 0.000) 1.027 6.231 ( 1.016 4.558 0.000) 4.670 6.425 ( -8.766 5.559 0.000) 10.380 6.431 ( 4.614 0.938 0.000) 4.709 6.784 ( -10.012 0.877 0.000) 10.051 6.789 ( 2.145 -4.510 0.000) 4.994 6.976 ( 8.539 -2.366 0.000) 8.860 7.268 ( 0.285 18.172 0.000) 18.174 7.505 ( 1.726 0.772 0.000) 1.891 7.778 ( -15.093 -0.755 0.000) 15.112 7.788 ( -5.258 10.427 0.000) 11.677 8.292 ( -6.410 0.366 0.000) 6.421 8.451 ( 6.907 -1.902 0.000) 7.165 8.664 ( 2.925 -2.270 0.000) 3.702 9.094 ( -4.563 -8.352 0.000) 9.518 9.351 ( -4.301 0.109 0.000) 4.302 9.749 ( -7.042 2.403 0.000) 7.441 10.040 ( -2.194 -5.937 0.000) 6.330 10.142 ( 6.329 -2.273 0.000) 6.725 10.287 ( -6.679 -4.596 0.000) 8.107 10.505 ( 1.530 -3.056 0.000) 3.418 10.675 ( 2.406 -6.189 0.000) 6.640 11.092 ( -4.614 -2.030 0.000) 5.041 11.458 ( 6.518 -3.918 0.000) 7.605 13.392 ( -4.615 -5.865 0.000) 7.462 13.794 ( 0.603 -2.537 0.000) 2.608 13.809 ( 0.226 2.528 0.000) 2.538 13.830 ( 2.466 0.193 0.000) 2.474 15.405 ( -11.985 -0.841 0.000) 12.014 15.840 ( 1.428 -0.658 0.000) 1.572 16.029 ( 0.959 -0.173 0.000) 0.974 16.141 ( -2.623 3.763 0.000) 4.587 16.233 ( -1.533 2.414 0.000) 2.860 16.463 ( 2.197 0.885 0.000) 2.368 16.770 ( 9.139 7.760 0.000) 11.989 16.822 ( 5.489 3.098 0.000) 6.303 18.745 ( -3.482 6.777 0.000) 7.619 19.181 ( 7.854 9.146 0.000) 12.055 19.331 ( -5.053 1.889 0.000) 5.394 19.527 ( 2.913 -2.621 0.000) 3.919 24.012 ( 1.576 -13.871 0.000) 13.961 24.115 ( 8.903 -18.658 0.000) 20.674 27.279 ( -22.680 -0.549 0.000) 22.687 27.548 ( -30.280 -8.329 0.000) 31.404 28.643 ( 0.171 -0.110 0.000) 0.203 28.992 ( -20.301 2.669 0.000) 20.476 29.611 ( -4.974 -1.728 0.000) 5.266 29.642 ( -0.691 7.217 0.000) 7.250 30.325 ( 13.450 -2.711 0.000) 13.720 30.352 ( 4.981 -0.049 0.000) 4.982 32.425 ( -0.850 -0.744 0.000) 1.130 32.529 ( 1.386 5.666 0.000) 5.833 32.750 ( 0.520 -3.606 0.000) 3.643 32.967 ( -0.898 4.181 0.000) 4.276 33.804 ( 0.978 -15.224 0.000) 15.256 34.992 ( -14.223 10.868 0.000) 17.900 35.584 ( 22.395 9.330 0.000) 24.261 35.682 ( 23.946 -17.254 0.000) 29.515 ======================= Grid point 27 (20/93) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -17.562 16.011 0.000) 23.765 2.406 ( -41.018 7.334 0.000) 41.668 2.730 ( -6.216 -10.327 0.000) 12.053 2.905 ( 0.501 12.717 0.000) 12.727 2.923 ( -17.817 7.922 0.000) 19.499 3.463 ( -5.547 13.960 0.000) 15.021 3.495 ( 10.189 -6.576 0.000) 12.127 3.697 ( -2.412 23.506 0.000) 23.630 3.857 ( 1.850 3.093 0.000) 3.604 4.205 ( 8.578 -6.899 0.000) 11.008 4.403 ( 4.350 1.827 0.000) 4.718 4.607 ( -10.385 6.307 0.000) 12.150 4.678 ( -0.831 -7.001 0.000) 7.050 4.998 ( -4.738 7.566 0.000) 8.927 5.050 ( -11.759 -0.045 0.000) 11.759 5.322 ( 2.247 5.670 0.000) 6.099 5.649 ( -2.279 7.931 0.000) 8.252 5.721 ( -3.409 -1.131 0.000) 3.592 5.788 ( 4.835 5.141 0.000) 7.058 5.881 ( -7.016 -6.332 0.000) 9.451 5.987 ( -8.134 5.301 0.000) 9.709 6.282 ( 0.430 12.658 0.000) 12.665 6.335 ( 12.324 0.430 0.000) 12.331 6.496 ( 1.676 -1.653 0.000) 2.354 6.679 ( -2.809 -1.510 0.000) 3.189 6.800 ( -5.890 -4.970 0.000) 7.707 7.068 ( -1.569 12.020 0.000) 12.122 7.123 ( 7.285 -0.062 0.000) 7.286 7.504 ( -5.774 -0.322 0.000) 5.783 7.536 ( -9.854 11.487 0.000) 15.134 7.539 ( -10.779 3.340 0.000) 11.284 8.202 ( -3.927 1.570 0.000) 4.230 8.605 ( 6.732 -4.619 0.000) 8.164 8.752 ( 3.386 -5.233 0.000) 6.233 9.169 ( -1.771 -13.302 0.000) 13.419 9.317 ( -0.705 -2.108 0.000) 2.223 9.636 ( -4.427 1.918 0.000) 4.824 10.098 ( -1.060 -7.298 0.000) 7.375 10.175 ( -7.707 -5.600 0.000) 9.526 10.317 ( 3.567 -3.884 0.000) 5.273 10.585 ( 3.686 -2.975 0.000) 4.737 10.781 ( 2.341 -5.940 0.000) 6.384 11.085 ( -0.985 -3.675 0.000) 3.804 11.617 ( 6.302 -6.115 0.000) 8.781 13.393 ( -3.846 -5.516 0.000) 6.725 13.774 ( -0.174 3.399 0.000) 3.403 13.819 ( -0.133 -0.993 0.000) 1.002 13.840 ( 0.985 2.524 0.000) 2.709 15.256 ( -8.982 -1.350 0.000) 9.083 15.869 ( 1.472 -0.464 0.000) 1.543 16.030 ( 0.182 2.862 0.000) 2.868 16.077 ( -1.366 0.636 0.000) 1.507 16.179 ( -2.302 1.752 0.000) 2.893 16.445 ( -0.016 4.119 0.000) 4.119 16.837 ( 8.130 4.346 0.000) 9.219 16.860 ( 5.119 4.457 0.000) 6.787 18.628 ( -2.979 4.383 0.000) 5.300 19.215 ( 8.286 6.284 0.000) 10.400 19.233 ( -4.572 1.859 0.000) 4.936 19.606 ( 2.596 -4.094 0.000) 4.848 24.199 ( 4.065 -9.844 0.000) 10.650 24.517 ( 14.601 -20.198 0.000) 24.923 26.964 ( -18.653 -0.042 0.000) 18.653 27.183 ( -32.019 -10.363 0.000) 33.654 28.550 ( -10.516 0.072 0.000) 10.516 28.685 ( -15.792 2.480 0.000) 15.985 29.562 ( 0.073 5.979 0.000) 5.980 29.628 ( 2.833 -2.407 0.000) 3.718 30.420 ( 3.044 -1.130 0.000) 3.247 30.535 ( 9.467 -3.192 0.000) 9.991 32.421 ( -0.747 -0.555 0.000) 0.931 32.482 ( 0.600 5.003 0.000) 5.039 32.797 ( -0.139 -3.860 0.000) 3.863 32.888 ( -0.500 7.414 0.000) 7.431 33.979 ( -0.443 -14.368 0.000) 14.375 34.682 ( -8.067 13.781 0.000) 15.969 35.831 ( 23.524 8.400 0.000) 24.979 36.246 ( 19.821 -22.313 0.000) 29.845 ======================= Grid point 28 (21/93) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -12.701 23.303 0.000) 26.540 1.592 ( -45.290 10.226 0.000) 46.430 2.512 ( -17.254 10.571 0.000) 20.235 2.738 ( 2.207 21.696 0.000) 21.808 2.821 ( 0.539 -3.056 0.000) 3.103 3.207 ( -4.171 16.481 0.000) 17.001 3.367 ( -2.498 26.067 0.000) 26.187 3.695 ( 6.690 -6.053 0.000) 9.022 3.838 ( 4.787 6.747 0.000) 8.273 4.230 ( -13.504 13.747 0.000) 19.270 4.380 ( -6.707 7.661 0.000) 10.182 4.453 ( 12.322 -3.494 0.000) 12.807 4.716 ( -1.562 -1.031 0.000) 1.872 4.837 ( 2.333 8.655 0.000) 8.964 4.891 ( -14.155 -7.836 0.000) 16.179 5.314 ( 5.010 9.176 0.000) 10.455 5.550 ( 1.467 7.353 0.000) 7.498 5.668 ( -7.106 -4.609 0.000) 8.470 5.745 ( -3.831 8.149 0.000) 9.005 5.800 ( -2.845 7.441 0.000) 7.967 6.004 ( 0.869 -18.453 0.000) 18.473 6.142 ( -0.729 6.623 0.000) 6.664 6.438 ( -4.012 3.652 0.000) 5.425 6.559 ( 11.279 -0.647 0.000) 11.298 6.699 ( 8.047 6.909 0.000) 10.606 6.812 ( -2.920 -10.836 0.000) 11.223 6.977 ( -1.241 1.130 0.000) 1.678 7.168 ( -0.293 3.659 0.000) 3.671 7.220 ( -17.795 4.108 0.000) 18.263 7.280 ( -6.724 6.459 0.000) 9.324 7.500 ( -0.042 1.509 0.000) 1.510 8.134 ( -1.701 2.960 0.000) 3.414 8.723 ( 3.402 -2.563 0.000) 4.260 8.886 ( 2.003 -9.446 0.000) 9.656 9.342 ( 0.833 -16.990 0.000) 17.011 9.397 ( 5.716 -4.576 0.000) 7.322 9.570 ( -2.010 1.227 0.000) 2.355 10.105 ( -9.465 -6.151 0.000) 11.288 10.162 ( -1.366 -6.678 0.000) 6.816 10.412 ( 2.688 -3.189 0.000) 4.171 10.664 ( 2.155 -2.292 0.000) 3.146 10.882 ( 1.638 -6.117 0.000) 6.333 11.134 ( 0.585 -4.574 0.000) 4.611 11.774 ( 3.989 -6.769 0.000) 7.857 13.404 ( -2.258 -4.311 0.000) 4.866 13.726 ( -0.156 4.271 0.000) 4.274 13.806 ( 0.103 4.419 0.000) 4.421 13.811 ( -0.284 1.873 0.000) 1.894 15.168 ( -4.742 -1.627 0.000) 5.013 15.892 ( 0.953 -0.202 0.000) 0.974 15.995 ( -0.454 0.933 0.000) 1.038 16.065 ( -0.564 0.465 0.000) 0.731 16.128 ( -1.726 1.434 0.000) 2.244 16.390 ( -0.593 3.753 0.000) 3.800 16.869 ( 3.494 5.643 0.000) 6.637 16.895 ( 4.503 2.883 0.000) 5.347 18.564 ( -1.631 0.366 0.000) 1.672 19.159 ( -2.640 1.353 0.000) 2.967 19.278 ( 6.515 2.991 0.000) 7.169 19.703 ( 2.357 -6.012 0.000) 6.457 24.334 ( 3.508 -2.263 0.000) 4.175 25.029 ( 19.412 -23.622 0.000) 30.575 26.731 ( -10.914 0.606 0.000) 10.930 26.815 ( -30.115 -8.081 0.000) 31.180 28.382 ( -9.448 0.646 0.000) 9.470 28.469 ( -8.757 2.137 0.000) 9.014 29.501 ( 0.265 5.129 0.000) 5.136 29.717 ( 3.158 -3.948 0.000) 5.055 30.468 ( 1.439 -1.131 0.000) 1.830 30.680 ( 5.002 -2.502 0.000) 5.593 32.415 ( -0.494 -0.153 0.000) 0.517 32.432 ( 0.045 4.440 0.000) 4.440 32.787 ( -0.317 8.499 0.000) 8.505 32.836 ( -0.382 -3.666 0.000) 3.686 34.127 ( -0.789 -13.202 0.000) 13.225 34.416 ( -3.550 17.477 0.000) 17.834 36.094 ( 19.558 3.849 0.000) 19.933 36.781 ( 12.229 -26.919 0.000) 29.566 ======================= Grid point 29 (22/93) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 16.436 0.000) 16.436 1.095 ( 0.000 26.504 0.000) 26.504 2.223 ( 0.000 14.303 0.000) 14.303 2.492 ( 0.000 22.194 0.000) 22.194 2.681 ( 0.000 29.853 0.000) 29.853 2.983 ( 0.000 15.575 0.000) 15.575 3.033 ( 0.000 27.280 0.000) 27.280 3.841 ( -0.000 -0.387 0.000) 0.387 3.886 ( 0.000 2.402 0.000) 2.402 3.933 ( -0.000 -8.437 0.000) 8.437 4.235 ( 0.000 8.010 0.000) 8.010 4.624 ( 0.000 6.741 0.000) 6.741 4.628 ( -0.000 -1.408 0.000) 1.408 4.825 ( -0.000 -0.642 0.000) 0.642 4.829 ( -0.000 -1.287 0.000) 1.287 5.206 ( 0.000 13.149 0.000) 13.149 5.484 ( 0.000 10.047 0.000) 10.047 5.574 ( 0.000 8.418 0.000) 8.418 5.681 ( -0.000 -5.014 0.000) 5.014 5.706 ( 0.000 6.925 0.000) 6.925 6.179 ( -0.000 -13.966 0.000) 13.966 6.210 ( -0.000 -10.614 0.000) 10.614 6.293 ( 0.000 8.787 0.000) 8.787 6.688 ( -0.000 -1.802 0.000) 1.802 6.712 ( 0.000 8.304 0.000) 8.304 6.905 ( 0.000 12.551 0.000) 12.551 6.932 ( -0.000 -12.880 0.000) 12.880 7.015 ( -0.000 -1.446 0.000) 1.446 7.109 ( -0.000 -4.071 0.000) 4.071 7.205 ( 0.000 3.357 0.000) 3.357 7.509 ( -0.000 -4.131 0.000) 4.131 8.081 ( 0.000 3.902 0.000) 3.902 8.779 ( -0.000 -2.851 0.000) 2.851 9.010 ( -0.000 -8.938 0.000) 8.938 9.525 ( -0.000 -4.266 0.000) 4.266 9.543 ( 0.000 0.797 0.000) 0.797 9.557 ( -0.000 -17.203 0.000) 17.203 10.078 ( -0.000 -5.265 0.000) 5.265 10.216 ( -0.000 -5.232 0.000) 5.232 10.465 ( -0.000 -2.893 0.000) 2.893 10.697 ( -0.000 -0.790 0.000) 0.790 10.966 ( -0.000 -5.908 0.000) 5.908 11.194 ( -0.000 -4.357 0.000) 4.357 11.880 ( -0.000 -5.985 0.000) 5.985 13.425 ( -0.000 -2.233 0.000) 2.233 13.672 ( 0.000 4.804 0.000) 4.804 13.750 ( 0.000 5.205 0.000) 5.205 13.768 ( 0.000 4.946 0.000) 4.946 15.149 ( -0.000 -1.391 0.000) 1.391 15.901 ( -0.000 -0.240 0.000) 0.240 16.012 ( -0.000 -3.963 0.000) 3.963 16.044 ( 0.000 1.442 0.000) 1.442 16.099 ( 0.000 1.311 0.000) 1.311 16.358 ( 0.000 0.407 0.000) 0.407 16.827 ( 0.000 6.525 0.000) 6.525 16.899 ( 0.000 2.339 0.000) 2.339 18.573 ( -0.000 -4.130 0.000) 4.130 19.124 ( 0.000 1.204 0.000) 1.204 19.315 ( 0.000 0.727 0.000) 0.727 19.805 ( -0.000 -7.340 0.000) 7.340 24.335 ( 0.000 7.033 0.000) 7.033 25.574 ( -0.000 -31.224 0.000) 31.224 26.546 ( 0.000 0.357 0.000) 0.357 26.637 ( 0.000 0.811 0.000) 0.811 28.290 ( 0.000 1.224 0.000) 1.224 28.379 ( 0.000 1.664 0.000) 1.664 29.448 ( 0.000 4.525 0.000) 4.525 29.799 ( -0.000 -5.839 0.000) 5.839 30.486 ( 0.000 0.073 0.000) 0.073 30.737 ( -0.000 -0.600 0.000) 0.600 32.386 ( 0.000 3.223 0.000) 3.223 32.411 ( 0.000 0.100 0.000) 0.100 32.690 ( 0.000 7.673 0.000) 7.673 32.873 ( -0.000 -3.484 0.000) 3.484 34.164 ( 0.000 21.437 0.000) 21.437 34.265 ( -0.000 -11.924 0.000) 11.924 36.264 ( -0.000 -1.381 0.000) 1.381 37.204 ( -0.000 -28.352 0.000) 28.352 ======================= Grid point 34 (23/93) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 15.889 -0.000 0.000) 15.889 2.498 ( 15.645 -0.000 0.000) 15.645 2.796 ( -16.392 0.000 0.000) 16.392 2.985 ( 11.944 -0.000 0.000) 11.944 3.349 ( 4.888 -0.000 0.000) 4.888 3.518 ( -12.545 0.000 0.000) 12.545 3.874 ( 12.719 -0.000 0.000) 12.719 3.971 ( 2.591 -0.000 0.000) 2.591 3.988 ( -29.563 0.000 0.000) 29.563 4.122 ( 7.901 -0.000 0.000) 7.901 4.557 ( -4.422 0.000 0.000) 4.422 4.572 ( 13.481 -0.000 0.000) 13.481 4.947 ( 2.786 -0.000 0.000) 2.786 5.009 ( -16.741 0.000 0.000) 16.741 5.093 ( 12.135 -0.000 0.000) 12.135 5.333 ( 3.126 -0.000 0.000) 3.126 5.548 ( 13.476 -0.000 0.000) 13.476 5.700 ( 3.124 -0.000 0.000) 3.124 5.790 ( 1.283 -0.000 0.000) 1.283 5.952 ( 9.618 -0.000 0.000) 9.618 6.168 ( -0.993 0.000 0.000) 0.993 6.216 ( -11.569 0.000 0.000) 11.569 6.474 ( 7.663 -0.000 0.000) 7.663 6.621 ( 13.530 -0.000 0.000) 13.530 6.729 ( -16.826 0.000 0.000) 16.826 7.018 ( -5.044 0.000 0.000) 5.044 7.086 ( -3.384 0.000 0.000) 3.384 7.439 ( -2.856 0.000 0.000) 2.856 7.576 ( 1.533 -0.000 0.000) 1.533 7.932 ( 2.765 -0.000 0.000) 2.765 8.041 ( -5.705 0.000 0.000) 5.705 8.405 ( -10.151 0.000 0.000) 10.151 8.458 ( 8.590 -0.000 0.000) 8.590 8.557 ( -1.057 0.000 0.000) 1.057 9.035 ( -6.371 0.000 0.000) 6.371 9.428 ( -4.858 0.000 0.000) 4.858 9.909 ( -5.112 0.000 0.000) 5.112 9.974 ( 8.215 -0.000 0.000) 8.215 10.050 ( -13.236 0.000 0.000) 13.236 10.375 ( -13.132 0.000 0.000) 13.132 10.429 ( 0.933 -0.000 0.000) 0.933 10.469 ( 4.164 -0.000 0.000) 4.164 11.178 ( -10.021 0.000 0.000) 10.021 11.329 ( 3.326 -0.000 0.000) 3.326 13.336 ( -4.591 0.000 0.000) 4.591 13.707 ( 2.309 -0.000 0.000) 2.309 13.746 ( 5.625 -0.000 0.000) 5.625 13.847 ( 0.627 -0.000 0.000) 0.627 15.583 ( -12.420 0.000 0.000) 12.420 15.806 ( 0.990 -0.000 0.000) 0.990 16.006 ( -0.033 0.000 0.000) 0.033 16.273 ( -2.294 0.000 0.000) 2.294 16.344 ( 8.480 -0.000 0.000) 8.480 16.352 ( -3.145 0.000 0.000) 3.145 16.789 ( 4.057 -0.000 0.000) 4.057 16.863 ( 5.834 -0.000 0.000) 5.834 18.987 ( -4.307 0.000 0.000) 4.307 19.344 ( 3.003 -0.000 0.000) 3.003 19.404 ( 7.586 -0.000 0.000) 7.586 19.418 ( -0.787 0.000 0.000) 0.787 23.602 ( 3.616 -0.000 0.000) 3.616 23.661 ( -3.088 0.000 0.000) 3.088 27.623 ( -23.709 0.000 0.000) 23.709 27.857 ( -28.035 0.000 0.000) 28.035 28.512 ( 16.363 -0.000 0.000) 16.363 29.369 ( -23.698 0.000 0.000) 23.698 29.725 ( -13.212 0.000 0.000) 13.212 29.883 ( -6.261 0.000 0.000) 6.261 30.048 ( 16.381 -0.000 0.000) 16.381 30.285 ( 5.941 -0.000 0.000) 5.941 32.427 ( -1.412 0.000 0.000) 1.412 32.664 ( 1.898 -0.000 0.000) 1.898 32.794 ( 2.873 -0.000 0.000) 2.873 32.800 ( 0.384 -0.000 0.000) 0.384 33.471 ( 6.592 -0.000 0.000) 6.592 34.955 ( 27.662 -0.000 0.000) 27.662 35.448 ( 18.902 -0.000 0.000) 18.902 35.474 ( -23.022 0.000 0.000) 23.022 ======================= Grid point 35 (24/93) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 5.942 -9.185 0.000) 10.940 2.545 ( -10.139 -2.739 0.000) 10.502 2.656 ( 8.114 5.934 0.000) 10.052 3.049 ( -3.940 0.317 0.000) 3.953 3.289 ( -16.720 0.926 0.000) 16.746 3.389 ( -19.079 2.883 0.000) 19.296 3.639 ( -0.473 -11.761 0.000) 11.771 3.923 ( -4.559 4.636 0.000) 6.502 4.041 ( 3.396 -6.558 0.000) 7.385 4.206 ( 6.993 4.824 0.000) 8.495 4.403 ( -5.134 11.669 0.000) 12.749 4.643 ( 0.751 5.460 0.000) 5.511 4.826 ( -10.020 -4.446 0.000) 10.962 5.015 ( 3.189 -2.718 0.000) 4.190 5.279 ( 10.217 3.486 0.000) 10.795 5.284 ( 2.810 12.946 0.000) 13.247 5.747 ( 14.000 2.101 0.000) 14.156 5.778 ( -4.571 -12.638 0.000) 13.439 5.867 ( 1.171 -4.033 0.000) 4.200 6.016 ( -9.504 -1.340 0.000) 9.598 6.078 ( 5.676 4.394 0.000) 7.179 6.168 ( 1.862 -3.977 0.000) 4.391 6.475 ( -15.110 0.896 0.000) 15.136 6.580 ( 6.047 1.941 0.000) 6.351 6.800 ( 7.989 2.611 0.000) 8.404 6.892 ( -6.896 5.412 0.000) 8.766 7.010 ( 3.067 5.273 0.000) 6.100 7.420 ( -3.921 -5.013 0.000) 6.364 7.570 ( 1.496 4.931 0.000) 5.153 7.890 ( -8.387 8.046 0.000) 11.623 7.941 ( -1.145 2.832 0.000) 3.055 8.278 ( -7.348 -1.364 0.000) 7.474 8.470 ( -2.244 2.664 0.000) 3.483 8.602 ( 4.299 -2.951 0.000) 5.214 8.949 ( -7.413 -3.779 0.000) 8.321 9.338 ( -7.153 -0.738 0.000) 7.191 9.816 ( -5.644 3.188 0.000) 6.482 9.923 ( -5.503 -4.168 0.000) 6.903 10.093 ( 4.409 -1.438 0.000) 4.637 10.206 ( -8.116 -1.850 0.000) 8.324 10.463 ( 2.699 -0.800 0.000) 2.815 10.555 ( 4.053 -3.249 0.000) 5.194 11.056 ( -6.413 -0.892 0.000) 6.475 11.393 ( 4.173 -1.485 0.000) 4.429 13.284 ( -4.275 -2.742 0.000) 5.079 13.740 ( 0.891 -1.473 0.000) 1.721 13.825 ( 4.249 -0.265 0.000) 4.257 13.846 ( -0.051 0.754 0.000) 0.756 15.394 ( -12.085 -0.186 0.000) 12.087 15.830 ( 1.813 -0.226 0.000) 1.827 16.022 ( 1.804 -0.206 0.000) 1.816 16.235 ( -0.920 2.951 0.000) 3.091 16.286 ( -3.396 1.689 0.000) 3.792 16.463 ( 5.912 -0.503 0.000) 5.933 16.848 ( 3.743 -0.136 0.000) 3.746 16.921 ( 5.287 3.951 0.000) 6.600 18.890 ( -4.742 3.953 0.000) 6.174 19.360 ( 3.523 4.022 0.000) 5.347 19.388 ( -1.960 2.326 0.000) 3.042 19.506 ( 5.647 0.985 0.000) 5.732 23.697 ( 0.224 -9.511 0.000) 9.514 23.739 ( 6.445 -10.372 0.000) 12.211 27.271 ( -22.293 -0.141 0.000) 22.293 27.431 ( -29.299 -2.294 0.000) 29.388 28.649 ( 1.094 0.296 0.000) 1.134 29.023 ( -21.165 0.393 0.000) 21.168 29.586 ( -4.390 -0.540 0.000) 4.423 29.777 ( -4.234 3.509 0.000) 5.499 30.276 ( 12.589 -1.219 0.000) 12.648 30.354 ( 3.520 0.119 0.000) 3.522 32.409 ( -1.220 -0.468 0.000) 1.307 32.694 ( 1.135 -1.214 0.000) 1.662 32.703 ( 1.864 9.318 0.000) 9.503 32.926 ( -0.041 -7.752 0.000) 7.752 33.585 ( 5.625 -3.422 0.000) 6.584 35.162 ( -15.204 3.749 0.000) 15.660 35.390 ( 23.648 -7.004 0.000) 24.663 35.719 ( 18.861 2.723 0.000) 19.057 ======================= Grid point 36 (25/93) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -13.659 7.465 0.000) 15.566 2.537 ( -45.160 0.046 0.000) 45.161 2.668 ( 2.106 9.702 0.000) 9.928 2.848 ( 7.788 -18.467 0.000) 20.042 2.996 ( -19.085 2.141 0.000) 19.205 3.365 ( 9.122 -3.197 0.000) 9.666 3.759 ( -4.753 10.178 0.000) 11.234 3.815 ( 1.391 -5.122 0.000) 5.307 4.104 ( 0.110 0.989 0.000) 0.995 4.198 ( -2.307 10.196 0.000) 10.453 4.288 ( 5.422 -5.705 0.000) 7.871 4.594 ( -2.325 -0.633 0.000) 2.409 4.701 ( -10.357 0.612 0.000) 10.375 5.044 ( -0.379 3.969 0.000) 3.987 5.241 ( 4.201 -0.712 0.000) 4.261 5.250 ( 0.185 13.800 0.000) 13.802 5.757 ( -7.464 1.920 0.000) 7.707 5.797 ( -6.402 -4.152 0.000) 7.630 5.922 ( 12.806 5.018 0.000) 13.754 5.986 ( -7.260 6.128 0.000) 9.500 6.083 ( 0.177 -0.312 0.000) 0.358 6.320 ( -2.583 -6.602 0.000) 7.089 6.320 ( 11.449 -0.447 0.000) 11.457 6.582 ( 4.493 9.071 0.000) 10.123 6.704 ( -7.576 7.353 0.000) 10.558 6.778 ( -1.832 3.128 0.000) 3.625 7.127 ( 11.140 0.522 0.000) 11.152 7.382 ( -9.446 -0.951 0.000) 9.494 7.499 ( 0.692 9.641 0.000) 9.665 7.663 ( -5.568 7.782 0.000) 9.569 7.790 ( -8.796 9.866 0.000) 13.217 8.203 ( -4.747 -1.336 0.000) 4.931 8.467 ( -0.061 -6.476 0.000) 6.476 8.690 ( 4.017 -1.017 0.000) 4.143 8.916 ( -5.497 -8.173 0.000) 9.850 9.250 ( -6.390 -3.162 0.000) 7.130 9.698 ( -4.042 3.523 0.000) 5.362 9.938 ( -1.799 -6.497 0.000) 6.742 10.048 ( -9.093 -4.161 0.000) 10.000 10.256 ( 5.874 -1.788 0.000) 6.140 10.526 ( 3.228 -2.066 0.000) 3.832 10.655 ( 2.948 -4.479 0.000) 5.362 11.008 ( -2.743 -2.658 0.000) 3.820 11.491 ( 4.215 -4.279 0.000) 6.006 13.268 ( -3.431 -4.577 0.000) 5.720 13.769 ( -0.050 -2.382 0.000) 2.383 13.830 ( -0.205 1.525 0.000) 1.538 13.875 ( 2.488 0.710 0.000) 2.588 15.234 ( -9.252 -0.616 0.000) 9.272 15.863 ( 2.238 -0.091 0.000) 2.240 16.057 ( 2.429 0.248 0.000) 2.441 16.171 ( -0.912 5.508 0.000) 5.583 16.216 ( -3.393 1.352 0.000) 3.652 16.524 ( 3.187 2.134 0.000) 3.836 16.906 ( 3.414 -0.225 0.000) 3.422 16.947 ( 4.881 4.387 0.000) 6.563 18.766 ( -3.821 5.627 0.000) 6.801 19.308 ( -2.764 4.664 0.000) 5.421 19.368 ( 4.372 4.856 0.000) 6.534 19.560 ( 3.638 1.156 0.000) 3.818 23.868 ( 2.298 -15.512 0.000) 15.681 24.027 ( 8.722 -18.988 0.000) 20.895 26.964 ( -17.819 -0.002 0.000) 17.819 27.035 ( -26.809 -3.437 0.000) 27.028 28.562 ( -9.720 0.635 0.000) 9.741 28.728 ( -16.098 1.193 0.000) 16.143 29.596 ( 3.315 -0.663 0.000) 3.380 29.684 ( -2.208 4.082 0.000) 4.641 30.397 ( 1.960 -0.670 0.000) 2.071 30.459 ( 8.495 -2.777 0.000) 8.938 32.402 ( -0.723 -0.876 0.000) 1.135 32.630 ( 1.338 7.779 0.000) 7.893 32.726 ( 0.557 -2.080 0.000) 2.154 32.974 ( -0.330 -1.362 0.000) 1.401 33.715 ( 3.301 -7.087 0.000) 7.818 34.921 ( -8.606 6.903 0.000) 11.033 35.824 ( 17.756 -13.288 0.000) 22.178 35.957 ( 16.774 3.117 0.000) 17.061 ======================= Grid point 37 (26/93) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -40.517 6.803 0.000) 41.084 1.937 ( -8.860 13.765 0.000) 16.370 2.668 ( 2.041 -1.108 0.000) 2.323 2.686 ( -14.743 5.114 0.000) 15.605 3.071 ( 3.728 -1.611 0.000) 4.061 3.544 ( 5.676 -6.447 0.000) 8.590 3.564 ( -2.631 13.394 0.000) 13.650 3.776 ( -4.698 4.625 0.000) 6.593 4.047 ( 5.260 14.532 0.000) 15.454 4.180 ( 3.232 -8.202 0.000) 8.816 4.432 ( -0.821 -6.608 0.000) 6.658 4.518 ( -7.860 4.307 0.000) 8.962 4.584 ( -3.451 -3.896 0.000) 5.204 4.984 ( -1.210 2.101 0.000) 2.425 5.045 ( -2.695 15.632 0.000) 15.862 5.375 ( 5.275 -6.784 0.000) 8.593 5.660 ( -2.197 2.532 0.000) 3.352 5.695 ( -3.838 5.606 0.000) 6.794 5.773 ( -7.307 7.458 0.000) 10.441 5.935 ( -4.517 8.001 0.000) 9.188 6.001 ( 5.354 9.232 0.000) 10.672 6.460 ( 3.440 11.353 0.000) 11.863 6.488 ( 8.410 -0.472 0.000) 8.423 6.572 ( 1.123 -11.670 0.000) 11.724 6.589 ( 6.550 3.134 0.000) 7.262 6.687 ( -5.776 2.131 0.000) 6.156 7.136 ( -11.942 8.966 0.000) 14.933 7.252 ( 6.917 2.771 0.000) 7.452 7.375 ( -3.396 9.902 0.000) 10.468 7.499 ( -10.848 11.768 0.000) 16.005 7.575 ( 0.293 3.472 0.000) 3.484 8.165 ( -1.941 -0.686 0.000) 2.058 8.590 ( 1.704 -10.553 0.000) 10.689 8.746 ( 1.864 -1.042 0.000) 2.135 8.979 ( -2.194 -12.990 0.000) 13.173 9.249 ( -1.238 -7.346 0.000) 7.450 9.616 ( -1.934 2.850 0.000) 3.444 9.974 ( -6.936 -4.460 0.000) 8.246 10.000 ( -0.799 -7.178 0.000) 7.222 10.352 ( 3.480 -2.070 0.000) 4.049 10.600 ( 2.266 -3.050 0.000) 3.799 10.746 ( 1.551 -5.301 0.000) 5.523 11.026 ( -0.538 -4.334 0.000) 4.367 11.612 ( 2.909 -6.693 0.000) 7.298 13.284 ( -2.023 -5.343 0.000) 5.713 13.794 ( -0.276 -2.386 0.000) 2.402 13.805 ( -0.140 2.433 0.000) 2.437 13.883 ( 0.891 2.251 0.000) 2.421 15.136 ( -4.875 -1.186 0.000) 5.017 15.894 ( 1.715 0.289 0.000) 1.739 16.077 ( 1.096 2.970 0.000) 3.166 16.091 ( -0.469 4.066 0.000) 4.093 16.157 ( -2.382 1.015 0.000) 2.589 16.511 ( 0.909 5.201 0.000) 5.279 16.948 ( 2.333 0.941 0.000) 2.516 16.969 ( 3.389 3.242 0.000) 4.690 18.654 ( -1.954 5.903 0.000) 6.218 19.215 ( -2.137 4.200 0.000) 4.712 19.379 ( 3.923 4.630 0.000) 6.069 19.602 ( 1.840 -1.576 0.000) 2.422 24.095 ( 2.430 -16.189 0.000) 16.370 24.427 ( 8.757 -25.992 0.000) 27.428 26.712 ( -19.084 -2.144 0.000) 19.204 26.744 ( -10.238 0.468 0.000) 10.249 28.404 ( -8.253 1.035 0.000) 8.318 28.517 ( -8.864 1.921 0.000) 9.070 29.614 ( -0.789 4.240 0.000) 4.313 29.662 ( 3.175 -1.124 0.000) 3.368 30.432 ( 0.924 -1.549 0.000) 1.804 30.597 ( 4.400 -3.966 0.000) 5.924 32.404 ( -0.357 -0.765 0.000) 0.845 32.561 ( 0.619 6.727 0.000) 6.756 32.759 ( 0.149 -2.726 0.000) 2.730 32.953 ( -0.120 4.169 0.000) 4.171 33.846 ( 1.026 -9.874 0.000) 9.927 34.732 ( -3.680 10.024 0.000) 10.678 36.149 ( 11.431 1.359 0.000) 11.511 36.228 ( 10.079 -19.679 0.000) 22.109 ======================= Grid point 38 (27/93) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.000 11.256 0.000) 11.256 1.664 ( 0.000 20.564 0.000) 20.564 2.483 ( 0.000 8.356 0.000) 8.356 2.744 ( -0.000 -8.447 0.000) 8.447 2.997 ( 0.000 17.013 0.000) 17.013 3.371 ( 0.000 16.269 0.000) 16.269 3.606 ( 0.000 17.931 0.000) 17.931 3.667 ( -0.000 -7.000 0.000) 7.000 3.960 ( 0.000 7.076 0.000) 7.076 4.342 ( 0.000 17.562 0.000) 17.562 4.394 ( 0.000 5.673 0.000) 5.673 4.442 ( -0.000 -25.155 0.000) 25.155 4.584 ( -0.000 -2.554 0.000) 2.554 4.846 ( 0.000 13.543 0.000) 13.543 4.939 ( 0.000 5.890 0.000) 5.890 5.510 ( -0.000 -5.846 0.000) 5.846 5.529 ( 0.000 13.322 0.000) 13.322 5.620 ( 0.000 2.820 0.000) 2.820 5.773 ( -0.000 -17.099 0.000) 17.099 5.786 ( 0.000 9.296 0.000) 9.296 5.921 ( 0.000 11.203 0.000) 11.203 6.283 ( 0.000 16.182 0.000) 16.182 6.501 ( 0.000 8.753 0.000) 8.753 6.656 ( -0.000 -0.684 0.000) 0.684 6.665 ( -0.000 -9.177 0.000) 9.177 6.804 ( -0.000 -13.990 0.000) 13.990 6.915 ( 0.000 8.599 0.000) 8.599 7.197 ( 0.000 12.899 0.000) 12.899 7.240 ( 0.000 11.529 0.000) 11.529 7.287 ( 0.000 3.499 0.000) 3.499 7.539 ( 0.000 3.765 0.000) 3.765 8.148 ( 0.000 1.381 0.000) 1.381 8.714 ( -0.000 -5.870 0.000) 5.870 8.791 ( -0.000 -6.471 0.000) 6.471 9.141 ( -0.000 -17.061 0.000) 17.061 9.355 ( -0.000 -9.547 0.000) 9.547 9.574 ( 0.000 1.999 0.000) 1.999 9.962 ( -0.000 -4.354 0.000) 4.354 10.075 ( -0.000 -6.847 0.000) 6.847 10.405 ( -0.000 -2.355 0.000) 2.355 10.654 ( -0.000 -2.781 0.000) 2.781 10.824 ( -0.000 -6.037 0.000) 6.037 11.080 ( -0.000 -5.149 0.000) 5.149 11.720 ( -0.000 -7.520 0.000) 7.520 13.330 ( -0.000 -5.235 0.000) 5.235 13.770 ( 0.000 3.405 0.000) 3.405 13.813 ( -0.000 -0.980 0.000) 0.980 13.855 ( 0.000 3.589 0.000) 3.589 15.115 ( -0.000 -1.501 0.000) 1.501 15.903 ( 0.000 0.396 0.000) 0.396 16.018 ( 0.000 4.111 0.000) 4.111 16.078 ( 0.000 1.442 0.000) 1.442 16.126 ( 0.000 0.999 0.000) 0.999 16.448 ( 0.000 6.074 0.000) 6.074 16.945 ( 0.000 3.087 0.000) 3.087 16.962 ( 0.000 2.891 0.000) 2.891 18.579 ( 0.000 4.154 0.000) 4.154 19.159 ( 0.000 2.405 0.000) 2.405 19.365 ( 0.000 3.653 0.000) 3.653 19.654 ( -0.000 -4.834 0.000) 4.834 24.281 ( -0.000 -11.251 0.000) 11.251 24.845 ( -0.000 -30.980 0.000) 30.980 26.555 ( 0.000 0.336 0.000) 0.336 26.656 ( 0.000 0.799 0.000) 0.799 28.321 ( 0.000 1.392 0.000) 1.392 28.425 ( 0.000 2.144 0.000) 2.144 29.558 ( 0.000 4.598 0.000) 4.598 29.706 ( -0.000 -2.303 0.000) 2.303 30.459 ( -0.000 -1.853 0.000) 1.853 30.678 ( -0.000 -3.971 0.000) 3.971 32.408 ( -0.000 -0.421 0.000) 0.421 32.493 ( 0.000 5.785 0.000) 5.785 32.794 ( -0.000 -3.187 0.000) 3.187 32.882 ( 0.000 7.678 0.000) 7.678 33.978 ( -0.000 -11.891 0.000) 11.891 34.569 ( 0.000 13.561 0.000) 13.561 36.243 ( -0.000 -0.511 0.000) 0.511 36.568 ( -0.000 -24.948 0.000) 24.948 ======================= Grid point 45 (28/93) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -12.882 0.000 0.000) 12.882 2.532 ( -40.529 0.000 0.000) 40.529 2.548 ( 8.496 -0.000 0.000) 8.496 2.866 ( 3.796 -0.000 0.000) 3.796 3.020 ( -18.359 0.000 0.000) 18.359 3.488 ( 4.731 -0.000 0.000) 4.731 3.495 ( 5.037 -0.000 0.000) 5.037 3.877 ( -4.767 0.000 0.000) 4.767 3.963 ( -6.709 0.000 0.000) 6.709 4.350 ( 6.590 -0.000 0.000) 6.590 4.392 ( -5.229 0.000 0.000) 5.229 4.606 ( -8.860 0.000 0.000) 8.860 4.670 ( -4.969 0.000 0.000) 4.969 5.048 ( 2.889 -0.000 0.000) 2.889 5.471 ( 7.697 -0.000 0.000) 7.697 5.484 ( 6.537 -0.000 0.000) 6.537 5.547 ( -8.767 0.000 0.000) 8.767 5.786 ( -12.361 0.000 0.000) 12.361 5.964 ( 11.445 -0.000 0.000) 11.445 5.989 ( 13.390 -0.000 0.000) 13.390 6.033 ( -7.113 0.000 0.000) 7.113 6.278 ( -10.816 0.000 0.000) 10.816 6.329 ( 13.473 -0.000 0.000) 13.473 6.690 ( 6.118 -0.000 0.000) 6.118 6.811 ( -8.300 0.000 0.000) 8.300 6.867 ( -1.744 0.000 0.000) 1.744 7.143 ( 10.605 -0.000 0.000) 10.605 7.307 ( -6.227 0.000 0.000) 6.227 7.615 ( 1.008 -0.000 0.000) 1.008 7.834 ( -6.996 0.000 0.000) 6.996 7.935 ( -2.975 0.000 0.000) 2.975 8.171 ( -4.827 0.000 0.000) 4.827 8.363 ( -9.191 0.000 0.000) 9.191 8.680 ( 5.620 -0.000 0.000) 5.620 8.811 ( -6.799 0.000 0.000) 6.799 9.206 ( -8.696 0.000 0.000) 8.696 9.791 ( -2.944 0.000 0.000) 2.944 9.810 ( -3.297 0.000 0.000) 3.297 10.001 ( -8.204 0.000 0.000) 8.204 10.234 ( 6.174 -0.000 0.000) 6.174 10.500 ( 2.476 -0.000 0.000) 2.476 10.599 ( 3.654 -0.000 0.000) 3.654 10.975 ( -3.378 0.000 0.000) 3.378 11.439 ( 3.162 -0.000 0.000) 3.162 13.211 ( -3.187 0.000 0.000) 3.187 13.738 ( -0.008 0.000 0.000) 0.008 13.847 ( -0.222 0.000 0.000) 0.222 13.882 ( 3.167 -0.000 0.000) 3.167 15.227 ( -9.473 0.000 0.000) 9.473 15.862 ( 2.558 -0.000 0.000) 2.558 16.060 ( 2.896 -0.000 0.000) 2.896 16.233 ( -4.169 0.000 0.000) 4.169 16.249 ( 0.005 -0.000 0.000) 0.005 16.547 ( 4.804 -0.000 0.000) 4.804 16.891 ( 2.454 -0.000 0.000) 2.454 17.003 ( 3.008 -0.000 0.000) 3.008 18.833 ( -5.033 0.000 0.000) 5.033 19.386 ( -1.025 0.000 0.000) 1.025 19.407 ( 1.359 -0.000 0.000) 1.359 19.609 ( 5.410 -0.000 0.000) 5.410 23.655 ( 1.628 -0.000 0.000) 1.628 23.782 ( 7.219 -0.000 0.000) 7.219 26.964 ( -17.547 0.000 0.000) 17.547 26.998 ( -25.212 0.000 0.000) 25.212 28.570 ( -9.610 0.000 0.000) 9.610 28.741 ( -15.817 0.000 0.000) 15.817 29.589 ( 3.603 -0.000 0.000) 3.603 29.734 ( -3.469 0.000 0.000) 3.469 30.390 ( 1.499 -0.000 0.000) 1.499 30.425 ( 8.093 -0.000 0.000) 8.093 32.390 ( -0.745 0.000 0.000) 0.745 32.702 ( 0.782 -0.000 0.000) 0.782 32.811 ( 0.269 -0.000 0.000) 0.269 32.855 ( 1.310 -0.000 0.000) 1.310 33.647 ( 4.425 -0.000 0.000) 4.425 35.001 ( -8.901 0.000 0.000) 8.901 35.665 ( 17.480 -0.000 0.000) 17.480 35.991 ( 14.793 -0.000 0.000) 14.793 ======================= Grid point 47 (29/93) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -36.729 1.965 0.000) 36.781 2.142 ( -7.358 4.441 0.000) 8.594 2.736 ( 3.427 -13.855 0.000) 14.273 2.764 ( -12.126 0.884 0.000) 12.159 2.845 ( 2.539 11.987 0.000) 12.253 3.462 ( 4.740 2.453 0.000) 5.337 3.754 ( 2.110 -9.558 0.000) 9.789 3.787 ( -2.900 5.117 0.000) 5.881 3.911 ( -5.310 -17.186 0.000) 17.988 4.280 ( -1.920 7.682 0.000) 7.918 4.381 ( 2.026 6.486 0.000) 6.795 4.516 ( -4.068 -1.806 0.000) 4.451 4.580 ( -6.016 0.929 0.000) 6.087 5.082 ( 1.016 0.875 0.000) 1.341 5.349 ( 0.465 8.782 0.000) 8.794 5.436 ( 0.041 14.843 0.000) 14.843 5.664 ( -4.147 -2.576 0.000) 4.882 5.671 ( 1.681 -8.668 0.000) 8.830 5.906 ( -7.868 2.099 0.000) 8.143 6.070 ( -3.309 2.761 0.000) 4.310 6.161 ( 10.352 3.615 0.000) 10.965 6.266 ( 7.535 -8.294 0.000) 11.206 6.514 ( 11.236 1.267 0.000) 11.307 6.666 ( -6.743 3.108 0.000) 7.425 6.733 ( 2.768 6.206 0.000) 6.795 6.786 ( -3.576 4.059 0.000) 5.409 7.206 ( -8.512 -0.234 0.000) 8.515 7.292 ( 8.333 0.794 0.000) 8.371 7.606 ( 0.724 4.158 0.000) 4.220 7.696 ( -3.218 7.508 0.000) 8.168 7.793 ( -6.283 12.122 0.000) 13.653 8.127 ( -2.449 -1.429 0.000) 2.836 8.317 ( -4.138 -11.454 0.000) 12.179 8.746 ( 2.956 0.255 0.000) 2.967 8.763 ( -3.476 -5.447 0.000) 6.462 9.109 ( -5.596 -3.589 0.000) 6.648 9.704 ( -1.713 4.752 0.000) 5.051 9.839 ( -1.099 -6.443 0.000) 6.536 9.911 ( -4.569 -1.177 0.000) 4.719 10.317 ( 3.701 -0.832 0.000) 3.793 10.539 ( 1.474 -1.719 0.000) 2.265 10.655 ( 1.950 -2.159 0.000) 2.909 10.952 ( -1.115 -1.725 0.000) 2.054 11.494 ( 1.916 -2.904 0.000) 3.479 13.188 ( -1.751 -2.424 0.000) 2.990 13.743 ( -0.273 -1.396 0.000) 1.423 13.840 ( -0.116 0.730 0.000) 0.740 13.915 ( 1.566 0.633 0.000) 1.689 15.116 ( -5.181 -0.460 0.000) 5.202 15.900 ( 2.235 0.179 0.000) 2.242 16.098 ( 2.044 0.373 0.000) 2.078 16.174 ( -3.002 0.400 0.000) 3.029 16.224 ( -0.051 4.220 0.000) 4.220 16.593 ( 2.353 1.765 0.000) 2.941 16.929 ( 1.434 -1.456 0.000) 2.043 17.027 ( 1.662 1.480 0.000) 2.226 18.756 ( -2.955 2.184 0.000) 3.675 19.343 ( -0.812 4.869 0.000) 4.936 19.424 ( 0.994 -0.038 0.000) 0.995 19.652 ( 3.056 3.480 0.000) 4.632 23.743 ( 1.563 -10.328 0.000) 10.445 23.953 ( 5.539 -12.113 0.000) 13.320 26.685 ( -15.553 -0.449 0.000) 15.559 26.752 ( -9.828 0.174 0.000) 9.829 28.422 ( -7.938 0.466 0.000) 7.951 28.550 ( -8.535 0.784 0.000) 8.571 29.649 ( 3.309 -0.155 0.000) 3.313 29.684 ( -1.661 1.622 0.000) 2.321 30.407 ( 0.551 -0.526 0.000) 0.762 30.526 ( 3.969 -1.737 0.000) 4.332 32.386 ( -0.250 -0.544 0.000) 0.599 32.717 ( 0.383 -0.919 0.000) 0.995 32.739 ( 0.561 8.249 0.000) 8.268 32.931 ( 0.169 -5.592 0.000) 5.595 33.710 ( 2.260 -2.154 0.000) 3.122 34.886 ( -3.928 3.327 0.000) 5.148 35.912 ( 9.338 -7.142 0.000) 11.756 36.167 ( 8.593 0.342 0.000) 8.600 ======================= Grid point 48 (30/93) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.000 5.932 0.000) 5.932 2.005 ( 0.000 9.229 0.000) 9.229 2.623 ( 0.000 3.922 0.000) 3.922 2.731 ( 0.000 8.820 0.000) 8.820 2.974 ( -0.000 -17.725 0.000) 17.725 3.520 ( -0.000 -4.522 0.000) 4.522 3.678 ( 0.000 9.625 0.000) 9.625 3.762 ( 0.000 0.619 0.000) 0.619 4.187 ( 0.000 5.124 0.000) 5.124 4.200 ( -0.000 -26.378 0.000) 26.378 4.268 ( 0.000 13.713 0.000) 13.713 4.497 ( 0.000 2.469 0.000) 2.469 4.517 ( -0.000 -2.174 0.000) 2.174 5.039 ( 0.000 6.569 0.000) 6.569 5.233 ( 0.000 18.197 0.000) 18.197 5.342 ( -0.000 -4.098 0.000) 4.098 5.656 ( -0.000 -0.164 0.000) 0.164 5.750 ( 0.000 0.458 0.000) 0.458 5.768 ( 0.000 6.714 0.000) 6.714 5.975 ( 0.000 6.422 0.000) 6.422 6.172 ( 0.000 9.025 0.000) 9.025 6.454 ( -0.000 -11.159 0.000) 11.159 6.585 ( 0.000 3.898 0.000) 3.898 6.617 ( 0.000 6.597 0.000) 6.597 6.626 ( 0.000 0.878 0.000) 0.878 6.714 ( 0.000 6.247 0.000) 6.247 7.081 ( 0.000 5.288 0.000) 5.288 7.349 ( 0.000 1.593 0.000) 1.593 7.514 ( 0.000 12.439 0.000) 12.439 7.557 ( 0.000 15.412 0.000) 15.412 7.613 ( 0.000 3.479 0.000) 3.479 8.130 ( -0.000 -2.190 0.000) 2.190 8.450 ( -0.000 -13.962 0.000) 13.962 8.762 ( 0.000 0.461 0.000) 0.461 8.827 ( -0.000 -9.778 0.000) 9.778 9.137 ( -0.000 -7.940 0.000) 7.940 9.640 ( 0.000 3.872 0.000) 3.872 9.890 ( -0.000 -1.782 0.000) 1.782 9.911 ( -0.000 -7.081 0.000) 7.081 10.359 ( -0.000 -1.463 0.000) 1.463 10.581 ( -0.000 -3.083 0.000) 3.083 10.705 ( -0.000 -3.853 0.000) 3.853 10.975 ( -0.000 -3.438 0.000) 3.438 11.560 ( -0.000 -5.600 0.000) 5.600 13.213 ( -0.000 -4.232 0.000) 4.232 13.763 ( -0.000 -2.361 0.000) 2.361 13.826 ( 0.000 1.541 0.000) 1.541 13.914 ( 0.000 1.595 0.000) 1.595 15.085 ( -0.000 -0.982 0.000) 0.982 15.915 ( 0.000 0.503 0.000) 0.503 16.106 ( 0.000 0.889 0.000) 0.889 16.144 ( 0.000 0.511 0.000) 0.511 16.158 ( 0.000 6.634 0.000) 6.634 16.575 ( 0.000 4.114 0.000) 4.114 16.960 ( -0.000 -1.390 0.000) 1.390 17.022 ( 0.000 2.020 0.000) 2.020 18.697 ( 0.000 4.255 0.000) 4.255 19.265 ( 0.000 6.555 0.000) 6.555 19.433 ( 0.000 0.664 0.000) 0.664 19.632 ( 0.000 3.338 0.000) 3.338 23.918 ( -0.000 -16.584 0.000) 16.584 24.204 ( -0.000 -22.339 0.000) 22.339 26.561 ( 0.000 0.196 0.000) 0.196 26.671 ( 0.000 0.482 0.000) 0.482 28.350 ( 0.000 0.948 0.000) 0.948 28.470 ( 0.000 1.586 0.000) 1.586 29.646 ( 0.000 2.801 0.000) 2.801 29.679 ( -0.000 -0.421 0.000) 0.421 30.421 ( -0.000 -1.196 0.000) 1.196 30.586 ( -0.000 -3.331 0.000) 3.331 32.393 ( -0.000 -0.784 0.000) 0.784 32.651 ( 0.000 7.767 0.000) 7.767 32.735 ( -0.000 -1.780 0.000) 1.780 32.971 ( -0.000 -1.042 0.000) 1.042 33.769 ( -0.000 -5.364 0.000) 5.364 34.800 ( 0.000 6.557 0.000) 6.557 36.107 ( -0.000 -14.089 0.000) 14.089 36.236 ( -0.000 -0.182 0.000) 0.182 ======================= Grid point 58 (31/93) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -0.000 -0.000 0.000) 0.000 2.112 ( -0.000 -0.000 0.000) 0.000 2.668 ( -0.000 -0.000 0.000) 0.000 2.681 ( -0.000 -0.000 0.000) 0.000 2.952 ( -0.000 -0.000 0.000) 0.000 3.591 ( -0.000 -0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.762 ( -0.000 -0.000 0.000) 0.000 3.794 ( -0.000 -0.000 0.000) 0.000 4.306 ( -0.000 -0.000 0.000) 0.000 4.439 ( -0.000 -0.000 0.000) 0.000 4.472 ( -0.000 -0.000 0.000) 0.000 4.541 ( -0.000 -0.000 0.000) 0.000 5.095 ( -0.000 -0.000 0.000) 0.000 5.396 ( -0.000 -0.000 0.000) 0.000 5.567 ( -0.000 -0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.842 ( -0.000 -0.000 0.000) 0.000 6.054 ( -0.000 -0.000 0.000) 0.000 6.284 ( -0.000 -0.000 0.000) 0.000 6.294 ( -0.000 -0.000 0.000) 0.000 6.603 ( -0.000 -0.000 0.000) 0.000 6.633 ( -0.000 -0.000 0.000) 0.000 6.752 ( -0.000 -0.000 0.000) 0.000 6.802 ( -0.000 -0.000 0.000) 0.000 7.144 ( -0.000 -0.000 0.000) 0.000 7.364 ( -0.000 -0.000 0.000) 0.000 7.632 ( -0.000 -0.000 0.000) 0.000 7.713 ( -0.000 -0.000 0.000) 0.000 7.848 ( -0.000 -0.000 0.000) 0.000 8.103 ( -0.000 -0.000 0.000) 0.000 8.178 ( -0.000 -0.000 0.000) 0.000 8.702 ( -0.000 -0.000 0.000) 0.000 8.772 ( -0.000 -0.000 0.000) 0.000 9.039 ( -0.000 -0.000 0.000) 0.000 9.741 ( -0.000 -0.000 0.000) 0.000 9.772 ( -0.000 -0.000 0.000) 0.000 9.872 ( -0.000 -0.000 0.000) 0.000 10.342 ( -0.000 -0.000 0.000) 0.000 10.539 ( -0.000 -0.000 0.000) 0.000 10.659 ( -0.000 -0.000 0.000) 0.000 10.934 ( -0.000 -0.000 0.000) 0.000 11.490 ( -0.000 -0.000 0.000) 0.000 13.160 ( -0.000 -0.000 0.000) 0.000 13.732 ( -0.000 -0.000 0.000) 0.000 13.844 ( -0.000 -0.000 0.000) 0.000 13.932 ( -0.000 -0.000 0.000) 0.000 15.073 ( -0.000 -0.000 0.000) 0.000 15.921 ( -0.000 -0.000 0.000) 0.000 16.117 ( -0.000 -0.000 0.000) 0.000 16.150 ( -0.000 -0.000 0.000) 0.000 16.251 ( -0.000 -0.000 0.000) 0.000 16.623 ( -0.000 -0.000 0.000) 0.000 16.929 ( -0.000 -0.000 0.000) 0.000 17.046 ( -0.000 -0.000 0.000) 0.000 18.744 ( -0.000 -0.000 0.000) 0.000 19.369 ( -0.000 -0.000 0.000) 0.000 19.429 ( -0.000 -0.000 0.000) 0.000 19.698 ( -0.000 -0.000 0.000) 0.000 23.692 ( -0.000 -0.000 0.000) 0.000 23.924 ( -0.000 -0.000 0.000) 0.000 26.563 ( -0.000 -0.000 0.000) 0.000 26.677 ( -0.000 -0.000 0.000) 0.000 28.361 ( -0.000 -0.000 0.000) 0.000 28.490 ( -0.000 -0.000 0.000) 0.000 29.675 ( -0.000 -0.000 0.000) 0.000 29.680 ( -0.000 -0.000 0.000) 0.000 30.408 ( -0.000 -0.000 0.000) 0.000 30.545 ( -0.000 -0.000 0.000) 0.000 32.381 ( -0.000 -0.000 0.000) 0.000 32.714 ( -0.000 -0.000 0.000) 0.000 32.815 ( -0.000 -0.000 0.000) 0.000 32.875 ( 0.000 0.000 0.000) 0.000 33.717 ( -0.000 -0.000 0.000) 0.000 34.876 ( -0.000 -0.000 0.000) 0.000 35.941 ( -0.000 -0.000 0.000) 0.000 36.233 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/93) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 0.000 30.867) 30.867 0.694 ( 0.000 0.000 31.370) 31.370 1.585 ( 0.000 0.000 71.701) 71.701 1.598 ( 0.000 0.000 -7.439) 7.439 1.762 ( 0.000 0.000 -17.260) 17.260 2.247 ( 0.000 0.000 1.102) 1.102 2.481 ( 0.000 0.000 -10.370) 10.370 3.814 ( 0.000 0.000 3.671) 3.671 3.947 ( 0.000 0.000 -1.723) 1.723 4.011 ( 0.000 0.000 -26.925) 26.925 4.035 ( 0.000 0.000 16.058) 16.058 4.337 ( 0.000 0.000 -17.337) 17.337 4.735 ( 0.000 0.000 6.780) 6.780 4.836 ( 0.000 0.000 -13.071) 13.071 4.999 ( 0.000 0.000 8.185) 8.185 5.016 ( 0.000 0.000 2.934) 2.934 5.312 ( 0.000 0.000 -4.248) 4.248 5.330 ( 0.000 0.000 -17.515) 17.515 5.387 ( 0.000 0.000 2.467) 2.467 5.766 ( 0.000 0.000 -6.656) 6.656 5.867 ( 0.000 0.000 23.828) 23.828 6.203 ( 0.000 0.000 9.478) 9.478 6.465 ( 0.000 0.000 -2.935) 2.935 6.595 ( 0.000 0.000 8.151) 8.151 6.743 ( 0.000 0.000 -7.553) 7.553 6.805 ( 0.000 0.000 5.141) 5.141 7.007 ( 0.000 0.000 0.265) 0.265 7.068 ( 0.000 0.000 -4.571) 4.571 7.080 ( 0.000 0.000 -14.512) 14.512 7.407 ( 0.000 0.000 -12.723) 12.723 7.692 ( 0.000 0.000 10.377) 10.377 7.833 ( 0.000 0.000 4.631) 4.631 8.869 ( 0.000 0.000 4.869) 4.869 9.261 ( 0.000 0.000 -9.085) 9.085 9.631 ( 0.000 0.000 8.920) 8.920 10.099 ( 0.000 0.000 -9.343) 9.343 10.145 ( 0.000 0.000 13.209) 13.209 10.435 ( 0.000 0.000 6.486) 6.486 10.626 ( 0.000 0.000 -0.535) 0.535 10.626 ( 0.000 0.000 0.638) 0.638 10.650 ( 0.000 0.000 -6.448) 6.448 10.897 ( 0.000 0.000 -12.681) 12.681 11.532 ( 0.000 0.000 13.352) 13.352 11.961 ( 0.000 0.000 -5.612) 5.612 13.397 ( 0.000 0.000 -0.585) 0.585 13.400 ( 0.000 0.000 -1.213) 1.213 13.549 ( 0.000 0.000 2.526) 2.526 13.630 ( 0.000 0.000 -0.942) 0.942 15.247 ( 0.000 0.000 5.822) 5.822 15.703 ( 0.000 0.000 -14.654) 14.654 15.997 ( 0.000 0.000 3.277) 3.277 16.226 ( 0.000 0.000 -6.083) 6.083 16.354 ( 0.000 0.000 14.123) 14.123 16.536 ( 0.000 0.000 2.113) 2.113 16.551 ( 0.000 0.000 0.677) 0.677 16.787 ( 0.000 0.000 -5.489) 5.489 18.975 ( 0.000 0.000 4.810) 4.810 19.248 ( 0.000 0.000 -5.707) 5.707 19.255 ( 0.000 0.000 2.238) 2.238 19.359 ( 0.000 0.000 -1.239) 1.239 24.895 ( 0.000 0.000 2.442) 2.442 25.025 ( 0.000 0.000 -2.387) 2.387 26.548 ( 0.000 0.000 1.000) 1.000 26.603 ( 0.000 0.000 -1.059) 1.059 28.272 ( 0.000 0.000 1.100) 1.100 28.330 ( 0.000 0.000 -1.041) 1.041 29.444 ( 0.000 0.000 2.557) 2.557 29.599 ( 0.000 0.000 -3.319) 3.319 30.457 ( 0.000 0.000 3.405) 3.405 30.618 ( 0.000 0.000 -2.703) 2.703 32.408 ( 0.000 0.000 0.303) 0.303 32.441 ( 0.000 0.000 -0.906) 0.906 32.797 ( 0.000 0.000 1.123) 1.123 32.820 ( 0.000 0.000 0.333) 0.333 33.151 ( 0.000 0.000 -0.128) 0.128 33.168 ( 0.000 0.000 -0.667) 0.667 38.034 ( 0.000 0.000 0.427) 0.427 38.055 ( 0.000 0.000 -0.386) 0.386 ======================= Grid point 106 (33/93) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 12.287 -20.009 22.994) 32.864 1.185 ( 38.431 -10.408 20.187) 44.640 1.792 ( 13.380 -8.880 21.760) 27.044 1.858 ( 23.880 -8.784 5.198) 25.970 1.903 ( 16.046 -12.989 8.367) 22.276 2.412 ( 14.020 -8.422 1.749) 16.448 2.586 ( 9.894 -4.074 -9.731) 14.463 3.839 ( 0.786 -2.155 -0.954) 2.485 3.941 ( -4.972 0.783 6.314) 8.074 4.009 ( -4.171 -7.261 -15.495) 17.613 4.063 ( 5.046 -2.413 4.519) 7.190 4.313 ( 4.458 9.406 -17.750) 20.577 4.737 ( -2.996 1.329 0.491) 3.314 4.802 ( -0.830 0.809 -9.343) 9.414 4.942 ( 5.269 0.812 2.778) 6.011 5.162 ( 9.265 0.475 8.649) 12.684 5.349 ( 2.564 -1.025 -2.814) 3.943 5.398 ( 6.275 -1.513 -15.637) 16.917 5.426 ( 5.261 0.193 2.817) 5.971 5.781 ( -4.892 -3.837 16.485) 17.619 5.846 ( 0.529 -7.220 -7.277) 10.265 6.348 ( -0.392 1.819 1.380) 2.316 6.414 ( 3.875 -1.947 -0.593) 4.377 6.651 ( 5.719 4.369 5.328) 8.954 6.711 ( -3.691 1.690 2.916) 4.998 6.908 ( 10.455 3.442 1.993) 11.186 7.048 ( 7.184 1.885 -8.861) 11.562 7.084 ( 2.535 -0.467 -5.717) 6.271 7.266 ( 5.900 -15.255 -17.677) 24.083 7.429 ( 1.887 -7.002 -11.904) 13.939 7.639 ( 2.366 10.282 11.029) 15.262 7.807 ( 1.204 5.440 3.612) 6.640 8.871 ( 0.250 1.154 3.800) 3.979 9.230 ( -3.985 0.688 -8.965) 9.835 9.596 ( -6.591 1.919 10.338) 12.410 9.849 ( -15.411 15.598 18.420) 28.638 10.029 ( -19.898 2.180 11.921) 23.298 10.198 ( 3.871 3.269 1.129) 5.191 10.452 ( 0.777 -0.244 4.649) 4.720 10.610 ( -0.962 1.692 2.817) 3.423 10.841 ( 3.292 5.813 -13.606) 15.158 10.899 ( 6.046 9.696 -7.949) 13.919 11.509 ( -2.076 1.649 12.752) 13.025 11.920 ( -4.223 1.369 -5.324) 6.932 13.401 ( 1.927 -3.146 2.265) 4.329 13.479 ( -0.039 -6.735 -2.206) 7.087 13.565 ( -0.522 -3.786 2.541) 4.589 13.656 ( 1.080 -2.167 -0.705) 2.521 15.337 ( 10.100 3.068 0.024) 10.555 15.708 ( 0.380 -1.083 -14.276) 14.322 15.975 ( -0.035 2.465 4.183) 4.856 16.210 ( 0.191 3.215 -5.205) 6.121 16.347 ( -1.430 -0.668 12.089) 12.191 16.502 ( 1.577 6.354 0.487) 6.565 16.540 ( 2.330 2.952 0.893) 3.865 16.775 ( -2.370 0.185 -4.765) 5.325 18.921 ( 1.692 9.521 3.936) 10.441 19.073 ( 0.508 8.209 -0.886) 8.272 19.293 ( -6.968 -4.910 3.865) 9.359 19.508 ( -6.481 -21.055 -7.923) 23.411 24.299 ( -21.833 4.966 26.092) 34.382 24.965 ( -37.458 -25.854 -8.058) 46.222 26.738 ( 16.342 0.289 3.046) 16.626 27.441 ( 66.533 18.071 -45.850) 82.798 28.374 ( 10.814 -0.704 1.065) 10.889 28.463 ( 18.284 2.434 -2.811) 18.658 29.430 ( 1.257 2.298 5.030) 5.671 29.697 ( 0.709 -9.431 -10.675) 14.262 30.448 ( -2.370 -1.369 2.700) 3.845 30.582 ( -5.079 -1.092 -2.587) 5.803 32.401 ( 0.313 1.507 0.344) 1.577 32.425 ( 0.466 2.116 -0.327) 2.191 32.634 ( 2.000 7.737 7.513) 10.968 32.950 ( 1.693 4.703 -9.365) 10.616 33.300 ( 3.041 -27.087 -1.694) 27.310 33.460 ( 3.593 -32.223 -7.867) 33.364 37.007 ( -73.919 19.775 59.370) 96.850 37.794 ( -21.222 11.429 -3.312) 24.330 ======================= Grid point 107 (34/93) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 16.592 -12.992 17.205) 27.205 1.855 ( 23.617 -22.177 16.381) 36.303 2.050 ( 9.687 -10.137 -9.688) 17.043 2.419 ( 29.824 -10.508 -2.904) 31.754 2.561 ( 35.220 -21.184 25.111) 48.164 2.804 ( 20.354 -7.742 0.576) 21.785 2.848 ( 18.333 -6.663 -4.601) 20.041 3.797 ( -9.503 2.491 4.722) 10.900 3.861 ( -0.256 3.924 0.792) 4.012 3.995 ( -10.216 -12.021 -9.214) 18.270 4.221 ( 9.447 -2.830 -2.880) 10.274 4.335 ( 10.951 4.170 -7.797) 14.075 4.637 ( -4.360 4.158 -5.022) 7.844 4.824 ( 3.854 -1.328 -8.942) 9.827 5.110 ( 14.172 -0.453 1.423) 14.251 5.267 ( 4.938 0.034 9.336) 10.562 5.378 ( 2.203 3.330 4.988) 6.389 5.486 ( 3.038 -2.663 -2.991) 5.026 5.571 ( 7.763 -6.047 -5.610) 11.327 5.788 ( -0.394 -5.428 8.964) 10.487 5.961 ( 2.551 -6.303 -13.517) 15.131 6.275 ( -4.948 -1.979 -4.042) 6.689 6.501 ( -3.867 -2.142 3.907) 5.900 6.577 ( -3.259 -3.368 1.626) 4.961 6.668 ( 3.003 12.980 1.864) 13.453 6.939 ( 7.175 6.302 10.571) 14.246 7.092 ( 0.174 -1.180 -8.485) 8.568 7.261 ( 12.721 5.259 -4.239) 14.403 7.320 ( 1.887 5.812 -5.353) 8.124 7.574 ( 6.542 3.419 -0.132) 7.383 7.735 ( 10.164 -7.971 -7.257) 14.816 7.781 ( 6.642 2.254 -1.622) 7.199 8.820 ( -2.930 4.620 2.518) 6.023 9.090 ( -13.133 1.950 -0.233) 13.279 9.366 ( -6.731 5.541 15.020) 17.367 9.677 ( -2.201 4.332 6.166) 7.851 9.806 ( -7.288 2.581 8.582) 11.551 10.201 ( 0.632 2.436 -3.388) 4.221 10.450 ( -0.835 0.692 2.870) 3.068 10.550 ( -2.500 4.119 4.453) 6.561 10.782 ( -4.337 1.998 -12.117) 13.024 10.827 ( 1.217 10.270 -5.649) 11.784 11.437 ( -3.764 2.495 12.051) 12.869 11.805 ( -7.636 2.604 -4.293) 9.139 13.494 ( 3.038 -5.202 2.482) 6.515 13.554 ( 1.075 -5.073 -0.479) 5.208 13.618 ( -0.056 -5.864 1.909) 6.167 13.703 ( 1.629 -2.323 -0.188) 2.843 15.445 ( 10.686 4.997 0.147) 11.797 15.747 ( 2.169 -2.120 -13.018) 13.367 15.949 ( 0.180 2.359 3.773) 4.454 16.168 ( 2.020 6.151 -4.244) 7.741 16.329 ( -2.904 -2.015 10.387) 10.971 16.473 ( 2.865 4.712 -0.628) 5.550 16.539 ( 1.830 2.913 -1.089) 3.608 16.706 ( -6.741 -0.393 -3.397) 7.558 18.845 ( 3.159 9.426 3.333) 10.485 19.013 ( -0.800 3.477 -4.121) 5.451 19.261 ( -3.329 -3.934 6.514) 8.306 19.582 ( -5.337 -8.263 -7.727) 12.509 24.122 ( -12.495 -12.249 15.057) 23.084 24.666 ( -28.872 -13.173 -7.095) 32.519 27.045 ( 24.301 1.463 7.630) 25.513 27.904 ( 34.368 22.741 -29.962) 50.951 28.551 ( 9.794 -1.919 1.211) 10.053 28.723 ( 19.430 6.664 -7.104) 21.735 29.440 ( 3.562 2.084 6.750) 7.912 29.753 ( 0.991 1.461 -9.029) 9.200 30.411 ( -5.173 -1.932 1.286) 5.670 30.496 ( -9.473 -2.872 -2.787) 10.284 32.395 ( 1.222 1.057 0.474) 1.684 32.423 ( 0.768 -0.010 -0.489) 0.911 32.626 ( 2.230 1.006 4.718) 5.314 32.916 ( 2.550 5.833 -8.007) 10.229 33.685 ( 6.203 -26.589 -1.477) 27.343 33.895 ( 5.121 -28.468 -11.931) 31.288 35.954 ( -47.436 4.506 58.725) 75.625 37.202 ( -32.255 17.032 -9.371) 37.660 ======================= Grid point 108 (35/93) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 18.022 -12.107 6.785) 22.747 2.247 ( 5.762 -10.082 -7.281) 13.706 2.459 ( 17.264 -19.331 12.429) 28.744 2.954 ( 24.951 -8.720 -3.216) 26.626 3.051 ( 10.226 -2.601 -4.485) 11.466 3.187 ( 16.319 -12.088 -0.618) 20.318 3.377 ( 22.469 -6.001 13.981) 27.136 3.657 ( 4.943 0.593 3.077) 5.853 3.737 ( -4.509 1.731 0.981) 4.928 4.061 ( -2.242 -10.122 -0.393) 10.375 4.367 ( 0.259 -1.913 -7.458) 7.704 4.467 ( 5.162 -5.064 -3.296) 7.947 4.577 ( 5.123 0.942 3.415) 6.228 4.931 ( 10.097 3.333 -8.254) 13.461 5.281 ( 2.629 1.685 11.179) 11.607 5.330 ( 1.869 -4.408 3.154) 5.733 5.387 ( 7.454 0.213 2.601) 7.897 5.592 ( 5.797 -3.849 -4.769) 8.436 5.718 ( 0.493 -5.645 -3.486) 6.653 5.911 ( 7.798 -6.689 -0.090) 10.275 6.045 ( 2.673 -0.978 -12.865) 13.176 6.245 ( -2.613 -1.017 -7.898) 8.381 6.356 ( -9.718 2.067 7.091) 12.207 6.521 ( 1.063 13.430 4.817) 14.307 6.674 ( 1.607 -8.384 -1.535) 8.674 6.927 ( 2.179 10.875 4.756) 12.068 7.154 ( 3.372 -4.349 -5.468) 7.758 7.240 ( -1.723 6.853 -0.054) 7.066 7.277 ( 4.782 8.222 5.074) 10.781 7.663 ( 4.635 3.231 -3.591) 6.694 7.864 ( 15.018 2.379 1.442) 15.274 8.046 ( 11.788 -7.084 -9.339) 16.624 8.693 ( -5.606 4.901 2.912) 7.995 8.853 ( -13.551 1.603 7.331) 15.490 9.280 ( -1.057 2.079 2.385) 3.336 9.529 ( -6.544 6.364 -0.530) 9.143 9.777 ( 3.203 0.541 8.355) 8.965 10.156 ( -3.342 1.615 -4.500) 5.833 10.400 ( -3.230 3.378 2.907) 5.504 10.454 ( -3.692 3.773 3.696) 6.444 10.680 ( -4.634 1.677 -7.412) 8.900 10.739 ( -0.426 5.718 -7.465) 9.413 11.352 ( -3.274 2.265 10.322) 11.064 11.639 ( -9.319 3.215 -2.533) 10.178 13.592 ( 2.677 -3.576 1.905) 4.856 13.624 ( 1.295 -3.642 1.240) 4.059 13.692 ( 0.668 -5.732 0.491) 5.791 13.754 ( 1.253 -2.526 -0.239) 2.829 15.558 ( 11.160 3.954 1.036) 11.885 15.815 ( 3.512 -1.758 -10.297) 11.021 15.926 ( 0.457 2.265 3.516) 4.207 16.143 ( 3.357 5.228 -4.648) 7.759 16.301 ( -4.418 -2.550 9.337) 10.640 16.475 ( 3.663 3.642 -0.667) 5.208 16.523 ( -1.143 1.817 -2.538) 3.324 16.591 ( -8.535 -1.349 -2.053) 8.881 18.804 ( 4.253 7.407 3.633) 9.282 18.956 ( -2.695 1.716 -1.985) 3.762 19.286 ( 1.754 -2.129 3.267) 4.276 19.560 ( -4.410 -1.628 -6.849) 8.307 24.116 ( -8.235 -12.418 7.583) 16.718 24.426 ( -18.878 -8.315 -4.348) 21.082 27.415 ( 26.793 2.843 8.702) 28.313 28.085 ( 20.216 16.281 -15.117) 30.038 28.703 ( 4.772 -4.468 -1.679) 6.749 28.862 ( 7.549 4.780 -7.470) 11.646 29.498 ( 8.785 3.641 7.358) 12.024 29.750 ( 5.999 5.396 -4.139) 9.068 30.330 ( -8.553 -1.748 -0.114) 8.730 30.350 ( -13.730 -2.203 -1.500) 13.986 32.412 ( 1.312 -0.398 0.613) 1.501 32.443 ( 0.922 -0.746 -0.306) 1.224 32.662 ( 1.856 -1.696 1.521) 2.939 32.888 ( 2.158 5.574 -7.366) 9.486 34.077 ( 6.314 -23.239 -0.837) 24.096 34.279 ( 11.290 -18.274 -6.788) 22.527 35.358 ( -29.224 1.464 40.110) 49.649 36.490 ( -33.514 17.500 -11.799) 39.606 ======================= Grid point 109 (36/93) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 14.521 -13.229 -4.330) 20.115 2.406 ( 3.717 -5.407 -8.047) 10.383 2.796 ( 10.296 0.493 11.004) 15.078 3.123 ( -7.379 0.551 1.154) 7.489 3.278 ( 4.389 -3.720 -5.353) 7.858 3.403 ( 8.341 -1.623 -2.203) 8.778 3.491 ( 12.358 -7.916 1.613) 14.764 3.759 ( 1.882 -4.671 -1.991) 5.416 4.041 ( 3.850 -2.062 7.962) 9.081 4.111 ( 4.129 -3.446 6.632) 8.539 4.305 ( 8.452 3.812 -0.385) 9.280 4.631 ( -0.748 -9.503 3.748) 10.242 4.724 ( 4.411 -11.528 2.229) 12.543 4.997 ( 8.268 10.880 -2.513) 13.894 5.294 ( 1.617 -1.512 8.030) 8.329 5.364 ( -4.277 -7.460 0.649) 8.623 5.547 ( 10.141 1.078 -0.086) 10.199 5.708 ( -1.888 -3.334 -1.985) 4.315 5.769 ( 6.382 -2.643 -7.150) 9.942 6.029 ( 1.477 4.232 -9.691) 10.677 6.096 ( -2.394 -1.032 -2.776) 3.809 6.160 ( -3.237 8.463 -3.878) 9.856 6.258 ( 5.171 -3.511 6.055) 8.702 6.498 ( 2.147 -4.901 2.464) 5.891 6.713 ( -5.150 2.774 -0.664) 5.887 6.838 ( 3.177 6.839 -3.736) 8.416 7.095 ( -1.426 6.144 2.341) 6.728 7.205 ( -0.572 4.463 -4.278) 6.208 7.359 ( 4.323 -9.356 5.646) 11.751 7.644 ( 1.635 7.993 -0.739) 8.192 8.069 ( 11.910 -0.957 1.328) 12.022 8.255 ( 7.651 -1.382 -7.671) 10.922 8.558 ( -5.862 1.706 6.192) 8.696 8.666 ( -8.453 1.336 6.171) 10.551 9.262 ( -0.492 -0.861 -2.098) 2.320 9.378 ( -3.302 6.253 -2.468) 7.489 9.851 ( 5.883 -0.805 4.579) 7.498 10.070 ( -5.686 1.105 -2.215) 6.202 10.301 ( -2.140 4.531 2.042) 5.411 10.344 ( -6.009 1.855 2.256) 6.681 10.635 ( -0.281 0.141 -5.172) 5.181 10.681 ( -0.948 2.564 -6.584) 7.129 11.303 ( -0.066 0.941 7.281) 7.342 11.465 ( -8.418 2.697 0.017) 8.839 13.655 ( 1.255 -2.196 1.630) 3.009 13.671 ( 1.027 -1.155 1.930) 2.473 13.761 ( 0.851 -3.768 -0.499) 3.895 13.793 ( 0.434 -1.570 -0.548) 1.719 15.685 ( 9.711 2.223 1.268) 10.042 15.850 ( -2.568 -1.034 -2.262) 3.575 15.951 ( 7.434 1.909 -1.738) 7.870 16.135 ( 0.399 2.551 -5.144) 5.756 16.264 ( -2.590 -1.713 6.895) 7.562 16.414 ( -9.330 -0.044 -0.327) 9.336 16.497 ( 3.619 2.681 -0.993) 4.612 16.538 ( -2.160 -1.250 -2.172) 3.308 18.804 ( 4.685 4.461 3.551) 7.379 18.895 ( -3.630 0.501 0.689) 3.729 19.352 ( 3.727 -1.562 -0.408) 4.062 19.500 ( -3.890 0.762 -5.267) 6.592 24.144 ( -3.497 -7.750 3.317) 9.127 24.278 ( -10.070 -3.540 -1.758) 10.818 27.769 ( 24.116 3.715 7.189) 25.438 28.141 ( 3.693 6.277 -3.946) 8.284 28.785 ( 0.322 -3.291 -5.303) 6.250 28.862 ( -0.576 2.753 -6.547) 7.126 29.638 ( 14.705 2.634 6.072) 16.126 29.839 ( 12.727 4.440 -2.571) 13.722 30.133 ( -16.898 -1.222 0.827) 16.962 30.194 ( -11.884 -1.604 -1.127) 12.045 32.439 ( 0.726 -1.254 0.910) 1.711 32.460 ( 0.697 0.108 0.605) 0.929 32.720 ( 1.176 -4.126 -1.887) 4.687 32.848 ( 1.095 5.797 -6.359) 8.675 34.395 ( 6.614 -15.432 4.126) 17.289 34.687 ( 17.113 -12.569 -2.521) 21.382 34.987 ( -16.712 1.186 22.060) 27.701 35.812 ( -29.601 16.155 -10.599) 35.349 ======================= Grid point 110 (37/93) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.585 -6.635 -10.736) 12.634 2.438 ( -0.585 6.635 -10.736) 12.634 2.905 ( -13.581 -2.795 8.003) 16.010 2.905 ( 13.581 2.795 8.003) 16.010 3.433 ( -1.008 -7.578 -4.066) 8.658 3.433 ( 1.008 7.578 -4.066) 8.658 3.754 ( -7.179 2.482 1.558) 7.754 3.754 ( 7.179 -2.482 1.558) 7.755 4.032 ( -1.913 -3.278 2.427) 4.505 4.032 ( 1.913 3.278 2.427) 4.505 4.573 ( -17.445 -4.477 9.669) 20.442 4.573 ( 17.445 4.477 9.669) 20.442 4.922 ( -3.221 -16.875 -1.627) 17.257 4.922 ( 3.221 16.875 -1.627) 17.257 5.355 ( -1.968 -1.738 2.869) 3.889 5.355 ( 1.968 1.738 2.869) 3.889 5.653 ( -7.970 -4.559 0.112) 9.183 5.653 ( 7.971 4.559 0.112) 9.183 5.932 ( 5.480 -4.409 -11.467) 13.452 5.932 ( -5.480 4.409 -11.467) 13.452 6.055 ( -2.244 -1.190 4.063) 4.792 6.055 ( 2.244 1.190 4.063) 4.792 6.465 ( 6.866 -8.362 -0.175) 10.820 6.465 ( -6.866 8.362 -0.175) 10.820 6.721 ( 0.487 -14.210 -3.389) 14.616 6.721 ( -0.487 14.210 -3.389) 14.616 7.117 ( 1.160 -6.821 -0.150) 6.920 7.117 ( -1.160 6.821 -0.150) 6.920 7.531 ( 1.436 -11.238 1.743) 11.463 7.531 ( -1.436 11.238 1.743) 11.463 8.241 ( -4.540 -3.638 -1.002) 5.904 8.241 ( 4.540 3.638 -1.002) 5.904 8.552 ( -3.129 0.297 4.852) 5.781 8.552 ( 3.129 -0.297 4.852) 5.781 9.289 ( -0.546 -4.574 -3.291) 5.661 9.289 ( 0.547 4.574 -3.291) 5.661 9.962 ( -6.159 0.806 1.092) 6.307 9.962 ( 6.159 -0.806 1.092) 6.307 10.267 ( -3.457 -3.367 1.732) 5.127 10.267 ( 3.457 3.367 1.732) 5.127 10.647 ( -1.106 -1.674 -5.294) 5.662 10.647 ( 1.106 1.674 -5.294) 5.662 11.339 ( -3.770 -0.097 3.467) 5.123 11.339 ( 3.770 0.097 3.467) 5.123 13.681 ( -2.930 -3.982 1.796) 5.260 13.681 ( 2.930 3.982 1.796) 5.260 13.798 ( -0.158 -1.094 -0.739) 1.329 13.798 ( 0.158 1.094 -0.739) 1.329 15.790 ( -6.384 -0.992 0.853) 6.517 15.790 ( 6.384 0.992 0.853) 6.517 16.064 ( -7.475 -2.108 -3.646) 8.580 16.064 ( 7.475 2.108 -3.646) 8.580 16.296 ( -5.250 -0.326 2.447) 5.801 16.296 ( 5.250 0.326 2.447) 5.801 16.520 ( -3.089 -2.680 -1.533) 4.367 16.520 ( 3.089 2.680 -1.533) 4.367 18.839 ( -4.351 -1.646 2.536) 5.298 18.839 ( 4.351 1.646 2.536) 5.298 19.428 ( -2.781 0.420 -3.136) 4.213 19.428 ( 2.781 -0.420 -3.136) 4.213 24.192 ( 2.496 -1.955 0.561) 3.220 24.192 ( -2.496 1.955 0.561) 3.220 28.035 ( -14.180 -1.773 3.425) 14.695 28.035 ( 14.180 1.773 3.425) 14.695 28.818 ( -10.357 -13.536 -6.361) 18.192 28.818 ( 10.357 13.536 -6.361) 18.192 29.868 ( -16.610 -0.670 2.869) 16.869 29.868 ( 16.610 0.670 2.869) 16.869 30.019 ( -12.896 -2.098 -1.430) 13.143 30.019 ( 12.896 2.098 -1.430) 13.143 32.459 ( -0.289 -1.257 1.078) 1.681 32.459 ( 0.289 1.257 1.078) 1.681 32.788 ( -0.100 -5.692 -4.618) 7.331 32.788 ( 0.100 5.692 -4.618) 7.331 34.659 ( -13.120 -20.201 13.198) 27.467 34.659 ( 13.120 20.201 13.198) 27.467 35.226 ( 4.891 -11.616 -7.754) 14.798 35.226 ( -4.891 11.616 -7.754) 14.798 ======================= Grid point 117 (38/93) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 20.891 -0.000 19.405) 28.513 1.585 ( 22.653 -0.000 36.909) 43.306 1.937 ( 12.265 -0.000 -15.362) 19.658 2.276 ( 31.364 -0.000 -0.866) 31.376 2.318 ( 41.702 -0.000 18.698) 45.702 2.706 ( 30.784 -0.000 7.264) 31.629 2.791 ( 18.913 -0.000 -10.662) 21.711 3.783 ( -6.188 0.000 -12.387) 13.846 3.849 ( -8.781 0.000 8.035) 11.903 3.912 ( -1.093 0.000 1.667) 1.993 4.189 ( 11.135 -0.000 2.660) 11.448 4.458 ( 5.488 -0.000 -14.549) 15.549 4.743 ( 4.677 -0.000 -6.168) 7.741 4.747 ( -4.265 0.000 -13.899) 14.539 5.106 ( 12.287 -0.000 2.509) 12.540 5.266 ( 6.297 -0.000 12.246) 13.770 5.368 ( 0.600 -0.000 -1.018) 1.181 5.482 ( 4.983 -0.000 -10.271) 11.416 5.592 ( 11.000 -0.000 -4.035) 11.716 5.690 ( -2.983 0.000 17.872) 18.119 5.814 ( 2.817 -0.000 -5.064) 5.795 6.276 ( -4.891 0.000 -5.266) 7.187 6.430 ( 0.232 -0.000 9.173) 9.176 6.529 ( -11.610 0.000 3.862) 12.235 7.018 ( 3.521 -0.000 -3.237) 4.782 7.034 ( 2.829 -0.000 -16.333) 16.577 7.068 ( 2.202 -0.000 -0.170) 2.209 7.211 ( 21.260 -0.000 -9.684) 23.361 7.362 ( 16.643 -0.000 -10.362) 19.606 7.423 ( 1.012 -0.000 -11.013) 11.059 7.768 ( 7.890 -0.000 7.832) 11.117 7.861 ( 2.577 -0.000 4.320) 5.030 8.879 ( -1.007 0.000 3.317) 3.466 9.119 ( -12.021 0.000 2.095) 12.202 9.439 ( -12.776 0.000 17.125) 21.366 9.781 ( -11.099 0.000 -0.197) 11.101 9.787 ( -3.490 0.000 20.630) 20.923 10.228 ( -1.410 0.000 0.381) 1.460 10.449 ( -1.168 0.000 1.031) 1.558 10.609 ( -1.120 0.000 6.791) 6.883 10.805 ( -5.742 0.000 -12.118) 13.409 10.989 ( -5.694 0.000 -7.657) 9.542 11.474 ( -4.111 0.000 10.210) 11.006 11.833 ( -8.034 0.000 -4.724) 9.319 13.424 ( 2.938 -0.000 2.122) 3.624 13.457 ( 3.682 -0.000 -0.434) 3.708 13.545 ( 0.234 -0.000 3.144) 3.152 13.675 ( 2.617 -0.000 -1.745) 3.145 15.534 ( 11.297 -0.000 -7.899) 13.785 15.699 ( 0.214 -0.000 -11.366) 11.368 15.992 ( 0.301 -0.000 4.507) 4.517 16.229 ( 0.442 -0.000 -0.495) 0.664 16.316 ( -2.237 0.000 5.077) 5.548 16.572 ( 0.890 -0.000 -0.990) 1.331 16.608 ( 3.543 -0.000 3.694) 5.118 16.726 ( -4.948 0.000 -1.540) 5.182 19.039 ( 4.068 -0.000 4.346) 5.953 19.139 ( -2.732 0.000 3.247) 4.243 19.178 ( -3.688 0.000 0.349) 3.704 19.293 ( 2.506 -0.000 -5.439) 5.988 23.961 ( -18.350 0.000 17.296) 25.217 24.407 ( -22.442 0.000 -3.798) 22.761 27.065 ( 25.140 -0.000 9.435) 26.852 28.233 ( 25.423 -0.000 -39.162) 46.691 28.520 ( 6.296 -0.000 3.052) 6.997 28.851 ( 17.462 -0.000 -27.160) 32.289 29.595 ( 14.353 -0.000 -8.553) 16.708 29.656 ( 6.412 -0.000 -2.693) 6.954 30.384 ( -5.045 0.000 1.674) 5.315 30.462 ( -9.723 0.000 -1.425) 9.827 32.413 ( 0.382 -0.000 0.322) 0.499 32.446 ( 0.281 -0.000 -0.809) 0.856 32.810 ( 0.597 -0.000 2.202) 2.281 32.906 ( 4.385 -0.000 3.463) 5.588 33.215 ( 4.897 -0.000 5.059) 7.041 33.393 ( 14.979 -0.000 -2.128) 15.129 36.020 ( -54.537 0.000 74.721) 92.507 37.413 ( -35.497 0.000 -8.625) 36.529 ======================= Grid point 118 (39/93) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 20.281 -11.950 12.045) 26.443 1.952 ( 17.934 -10.359 27.515) 34.439 2.169 ( 15.602 -2.877 -8.121) 17.823 2.754 ( 26.391 -5.433 2.455) 27.056 2.902 ( 28.312 -6.263 2.769) 29.128 3.094 ( 19.318 0.557 -12.746) 23.151 3.286 ( 37.981 -1.706 8.969) 39.063 3.685 ( -7.162 1.896 3.064) 8.017 3.750 ( -6.312 -7.333 -6.793) 11.822 3.880 ( -1.219 0.756 2.067) 2.516 4.351 ( 8.954 0.774 0.714) 9.016 4.500 ( 3.906 4.696 -4.865) 7.808 4.664 ( -0.339 3.792 -9.585) 10.314 4.910 ( 12.074 -2.548 -13.574) 18.345 5.264 ( 5.673 -2.059 5.559) 8.205 5.321 ( 2.554 3.260 5.740) 7.078 5.457 ( 8.166 -5.303 3.965) 10.513 5.508 ( -2.453 -0.402 8.291) 8.656 5.613 ( 2.863 4.319 -1.102) 5.298 5.782 ( 5.419 -5.189 0.074) 7.503 5.938 ( 5.688 -6.707 -7.679) 11.675 6.213 ( -2.074 0.543 -5.166) 5.593 6.379 ( -6.633 1.070 3.929) 7.783 6.473 ( -1.274 -7.719 5.361) 9.484 6.899 ( 1.094 15.585 -7.859) 17.489 7.072 ( 1.964 1.918 1.363) 3.065 7.083 ( 0.189 0.113 -6.066) 6.070 7.428 ( 2.002 3.274 -6.315) 7.390 7.486 ( 7.623 6.266 -0.142) 9.869 7.578 ( 7.521 -8.960 -10.976) 16.042 7.917 ( 8.222 1.584 2.043) 8.619 7.969 ( 18.655 1.123 -1.253) 18.731 8.810 ( -5.500 3.890 2.282) 7.113 8.887 ( -15.160 1.427 13.219) 20.164 9.305 ( -5.149 0.058 7.801) 9.347 9.621 ( -8.210 1.655 -1.194) 8.460 9.786 ( 1.889 0.181 11.658) 11.812 10.178 ( -4.693 0.375 -2.150) 5.176 10.422 ( -2.443 0.013 1.455) 2.843 10.560 ( -2.811 3.177 5.959) 7.315 10.684 ( -9.827 -0.393 -8.493) 12.994 10.855 ( -7.047 3.054 -5.009) 9.170 11.394 ( -4.726 1.268 8.557) 9.857 11.685 ( -10.510 0.796 -3.508) 11.108 13.491 ( 2.507 -2.928 1.127) 4.015 13.539 ( 3.732 -3.095 -0.213) 4.854 13.572 ( 1.346 -3.262 3.781) 5.172 13.722 ( 2.780 -0.621 -1.920) 3.435 15.656 ( 8.168 4.202 -5.448) 10.680 15.750 ( 3.657 -3.638 -9.489) 10.800 15.990 ( 1.548 2.238 4.769) 5.491 16.230 ( -1.637 -1.327 7.221) 7.522 16.272 ( -1.169 2.803 -4.681) 5.580 16.541 ( -4.562 0.275 -3.457) 5.730 16.627 ( -0.273 5.364 2.680) 6.002 16.646 ( 2.885 4.782 2.123) 5.975 19.020 ( 4.605 9.836 1.612) 10.980 19.063 ( -1.282 7.438 -0.330) 7.555 19.205 ( 2.661 -5.376 2.165) 6.378 19.416 ( -0.686 -10.013 -5.452) 11.422 23.814 ( -9.599 -9.547 9.176) 16.354 24.157 ( -19.070 -10.233 -4.517) 22.109 27.470 ( 28.418 1.518 11.975) 30.875 28.410 ( 5.667 10.673 -10.777) 16.192 28.583 ( 0.716 -5.505 -2.927) 6.276 28.964 ( 5.514 2.224 -26.846) 27.496 29.703 ( 15.420 11.513 -0.527) 19.251 29.845 ( 8.785 0.764 -8.034) 11.929 30.289 ( -8.641 -1.134 0.072) 8.715 30.295 ( -13.238 -1.543 -0.620) 13.342 32.421 ( 1.030 0.180 -0.471) 1.147 32.442 ( 0.404 1.053 -0.789) 1.376 32.725 ( 3.104 8.445 7.094) 11.457 33.005 ( 1.358 1.074 -6.218) 6.455 33.453 ( 6.304 -23.530 11.718) 27.031 33.786 ( 18.541 -17.629 -4.132) 25.915 35.429 ( -24.227 2.553 49.490) 55.161 36.792 ( -38.387 7.267 -12.723) 41.088 ======================= Grid point 119 (40/93) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 17.936 -10.530 3.771) 21.138 2.278 ( 9.750 -6.472 -1.703) 11.825 2.521 ( 18.849 -13.572 17.358) 28.997 3.154 ( 8.290 -1.715 4.216) 9.457 3.242 ( 13.491 -4.334 4.129) 14.759 3.330 ( 11.516 1.751 -11.301) 16.230 3.531 ( 7.227 3.797 -7.811) 11.299 3.663 ( -2.333 -1.165 -6.948) 7.422 3.923 ( 18.856 -5.578 5.240) 20.350 3.974 ( 8.201 -7.349 2.985) 11.410 4.370 ( -1.776 5.877 -4.347) 7.522 4.479 ( 0.804 0.604 0.319) 1.055 4.707 ( 8.108 1.864 2.156) 8.594 5.123 ( 12.023 -0.575 -8.476) 14.722 5.232 ( -6.369 -0.704 7.319) 9.728 5.348 ( 0.998 4.569 12.415) 13.267 5.538 ( 7.015 -1.939 1.840) 7.507 5.590 ( -2.991 -5.397 6.173) 8.728 5.678 ( 9.021 -4.193 -5.510) 11.372 5.920 ( 0.554 -8.831 -4.735) 10.036 6.089 ( 7.988 -0.982 -9.778) 12.664 6.223 ( 2.724 -1.211 -6.433) 7.090 6.284 ( -3.015 2.974 4.080) 5.881 6.554 ( -1.984 -9.683 2.455) 10.184 6.710 ( -1.473 15.736 -6.265) 17.001 7.028 ( -2.111 5.010 -2.590) 6.022 7.100 ( -0.443 -1.905 3.369) 3.895 7.393 ( 2.453 10.351 -2.046) 10.832 7.439 ( 3.120 9.082 4.696) 10.690 7.726 ( 3.586 -2.182 -7.803) 8.860 8.052 ( 9.547 0.110 1.091) 9.609 8.239 ( 15.257 0.363 -5.347) 16.171 8.626 ( -11.217 3.463 6.361) 13.352 8.685 ( -8.906 1.816 7.302) 11.659 9.249 ( -3.517 -0.857 2.841) 4.601 9.492 ( -5.180 2.985 -2.562) 6.504 9.835 ( 4.258 -0.484 6.638) 7.901 10.086 ( -6.418 0.383 -2.065) 6.753 10.349 ( -6.379 1.917 0.966) 6.730 10.454 ( -4.784 4.508 1.714) 6.793 10.580 ( -5.233 -3.832 -2.946) 7.124 10.730 ( -6.010 1.199 -3.982) 7.309 11.322 ( -2.696 0.756 6.143) 6.751 11.509 ( -10.741 0.969 -1.410) 10.877 13.539 ( -1.531 -4.623 1.764) 5.179 13.635 ( 3.508 -3.451 -0.419) 4.939 13.657 ( 3.281 -4.092 2.267) 5.713 13.767 ( 2.361 -0.354 -1.268) 2.703 15.727 ( 6.021 1.460 -1.876) 6.473 15.820 ( -0.457 -1.336 -4.372) 4.595 16.013 ( 6.107 2.785 1.327) 6.842 16.175 ( -6.640 -1.231 2.396) 7.166 16.259 ( 3.326 2.699 -1.947) 4.705 16.426 ( -8.887 -0.220 -1.951) 9.101 16.582 ( 4.046 7.167 1.233) 8.323 16.641 ( 4.170 6.221 0.763) 7.528 18.963 ( 0.326 6.902 1.102) 6.997 18.989 ( 3.991 8.855 1.246) 9.793 19.303 ( 3.814 -2.900 0.296) 4.800 19.470 ( -2.495 -3.852 -5.190) 6.928 23.850 ( -5.001 -14.658 4.743) 16.198 24.055 ( -12.534 -13.083 -3.064) 18.376 27.863 ( 26.039 3.895 10.596) 28.381 28.264 ( -10.616 4.366 0.979) 11.520 28.590 ( -10.229 -7.598 -2.305) 12.949 29.059 ( 12.526 6.515 -28.296) 31.623 29.790 ( 13.010 10.134 5.503) 17.385 29.949 ( 10.843 4.268 -2.470) 11.912 30.087 ( -16.737 -2.197 0.625) 16.892 30.151 ( -12.076 -1.751 -1.205) 12.262 32.432 ( 0.656 0.588 -0.204) 0.904 32.450 ( 1.099 -0.688 -1.920) 2.317 32.704 ( 2.403 3.296 5.091) 6.524 32.985 ( 1.539 5.164 -6.413) 8.376 33.822 ( 1.970 -27.132 15.172) 31.149 34.295 ( 20.360 -18.231 -5.964) 27.973 35.154 ( -5.682 7.427 26.078) 27.704 36.134 ( -33.318 10.583 -12.359) 37.079 ======================= Grid point 120 (41/93) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 11.877 -7.140 -3.617) 14.322 2.461 ( 8.727 -3.432 -6.095) 11.185 2.929 ( 3.910 -4.653 16.012) 17.127 2.997 ( -2.985 0.908 6.593) 7.294 3.333 ( -0.779 7.166 -9.792) 12.159 3.526 ( 8.401 -1.497 -7.230) 11.185 3.656 ( 16.972 -3.610 1.631) 17.428 3.793 ( 5.233 1.081 -1.814) 5.644 4.022 ( -1.639 0.426 0.484) 1.761 4.103 ( -1.627 1.818 -5.540) 6.054 4.400 ( -0.844 -8.674 4.995) 10.044 4.460 ( -4.632 -4.725 5.040) 8.318 4.806 ( 9.290 4.568 7.973) 13.067 5.186 ( -1.450 -2.116 5.534) 6.100 5.229 ( 1.872 1.557 0.502) 2.487 5.336 ( 4.731 -0.037 2.160) 5.200 5.566 ( -6.716 -6.215 5.811) 10.840 5.702 ( 9.349 1.400 -0.051) 9.453 5.851 ( 6.515 -3.611 -7.631) 10.664 5.974 ( -4.348 -5.055 -7.992) 10.409 6.090 ( -3.027 4.895 -2.031) 6.103 6.250 ( 2.024 8.154 -5.567) 10.079 6.353 ( 10.559 -2.417 -4.116) 11.587 6.502 ( -2.252 4.359 5.014) 7.015 6.635 ( -4.072 -3.611 -4.319) 6.949 6.924 ( -1.293 4.186 0.372) 4.397 7.081 ( -6.135 -1.949 0.923) 6.503 7.256 ( 1.124 15.053 -0.600) 15.106 7.437 ( 4.918 3.040 5.211) 7.784 7.753 ( 1.756 4.881 -5.059) 7.246 8.154 ( 1.113 -1.482 1.593) 2.444 8.349 ( 0.533 4.329 -0.401) 4.380 8.503 ( 0.335 -1.792 1.999) 2.706 8.562 ( -5.481 -0.063 4.826) 7.303 9.213 ( -3.167 -2.044 0.286) 3.780 9.396 ( -2.272 3.758 -3.809) 5.814 9.922 ( 4.716 -1.762 2.066) 5.442 9.985 ( -5.728 0.499 -0.118) 5.751 10.220 ( -7.174 -0.345 2.029) 7.464 10.356 ( -1.086 3.617 0.345) 3.792 10.576 ( -3.298 -4.060 -3.171) 6.117 10.650 ( -4.308 -1.465 -3.181) 5.551 11.306 ( -0.197 -1.037 3.096) 3.271 11.360 ( -6.491 0.094 1.825) 6.744 13.563 ( -3.168 -5.639 2.784) 7.042 13.711 ( 1.676 -2.498 -2.150) 3.697 13.745 ( 3.131 -2.177 1.396) 4.061 13.800 ( 1.748 0.083 -0.134) 1.755 15.767 ( -7.139 -0.670 0.704) 7.205 15.801 ( 4.695 0.121 0.256) 4.704 16.030 ( -5.931 -0.506 -1.180) 6.069 16.128 ( 2.876 2.112 -4.481) 5.728 16.293 ( 1.908 0.346 1.140) 2.250 16.333 ( 1.052 1.716 0.747) 2.147 16.560 ( 3.161 6.503 0.546) 7.251 16.636 ( 4.921 6.247 -1.071) 8.025 18.881 ( -2.118 4.895 2.993) 6.116 18.962 ( 5.511 8.556 0.711) 10.202 19.386 ( 3.146 -2.093 -1.983) 4.267 19.446 ( -3.032 -0.114 -3.576) 4.690 23.982 ( -0.218 -14.554 2.015) 14.694 24.064 ( -5.703 -11.858 -1.083) 13.202 28.013 ( -18.937 -0.200 3.764) 19.308 28.095 ( 6.300 3.353 2.758) 7.651 28.543 ( -4.875 -9.920 2.499) 11.332 29.128 ( 9.352 11.702 -20.069) 25.043 29.844 ( -16.963 -1.567 2.117) 17.166 29.903 ( 7.681 2.843 4.148) 9.181 29.978 ( -8.141 -1.225 -0.021) 8.232 30.082 ( 11.699 3.219 -1.656) 12.247 32.436 ( 0.013 -0.467 0.045) 0.469 32.475 ( 1.201 -0.173 -1.199) 1.706 32.712 ( 1.149 0.067 1.462) 1.861 32.937 ( 0.927 6.394 -5.672) 8.597 34.112 ( -3.864 -24.722 19.305) 31.603 34.813 ( 20.049 -16.791 -9.001) 27.657 35.068 ( 9.581 12.266 10.793) 18.940 35.565 ( -22.983 12.245 -7.874) 27.206 ======================= Grid point 121 (42/93) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 2.731 -0.847 -7.062) 7.619 2.520 ( -6.153 9.788 -11.199) 16.096 2.724 ( -3.729 -0.882 9.121) 9.894 3.142 ( 9.029 5.017 1.965) 10.515 3.337 ( -1.776 -3.848 -0.615) 4.282 3.552 ( -0.431 10.400 -3.033) 10.842 3.695 ( -7.547 7.456 3.078) 11.046 3.845 ( 3.558 2.700 -0.384) 4.483 4.014 ( 3.681 -5.221 0.657) 6.422 4.131 ( -7.062 -2.920 5.816) 9.604 4.198 ( -8.601 1.917 9.477) 12.941 4.593 ( -3.553 -15.044 -3.852) 15.931 4.848 ( 1.807 4.986 7.779) 9.415 5.120 ( -0.633 12.158 0.191) 12.176 5.292 ( -1.051 -8.158 -1.600) 8.379 5.427 ( 2.177 -3.421 0.457) 4.081 5.496 ( -3.380 3.677 5.185) 7.199 5.779 ( 4.111 2.969 -1.324) 5.241 5.857 ( -9.476 3.353 -9.440) 13.790 5.938 ( -0.726 -2.057 -6.243) 6.613 6.037 ( -0.726 2.574 2.702) 3.802 6.141 ( 3.746 6.460 -0.503) 7.484 6.451 ( -5.308 4.038 -2.346) 7.069 6.477 ( -0.044 -1.065 5.604) 5.705 6.650 ( 6.940 -5.627 -6.038) 10.784 6.869 ( -2.679 9.037 -3.752) 10.145 7.019 ( -1.945 -5.876 2.544) 6.692 7.127 ( -2.217 5.894 -0.606) 6.327 7.497 ( 3.219 -1.778 3.913) 5.369 7.658 ( -1.521 11.543 -2.662) 11.944 8.068 ( -12.639 -0.968 3.259) 13.088 8.303 ( -2.217 2.910 -4.223) 5.587 8.521 ( 1.856 -2.475 8.689) 9.223 8.600 ( 4.601 -3.281 0.035) 5.651 9.212 ( -2.186 -5.062 -1.354) 5.678 9.334 ( -0.680 2.752 -3.901) 4.822 9.868 ( -6.872 0.645 2.400) 7.307 10.029 ( 3.651 -2.558 -2.422) 5.073 10.186 ( -0.082 -3.848 4.084) 5.612 10.349 ( 3.607 1.069 1.204) 3.950 10.552 ( -5.803 -5.213 -4.175) 8.847 10.638 ( -1.091 -2.445 -5.800) 6.388 11.269 ( -3.248 -2.026 5.768) 6.923 11.396 ( 5.450 -2.961 0.396) 6.215 13.573 ( -3.904 -5.432 3.547) 7.572 13.740 ( 0.422 0.266 -2.029) 2.089 13.795 ( 1.711 0.017 0.205) 1.723 13.817 ( 1.004 0.728 0.189) 1.255 15.637 ( -10.948 -1.471 2.757) 11.385 15.860 ( 2.861 -0.034 -0.249) 2.872 15.927 ( -6.914 -0.645 -3.835) 7.933 16.116 ( -2.179 0.829 -4.385) 4.967 16.309 ( 3.770 1.984 5.738) 7.146 16.420 ( 6.577 -0.375 -0.350) 6.597 16.532 ( 4.201 6.778 0.295) 7.979 16.643 ( 5.300 6.172 -3.075) 8.697 18.791 ( -3.300 3.208 4.436) 6.392 18.958 ( 5.139 6.062 -0.934) 8.002 19.378 ( -3.685 0.730 -1.298) 3.975 19.465 ( 3.167 -1.729 -3.722) 5.184 24.141 ( 0.551 -7.919 1.142) 8.020 24.176 ( 5.774 -11.682 -0.133) 13.032 27.701 ( -23.699 -2.149 4.954) 24.307 27.985 ( -19.182 -6.524 -5.294) 20.941 28.663 ( 5.662 -3.891 5.468) 8.781 29.066 ( -1.232 9.756 -9.062) 13.373 29.626 ( -10.783 0.941 2.298) 11.066 29.760 ( -13.202 -2.457 -2.405) 13.642 30.140 ( 15.049 -0.267 2.197) 15.211 30.224 ( 10.072 1.194 -1.137) 10.206 32.441 ( -0.487 -0.924 0.506) 1.160 32.482 ( 0.706 1.564 0.580) 1.811 32.736 ( -0.179 -2.624 -2.632) 3.721 32.866 ( 0.190 7.132 -4.635) 8.508 34.267 ( -7.933 -17.603 17.153) 25.827 34.974 ( -12.932 8.128 -8.644) 17.551 35.180 ( 18.231 11.033 5.128) 21.918 35.467 ( 23.839 -10.290 -3.647) 26.220 ======================= Grid point 122 (43/93) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -16.991 16.440 1.467) 23.687 2.454 ( -0.421 4.390 -12.665) 13.411 2.697 ( -3.873 5.437 4.753) 8.195 3.073 ( -18.858 4.088 -8.206) 20.968 3.242 ( -7.754 8.684 4.093) 12.341 3.372 ( -6.281 3.107 -3.915) 8.027 3.526 ( 3.586 9.191 10.705) 14.558 3.681 ( -21.511 7.646 13.735) 26.643 3.885 ( -2.801 4.998 4.158) 7.079 4.146 ( 6.260 -3.612 2.786) 7.746 4.341 ( 10.466 -0.329 0.280) 10.475 4.638 ( -6.800 -2.979 -9.171) 11.799 4.742 ( -8.501 2.034 1.601) 8.886 4.857 ( -8.309 17.318 -1.622) 19.277 5.319 ( -0.090 2.074 5.500) 5.879 5.341 ( -11.446 -3.031 3.441) 12.330 5.519 ( 4.803 6.838 0.960) 8.412 5.657 ( -6.763 3.814 -10.043) 12.694 5.777 ( -2.056 0.903 -4.574) 5.096 5.935 ( -2.969 -5.030 -7.153) 9.235 6.069 ( 1.250 -6.636 2.834) 7.324 6.152 ( -2.486 4.726 -2.137) 5.751 6.305 ( 4.443 3.709 8.221) 10.054 6.508 ( -3.003 -0.159 -0.821) 3.117 6.708 ( 0.893 1.426 2.624) 3.117 6.813 ( 1.563 1.562 -6.211) 6.592 7.062 ( -0.652 -1.196 -0.887) 1.625 7.078 ( -2.787 -7.515 1.118) 8.093 7.467 ( -3.690 12.800 -0.329) 13.325 7.553 ( -0.939 -3.791 1.113) 4.061 7.845 ( -16.425 0.453 3.967) 16.904 8.184 ( -6.527 4.696 -7.167) 10.771 8.616 ( 4.938 -2.145 5.354) 7.593 8.758 ( 8.905 -6.992 4.174) 12.067 9.231 ( -2.913 -3.164 -2.991) 5.239 9.359 ( 3.264 -5.879 -1.279) 6.845 9.769 ( -5.305 -0.057 5.768) 7.837 10.094 ( 0.200 -3.929 -5.890) 7.083 10.282 ( 4.910 -4.581 5.031) 8.391 10.406 ( 1.527 -2.046 2.610) 3.652 10.554 ( -2.096 -6.739 -5.270) 8.808 10.660 ( 0.143 -2.835 -9.205) 9.632 11.286 ( 0.983 -3.436 9.542) 10.189 11.544 ( 7.450 -4.729 -2.044) 9.058 13.569 ( -3.935 -4.100 4.217) 7.076 13.721 ( -0.221 2.968 -0.878) 3.103 13.796 ( 0.438 2.846 -0.208) 2.887 13.811 ( 0.119 1.687 -0.533) 1.773 15.486 ( -11.192 -2.162 4.175) 12.140 15.835 ( -4.514 0.201 -10.564) 11.490 15.900 ( 1.247 -0.358 3.024) 3.291 16.070 ( -3.311 -0.711 -3.371) 4.778 16.347 ( 3.739 1.747 9.419) 10.283 16.441 ( -1.501 1.451 1.016) 2.321 16.582 ( 8.204 4.716 -4.091) 10.310 16.662 ( 6.896 5.155 -3.837) 9.426 18.716 ( -3.545 0.181 5.367) 6.435 18.975 ( 3.930 3.349 -4.077) 6.579 19.321 ( -1.834 1.154 2.576) 3.367 19.537 ( 3.406 -2.365 -5.484) 6.876 24.250 ( 5.679 -2.140 4.388) 7.489 24.433 ( 13.250 -8.014 -2.543) 15.693 27.354 ( -24.940 -2.250 5.350) 25.606 27.730 ( -28.623 -13.084 -8.985) 32.729 28.715 ( -4.214 -1.608 2.923) 5.375 28.876 ( -12.059 4.209 -1.912) 12.914 29.509 ( -1.886 3.314 2.349) 4.478 29.647 ( -5.049 -3.202 -2.518) 6.487 30.351 ( 7.878 0.027 -0.161) 7.880 30.367 ( 12.731 -0.799 -0.862) 12.785 32.438 ( -0.788 0.033 0.972) 1.252 32.463 ( -0.002 2.285 1.404) 2.681 32.750 ( -1.281 0.815 -4.217) 4.482 32.795 ( -0.322 2.219 -4.494) 5.022 34.290 ( -6.797 -6.221 7.628) 11.962 34.622 ( -12.516 13.876 -4.273) 19.169 35.441 ( 29.118 7.687 15.447) 33.846 36.053 ( 27.699 -18.777 -8.265) 34.469 ======================= Grid point 123 (44/93) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -16.691 15.108 12.284) 25.646 2.275 ( -26.622 11.783 1.617) 29.158 2.372 ( -5.563 15.709 -6.898) 18.036 2.638 ( -26.880 7.720 -8.897) 29.348 3.019 ( -7.277 9.682 7.139) 14.060 3.121 ( -13.187 15.018 6.222) 20.932 3.171 ( -14.323 21.015 10.014) 27.332 3.694 ( 9.313 -2.922 3.768) 10.463 3.799 ( 2.011 4.417 5.167) 7.089 4.249 ( 7.333 4.607 -4.277) 9.658 4.317 ( -11.216 7.271 -4.075) 13.974 4.463 ( -8.915 13.545 -1.432) 16.278 4.580 ( 5.422 0.182 -2.152) 5.836 4.746 ( -5.586 -7.731 -5.781) 11.153 5.146 ( -15.468 1.743 -0.037) 15.565 5.266 ( -2.061 3.767 6.984) 8.198 5.449 ( 0.981 6.666 0.657) 6.769 5.581 ( -1.096 4.953 -8.065) 9.528 5.690 ( -6.883 1.489 -5.833) 9.144 5.929 ( -3.360 7.578 8.203) 11.662 6.004 ( -0.850 -2.762 -10.359) 10.754 6.248 ( 3.953 -11.902 0.315) 12.545 6.413 ( 2.107 0.495 0.525) 2.227 6.490 ( 6.990 -3.031 5.124) 9.182 6.706 ( -6.348 5.885 2.268) 8.948 6.767 ( -0.750 -5.895 -0.186) 5.945 7.095 ( -6.275 -6.349 -1.520) 9.055 7.116 ( 1.504 -2.324 -4.981) 5.698 7.299 ( -1.606 6.339 4.842) 8.137 7.506 ( -13.335 -0.875 -0.184) 13.365 7.622 ( -8.483 -2.874 5.434) 10.476 8.017 ( -5.390 8.250 -10.451) 14.364 8.715 ( 4.056 -3.343 3.062) 6.083 9.008 ( 12.245 -7.104 2.552) 14.385 9.230 ( -2.104 -4.890 1.425) 5.511 9.535 ( 6.119 -9.386 0.951) 11.245 9.720 ( -2.256 -2.697 8.472) 9.173 10.122 ( -2.987 -4.207 -7.319) 8.955 10.386 ( -0.571 -4.448 5.799) 7.331 10.451 ( 1.487 -4.989 1.436) 5.400 10.627 ( 0.087 -6.017 -4.820) 7.710 10.716 ( 2.306 -3.691 -11.035) 11.863 11.362 ( 2.773 -4.036 11.936) 12.902 11.713 ( 6.780 -5.148 -3.863) 9.349 13.548 ( -3.219 -1.594 4.586) 5.825 13.670 ( -0.484 4.680 -0.476) 4.729 13.750 ( -0.026 4.944 0.071) 4.945 13.780 ( -0.459 3.345 -0.331) 3.392 15.359 ( -8.859 -2.424 5.027) 10.470 15.774 ( -3.050 0.523 -12.795) 13.164 15.919 ( 0.617 -0.439 2.307) 2.429 16.043 ( -2.820 -3.089 -2.598) 4.924 16.374 ( 2.158 1.670 11.806) 12.117 16.399 ( -2.225 -0.011 0.959) 2.422 16.603 ( 4.209 6.534 -7.972) 11.134 16.738 ( 6.946 2.285 -3.788) 8.236 18.687 ( -2.777 -3.547 5.579) 7.170 18.991 ( 1.374 1.041 -7.409) 7.607 19.313 ( 2.915 1.193 6.675) 7.381 19.624 ( 4.295 -2.390 -6.879) 8.455 24.351 ( 8.817 4.246 9.934) 13.945 24.775 ( 22.524 -4.712 -6.234) 23.841 27.011 ( -22.292 -1.333 4.464) 22.774 27.420 ( -35.558 -16.913 -12.060) 41.181 28.583 ( -12.801 -0.091 0.982) 12.839 28.639 ( -15.188 0.061 0.353) 15.193 29.468 ( 1.003 3.426 3.650) 5.105 29.672 ( 1.922 -3.683 -4.126) 5.856 30.444 ( 4.901 0.388 1.149) 5.049 30.542 ( 9.380 0.274 -2.889) 9.819 32.412 ( -0.729 2.168 1.306) 2.634 32.439 ( -0.627 0.989 0.899) 1.476 32.682 ( -0.983 5.131 -1.450) 5.422 32.805 ( -1.375 -3.721 -6.770) 7.846 34.189 ( -4.820 11.471 -1.835) 12.577 34.313 ( -6.501 11.880 -2.791) 13.827 35.882 ( 34.473 -0.843 27.145) 43.886 36.710 ( 25.738 -23.505 -8.950) 35.987 ======================= Grid point 124 (45/93) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -14.972 11.971 22.764) 29.760 1.570 ( -33.989 15.733 17.030) 41.144 2.110 ( -14.512 16.068 -6.926) 22.732 2.164 ( -9.500 15.461 -11.090) 21.267 2.582 ( -9.277 37.503 31.164) 49.635 2.777 ( -8.076 21.552 -1.498) 23.064 2.788 ( -6.320 13.808 -5.042) 16.001 3.818 ( 3.408 -6.912 -4.852) 9.106 3.902 ( 7.081 -2.035 7.811) 10.737 4.073 ( -12.331 -0.120 -6.542) 13.959 4.184 ( -7.580 6.887 -0.909) 10.282 4.322 ( 11.560 13.426 -9.666) 20.182 4.682 ( 4.610 -2.267 -5.396) 7.450 4.777 ( -0.801 -3.955 -0.536) 4.071 4.890 ( -13.816 -1.262 -0.171) 13.874 5.162 ( -6.035 3.300 4.367) 8.148 5.404 ( 1.255 4.851 0.263) 5.017 5.484 ( -2.642 6.417 -10.399) 12.501 5.540 ( -5.653 6.683 0.647) 8.777 5.835 ( -0.867 0.646 12.198) 12.246 6.032 ( 3.528 5.398 -12.531) 14.092 6.366 ( -0.930 2.620 1.045) 2.970 6.465 ( 1.419 -3.278 3.266) 4.840 6.543 ( -2.546 -5.714 2.390) 6.696 6.684 ( 6.654 -2.430 -1.653) 7.274 6.801 ( -1.314 -2.221 5.660) 6.220 6.997 ( -14.277 -3.110 -6.808) 16.120 7.118 ( 0.588 2.821 -5.301) 6.034 7.261 ( -2.095 -0.623 4.330) 4.851 7.363 ( -5.622 -9.699 9.820) 14.903 7.616 ( -2.990 -8.144 0.885) 8.720 7.825 ( -3.141 14.035 -15.534) 21.169 8.806 ( 1.867 -3.824 2.371) 4.872 9.203 ( 3.711 -1.815 -13.511) 14.129 9.374 ( 9.187 -14.815 21.249) 27.484 9.638 ( -0.850 -2.105 7.907) 8.227 9.864 ( 8.767 -12.275 6.341) 16.363 10.102 ( -5.381 -3.916 -7.121) 9.747 10.390 ( -5.474 -5.818 4.768) 9.303 10.539 ( 1.616 -3.922 2.763) 5.062 10.667 ( -2.341 -3.685 -5.072) 6.692 10.801 ( 2.151 -4.054 -11.106) 12.016 11.448 ( 2.138 -3.682 13.027) 13.705 11.853 ( 3.979 -4.360 -5.053) 7.770 13.506 ( -1.799 2.377 4.174) 5.129 13.604 ( -0.377 5.286 -0.861) 5.369 13.692 ( 0.330 5.448 0.695) 5.502 13.726 ( -0.466 4.035 0.644) 4.113 15.275 ( -5.534 -1.902 5.499) 8.030 15.730 ( -1.641 0.733 -14.620) 14.730 15.932 ( 0.161 -0.908 2.518) 2.682 16.064 ( -1.355 -6.302 -2.459) 6.899 16.374 ( 0.281 0.476 8.741) 8.758 16.387 ( -1.250 -1.904 4.616) 5.147 16.577 ( 2.227 6.286 -9.491) 11.600 16.794 ( 3.186 1.598 -4.949) 6.099 18.715 ( -1.475 -6.871 5.041) 8.649 18.995 ( -0.262 -0.672 -7.429) 7.464 19.370 ( 5.278 1.313 7.361) 9.152 19.714 ( 4.822 -0.470 -8.749) 10.001 24.412 ( 8.519 7.933 19.001) 22.284 25.241 ( 33.395 -2.792 -13.707) 36.206 26.732 ( -14.598 -0.140 1.537) 14.680 27.011 ( -43.728 -14.785 -12.566) 47.840 28.387 ( -11.416 0.273 0.738) 11.443 28.432 ( -10.732 0.234 -0.136) 10.735 29.448 ( 0.811 2.703 4.867) 5.626 29.749 ( 2.186 -2.673 -7.746) 8.480 30.489 ( 2.401 1.462 2.287) 3.624 30.637 ( 4.867 2.158 -3.988) 6.652 32.379 ( -0.613 1.182 1.166) 1.770 32.420 ( -0.474 0.863 0.190) 1.002 32.620 ( -0.740 3.168 1.060) 3.422 32.829 ( -1.223 -4.040 -7.495) 8.602 33.898 ( -3.282 23.731 -1.088) 23.981 34.118 ( -1.607 16.079 -12.985) 20.730 36.515 ( 34.515 -17.419 36.385) 53.090 37.336 ( 17.262 -25.720 -6.477) 31.646 ======================= Grid point 125 (46/93) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 14.555 25.197) 29.099 1.133 ( 0.000 19.062 28.691) 34.446 1.780 ( 0.000 13.441 -8.896) 16.118 1.897 ( 0.000 20.098 4.468) 20.588 2.065 ( 0.000 33.553 30.392) 45.271 2.467 ( 0.000 18.045 -0.188) 18.046 2.595 ( 0.000 10.025 -7.929) 12.781 3.871 ( 0.000 4.266 4.505) 6.204 3.987 ( -0.000 -2.268 6.026) 6.439 4.031 ( 0.000 6.627 -1.962) 6.911 4.054 ( -0.000 -11.138 -26.231) 28.498 4.283 ( 0.000 10.353 -7.201) 12.611 4.727 ( -0.000 -0.554 6.949) 6.971 4.760 ( -0.000 -4.569 -8.538) 9.683 4.922 ( -0.000 -8.635 0.821) 8.674 5.043 ( 0.000 4.137 4.828) 6.358 5.361 ( 0.000 3.627 -9.178) 9.869 5.394 ( 0.000 6.048 -9.555) 11.308 5.411 ( 0.000 4.429 7.054) 8.329 5.847 ( -0.000 -1.083 16.872) 16.907 5.956 ( 0.000 11.759 -12.454) 17.128 6.254 ( 0.000 4.335 8.595) 9.626 6.511 ( 0.000 3.718 -3.590) 5.168 6.608 ( -0.000 -2.205 8.472) 8.754 6.726 ( -0.000 -0.447 -6.409) 6.424 6.806 ( 0.000 0.407 6.451) 6.464 6.904 ( -0.000 -8.003 -3.963) 8.930 7.094 ( 0.000 2.206 -4.428) 4.947 7.288 ( -0.000 -3.925 -7.466) 8.435 7.469 ( -0.000 -13.002 12.464) 18.011 7.596 ( 0.000 19.723 -19.037) 27.411 7.704 ( -0.000 -9.486 1.976) 9.690 8.853 ( -0.000 -2.129 2.977) 3.660 9.246 ( -0.000 -1.419 -11.569) 11.656 9.628 ( -0.000 -0.226 8.508) 8.511 9.745 ( -0.000 -27.162 23.835) 36.137 10.076 ( -0.000 -1.953 -8.676) 8.893 10.148 ( -0.000 -16.940 10.670) 20.020 10.379 ( -0.000 -4.357 5.607) 7.101 10.579 ( -0.000 -2.329 3.264) 4.010 10.653 ( 0.000 0.410 -3.363) 3.388 10.860 ( -0.000 -3.076 -12.073) 12.458 11.502 ( -0.000 -2.592 13.308) 13.558 11.927 ( -0.000 -2.951 -5.522) 6.261 13.442 ( 0.000 5.573 3.210) 6.431 13.543 ( 0.000 4.800 -1.748) 5.109 13.630 ( 0.000 5.532 0.816) 5.592 13.685 ( 0.000 2.986 0.366) 3.008 15.240 ( -0.000 -0.573 6.073) 6.100 15.710 ( 0.000 0.561 -14.935) 14.945 15.948 ( -0.000 -1.876 3.407) 3.889 16.140 ( -0.000 -7.652 -3.607) 8.459 16.368 ( 0.000 1.117 14.152) 14.196 16.419 ( -0.000 -5.523 -0.576) 5.553 16.530 ( 0.000 3.720 -7.466) 8.341 16.800 ( 0.000 1.142 -5.472) 5.590 18.797 ( -0.000 -9.128 4.233) 10.062 19.010 ( -0.000 -2.781 -4.768) 5.520 19.396 ( 0.000 2.832 5.395) 6.093 19.740 ( 0.000 6.023 -12.899) 14.236 24.425 ( 0.000 1.938 28.081) 28.148 25.708 ( 0.000 0.750 -35.206) 35.214 26.551 ( 0.000 0.270 1.043) 1.077 26.609 ( 0.000 0.461 -1.101) 1.193 28.280 ( 0.000 0.693 1.115) 1.313 28.339 ( 0.000 0.789 -1.059) 1.321 29.429 ( 0.000 1.582 5.363) 5.592 29.772 ( 0.000 2.517 -11.601) 11.871 30.486 ( 0.000 1.974 2.875) 3.487 30.643 ( 0.000 2.781 -3.819) 4.724 32.374 ( -0.000 -1.354 0.912) 1.633 32.410 ( 0.000 0.004 -0.114) 0.114 32.591 ( 0.000 0.530 3.979) 4.015 32.870 ( -0.000 -5.071 -7.976) 9.451 33.581 ( 0.000 26.054 -1.479) 26.096 33.842 ( 0.000 30.444 -19.953) 36.400 37.204 ( -0.000 -41.382 35.824) 54.734 37.760 ( -0.000 -21.958 -2.796) 22.135 ======================= Grid point 128 (47/93) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 20.354 -0.000 12.004) 23.630 2.156 ( 15.611 -0.000 17.093) 23.149 2.427 ( 19.060 -0.000 -2.713) 19.252 3.075 ( 18.216 -0.000 3.582) 18.565 3.215 ( 9.989 -0.000 5.913) 11.608 3.347 ( 13.593 -0.000 -13.124) 18.895 3.555 ( 6.403 -0.000 -4.216) 7.666 3.653 ( -1.148 0.000 -10.092) 10.157 3.864 ( 1.234 -0.000 3.752) 3.950 3.892 ( 27.084 -0.000 3.167) 27.268 4.465 ( 2.787 -0.000 1.690) 3.260 4.600 ( 3.344 -0.000 -1.759) 3.779 4.675 ( 3.032 -0.000 -4.992) 5.840 5.104 ( 12.998 -0.000 -14.480) 19.458 5.277 ( -7.274 0.000 8.361) 11.082 5.357 ( 7.241 -0.000 4.393) 8.469 5.444 ( -1.766 0.000 6.699) 6.928 5.545 ( 0.717 -0.000 6.366) 6.406 5.718 ( 3.216 -0.000 -0.501) 3.255 5.738 ( 2.348 -0.000 3.504) 4.218 6.051 ( 12.127 -0.000 -3.003) 12.494 6.227 ( 3.659 -0.000 -7.574) 8.412 6.340 ( -1.852 0.000 -1.230) 2.223 6.393 ( -2.630 0.000 5.282) 5.900 6.956 ( -6.390 0.000 -12.420) 13.968 7.066 ( -0.625 0.000 -6.146) 6.178 7.118 ( 1.596 -0.000 2.980) 3.380 7.439 ( 0.229 -0.000 -6.885) 6.888 7.598 ( 2.701 -0.000 3.592) 4.495 7.672 ( 7.705 -0.000 -5.733) 9.604 8.062 ( 9.750 -0.000 3.269) 10.284 8.251 ( 16.139 -0.000 -4.472) 16.747 8.676 ( -12.931 0.000 14.932) 19.753 8.728 ( -8.906 0.000 1.180) 8.984 9.228 ( -4.449 0.000 5.484) 7.062 9.521 ( -5.764 0.000 -2.949) 6.474 9.830 ( 3.466 -0.000 7.706) 8.449 10.090 ( -6.653 0.000 -1.931) 6.928 10.391 ( -2.045 0.000 0.426) 2.089 10.484 ( -14.361 0.000 -4.322) 14.998 10.534 ( -2.672 0.000 5.035) 5.700 10.742 ( -8.956 0.000 -2.368) 9.264 11.333 ( -3.660 0.000 4.598) 5.877 11.517 ( -11.691 0.000 -2.414) 11.938 13.481 ( -1.632 0.000 2.008) 2.587 13.583 ( 3.784 -0.000 -1.387) 4.030 13.606 ( 5.216 -0.000 4.013) 6.581 13.764 ( 2.974 -0.000 -2.554) 3.921 15.749 ( 3.138 -0.000 -3.498) 4.699 15.800 ( 2.469 -0.000 -4.880) 5.469 16.055 ( 5.795 -0.000 2.436) 6.286 16.139 ( -6.937 0.000 6.207) 9.309 16.312 ( 2.217 -0.000 -6.272) 6.652 16.412 ( -8.752 0.000 -3.273) 9.344 16.714 ( 3.317 -0.000 3.146) 4.572 16.718 ( 3.890 -0.000 2.052) 4.398 19.092 ( -1.954 0.000 0.646) 2.058 19.182 ( 3.296 -0.000 -3.085) 4.515 19.205 ( 6.386 -0.000 2.835) 6.987 19.374 ( 2.401 -0.000 -3.531) 4.270 23.644 ( -5.064 0.000 4.934) 7.071 23.860 ( -12.269 0.000 -3.362) 12.722 27.916 ( 28.159 -0.000 13.039) 31.031 28.325 ( -16.863 0.000 4.498) 17.453 28.489 ( -12.071 0.000 -4.270) 12.804 29.126 ( 14.289 -0.000 -33.555) 36.471 29.959 ( 3.568 -0.000 -4.928) 6.085 29.987 ( 11.161 -0.000 -1.999) 11.339 30.068 ( -13.385 0.000 1.419) 13.460 30.130 ( -11.287 0.000 -0.840) 11.318 32.438 ( 1.230 -0.000 -2.144) 2.472 32.448 ( -0.384 0.000 -0.724) 0.819 32.830 ( 0.765 -0.000 3.648) 3.727 33.001 ( 1.690 -0.000 3.820) 4.177 33.443 ( 8.397 -0.000 19.616) 21.337 34.033 ( 25.285 -0.000 -5.736) 25.928 35.245 ( -3.998 0.000 25.950) 26.257 36.262 ( -35.170 0.000 -12.862) 37.448 ======================= Grid point 129 (48/93) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 17.262 -7.924 6.535) 20.087 2.379 ( 10.234 -2.264 3.245) 10.972 2.725 ( 18.930 -2.504 8.720) 20.992 3.105 ( -12.278 4.386 6.347) 14.501 3.311 ( 4.406 -11.140 -3.642) 12.521 3.526 ( 3.800 3.445 -9.430) 10.734 3.641 ( 9.627 0.581 -3.473) 10.251 3.798 ( 16.575 -0.396 -3.802) 17.010 3.959 ( 6.135 -2.608 -0.419) 6.680 4.167 ( 7.944 2.082 -9.834) 12.812 4.394 ( -6.803 3.884 5.194) 9.399 4.539 ( -0.640 9.751 0.085) 9.772 4.835 ( 10.045 -3.800 4.745) 11.742 5.124 ( -6.564 3.760 4.863) 8.993 5.290 ( 7.074 -3.321 -6.217) 9.986 5.404 ( -8.068 -2.037 7.533) 11.225 5.418 ( 2.822 3.182 10.117) 10.974 5.597 ( 7.412 -8.996 -4.561) 12.516 5.790 ( 4.815 -1.882 2.181) 5.611 5.852 ( 5.865 -2.309 1.838) 6.565 6.218 ( 2.163 3.677 -4.334) 6.081 6.284 ( 2.204 -0.627 1.245) 2.608 6.309 ( 7.289 0.934 -7.536) 10.526 6.413 ( -0.197 -8.194 -1.836) 8.400 6.788 ( -8.475 7.838 -7.799) 13.932 7.004 ( -3.943 4.254 -6.704) 8.865 7.121 ( -0.096 2.333 7.156) 7.527 7.456 ( -0.095 -1.840 -3.372) 3.842 7.586 ( 2.224 7.826 4.978) 9.538 7.765 ( 4.145 -0.333 -6.238) 7.497 8.176 ( 4.198 1.598 4.740) 6.530 8.429 ( 7.067 1.429 -3.463) 7.998 8.500 ( -7.262 2.196 6.761) 10.162 8.575 ( -8.573 0.456 1.685) 8.749 9.172 ( -4.316 -1.453 4.415) 6.342 9.446 ( -3.697 0.718 -3.728) 5.299 9.890 ( 3.701 -0.773 2.713) 4.654 9.989 ( -6.256 -0.005 -1.096) 6.351 10.251 ( -10.523 2.512 0.835) 10.851 10.381 ( -3.558 -2.255 -3.020) 5.183 10.509 ( -1.195 -0.403 3.353) 3.583 10.604 ( -9.461 -1.718 0.056) 9.616 11.298 ( -1.010 0.167 1.283) 1.641 11.349 ( -9.784 -0.668 -0.131) 9.808 13.457 ( -3.349 -2.733 3.315) 5.448 13.641 ( 1.920 -2.009 -3.134) 4.189 13.700 ( 5.489 -1.367 2.937) 6.374 13.807 ( 2.708 0.185 -1.477) 3.090 15.762 ( -6.829 0.063 0.784) 6.874 15.803 ( 3.946 0.031 -0.026) 3.946 16.024 ( -7.650 -0.120 0.614) 7.676 16.155 ( 4.715 0.423 -3.881) 6.122 16.311 ( 0.072 1.089 -0.686) 1.289 16.350 ( 1.235 -0.184 -2.159) 2.494 16.733 ( 4.279 5.239 1.551) 6.939 16.760 ( 4.118 3.656 1.245) 5.645 19.025 ( -1.624 5.663 2.200) 6.289 19.175 ( 4.512 7.703 -2.586) 9.294 19.329 ( 4.537 -2.843 -0.266) 5.360 19.419 ( 0.645 -1.709 -2.301) 2.938 23.657 ( -1.029 -9.719 2.438) 10.073 23.774 ( -6.678 -9.231 -1.974) 11.563 28.017 ( -21.736 0.275 3.908) 22.086 28.184 ( -10.282 3.884 -0.098) 10.992 28.360 ( 11.238 -5.766 8.781) 15.383 29.301 ( 7.850 3.230 -28.668) 29.899 29.809 ( -14.048 -0.984 1.989) 14.223 29.921 ( -14.203 -0.775 -2.150) 14.386 30.035 ( 6.250 4.020 4.313) 8.593 30.146 ( 9.202 1.735 -1.451) 9.476 32.436 ( -0.815 0.218 -0.639) 1.058 32.461 ( 1.334 -0.546 -4.093) 4.340 32.797 ( 1.670 5.972 5.968) 8.607 33.030 ( 0.393 0.051 -0.485) 0.626 33.635 ( 5.073 -12.722 23.193) 26.935 34.476 ( 23.557 -9.486 -9.851) 27.239 35.264 ( 8.897 4.261 10.232) 14.213 35.766 ( -25.408 4.633 -8.247) 27.112 ======================= Grid point 130 (49/93) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 10.457 -2.410 -1.868) 10.893 2.540 ( 8.153 -6.636 -1.605) 10.634 2.807 ( -14.552 7.778 5.643) 17.438 3.092 ( 16.505 -10.302 16.241) 25.344 3.326 ( -9.014 3.007 -12.125) 15.405 3.607 ( 6.866 -9.560 -4.828) 12.722 3.831 ( -4.865 4.474 1.218) 6.721 3.898 ( 9.882 0.586 1.025) 9.952 4.006 ( -5.879 6.981 -5.732) 10.777 4.065 ( -5.790 2.305 1.493) 6.408 4.301 ( 1.223 4.028 1.086) 4.347 4.445 ( 0.482 3.129 -1.408) 3.465 4.929 ( -1.007 1.932 4.367) 4.880 5.081 ( 1.515 -4.921 4.448) 6.804 5.256 ( -8.045 -1.068 2.679) 8.546 5.405 ( 3.801 2.944 4.122) 6.333 5.514 ( 8.629 -0.381 3.996) 9.517 5.798 ( 3.054 -7.484 -8.578) 11.787 5.868 ( 1.147 -1.642 -1.519) 2.514 5.941 ( 6.092 2.355 2.228) 6.901 6.058 ( -7.647 3.415 -2.224) 8.665 6.343 ( -0.121 -4.975 -3.080) 5.853 6.467 ( 4.934 0.234 -2.449) 5.514 6.499 ( -2.052 8.079 0.520) 8.351 6.593 ( 3.453 -0.469 -6.878) 7.710 6.877 ( -5.902 2.155 -5.581) 8.404 7.053 ( -2.239 5.607 10.510) 12.121 7.444 ( 0.853 8.709 -3.524) 9.434 7.519 ( 1.467 4.881 5.661) 7.617 7.792 ( -0.636 1.431 -7.093) 7.264 8.100 ( -8.188 4.331 7.755) 12.081 8.375 ( -4.285 2.944 -0.749) 5.253 8.462 ( -0.997 -1.533 3.613) 4.050 8.547 ( 2.076 -1.468 -3.574) 4.386 9.127 ( -4.536 -2.546 3.455) 6.245 9.384 ( -3.363 1.047 -3.871) 5.234 9.880 ( -6.157 0.531 -0.162) 6.182 9.959 ( -0.287 -3.056 -2.478) 3.945 10.140 ( -0.731 -0.335 5.386) 5.446 10.369 ( 0.364 -0.015 -1.639) 1.679 10.443 ( -8.797 -3.297 -0.132) 9.395 10.560 ( -1.761 -3.725 -1.779) 4.488 11.223 ( -5.951 -1.570 3.408) 7.035 11.336 ( 2.683 -2.092 -0.716) 3.477 13.445 ( -3.978 -4.823 4.154) 7.506 13.685 ( 0.081 -3.001 -4.883) 5.732 13.789 ( 4.186 -0.850 1.895) 4.673 13.837 ( 2.001 0.875 0.268) 2.201 15.620 ( -11.008 -0.202 3.230) 11.474 15.860 ( 3.317 0.040 1.410) 3.604 15.915 ( -6.790 -0.379 -4.503) 8.156 16.152 ( -1.509 1.853 -5.356) 5.865 16.353 ( 4.156 1.793 3.905) 5.977 16.406 ( 5.813 -0.826 0.316) 5.879 16.730 ( 5.328 7.830 -0.372) 9.478 16.774 ( 4.507 4.709 -0.480) 6.536 18.922 ( -2.336 6.795 3.921) 8.186 19.146 ( 4.113 8.460 -3.775) 10.136 19.387 ( 0.102 0.348 -1.084) 1.143 19.439 ( 2.196 -0.281 -1.438) 2.640 23.823 ( 3.040 -15.679 0.703) 15.987 23.852 ( -1.602 -14.289 -0.333) 14.383 27.669 ( -24.090 -0.752 3.727) 24.388 27.867 ( -25.993 -3.478 -3.596) 26.470 28.620 ( 12.394 -0.549 9.124) 15.400 29.225 ( -11.411 3.612 -12.664) 17.425 29.671 ( -3.345 2.510 -3.094) 5.202 29.719 ( -12.853 -1.235 -1.997) 13.065 30.141 ( 11.090 0.600 4.202) 11.874 30.253 ( 7.395 1.239 -1.333) 7.616 32.423 ( -0.947 -0.512 -0.449) 1.167 32.489 ( 1.285 -0.741 -4.642) 4.873 32.758 ( 1.201 4.465 5.249) 6.995 33.010 ( 0.332 4.041 -2.588) 4.810 33.849 ( 0.917 -15.655 22.080) 27.083 34.878 ( 7.963 -10.419 -18.970) 23.062 35.397 ( 16.364 7.095 3.651) 18.206 35.457 ( -1.784 4.484 2.750) 5.554 ======================= Grid point 131 (50/93) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -12.360 4.205 0.813) 13.081 2.503 ( -0.130 8.747 -1.877) 8.947 2.773 ( 8.558 -4.826 -2.942) 10.256 3.122 ( -14.005 2.401 -9.965) 17.355 3.369 ( -15.467 1.246 15.877) 22.200 3.457 ( -7.579 -0.130 6.965) 10.294 3.722 ( -0.589 6.624 1.517) 6.821 3.843 ( 2.171 -1.224 1.362) 2.840 3.945 ( -3.658 8.507 -0.632) 9.282 4.017 ( -1.731 -2.685 -4.053) 5.161 4.351 ( 10.105 -0.017 3.090) 10.567 4.475 ( 3.063 -1.041 -4.313) 5.392 4.842 ( -8.222 1.557 3.196) 8.957 5.136 ( -6.153 -2.730 3.511) 7.592 5.181 ( -2.500 -1.951 -4.725) 5.690 5.362 ( -1.699 3.311 5.699) 6.806 5.645 ( 9.897 3.963 -0.397) 10.669 5.737 ( -9.245 2.811 -7.174) 12.035 5.835 ( -4.545 2.652 -4.479) 6.910 5.973 ( 3.547 8.879 2.307) 9.836 6.044 ( 0.359 -2.551 0.181) 2.583 6.270 ( -2.230 8.673 -3.731) 9.701 6.388 ( -4.521 -2.308 0.621) 5.114 6.460 ( 2.209 1.589 1.989) 3.370 6.749 ( 7.146 0.713 -1.970) 7.447 6.818 ( -3.604 -2.613 -0.569) 4.488 6.982 ( 1.270 1.615 3.957) 4.459 7.280 ( 0.342 18.076 -1.520) 18.143 7.517 ( -0.800 -1.117 1.266) 1.868 7.688 ( -8.167 5.146 -6.019) 11.376 7.900 ( -9.883 5.272 8.976) 14.354 8.266 ( -5.737 2.228 -3.201) 6.937 8.530 ( 4.088 -5.865 5.036) 8.745 8.612 ( 2.705 -3.690 -3.334) 5.661 9.103 ( -4.197 -5.250 1.932) 6.993 9.321 ( -3.366 0.049 -3.286) 4.705 9.776 ( -5.870 0.702 2.868) 6.571 9.984 ( -2.143 -5.176 -4.302) 7.063 10.210 ( 6.042 -1.892 4.645) 7.853 10.328 ( -8.239 -4.410 3.651) 10.033 10.440 ( 2.812 -2.983 -5.114) 6.554 10.582 ( -1.040 -3.653 -6.677) 7.682 11.199 ( -1.395 -3.734 7.673) 8.647 11.435 ( 5.089 -4.339 -2.352) 7.089 13.446 ( -3.950 -5.735 4.858) 8.491 13.713 ( -0.840 -2.834 -5.436) 6.188 13.840 ( 2.359 1.116 0.971) 2.784 13.846 ( 1.047 1.399 1.120) 2.075 15.455 ( -10.800 -0.697 4.796) 11.837 15.832 ( -4.590 -0.333 -9.957) 10.969 15.899 ( 2.001 0.228 2.434) 3.160 16.098 ( -1.893 2.595 -3.684) 4.887 16.387 ( 3.202 1.652 8.656) 9.376 16.488 ( 3.790 1.408 2.017) 4.518 16.728 ( 6.781 7.500 -2.915) 10.522 16.792 ( 5.094 4.869 -3.072) 7.687 18.803 ( -2.980 6.375 5.218) 8.760 19.106 ( 2.521 7.184 -6.309) 9.888 19.357 ( -0.303 2.541 2.065) 3.288 19.489 ( 2.619 -1.285 -3.202) 4.332 24.032 ( 2.750 -14.856 1.713) 15.205 24.105 ( 7.872 -18.192 -0.960) 19.846 27.314 ( -23.786 -1.218 3.205) 24.031 27.504 ( -29.144 -6.627 -3.892) 30.141 28.701 ( -2.318 0.212 5.202) 5.699 28.956 ( -17.615 2.233 -3.660) 18.130 29.598 ( -3.547 -0.634 -1.023) 3.746 29.613 ( 0.248 4.331 -2.044) 4.796 30.326 ( 11.085 -1.960 0.138) 11.257 30.346 ( 5.676 -0.335 -0.507) 5.709 32.419 ( -0.832 -1.085 0.010) 1.367 32.511 ( 1.111 0.523 -2.920) 3.167 32.731 ( 0.218 2.008 1.991) 2.836 32.951 ( 0.250 6.659 -3.224) 7.403 34.017 ( -1.284 -13.786 17.999) 22.709 34.835 ( -10.917 3.631 -13.875) 18.024 35.619 ( 21.792 6.467 2.919) 22.918 35.696 ( 21.825 -10.511 0.546) 24.230 ======================= Grid point 132 (51/93) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -17.767 14.005 6.739) 23.606 2.467 ( -5.481 6.629 -5.429) 10.172 2.666 ( -25.582 9.496 -1.629) 27.337 2.831 ( -15.354 6.502 -7.256) 18.184 2.992 ( -8.827 -5.961 15.369) 18.699 3.417 ( -0.999 12.429 -0.904) 12.502 3.669 ( -4.862 19.877 -1.867) 20.548 3.715 ( 7.682 3.237 12.727) 15.214 3.934 ( 1.417 1.868 4.710) 5.261 4.117 ( 2.436 -14.231 -8.209) 16.609 4.502 ( 6.783 0.804 -2.874) 7.411 4.539 ( 3.424 -1.497 2.417) 4.450 4.634 ( -12.503 5.593 3.503) 14.138 4.932 ( -8.764 15.895 -9.292) 20.391 5.105 ( -11.159 -3.023 5.181) 12.669 5.367 ( 1.504 1.126 2.259) 2.938 5.593 ( -3.590 1.847 -5.108) 6.511 5.692 ( -2.746 3.690 -1.773) 4.930 5.718 ( 0.861 3.952 -7.259) 8.310 5.870 ( -1.381 3.205 1.458) 3.782 6.004 ( -6.037 2.163 2.246) 6.794 6.229 ( 4.783 5.007 -1.343) 7.054 6.418 ( 4.893 -1.497 -1.489) 5.329 6.462 ( 0.460 2.633 3.499) 4.403 6.775 ( 0.937 -0.032 2.413) 2.589 6.787 ( -3.795 0.969 3.314) 5.131 7.031 ( 2.388 2.046 -2.495) 4.014 7.115 ( 2.331 8.086 -1.621) 8.570 7.440 ( -14.036 2.930 -4.075) 14.907 7.499 ( -5.018 2.054 -2.499) 5.970 7.692 ( -6.940 7.042 11.412) 15.099 8.155 ( -4.093 3.944 -5.402) 7.841 8.662 ( 4.427 -2.547 2.828) 5.838 8.758 ( 5.678 -12.348 1.856) 13.717 9.113 ( -4.353 -6.681 -1.367) 8.090 9.325 ( 0.862 -6.141 -1.727) 6.438 9.696 ( -4.056 0.116 5.550) 6.875 10.010 ( -2.998 -5.409 -6.172) 8.738 10.257 ( -7.529 -6.301 4.936) 10.989 10.343 ( 5.328 -3.453 2.375) 6.779 10.532 ( 3.617 -3.123 -4.754) 6.741 10.621 ( 0.414 -4.268 -9.350) 10.287 11.254 ( 1.242 -5.126 10.700) 11.929 11.578 ( 5.329 -6.166 -3.726) 8.961 13.456 ( -3.280 -5.466 5.499) 8.419 13.722 ( -0.908 -0.933 -4.432) 4.619 13.832 ( 0.250 2.086 0.745) 2.229 13.843 ( 0.778 2.836 0.175) 2.946 15.320 ( -8.046 -1.112 6.077) 10.144 15.779 ( -2.787 -0.001 -13.343) 13.631 15.917 ( 0.939 0.277 2.207) 2.415 16.040 ( -1.847 2.354 -1.977) 3.587 16.411 ( 2.254 1.546 12.172) 12.475 16.477 ( 0.603 5.292 3.244) 6.236 16.756 ( 5.884 5.845 -6.333) 10.436 16.817 ( 5.323 4.301 -4.694) 8.298 18.696 ( -2.669 4.115 6.082) 7.814 19.057 ( 0.120 4.546 -8.788) 9.895 19.345 ( 2.777 2.275 4.856) 6.038 19.551 ( 2.533 -2.866 -4.581) 5.968 24.257 ( 5.738 -11.848 4.972) 14.072 24.480 ( 13.130 -19.069 -3.411) 23.403 26.986 ( -20.359 -0.795 2.120) 20.485 27.140 ( -29.753 -7.863 -3.694) 30.996 28.577 ( -11.676 0.240 2.314) 11.905 28.674 ( -15.597 1.830 -1.155) 15.746 29.568 ( 1.019 4.692 0.607) 4.839 29.616 ( 2.799 -1.212 -1.091) 3.240 30.428 ( 3.820 -1.430 0.796) 4.156 30.507 ( 8.410 -2.849 -2.302) 9.174 32.420 ( -0.650 -0.932 0.634) 1.301 32.504 ( 0.703 3.105 0.215) 3.191 32.722 ( -0.483 -0.780 -2.564) 2.724 32.867 ( 0.035 7.957 -3.332) 8.627 34.129 ( -1.746 -9.660 12.244) 15.694 34.612 ( -7.119 9.875 -6.667) 13.880 35.907 ( 22.787 2.295 6.614) 23.838 36.200 ( 20.220 -19.072 -4.322) 28.130 ======================= Grid point 133 (52/93) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -18.361 13.670 12.732) 26.194 1.937 ( -25.794 17.530 20.485) 37.313 2.364 ( -16.343 7.375 -14.528) 23.076 2.549 ( -1.096 12.896 -11.892) 17.577 3.008 ( 0.206 -0.448 16.332) 16.340 3.189 ( -4.124 17.695 -0.248) 18.171 3.336 ( -3.721 25.025 -2.341) 25.408 3.842 ( 8.445 -0.169 11.358) 14.154 3.906 ( 3.939 8.348 2.954) 9.692 4.186 ( -9.690 5.355 -6.590) 12.884 4.356 ( -7.630 8.100 -1.753) 11.265 4.536 ( 0.422 0.764 0.463) 0.988 4.589 ( 3.579 -1.458 -1.713) 4.227 4.731 ( 4.080 6.971 -7.276) 10.871 4.934 ( -13.346 0.439 4.021) 13.946 5.304 ( -1.809 7.161 -4.535) 8.667 5.546 ( -0.443 5.220 0.066) 5.239 5.588 ( -1.195 2.292 -4.717) 5.379 5.708 ( 2.630 9.923 -4.052) 11.036 5.856 ( -8.197 -3.410 0.876) 8.921 5.952 ( 1.007 -11.037 2.584) 11.380 6.227 ( 3.057 3.849 7.861) 9.271 6.453 ( 1.121 -1.684 -2.957) 3.583 6.551 ( 8.059 1.278 -0.660) 8.187 6.649 ( -7.884 0.464 -5.587) 9.675 6.823 ( 6.703 5.073 6.351) 10.536 6.971 ( -6.079 3.046 -5.274) 8.605 7.143 ( 1.786 -2.459 -1.065) 3.221 7.227 ( -8.517 -0.637 1.467) 8.665 7.339 ( -9.120 4.226 3.299) 10.579 7.568 ( -1.543 4.454 7.448) 8.814 8.049 ( -2.057 6.491 -8.358) 10.780 8.739 ( 2.680 -1.839 2.201) 3.925 9.018 ( 5.703 -15.708 7.148) 18.176 9.130 ( -2.120 -5.757 -6.152) 8.688 9.492 ( 4.853 -13.341 -0.076) 14.196 9.651 ( -2.726 -1.346 6.910) 7.549 10.009 ( -4.329 -4.428 -7.009) 9.353 10.232 ( -5.555 -6.934 4.912) 10.152 10.453 ( 3.360 -3.421 3.059) 5.688 10.604 ( 1.305 -2.726 -6.725) 7.373 10.693 ( 1.510 -4.982 -8.956) 10.359 11.339 ( 1.467 -5.527 12.355) 13.615 11.723 ( 3.462 -6.654 -4.770) 8.888 13.473 ( -1.898 -4.202 5.881) 7.473 13.704 ( -0.493 2.237 -2.454) 3.357 13.805 ( 0.117 4.324 -0.083) 4.326 13.807 ( -0.203 2.397 -0.259) 2.419 15.241 ( -4.234 -1.247 6.736) 8.053 15.744 ( -1.447 0.483 -15.310) 15.386 15.925 ( 0.362 0.063 2.146) 2.177 15.996 ( -1.285 0.573 -0.788) 1.613 16.412 ( -0.397 5.199 2.684) 5.865 16.417 ( 0.988 1.786 13.953) 14.102 16.750 ( 3.270 7.370 -9.569) 12.513 16.845 ( 3.201 2.779 -5.230) 6.732 18.637 ( -1.471 0.422 6.467) 6.646 19.012 ( -0.667 2.161 -9.318) 9.588 19.383 ( 3.830 0.696 5.813) 6.996 19.632 ( 2.307 -4.630 -5.735) 7.723 24.453 ( 5.474 -6.063 10.286) 13.135 24.940 ( 16.432 -20.832 -8.145) 27.755 26.732 ( -12.757 0.167 0.224) 12.760 26.788 ( -26.053 -5.415 -2.137) 26.696 28.397 ( -9.661 0.799 1.360) 9.789 28.460 ( -9.314 1.758 -0.885) 9.520 29.530 ( 0.672 4.110 2.626) 4.923 29.682 ( 2.660 -2.165 -3.051) 4.590 30.490 ( 2.028 -1.386 2.062) 3.207 30.637 ( 4.549 -2.168 -3.597) 6.192 32.418 ( -0.386 0.060 1.094) 1.162 32.466 ( 0.120 4.162 1.771) 4.525 32.723 ( -0.469 0.948 -4.352) 4.479 32.784 ( -0.228 4.509 -4.031) 6.052 34.183 ( -1.194 -3.014 4.889) 5.866 34.396 ( -3.113 14.000 -2.474) 14.554 36.248 ( 17.967 -6.475 12.514) 22.833 36.719 ( 12.962 -25.564 -6.013) 29.287 ======================= Grid point 134 (53/93) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 13.609 19.394) 23.692 1.518 ( 0.000 18.712 28.699) 34.260 2.096 ( 0.000 12.127 -12.621) 17.503 2.369 ( 0.000 18.839 -11.119) 21.876 2.904 ( 0.000 21.955 20.716) 30.186 2.933 ( 0.000 18.634 -2.165) 18.759 3.007 ( 0.000 26.033 -2.727) 26.176 3.841 ( 0.000 6.692 -8.261) 10.631 3.940 ( -0.000 -2.054 8.938) 9.171 3.967 ( 0.000 3.319 6.587) 7.376 4.206 ( 0.000 7.478 -2.837) 7.998 4.612 ( 0.000 8.753 -16.288) 18.491 4.654 ( -0.000 -7.210 -7.471) 10.382 4.717 ( -0.000 -0.221 8.143) 8.146 4.752 ( 0.000 1.946 2.149) 2.899 5.192 ( 0.000 8.090 -4.423) 9.220 5.499 ( 0.000 8.860 -5.685) 10.527 5.521 ( 0.000 1.406 1.862) 2.333 5.593 ( 0.000 10.864 -5.212) 12.049 5.812 ( -0.000 -0.728 11.535) 11.558 6.095 ( -0.000 -5.422 -6.653) 8.582 6.310 ( -0.000 -13.248 9.837) 16.501 6.392 ( 0.000 7.144 6.494) 9.655 6.608 ( 0.000 3.678 -3.967) 5.410 6.655 ( -0.000 -7.025 -15.984) 17.460 6.831 ( 0.000 0.623 -9.009) 9.031 6.849 ( 0.000 4.047 8.602) 9.507 7.165 ( 0.000 3.775 -3.931) 5.450 7.186 ( -0.000 -4.581 10.594) 11.542 7.262 ( -0.000 -3.336 9.296) 9.876 7.529 ( -0.000 -1.334 2.167) 2.544 7.940 ( 0.000 9.681 -11.915) 15.352 8.785 ( -0.000 -2.626 2.205) 3.429 9.179 ( -0.000 -5.191 -6.037) 7.962 9.263 ( -0.000 -16.713 8.790) 18.883 9.623 ( -0.000 -0.094 7.259) 7.260 9.745 ( -0.000 -18.242 2.281) 18.384 10.011 ( -0.000 -3.547 -6.787) 7.658 10.257 ( -0.000 -5.884 4.923) 7.671 10.516 ( -0.000 -3.076 3.733) 4.837 10.638 ( -0.000 -1.687 -6.363) 6.583 10.764 ( -0.000 -4.902 -9.910) 11.056 11.414 ( -0.000 -4.956 12.996) 13.909 11.824 ( -0.000 -5.839 -5.270) 7.865 13.494 ( -0.000 -1.734 5.547) 5.812 13.660 ( 0.000 4.546 -1.247) 4.714 13.751 ( 0.000 4.775 0.200) 4.780 13.771 ( 0.000 3.794 -0.050) 3.794 15.221 ( -0.000 -1.038 6.700) 6.780 15.726 ( 0.000 0.710 -15.676) 15.692 15.928 ( -0.000 -0.159 2.210) 2.216 15.999 ( -0.000 -2.947 -0.959) 3.099 16.364 ( 0.000 1.803 1.207) 2.169 16.403 ( 0.000 1.799 14.371) 14.483 16.685 ( 0.000 8.022 -11.418) 13.954 16.840 ( 0.000 2.270 -5.525) 5.974 18.644 ( -0.000 -3.494 6.167) 7.088 18.991 ( 0.000 0.596 -8.721) 8.741 19.417 ( -0.000 -0.207 6.337) 6.340 19.712 ( -0.000 -5.003 -7.280) 8.834 24.531 ( 0.000 1.132 16.662) 16.700 25.377 ( -0.000 -23.133 -16.796) 28.587 26.559 ( 0.000 0.426 1.160) 1.236 26.623 ( 0.000 0.747 -1.211) 1.423 28.303 ( 0.000 1.283 1.193) 1.752 28.366 ( 0.000 1.595 -1.148) 1.965 29.492 ( 0.000 3.530 3.929) 5.282 29.734 ( -0.000 -3.048 -5.486) 6.276 30.515 ( -0.000 -0.101 2.648) 2.650 30.686 ( -0.000 -0.133 -4.155) 4.157 32.401 ( 0.000 2.576 1.420) 2.942 32.429 ( 0.000 1.660 1.245) 2.075 32.668 ( 0.000 5.611 -1.529) 5.816 32.782 ( -0.000 -2.640 -6.766) 7.263 34.115 ( 0.000 15.586 -1.394) 15.648 34.231 ( 0.000 8.430 -3.251) 9.035 36.547 ( -0.000 -17.390 20.464) 26.854 37.143 ( -0.000 -28.723 -6.005) 29.344 ======================= Grid point 139 (54/93) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 14.469 -0.000 7.748) 16.413 2.503 ( 5.497 -0.000 -0.492) 5.519 2.943 ( -11.316 0.000 9.915) 15.046 2.994 ( 15.941 -0.000 4.223) 16.491 3.229 ( -2.683 0.000 -10.037) 10.389 3.479 ( -6.495 0.000 -4.459) 7.878 3.876 ( 15.018 -0.000 1.478) 15.090 3.916 ( -6.772 0.000 0.341) 6.781 4.050 ( 6.049 -0.000 -4.233) 7.383 4.170 ( -12.288 0.000 5.072) 13.294 4.362 ( 7.940 -0.000 -10.043) 12.802 4.558 ( -6.564 0.000 -2.914) 7.182 4.948 ( 7.172 -0.000 5.720) 9.173 5.103 ( -12.938 0.000 6.901) 14.663 5.146 ( 2.194 -0.000 1.621) 2.728 5.481 ( 7.347 -0.000 -8.396) 11.156 5.516 ( 7.327 -0.000 8.303) 11.074 5.634 ( 6.236 -0.000 -3.043) 6.939 5.810 ( 2.919 -0.000 7.484) 8.033 5.978 ( 7.264 -0.000 1.236) 7.368 6.154 ( -9.502 0.000 -3.028) 9.972 6.224 ( -7.375 0.000 -1.737) 7.576 6.459 ( 12.187 -0.000 -0.324) 12.191 6.519 ( 13.726 -0.000 -8.370) 16.077 6.665 ( -11.495 0.000 -1.444) 11.585 6.981 ( -4.597 0.000 -4.949) 6.755 7.121 ( -1.931 0.000 4.932) 5.296 7.410 ( -2.553 0.000 -3.438) 4.282 7.665 ( 1.969 -0.000 6.079) 6.390 7.824 ( 2.724 -0.000 -4.615) 5.359 8.179 ( -5.126 0.000 7.417) 9.016 8.393 ( -10.231 0.000 -0.099) 10.232 8.492 ( 2.222 -0.000 1.316) 2.582 8.506 ( -1.066 0.000 -4.781) 4.899 9.093 ( -4.962 0.000 6.069) 7.839 9.391 ( -4.303 0.000 -3.680) 5.662 9.902 ( -5.077 0.000 -0.929) 5.162 9.904 ( -2.481 0.000 -3.072) 3.949 10.144 ( -2.193 0.000 5.720) 6.126 10.349 ( 0.620 -0.000 -4.331) 4.375 10.418 ( -11.964 0.000 3.319) 12.416 10.508 ( 0.071 -0.000 0.574) 0.578 11.205 ( -7.399 0.000 2.332) 7.758 11.310 ( 1.905 -0.000 -1.687) 2.545 13.384 ( -3.931 0.000 4.439) 5.930 13.646 ( 0.292 -0.000 -5.296) 5.304 13.776 ( 5.156 -0.000 2.432) 5.700 13.848 ( 2.314 -0.000 -0.227) 2.326 15.619 ( -11.182 0.000 3.455) 11.704 15.860 ( 3.496 -0.000 2.694) 4.414 15.910 ( -6.702 0.000 -5.105) 8.425 16.179 ( -0.707 0.000 -6.608) 6.645 16.384 ( 2.285 -0.000 1.749) 2.877 16.386 ( 7.836 -0.000 1.760) 8.031 16.807 ( 2.784 -0.000 1.442) 3.135 16.853 ( 4.351 -0.000 -0.775) 4.419 19.019 ( -3.411 0.000 3.059) 4.582 19.251 ( 0.594 -0.000 -6.486) 6.513 19.407 ( 6.601 -0.000 0.402) 6.613 19.437 ( 1.938 -0.000 0.189) 1.948 23.610 ( 2.558 -0.000 0.791) 2.678 23.652 ( -2.155 0.000 -0.777) 2.291 27.661 ( -24.415 0.000 3.319) 24.640 27.827 ( -27.472 0.000 -2.811) 27.615 28.616 ( 14.097 -0.000 9.735) 17.131 29.259 ( -14.710 0.000 -12.212) 19.118 29.703 ( -12.478 0.000 -1.847) 12.614 29.706 ( -0.092 0.000 -7.096) 7.097 30.154 ( 7.877 -0.000 4.700) 9.173 30.270 ( 6.086 -0.000 -1.409) 6.247 32.418 ( -1.455 0.000 -0.688) 1.610 32.477 ( 1.201 -0.000 -6.219) 6.334 32.856 ( 0.898 -0.000 4.933) 5.014 33.028 ( 0.361 -0.000 4.843) 4.856 33.654 ( 5.571 -0.000 20.602) 21.342 34.732 ( 14.354 -0.000 -18.971) 23.790 35.481 ( 15.575 -0.000 2.655) 15.800 35.518 ( -8.446 0.000 2.346) 8.765 ======================= Grid point 140 (55/93) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -1.509 1.496 -0.565) 2.199 2.534 ( 5.396 -9.040 5.080) 11.690 2.747 ( -5.740 9.029 2.156) 10.914 3.141 ( -14.591 -2.381 -11.738) 18.877 3.234 ( 11.428 -4.860 14.446) 19.050 3.443 ( -15.324 -2.271 3.311) 15.841 3.628 ( -11.347 -5.679 0.568) 12.701 3.995 ( -2.516 3.873 4.545) 6.480 4.020 ( -2.231 3.548 -1.746) 4.540 4.141 ( 7.131 3.005 -2.454) 8.118 4.374 ( -4.245 5.852 -3.135) 7.880 4.511 ( 5.005 -0.515 -11.322) 12.389 4.889 ( -6.973 4.989 5.361) 10.112 5.032 ( -3.356 -4.483 5.906) 8.139 5.190 ( 2.657 2.883 -1.464) 4.185 5.504 ( 0.089 2.579 -4.134) 4.873 5.666 ( 9.222 -0.228 0.878) 9.266 5.775 ( 4.949 -1.059 -2.820) 5.794 5.863 ( 1.217 0.043 6.816) 6.923 5.926 ( -6.967 -2.465 -3.975) 8.392 6.103 ( 1.798 0.688 -1.304) 2.325 6.193 ( 0.816 -5.012 -1.680) 5.349 6.458 ( -10.259 4.832 5.027) 12.404 6.628 ( 9.470 3.126 1.560) 10.094 6.726 ( 10.915 -0.554 -6.195) 12.563 6.858 ( -4.556 6.057 -3.858) 8.505 7.073 ( -1.170 2.712 6.330) 6.985 7.396 ( -4.502 -5.799 -3.395) 8.089 7.644 ( 1.259 8.009 5.326) 9.700 7.810 ( -2.111 5.289 -4.009) 6.964 8.036 ( -7.898 5.448 6.268) 11.460 8.268 ( -7.719 -2.511 -1.244) 8.212 8.446 ( -3.743 -0.293 -1.939) 4.225 8.552 ( 2.398 -1.949 -4.469) 5.433 9.023 ( -5.457 -1.833 7.010) 9.071 9.313 ( -6.289 -0.597 -2.849) 6.930 9.805 ( -5.158 1.957 -0.489) 5.539 9.874 ( -3.734 -4.014 -2.779) 6.146 10.186 ( 5.598 -0.340 5.070) 7.561 10.251 ( -10.816 -1.708 4.899) 11.997 10.388 ( 2.971 -1.597 -5.423) 6.386 10.515 ( -0.559 -1.647 -3.908) 4.278 11.134 ( -3.043 -1.595 6.083) 6.987 11.360 ( 3.296 -1.807 -3.092) 4.867 13.341 ( -3.739 -2.661 5.184) 6.924 13.652 ( -0.741 -1.674 -6.848) 7.089 13.846 ( 3.789 -0.022 1.686) 4.147 13.873 ( 1.399 0.599 1.213) 1.946 15.447 ( -10.998 -0.137 4.976) 12.073 15.825 ( -4.457 -0.205 -8.556) 9.649 15.907 ( 2.504 0.272 1.691) 3.034 16.159 ( -0.524 1.870 -5.764) 6.083 16.415 ( 2.376 0.555 7.243) 7.643 16.505 ( 7.170 0.339 2.554) 7.619 16.839 ( 2.823 1.428 -0.546) 3.210 16.892 ( 3.815 3.416 -2.402) 5.656 18.937 ( -4.047 3.605 4.362) 6.957 19.233 ( -0.621 2.694 -7.788) 8.264 19.445 ( 2.379 3.540 1.767) 4.616 19.493 ( 4.664 1.327 -1.021) 4.956 23.704 ( 1.191 -9.731 0.591) 9.822 23.734 ( 5.532 -10.378 -0.502) 11.771 27.296 ( -23.360 -0.349 2.229) 23.469 27.409 ( -28.325 -1.870 -1.957) 28.454 28.710 ( -1.895 0.323 5.488) 5.815 28.983 ( -18.941 0.395 -3.965) 19.355 29.583 ( -2.805 -0.321 0.006) 2.823 29.701 ( 0.154 2.248 -5.642) 6.076 30.292 ( 9.287 -0.768 1.212) 9.398 30.343 ( 3.968 0.008 -0.916) 4.072 32.399 ( -1.228 -0.523 -0.541) 1.440 32.498 ( 1.067 -0.687 -7.331) 7.440 32.835 ( 0.940 5.015 6.202) 8.031 33.036 ( 0.115 0.211 2.467) 2.479 33.767 ( 3.786 -6.087 18.386) 19.734 34.824 ( -3.890 -2.166 -23.045) 23.471 35.572 ( 13.699 -1.462 8.697) 16.292 35.722 ( 17.606 2.225 -0.035) 17.746 ======================= Grid point 141 (56/93) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -17.756 5.538 4.861) 19.224 2.600 ( -3.413 4.196 -2.178) 5.831 2.793 ( 5.100 -10.722 -4.517) 12.703 2.866 ( -25.175 -0.151 6.941) 26.114 2.907 ( -22.304 10.048 7.319) 25.535 3.535 ( 10.966 -8.183 12.761) 18.710 3.761 ( 1.350 -3.985 -8.923) 9.866 3.842 ( -4.084 2.336 3.528) 5.881 3.957 ( -1.538 2.989 -0.694) 3.433 4.059 ( -2.197 11.219 -8.998) 14.548 4.410 ( 3.457 -8.251 4.595) 10.057 4.562 ( 1.280 0.564 -6.633) 6.779 4.729 ( -6.140 5.893 3.302) 9.128 4.978 ( -7.340 -1.660 2.497) 7.929 5.175 ( -0.180 3.672 -5.270) 6.426 5.428 ( -1.022 7.563 3.205) 8.277 5.634 ( -6.792 0.709 -10.354) 12.404 5.796 ( -2.825 3.287 -7.744) 8.874 5.837 ( 2.589 3.922 7.770) 9.080 5.995 ( 3.655 -1.626 3.012) 5.008 6.149 ( 0.891 10.267 2.671) 10.646 6.218 ( -0.520 -5.950 -6.137) 8.563 6.377 ( 6.749 -2.098 3.841) 8.043 6.592 ( 0.854 12.077 -2.844) 12.437 6.783 ( 1.151 0.216 5.100) 5.233 6.820 ( -1.496 2.608 4.753) 5.624 7.090 ( 8.613 3.032 -1.104) 9.197 7.375 ( -8.179 -5.544 -4.072) 10.687 7.495 ( -2.234 17.163 1.213) 17.350 7.644 ( -6.178 8.657 -3.008) 11.053 7.859 ( -6.448 6.312 8.253) 12.228 8.191 ( -5.056 -0.935 -2.175) 5.583 8.467 ( -0.487 -9.941 0.141) 9.954 8.617 ( 2.596 -2.756 -6.110) 7.187 8.978 ( -4.668 -3.954 5.994) 8.565 9.232 ( -5.854 -2.898 -2.234) 6.904 9.716 ( -3.644 1.675 2.076) 4.517 9.882 ( -2.678 -5.278 -3.770) 7.017 10.137 ( -7.998 -3.545 6.098) 10.664 10.288 ( 5.837 -1.426 2.834) 6.643 10.464 ( 3.218 -2.719 -6.237) 7.526 10.533 ( -0.165 -2.912 -6.827) 7.424 11.144 ( -0.026 -3.801 9.306) 10.053 11.450 ( 3.593 -4.441 -3.892) 6.912 13.331 ( -3.009 -4.534 5.722) 7.897 13.664 ( -0.974 -2.798 -7.351) 7.926 13.875 ( 0.539 1.391 1.949) 2.454 13.886 ( 2.078 1.034 0.831) 2.466 15.302 ( -8.240 -0.528 6.380) 10.434 15.777 ( -2.321 -0.145 -13.190) 13.394 15.929 ( 1.230 0.614 2.065) 2.481 16.119 ( -0.558 3.636 -4.274) 5.639 16.442 ( 2.194 0.965 11.919) 12.157 16.577 ( 4.230 2.841 4.164) 6.580 16.863 ( 3.174 2.438 -3.607) 5.388 16.905 ( 3.430 3.410 -3.916) 6.224 18.826 ( -3.440 5.316 5.423) 8.337 19.174 ( -1.465 4.557 -8.725) 9.951 19.433 ( 2.708 4.464 2.747) 5.900 19.531 ( 3.230 1.891 -2.329) 4.409 23.894 ( 3.312 -16.246 2.340) 16.744 24.007 ( 7.823 -18.696 -1.859) 20.352 26.974 ( -19.147 -0.326 0.903) 19.172 27.024 ( -25.486 -2.749 -0.952) 25.651 28.590 ( -10.977 0.628 2.438) 11.262 28.708 ( -15.610 0.994 -1.886) 15.754 29.603 ( 3.497 -0.083 0.730) 3.573 29.666 ( -0.243 3.243 -1.556) 3.605 30.397 ( 2.605 -0.947 0.125) 2.775 30.439 ( 7.251 -2.448 -1.576) 7.814 32.394 ( -0.686 -1.083 -0.210) 1.299 32.523 ( 0.897 -0.871 -6.948) 7.060 32.784 ( 0.567 5.452 5.898) 8.052 33.016 ( 0.188 3.630 -0.359) 3.653 33.895 ( 1.736 -8.548 16.400) 18.575 34.738 ( -5.962 1.622 -15.778) 16.945 35.876 ( 16.249 -8.599 3.766) 18.766 35.958 ( 16.224 1.704 -0.079) 16.313 ======================= Grid point 142 (57/93) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -23.367 7.866 9.469) 26.411 2.334 ( -18.175 12.118 24.860) 33.094 2.499 ( -9.812 5.731 -13.750) 17.837 2.655 ( -4.367 2.591 -2.629) 5.718 2.988 ( 3.838 -4.213 -0.846) 5.762 3.561 ( -0.550 13.272 1.515) 13.370 3.793 ( 0.449 3.716 1.913) 4.203 3.822 ( -3.050 7.852 0.130) 8.424 3.921 ( 4.413 -14.009 -4.383) 15.328 4.032 ( 3.157 0.105 1.938) 3.706 4.478 ( -8.395 1.004 -1.864) 8.658 4.559 ( -1.072 -5.437 3.446) 6.526 4.640 ( 5.826 4.736 2.885) 8.043 4.876 ( -8.096 -1.034 2.273) 8.473 5.049 ( -3.068 11.558 -10.027) 15.606 5.410 ( 3.306 0.394 -0.213) 3.336 5.535 ( -4.601 0.086 -10.834) 11.771 5.653 ( -3.840 7.490 2.188) 8.697 5.814 ( -0.925 2.029 3.189) 3.891 5.953 ( -2.906 11.537 1.492) 11.991 6.005 ( 1.471 9.333 0.687) 9.474 6.334 ( 5.236 -3.085 -9.319) 11.125 6.469 ( 2.778 6.974 1.170) 7.597 6.581 ( 8.904 0.503 2.381) 9.231 6.711 ( -6.253 4.294 3.288) 8.268 6.809 ( 2.629 -3.344 11.192) 11.974 7.161 ( 4.427 9.384 -5.055) 11.542 7.200 ( -11.818 5.390 2.722) 13.271 7.297 ( -1.137 8.474 -5.762) 10.310 7.460 ( -6.002 7.164 -4.829) 10.520 7.709 ( -2.810 6.506 11.642) 13.629 8.139 ( -2.108 0.943 -3.493) 4.187 8.637 ( 2.118 -15.440 2.244) 15.745 8.690 ( 1.748 -3.992 -4.003) 5.918 8.976 ( -3.001 -5.894 2.485) 7.065 9.237 ( -1.281 -8.184 -2.437) 8.634 9.656 ( -2.042 1.220 3.961) 4.620 9.900 ( -2.854 -4.791 -4.876) 7.408 10.092 ( -4.136 -4.812 6.434) 9.037 10.384 ( 3.548 -2.423 2.151) 4.805 10.532 ( 1.036 -3.310 -9.434) 10.052 10.585 ( 1.260 -4.130 -5.424) 6.933 11.207 ( 0.757 -5.465 11.245) 12.525 11.563 ( 2.537 -6.639 -4.545) 8.436 13.353 ( -1.768 -5.391 6.115) 8.341 13.685 ( -0.645 -2.850 -6.881) 7.476 13.859 ( 0.060 2.125 1.871) 2.832 13.886 ( 0.696 2.497 0.176) 2.598 15.215 ( -4.286 -0.959 7.337) 8.551 15.752 ( -0.998 0.206 -16.001) 16.033 15.933 ( 0.398 0.656 2.244) 2.372 16.062 ( -0.562 4.278 -2.319) 4.899 16.455 ( 1.293 1.451 14.414) 14.545 16.563 ( 1.265 6.313 4.990) 8.146 16.877 ( 2.661 3.271 -6.076) 7.396 16.914 ( 2.227 2.812 -5.388) 6.473 18.720 ( -1.829 5.564 6.060) 8.428 19.095 ( -1.283 4.762 -8.901) 10.175 19.430 ( 2.645 3.292 2.965) 5.160 19.559 ( 1.747 -0.593 -3.377) 3.847 24.151 ( 3.351 -17.941 4.858) 18.887 24.384 ( 7.781 -24.796 -3.873) 26.276 26.715 ( -17.565 -1.552 0.292) 17.635 26.738 ( -11.472 0.221 -0.528) 11.486 28.421 ( -8.477 1.104 1.571) 8.691 28.502 ( -8.938 1.719 -1.411) 9.210 29.623 ( -0.031 3.577 0.815) 3.669 29.657 ( 2.768 -0.207 -0.439) 2.811 30.445 ( 1.422 -1.960 1.353) 2.774 30.561 ( 3.937 -3.650 -3.016) 6.158 32.400 ( -0.303 -1.179 0.305) 1.255 32.538 ( 0.554 0.637 -4.384) 4.464 32.734 ( 0.065 3.524 2.820) 4.514 32.958 ( 0.151 6.826 -2.132) 7.153 34.013 ( 0.323 -8.933 14.083) 16.680 34.627 ( -2.967 5.698 -9.608) 11.558 36.167 ( 10.996 -1.487 1.546) 11.204 36.226 ( 10.116 -16.068 -0.447) 18.993 ======================= Grid point 143 (58/93) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 9.840 16.115) 18.882 2.003 ( 0.000 20.604 24.194) 31.778 2.320 ( 0.000 7.484 -14.579) 16.388 2.622 ( 0.000 1.958 -10.113) 10.301 3.023 ( 0.000 1.257 7.985) 8.084 3.370 ( 0.000 17.499 1.441) 17.558 3.578 ( 0.000 20.942 -4.478) 21.416 3.870 ( -0.000 -4.521 4.761) 6.566 4.023 ( 0.000 2.117 7.098) 7.406 4.133 ( -0.000 -7.669 -7.080) 10.437 4.350 ( 0.000 4.863 -4.337) 6.516 4.520 ( 0.000 6.363 3.609) 7.315 4.719 ( 0.000 0.573 11.356) 11.371 4.763 ( 0.000 1.071 -1.993) 2.262 4.891 ( 0.000 11.204 -8.535) 14.085 5.375 ( 0.000 7.200 -14.434) 16.130 5.529 ( 0.000 1.147 3.007) 3.219 5.639 ( -0.000 -12.060 -3.504) 12.559 5.769 ( 0.000 13.419 0.568) 13.431 5.830 ( -0.000 -6.046 7.666) 9.763 5.879 ( 0.000 13.199 -2.827) 13.498 6.366 ( 0.000 12.324 9.345) 15.467 6.458 ( -0.000 -7.926 -13.976) 16.066 6.560 ( 0.000 6.787 3.866) 7.811 6.663 ( 0.000 1.678 -0.183) 1.688 6.964 ( -0.000 -11.457 5.463) 12.693 6.994 ( 0.000 7.537 6.927) 10.237 7.016 ( 0.000 12.686 -7.757) 14.869 7.260 ( 0.000 4.081 -2.934) 5.026 7.309 ( 0.000 6.758 -1.071) 6.842 7.621 ( 0.000 5.803 9.461) 11.099 8.096 ( 0.000 3.996 -5.853) 7.087 8.738 ( -0.000 -2.372 0.040) 2.373 8.859 ( -0.000 -17.591 5.703) 18.492 9.030 ( -0.000 -7.619 -3.620) 8.436 9.365 ( -0.000 -13.469 -2.497) 13.699 9.628 ( 0.000 0.705 5.177) 5.225 9.921 ( -0.000 -4.018 -4.820) 6.275 10.121 ( -0.000 -5.538 5.533) 7.828 10.444 ( -0.000 -3.001 2.553) 3.940 10.578 ( -0.000 -3.325 -9.879) 10.423 10.648 ( -0.000 -4.783 -5.873) 7.575 11.282 ( -0.000 -6.085 12.194) 13.628 11.667 ( -0.000 -7.376 -4.938) 8.877 13.402 ( -0.000 -5.319 6.259) 8.214 13.705 ( -0.000 -1.145 -5.246) 5.370 13.832 ( 0.000 2.351 1.024) 2.564 13.854 ( 0.000 3.738 -0.083) 3.739 15.195 ( -0.000 -1.167 7.429) 7.520 15.740 ( 0.000 0.504 -16.606) 16.614 15.930 ( 0.000 0.383 2.193) 2.226 16.012 ( 0.000 3.310 -0.746) 3.393 16.446 ( 0.000 1.809 14.898) 15.008 16.488 ( 0.000 7.480 4.315) 8.635 16.850 ( 0.000 5.382 -8.298) 9.891 16.900 ( 0.000 2.738 -5.769) 6.386 18.651 ( 0.000 3.818 6.462) 7.506 19.036 ( 0.000 3.429 -9.079) 9.705 19.426 ( 0.000 1.565 3.760) 4.073 19.599 ( -0.000 -3.634 -4.433) 5.732 24.373 ( -0.000 -14.368 8.050) 16.469 24.768 ( -0.000 -28.015 -6.893) 28.851 26.569 ( 0.000 0.409 1.310) 1.372 26.641 ( 0.000 0.736 -1.348) 1.536 28.337 ( 0.000 1.495 1.368) 2.027 28.410 ( 0.000 2.026 -1.344) 2.432 29.580 ( 0.000 3.854 2.017) 4.350 29.685 ( -0.000 -0.981 -1.887) 2.127 30.482 ( -0.000 -2.263 2.145) 3.118 30.636 ( -0.000 -3.670 -3.643) 5.171 32.410 ( -0.000 -0.838 0.835) 1.183 32.517 ( 0.000 3.707 -0.010) 3.707 32.714 ( -0.000 -0.032 -2.460) 2.460 32.869 ( 0.000 8.373 -2.998) 8.893 34.111 ( -0.000 -7.558 10.655) 13.063 34.514 ( 0.000 10.080 -5.292) 11.384 36.301 ( -0.000 -5.627 5.070) 7.575 36.532 ( -0.000 -22.544 -3.438) 22.805 ======================= Grid point 150 (59/93) ======================= q-point: ( 0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -16.877 0.000 4.060) 17.359 2.595 ( 7.135 -0.000 3.367) 7.889 2.651 ( -17.722 0.000 4.927) 18.394 2.869 ( -18.464 0.000 -12.550) 22.326 3.137 ( -10.696 0.000 22.732) 25.123 3.444 ( 2.794 -0.000 -3.759) 4.683 3.488 ( 8.162 -0.000 0.161) 8.163 3.951 ( -5.900 0.000 6.110) 8.494 3.995 ( -3.497 0.000 1.443) 3.783 4.213 ( -2.399 0.000 -9.845) 10.133 4.324 ( -2.705 0.000 -3.852) 4.707 4.546 ( -0.443 0.000 -9.343) 9.353 4.830 ( -4.152 0.000 14.271) 14.863 4.970 ( -1.896 0.000 -2.978) 3.530 5.306 ( 6.118 -0.000 -3.366) 6.982 5.412 ( -7.498 0.000 -11.185) 13.466 5.698 ( -12.053 0.000 -6.336) 13.617 5.786 ( -1.146 0.000 -7.001) 7.094 5.916 ( 3.793 -0.000 16.785) 17.208 5.978 ( 13.021 -0.000 -0.518) 13.031 6.052 ( 6.688 -0.000 -2.398) 7.105 6.336 ( 10.894 -0.000 -0.329) 10.899 6.339 ( -8.549 0.000 8.973) 12.393 6.780 ( 6.959 -0.000 5.513) 8.878 6.803 ( -5.012 0.000 -4.911) 7.016 6.838 ( -0.748 0.000 0.208) 0.776 7.132 ( 7.892 -0.000 -0.133) 7.893 7.271 ( -5.682 0.000 -3.462) 6.654 7.703 ( 0.028 -0.000 6.365) 6.365 7.813 ( -3.207 0.000 -0.937) 3.341 7.964 ( -7.193 0.000 2.263) 7.541 8.134 ( -5.755 0.000 -3.186) 6.578 8.338 ( -7.644 0.000 -0.971) 7.706 8.579 ( 2.143 -0.000 -7.631) 7.927 8.931 ( -4.801 0.000 8.758) 9.988 9.194 ( -8.014 0.000 -1.673) 8.187 9.770 ( -2.955 0.000 -1.746) 3.432 9.784 ( -2.828 0.000 -0.739) 2.923 10.097 ( -7.643 0.000 6.777) 10.214 10.273 ( 5.623 -0.000 3.736) 6.751 10.426 ( 3.020 -0.000 -7.579) 8.158 10.498 ( -0.302 0.000 -5.572) 5.580 11.098 ( -0.546 0.000 8.603) 8.620 11.395 ( 2.764 -0.000 -4.053) 4.906 13.275 ( -2.820 0.000 5.836) 6.481 13.628 ( -0.938 0.000 -8.060) 8.114 13.892 ( 0.638 -0.000 2.128) 2.222 13.897 ( 2.657 -0.000 1.139) 2.891 15.296 ( -8.421 0.000 6.475) 10.623 15.775 ( -2.112 0.000 -13.030) 13.200 15.938 ( 1.326 -0.000 2.062) 2.451 16.168 ( 0.015 -0.000 -6.075) 6.075 16.452 ( 2.232 -0.000 11.701) 11.912 16.610 ( 5.806 -0.000 4.095) 7.105 16.879 ( 1.785 -0.000 -1.033) 2.062 16.953 ( 2.009 -0.000 -4.302) 4.747 18.889 ( -4.426 0.000 5.120) 6.768 19.230 ( -1.350 0.000 -8.996) 9.097 19.493 ( 1.592 -0.000 2.959) 3.360 19.584 ( 4.658 -0.000 -1.988) 5.064 23.674 ( 2.503 -0.000 1.717) 3.035 23.764 ( 6.442 -0.000 -1.632) 6.646 26.970 ( -18.739 0.000 0.554) 18.747 26.994 ( -24.167 0.000 -0.341) 24.170 28.598 ( -10.829 0.000 2.431) 11.099 28.719 ( -15.317 0.000 -2.038) 15.452 29.603 ( 3.802 -0.000 1.344) 4.033 29.705 ( -0.943 0.000 -2.443) 2.619 30.387 ( 2.076 -0.000 -0.187) 2.085 30.409 ( 6.743 -0.000 -1.193) 6.848 32.380 ( -0.750 0.000 -0.478) 0.889 32.508 ( 0.843 -0.000 -8.584) 8.626 32.880 ( 0.591 -0.000 5.811) 5.841 33.035 ( 0.176 -0.000 5.130) 5.133 33.792 ( 3.411 -0.000 15.140) 15.520 34.744 ( -4.600 0.000 -20.578) 21.085 35.784 ( 14.260 -0.000 7.862) 16.284 35.978 ( 14.247 -0.000 -1.386) 14.314 ======================= Grid point 152 (60/93) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -24.222 2.585 8.813) 25.904 2.409 ( -10.724 -0.061 17.132) 20.212 2.597 ( -14.192 1.659 -13.659) 19.767 2.741 ( 3.547 -10.432 0.242) 11.021 2.943 ( -1.135 16.924 9.332) 19.360 3.578 ( 5.673 -10.210 5.517) 12.918 3.677 ( 3.944 -9.667 -7.782) 13.021 3.834 ( -4.731 5.228 5.288) 8.813 3.929 ( -4.075 0.685 6.082) 7.353 4.140 ( 0.379 4.321 -11.817) 12.588 4.309 ( -3.916 -5.181 -0.824) 6.547 4.501 ( -4.759 0.207 -6.871) 8.361 4.780 ( 0.402 3.512 13.890) 14.333 4.931 ( -1.451 3.831 -4.080) 5.781 5.237 ( -1.064 7.332 -9.164) 11.784 5.457 ( 1.208 -1.536 -4.637) 5.032 5.543 ( -4.411 -0.834 -7.635) 8.857 5.686 ( -9.050 -2.405 -12.273) 15.437 5.936 ( 3.316 7.780 18.133) 20.008 6.147 ( 7.240 3.673 -0.209) 8.120 6.182 ( -1.725 4.179 3.405) 5.660 6.269 ( 9.576 -2.719 2.819) 10.346 6.493 ( 8.395 -1.218 -1.270) 8.577 6.683 ( -2.787 4.848 -1.121) 5.703 6.775 ( -5.619 1.654 0.802) 5.912 6.819 ( -0.978 1.397 4.631) 4.935 7.221 ( -3.546 -0.939 0.797) 3.754 7.268 ( 9.342 1.708 -1.846) 9.675 7.621 ( -3.387 11.507 0.193) 11.996 7.685 ( -3.932 9.966 -1.329) 10.796 7.839 ( -3.949 4.236 5.805) 8.200 8.098 ( -3.118 -3.463 -3.286) 5.702 8.308 ( -3.077 -10.936 0.853) 11.393 8.616 ( 1.076 -2.117 -8.765) 9.081 8.886 ( -2.541 -2.029 7.519) 8.192 9.103 ( -5.286 -3.199 -1.135) 6.282 9.704 ( -1.572 2.970 0.604) 3.414 9.792 ( -1.574 -4.383 -2.485) 5.279 10.020 ( -3.661 -1.431 7.702) 8.647 10.347 ( 3.389 -0.719 2.550) 4.302 10.468 ( 0.915 -1.734 -11.228) 11.398 10.513 ( 0.892 -1.800 -3.657) 4.173 11.111 ( 0.316 -2.334 10.198) 10.467 11.446 ( 1.716 -2.901 -4.455) 5.587 13.256 ( -1.550 -2.417 6.193) 6.826 13.626 ( -0.615 -1.619 -8.420) 8.597 13.893 ( 0.164 0.756 2.527) 2.643 13.923 ( 1.223 0.738 0.511) 1.517 15.199 ( -4.486 -0.377 7.665) 8.889 15.755 ( -0.675 0.046 -16.323) 16.337 15.948 ( 0.395 0.409 2.501) 2.565 16.153 ( -0.015 2.636 -5.475) 6.076 16.479 ( 1.499 0.544 14.709) 14.795 16.666 ( 2.959 2.347 5.489) 6.662 16.903 ( 1.174 -0.301 -2.529) 2.805 16.966 ( 1.071 1.377 -5.618) 5.883 18.820 ( -2.659 2.175 5.771) 6.716 19.196 ( -1.001 2.705 -9.635) 10.058 19.498 ( 1.057 2.246 3.355) 4.174 19.619 ( 2.632 3.470 -2.732) 5.142 23.776 ( 2.177 -10.709 2.909) 11.309 23.924 ( 4.975 -11.970 -2.631) 13.227 26.695 ( -14.755 -0.330 0.885) 14.785 26.742 ( -10.714 0.105 -0.852) 10.748 28.441 ( -8.073 0.496 1.690) 8.263 28.532 ( -8.503 0.719 -1.668) 8.695 29.658 ( 2.913 0.129 0.742) 3.009 29.683 ( -0.647 1.381 -0.135) 1.531 30.413 ( 0.989 -0.709 0.692) 1.400 30.496 ( 3.494 -1.572 -2.459) 4.553 32.377 ( -0.252 -0.650 -0.330) 0.771 32.523 ( 0.503 -0.758 -8.699) 8.747 32.855 ( 0.349 4.847 6.583) 8.182 33.039 ( 0.103 0.259 3.178) 3.191 33.854 ( 1.658 -3.715 14.129) 14.703 34.687 ( -2.507 0.526 -16.883) 17.076 35.987 ( 8.515 -4.775 5.616) 11.262 36.152 ( 8.357 -0.186 -1.549) 8.502 ======================= Grid point 153 (61/93) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.000 5.278 14.293) 15.237 2.309 ( 0.000 4.164 23.081) 23.454 2.449 ( 0.000 3.668 -14.930) 15.374 2.746 ( 0.000 13.845 1.566) 13.933 2.918 ( -0.000 -12.377 -1.341) 12.450 3.693 ( 0.000 10.003 2.560) 10.325 3.754 ( -0.000 -7.507 -7.497) 10.609 3.808 ( -0.000 -10.362 4.606) 11.339 3.869 ( 0.000 4.155 4.248) 5.942 4.113 ( 0.000 5.195 -4.124) 6.633 4.390 ( -0.000 -15.524 1.504) 15.597 4.434 ( 0.000 2.562 -6.084) 6.602 4.757 ( 0.000 2.663 15.708) 15.932 4.836 ( 0.000 7.900 -6.272) 10.087 5.147 ( 0.000 7.988 -12.895) 15.169 5.446 ( -0.000 -0.062 4.235) 4.235 5.513 ( 0.000 4.467 -18.179) 18.720 5.671 ( -0.000 -3.925 -2.287) 4.543 5.843 ( 0.000 9.177 12.665) 15.641 6.048 ( 0.000 9.316 3.599) 9.987 6.155 ( 0.000 9.441 -1.550) 9.568 6.359 ( 0.000 0.597 -7.393) 7.417 6.584 ( 0.000 1.637 3.526) 3.888 6.658 ( 0.000 1.404 2.613) 2.966 6.733 ( 0.000 4.360 0.542) 4.394 6.741 ( -0.000 -4.326 5.685) 7.143 7.152 ( 0.000 5.386 5.756) 7.883 7.336 ( 0.000 2.152 -1.544) 2.649 7.389 ( 0.000 17.606 -5.978) 18.594 7.528 ( 0.000 11.330 -5.446) 12.571 7.754 ( 0.000 5.458 11.154) 12.418 8.111 ( -0.000 -2.500 -2.422) 3.481 8.458 ( -0.000 -16.286 0.822) 16.307 8.658 ( -0.000 -3.685 -7.568) 8.418 8.900 ( -0.000 -3.604 5.662) 6.712 9.126 ( -0.000 -7.362 -1.735) 7.563 9.661 ( 0.000 2.247 2.343) 3.246 9.828 ( -0.000 -4.119 -3.594) 5.466 10.018 ( -0.000 -2.999 7.487) 8.065 10.388 ( -0.000 -1.650 1.926) 2.536 10.500 ( -0.000 -2.927 -12.054) 12.404 10.553 ( -0.000 -3.308 -3.118) 4.545 11.154 ( -0.000 -4.406 11.054) 11.899 11.510 ( -0.000 -5.520 -4.667) 7.229 13.283 ( -0.000 -4.260 6.300) 7.605 13.647 ( -0.000 -2.753 -8.059) 8.517 13.881 ( 0.000 1.537 2.412) 2.860 13.917 ( 0.000 1.735 0.186) 1.745 15.171 ( -0.000 -0.781 7.993) 8.031 15.748 ( 0.000 0.228 -17.370) 17.371 15.944 ( 0.000 0.655 2.612) 2.693 16.111 ( 0.000 4.365 -3.889) 5.847 16.481 ( 0.000 1.137 15.497) 15.539 16.643 ( 0.000 5.084 5.820) 7.728 16.915 ( 0.000 0.387 -4.246) 4.263 16.957 ( 0.000 1.893 -6.087) 6.375 18.763 ( 0.000 4.180 5.967) 7.285 19.142 ( 0.000 4.851 -9.174) 10.377 19.480 ( 0.000 2.350 2.677) 3.562 19.594 ( 0.000 3.540 -2.972) 4.622 23.964 ( -0.000 -17.636 4.054) 18.096 24.165 ( -0.000 -21.671 -3.484) 21.949 26.577 ( 0.000 0.242 1.435) 1.455 26.655 ( 0.000 0.444 -1.458) 1.524 28.367 ( 0.000 1.036 1.582) 1.891 28.453 ( 0.000 1.487 -1.583) 2.171 29.656 ( 0.000 2.431 0.810) 2.563 29.679 ( 0.000 0.150 -0.041) 0.156 30.434 ( -0.000 -1.552 1.311) 2.031 30.550 ( -0.000 -3.052 -3.022) 4.295 32.385 ( -0.000 -1.060 -0.055) 1.062 32.538 ( -0.000 -0.948 -7.668) 7.726 32.793 ( 0.000 5.812 6.205) 8.502 33.020 ( 0.000 3.511 0.175) 3.516 33.926 ( -0.000 -6.649 14.261) 15.735 34.652 ( 0.000 2.476 -13.103) 13.335 36.144 ( -0.000 -10.701 2.836) 11.071 36.228 ( -0.000 -1.489 -0.736) 1.661 ======================= Grid point 163 (62/93) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.000 -0.000 13.685) 13.685 2.336 ( -0.000 -0.000 17.401) 17.401 2.491 ( -0.000 -0.000 -14.933) 14.933 2.703 ( -0.000 -0.000 1.126) 1.126 3.068 ( -0.000 -0.000 9.341) 9.341 3.503 ( -0.000 -0.000 -9.374) 9.374 3.691 ( -0.000 -0.000 9.265) 9.265 3.817 ( -0.000 -0.000 2.365) 2.365 3.894 ( -0.000 -0.000 9.049) 9.049 4.175 ( -0.000 -0.000 -8.777) 8.777 4.232 ( -0.000 -0.000 -8.074) 8.074 4.466 ( -0.000 -0.000 -7.057) 7.057 4.801 ( -0.000 -0.000 16.732) 16.732 4.954 ( -0.000 -0.000 -5.053) 5.053 5.274 ( -0.000 -0.000 -10.668) 10.668 5.486 ( 0.000 0.000 -3.639) 3.639 5.493 ( -0.000 -0.000 -5.393) 5.393 5.567 ( -0.000 -0.000 -18.620) 18.620 6.032 ( -0.000 -0.000 23.720) 23.720 6.160 ( -0.000 -0.000 4.748) 4.748 6.271 ( -0.000 -0.000 -1.262) 1.262 6.353 ( -0.000 -0.000 4.821) 4.821 6.540 ( -0.000 -0.000 -3.891) 3.891 6.671 ( -0.000 -0.000 3.195) 3.195 6.735 ( -0.000 -0.000 -4.817) 4.817 6.793 ( -0.000 -0.000 -1.191) 1.191 7.219 ( -0.000 -0.000 5.603) 5.603 7.358 ( -0.000 -0.000 -0.771) 0.771 7.671 ( 0.000 0.000 2.456) 2.456 7.712 ( -0.000 -0.000 -0.427) 0.427 7.837 ( -0.000 -0.000 0.574) 0.574 8.048 ( -0.000 -0.000 -5.229) 5.229 8.198 ( -0.000 -0.000 3.814) 3.814 8.610 ( -0.000 -0.000 -8.777) 8.777 8.856 ( -0.000 -0.000 6.851) 6.851 9.037 ( -0.000 -0.000 -0.587) 0.587 9.730 ( -0.000 -0.000 -1.474) 1.474 9.737 ( -0.000 -0.000 -0.403) 0.403 9.986 ( -0.000 -0.000 8.190) 8.190 10.370 ( -0.000 -0.000 2.548) 2.548 10.463 ( -0.000 -0.000 -12.941) 12.941 10.510 ( -0.000 -0.000 -2.642) 2.642 11.100 ( -0.000 -0.000 10.426) 10.426 11.441 ( -0.000 -0.000 -4.565) 4.565 13.230 ( -0.000 -0.000 6.339) 6.339 13.611 ( -0.000 -0.000 -8.743) 8.743 13.899 ( -0.000 -0.000 2.723) 2.723 13.937 ( -0.000 -0.000 0.319) 0.319 15.162 ( -0.000 -0.000 8.204) 8.204 15.751 ( -0.000 -0.000 -17.664) 17.664 15.953 ( -0.000 -0.000 2.899) 2.899 16.170 ( -0.000 -0.000 -6.101) 6.101 16.495 ( -0.000 -0.000 15.759) 15.759 16.705 ( -0.000 -0.000 6.104) 6.104 16.907 ( -0.000 -0.000 -2.215) 2.215 16.980 ( -0.000 -0.000 -6.231) 6.231 18.810 ( -0.000 -0.000 6.018) 6.018 19.204 ( -0.000 -0.000 -10.219) 10.219 19.520 ( -0.000 -0.000 3.924) 3.924 19.661 ( -0.000 -0.000 -3.060) 3.060 23.728 ( -0.000 -0.000 3.150) 3.150 23.891 ( -0.000 -0.000 -2.948) 2.948 26.580 ( -0.000 -0.000 1.483) 1.483 26.660 ( -0.000 -0.000 -1.499) 1.499 28.380 ( -0.000 -0.000 1.681) 1.681 28.471 ( -0.000 -0.000 -1.694) 1.694 29.682 ( -0.000 -0.000 0.518) 0.518 29.685 ( -0.000 -0.000 0.415) 0.415 30.416 ( -0.000 -0.000 0.923) 0.923 30.513 ( -0.000 -0.000 -2.697) 2.697 32.371 ( -0.000 -0.000 -0.380) 0.380 32.523 ( -0.000 -0.000 -9.143) 9.143 32.889 ( -0.000 -0.000 6.135) 6.135 33.038 ( -0.000 -0.000 5.081) 5.081 33.847 ( -0.000 -0.000 13.133) 13.133 34.671 ( -0.000 -0.000 -17.251) 17.251 36.024 ( -0.000 -0.000 6.194) 6.194 36.213 ( -0.000 -0.000 -1.959) 1.959 ======================= Grid point 210 (63/93) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 0.000 -22.661) 22.661 1.282 ( 0.000 0.000 22.661) 22.661 1.285 ( 0.000 0.000 -26.177) 26.177 1.285 ( 0.000 0.000 26.177) 26.177 2.304 ( 0.000 0.000 -5.089) 5.089 2.304 ( 0.000 0.000 5.089) 5.089 3.003 ( 0.000 0.000 -60.095) 60.095 3.003 ( 0.000 0.000 60.095) 60.095 3.892 ( 0.000 0.000 -3.340) 3.340 3.892 ( 0.000 0.000 3.340) 3.340 4.231 ( 0.000 0.000 -1.336) 1.336 4.231 ( 0.000 0.000 1.336) 1.336 4.856 ( 0.000 0.000 -13.069) 13.069 4.856 ( 0.000 0.000 13.069) 13.069 4.969 ( 0.000 0.000 -14.987) 14.987 4.969 ( 0.000 0.000 14.987) 14.987 5.180 ( 0.000 0.000 -7.930) 7.930 5.180 ( 0.000 0.000 7.930) 7.930 5.536 ( 0.000 0.000 -11.149) 11.149 5.536 ( 0.000 0.000 11.149) 11.149 6.371 ( 0.000 0.000 -6.110) 6.110 6.371 ( 0.000 0.000 6.110) 6.110 6.405 ( 0.000 0.000 -22.994) 22.994 6.405 ( 0.000 0.000 22.994) 22.994 6.802 ( 0.000 0.000 -11.153) 11.153 6.802 ( 0.000 0.000 11.153) 11.153 6.940 ( 0.000 0.000 -6.929) 6.929 6.940 ( 0.000 0.000 6.929) 6.929 7.144 ( 0.000 0.000 -11.048) 11.048 7.144 ( 0.000 0.000 11.048) 11.048 7.848 ( 0.000 0.000 -3.528) 3.528 7.848 ( 0.000 0.000 3.528) 3.528 9.038 ( 0.000 0.000 -10.499) 10.499 9.038 ( 0.000 0.000 10.499) 10.499 9.865 ( 0.000 0.000 -12.064) 12.064 9.865 ( 0.000 0.000 12.064) 12.064 10.441 ( 0.000 0.000 -12.952) 12.952 10.441 ( 0.000 0.000 12.952) 12.952 10.578 ( 0.000 0.000 -5.063) 5.063 10.578 ( 0.000 0.000 5.063) 5.063 10.680 ( 0.000 0.000 -6.023) 6.023 10.680 ( 0.000 0.000 6.023) 6.023 11.789 ( 0.000 0.000 -10.434) 10.434 11.789 ( 0.000 0.000 10.434) 10.434 13.387 ( 0.000 0.000 -0.061) 0.061 13.387 ( 0.000 0.000 0.061) 0.061 13.598 ( 0.000 0.000 -1.993) 1.993 13.598 ( 0.000 0.000 1.993) 1.993 15.427 ( 0.000 0.000 -11.048) 11.048 15.427 ( 0.000 0.000 11.048) 11.048 16.095 ( 0.000 0.000 -5.739) 5.739 16.095 ( 0.000 0.000 5.739) 5.739 16.560 ( 0.000 0.000 -0.122) 0.122 16.560 ( 0.000 0.000 0.122) 0.122 16.617 ( 0.000 0.000 -10.440) 10.440 16.617 ( 0.000 0.000 10.440) 10.440 19.106 ( 0.000 0.000 -7.058) 7.058 19.106 ( 0.000 0.000 7.058) 7.058 19.313 ( 0.000 0.000 -2.849) 2.849 19.313 ( 0.000 0.000 2.849) 2.849 24.960 ( 0.000 0.000 -3.416) 3.416 24.960 ( 0.000 0.000 3.416) 3.416 26.575 ( 0.000 0.000 -1.454) 1.454 26.575 ( 0.000 0.000 1.454) 1.454 28.301 ( 0.000 0.000 -1.511) 1.511 28.301 ( 0.000 0.000 1.511) 1.511 29.517 ( 0.000 0.000 -4.033) 4.033 29.517 ( 0.000 0.000 4.033) 4.033 30.542 ( 0.000 0.000 -4.195) 4.195 30.542 ( 0.000 0.000 4.195) 4.195 32.421 ( 0.000 0.000 -0.851) 0.851 32.421 ( 0.000 0.000 0.851) 0.851 32.818 ( 0.000 0.000 -0.660) 0.660 32.818 ( 0.000 0.000 0.660) 0.660 33.155 ( 0.000 0.000 -0.485) 0.485 33.155 ( 0.000 0.000 0.485) 0.485 38.045 ( 0.000 0.000 -0.575) 0.575 38.045 ( 0.000 0.000 0.575) 0.575 ======================= Grid point 212 (64/93) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 7.640 -14.486 -21.488) 27.018 1.440 ( 7.640 -14.486 21.488) 27.018 1.615 ( 32.324 -5.576 -17.526) 37.190 1.615 ( 32.324 -5.576 17.526) 37.190 2.424 ( 9.572 -7.207 -4.639) 12.848 2.424 ( 9.572 -7.207 4.639) 12.848 3.095 ( 8.253 -6.085 -53.052) 54.033 3.095 ( 8.253 -6.085 53.052) 54.033 3.950 ( 3.126 -2.643 -2.621) 4.861 3.950 ( 3.126 -2.643 2.621) 4.861 4.180 ( -2.533 2.897 -1.804) 4.250 4.180 ( -2.533 2.897 1.804) 4.250 4.755 ( -7.276 1.370 -6.063) 9.570 4.755 ( -7.276 1.370 6.063) 9.570 5.057 ( 9.764 0.957 -10.811) 14.599 5.057 ( 9.764 0.957 10.811) 14.599 5.289 ( 9.141 -2.301 -2.637) 9.788 5.289 ( 9.141 -2.301 2.637) 9.788 5.569 ( 0.995 -4.003 -12.106) 12.789 5.569 ( 0.995 -4.003 12.106) 12.789 6.193 ( -9.735 -0.289 -14.282) 17.287 6.193 ( -9.735 -0.289 14.282) 17.287 6.581 ( 7.899 3.615 -11.328) 14.276 6.581 ( 7.899 3.615 11.328) 14.276 6.855 ( 2.741 -3.128 -9.817) 10.662 6.855 ( 2.741 -3.128 9.817) 10.662 6.963 ( 5.789 -0.234 -3.544) 6.792 6.963 ( 5.789 -0.234 3.544) 6.792 7.198 ( 2.648 -7.082 -8.783) 11.589 7.198 ( 2.648 -7.082 8.783) 11.589 7.808 ( 1.410 7.790 -4.068) 8.901 7.808 ( 1.410 7.790 4.068) 8.901 9.018 ( -1.286 2.308 -9.607) 9.964 9.018 ( -1.286 2.308 9.607) 9.964 9.814 ( -6.316 1.150 -9.858) 11.764 9.814 ( -6.316 1.150 9.858) 11.764 10.244 ( -9.478 9.205 -3.507) 13.670 10.244 ( -9.478 9.205 3.507) 13.670 10.585 ( 0.123 1.263 -9.390) 9.475 10.585 ( 0.123 1.263 9.390) 9.475 10.724 ( 4.482 4.296 -7.704) 9.895 10.724 ( 4.482 4.296 7.704) 9.895 11.755 ( -3.347 1.241 -10.044) 10.659 11.755 ( -3.347 1.241 10.044) 10.659 13.437 ( 1.672 -5.281 -1.649) 5.779 13.437 ( 1.672 -5.281 1.649) 5.779 13.621 ( 0.610 -2.914 -2.363) 3.801 13.621 ( 0.610 -2.914 2.363) 3.801 15.449 ( 2.921 -0.149 -9.556) 9.993 15.449 ( 2.921 -0.149 9.556) 9.993 16.083 ( 0.257 2.364 -5.894) 6.355 16.083 ( 0.257 2.364 5.894) 6.355 16.508 ( -0.278 5.183 -0.994) 5.285 16.508 ( -0.278 5.183 0.994) 5.285 16.626 ( 0.539 1.438 -8.315) 8.456 16.626 ( 0.539 1.438 8.315) 8.456 19.016 ( 0.731 10.918 -4.278) 11.749 19.016 ( 0.731 10.918 4.278) 11.749 19.377 ( -4.586 -11.969 -4.607) 13.621 19.377 ( -4.586 -11.969 4.607) 13.621 24.723 ( -27.196 -6.611 -14.942) 31.727 24.723 ( -27.196 -6.611 14.942) 31.727 26.884 ( 32.645 2.551 -12.714) 35.127 26.884 ( 32.645 2.551 12.714) 35.127 28.413 ( 12.896 0.212 -2.256) 13.093 28.413 ( 12.896 0.212 2.256) 13.093 29.540 ( 1.057 -2.135 -5.760) 6.233 29.540 ( 1.057 -2.135 5.760) 6.233 30.517 ( -3.838 -0.791 -3.434) 5.210 30.517 ( -3.838 -0.791 3.434) 5.210 32.413 ( 0.343 1.401 -0.704) 1.605 32.413 ( 0.343 1.401 0.704) 1.605 32.778 ( 2.081 6.671 -6.822) 9.766 32.778 ( 2.081 6.671 6.822) 9.766 33.352 ( 4.576 -22.905 -4.280) 23.746 33.352 ( 4.576 -22.905 4.280) 23.746 37.642 ( -34.690 15.760 -13.126) 40.300 37.642 ( -34.690 15.760 13.126) 40.300 ======================= Grid point 214 (65/93) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 8.955 -13.918 -17.145) 23.830 1.748 ( 8.955 -13.918 17.145) 23.830 2.212 ( 33.234 -6.556 -15.236) 37.143 2.212 ( 33.234 -6.556 15.236) 37.143 2.731 ( 15.131 -12.148 -0.658) 19.416 2.731 ( 15.131 -12.148 0.658) 19.416 3.414 ( 17.686 -13.852 -35.216) 41.771 3.414 ( 17.686 -13.852 35.216) 41.771 3.892 ( -9.751 2.959 -0.411) 10.198 3.892 ( -9.751 2.959 0.411) 10.198 4.220 ( 7.562 -1.210 -4.494) 8.880 4.220 ( 7.562 -1.210 4.494) 8.880 4.668 ( -1.579 0.481 -6.722) 6.921 4.668 ( -1.579 0.481 6.722) 6.921 5.226 ( 12.538 -0.200 -9.088) 15.486 5.226 ( 12.538 -0.200 9.088) 15.486 5.432 ( 5.915 -0.713 -3.441) 6.880 5.432 ( 5.915 -0.713 3.441) 6.880 5.651 ( 2.679 -4.836 -11.407) 12.676 5.651 ( 2.679 -4.836 11.407) 12.676 6.082 ( -5.924 -0.798 -13.416) 14.688 6.082 ( -5.924 -0.798 13.416) 14.688 6.588 ( -1.920 0.204 -2.074) 2.834 6.588 ( -1.920 0.204 2.074) 2.834 6.829 ( -1.903 3.197 -12.820) 13.349 6.829 ( -1.903 3.197 12.820) 13.349 7.127 ( 12.231 4.751 -6.281) 14.547 7.127 ( 12.231 4.751 6.281) 14.547 7.382 ( 5.026 -10.187 -9.706) 14.941 7.382 ( 5.026 -10.187 9.706) 14.941 7.763 ( 7.233 7.229 -3.205) 10.716 7.763 ( 7.233 7.229 3.205) 10.716 8.937 ( -4.304 4.094 -8.205) 10.130 8.937 ( -4.304 4.094 8.205) 10.130 9.644 ( -10.326 4.700 -8.402) 14.118 9.644 ( -10.326 4.700 8.402) 14.118 10.062 ( -2.412 6.330 -10.990) 12.910 10.062 ( -2.412 6.330 10.990) 12.910 10.559 ( -2.019 0.872 -7.889) 8.190 10.559 ( -2.019 0.872 7.889) 8.190 10.684 ( 0.010 7.371 -7.277) 10.358 10.684 ( 0.010 7.371 7.277) 10.358 11.664 ( -5.812 2.149 -8.943) 10.880 11.664 ( -5.812 2.149 8.943) 10.880 13.534 ( 2.043 -5.861 -1.365) 6.355 13.534 ( 2.043 -5.861 1.365) 6.355 13.675 ( 0.842 -3.907 -2.530) 4.731 13.675 ( 0.842 -3.907 2.530) 4.731 15.520 ( 5.836 -0.499 -7.492) 9.510 15.520 ( 5.836 -0.499 7.492) 9.510 16.053 ( 0.924 3.984 -5.687) 7.005 16.053 ( 0.924 3.984 5.687) 7.005 16.465 ( 1.244 3.365 -0.932) 3.707 16.465 ( 1.244 3.365 0.932) 3.707 16.589 ( -2.639 2.016 -6.537) 7.332 16.589 ( -2.639 2.016 6.537) 7.332 18.928 ( 1.502 7.118 -4.071) 8.336 18.928 ( 1.502 7.118 4.071) 8.336 19.411 ( -4.505 -6.181 -7.743) 10.883 19.411 ( -4.505 -6.181 7.743) 10.883 24.444 ( -22.309 -11.205 -13.650) 28.453 24.444 ( -22.309 -11.205 13.650) 28.453 27.331 ( 32.263 7.061 -20.429) 38.835 27.331 ( 32.263 7.061 20.429) 38.835 28.613 ( 11.577 -0.172 -4.124) 12.291 28.613 ( 11.577 -0.172 4.124) 12.291 29.584 ( 3.547 0.810 -7.088) 7.967 29.584 ( 3.547 0.810 7.088) 7.967 30.447 ( -7.410 -1.866 -2.010) 7.901 30.447 ( -7.410 -1.866 2.010) 7.901 32.410 ( 0.748 0.290 -0.766) 1.109 32.410 ( 0.748 0.290 0.766) 1.109 32.749 ( 2.642 4.793 -6.964) 8.858 32.749 ( 2.642 4.793 6.964) 8.858 33.737 ( 8.063 -24.966 -5.255) 26.757 33.737 ( 8.063 -24.966 5.255) 26.757 36.842 ( -40.933 16.756 -26.854) 51.744 36.842 ( -40.933 16.756 26.854) 51.744 ======================= Grid point 216 (66/93) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 8.711 -8.155 -13.661) 18.139 2.008 ( 8.711 -8.155 13.661) 18.139 2.724 ( 22.967 -7.184 -12.540) 27.135 2.724 ( 22.967 -7.184 12.540) 27.135 3.110 ( 15.685 -8.868 -5.732) 18.908 3.110 ( 15.685 -8.868 5.732) 18.908 3.631 ( -11.898 -3.028 -9.095) 15.279 3.631 ( -11.898 -3.028 9.095) 15.279 3.952 ( 18.735 -12.721 -15.283) 27.320 3.952 ( 18.735 -12.721 15.283) 27.320 4.311 ( 3.040 -1.036 -4.743) 5.728 4.311 ( 3.040 -1.036 4.743) 5.728 4.719 ( 7.633 -0.417 -8.749) 11.618 4.719 ( 7.633 -0.417 8.749) 11.618 5.424 ( 11.708 -0.649 -6.032) 13.186 5.424 ( 11.708 -0.649 6.032) 13.186 5.471 ( -0.484 0.018 -4.341) 4.368 5.471 ( -0.484 0.018 4.341) 4.368 5.738 ( 3.066 -1.569 -9.191) 9.816 5.738 ( 3.066 -1.569 9.191) 9.816 6.044 ( -2.071 -3.591 -8.934) 9.849 6.044 ( -2.071 -3.591 8.934) 9.849 6.521 ( -4.276 2.548 -5.662) 7.539 6.521 ( -4.276 2.548 5.662) 7.539 6.794 ( 0.046 0.671 -11.858) 11.878 6.794 ( 0.046 0.671 11.858) 11.878 7.167 ( 4.187 9.171 -4.125) 10.893 7.167 ( 4.187 9.171 4.125) 10.893 7.496 ( 3.054 -1.403 -11.080) 11.578 7.496 ( 3.054 -1.403 11.080) 11.578 7.912 ( 13.869 -1.172 -3.395) 14.326 7.912 ( 13.869 -1.172 3.395) 14.326 8.810 ( -6.519 2.677 -6.995) 9.929 8.810 ( -6.519 2.677 6.995) 9.929 9.439 ( -7.368 6.357 -7.998) 12.596 9.439 ( -7.368 6.357 7.998) 12.596 9.994 ( -0.273 2.908 -10.446) 10.847 9.994 ( -0.273 2.908 10.446) 10.847 10.483 ( -6.292 2.067 -4.248) 7.868 10.483 ( -6.292 2.067 4.248) 7.868 10.606 ( 0.899 5.331 -4.733) 7.185 10.606 ( 0.899 5.331 4.733) 7.185 11.540 ( -6.500 2.432 -6.938) 9.813 11.540 ( -6.500 2.432 6.938) 9.813 13.625 ( 1.688 -4.738 -1.162) 5.162 13.625 ( 1.688 -4.738 1.162) 5.162 13.729 ( 0.876 -3.042 -2.180) 3.843 13.729 ( 0.876 -3.042 2.180) 3.843 15.631 ( 7.604 -0.450 -6.289) 9.878 15.631 ( 7.604 -0.450 6.289) 9.878 16.027 ( 1.565 3.638 -5.614) 6.870 16.027 ( 1.565 3.638 5.614) 6.870 16.456 ( -1.728 -0.648 -3.044) 3.560 16.456 ( -1.728 -0.648 3.044) 3.560 16.511 ( -2.646 2.961 -3.563) 5.335 16.511 ( -2.646 2.961 3.563) 5.335 18.890 ( 1.966 4.376 -4.011) 6.253 18.890 ( 1.966 4.376 4.011) 6.253 19.400 ( -2.536 -1.900 -7.188) 7.856 19.400 ( -2.536 -1.900 7.188) 7.856 24.293 ( -14.402 -9.990 -8.004) 19.269 24.293 ( -14.402 -9.990 8.004) 19.269 27.698 ( 28.072 8.705 -17.705) 34.311 27.698 ( 28.072 8.705 17.705) 34.311 28.738 ( 1.713 -3.548 -4.365) 5.880 28.738 ( 1.713 -3.548 4.365) 5.880 29.640 ( 8.606 4.482 -6.032) 11.425 29.640 ( 8.606 4.482 6.032) 11.425 30.331 ( -10.899 -1.931 -0.340) 11.074 30.331 ( -10.899 -1.931 0.340) 11.074 32.429 ( 0.830 -1.414 -0.865) 1.854 32.429 ( 0.830 -1.414 0.865) 1.854 32.739 ( 2.235 3.623 -5.737) 7.144 32.739 ( 2.235 3.623 5.737) 7.144 34.147 ( 11.150 -20.334 -5.802) 23.905 34.147 ( 11.150 -20.334 5.802) 23.905 36.087 ( -34.680 13.534 -26.945) 45.955 36.087 ( -34.680 13.534 26.945) 45.955 ======================= Grid point 218 (67/93) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 7.093 -5.209 -7.543) 11.591 2.208 ( 7.093 -5.209 7.543) 11.591 3.021 ( 9.159 2.325 -9.668) 13.519 3.021 ( 9.159 2.325 9.668) 13.519 3.299 ( 1.505 -3.969 -5.168) 6.687 3.299 ( 1.505 -3.969 5.168) 6.687 3.629 ( 4.777 -9.197 -8.689) 13.524 3.629 ( 4.777 -9.197 8.689) 13.524 4.136 ( -6.081 -1.973 -2.126) 6.737 4.136 ( -6.081 -1.973 2.126) 6.737 4.533 ( 16.747 -7.787 -13.427) 22.834 4.533 ( 16.747 -7.787 13.427) 22.834 4.845 ( 6.457 0.045 -7.862) 10.174 4.845 ( 6.457 0.045 7.862) 10.174 5.426 ( -3.607 -1.647 -1.906) 4.399 5.426 ( -3.607 -1.647 1.906) 4.399 5.598 ( 9.027 0.467 -4.921) 10.292 5.598 ( 9.027 0.467 4.921) 10.292 5.761 ( -0.314 1.892 -9.189) 9.387 5.761 ( -0.314 1.892 9.189) 9.387 6.078 ( 0.137 -2.868 -1.817) 3.398 6.078 ( 0.137 -2.868 1.817) 3.398 6.466 ( -0.966 -3.275 -8.849) 9.484 6.466 ( -0.966 -3.275 8.849) 9.484 6.746 ( -1.388 8.431 -5.872) 10.368 6.746 ( -1.388 8.431 5.872) 10.368 7.115 ( 0.363 2.810 -1.786) 3.349 7.115 ( 0.363 2.810 1.786) 3.349 7.544 ( 2.461 0.517 -8.381) 8.751 7.544 ( 2.461 0.517 8.381) 8.751 8.118 ( 10.124 -0.953 -4.339) 11.056 8.118 ( 10.124 -0.953 4.339) 11.056 8.695 ( -5.934 0.279 -4.813) 7.646 8.695 ( -5.934 0.279 4.813) 7.646 9.290 ( -3.369 4.690 -4.616) 7.393 9.290 ( -3.369 4.690 4.616) 7.393 9.976 ( 0.651 0.914 -6.270) 6.369 9.976 ( 0.651 0.914 6.270) 6.369 10.352 ( -5.931 2.451 -2.052) 6.738 10.352 ( -5.931 2.451 2.052) 6.738 10.583 ( 1.127 2.122 -1.864) 3.041 10.583 ( 1.127 2.122 1.864) 3.041 11.428 ( -4.476 1.646 -3.887) 6.153 11.428 ( -4.476 1.646 3.887) 6.153 13.689 ( 0.859 -2.681 -0.973) 2.979 13.689 ( 0.859 -2.681 0.973) 2.979 13.768 ( 0.650 -1.575 -1.431) 2.226 13.768 ( 0.650 -1.575 1.431) 2.226 15.746 ( 6.412 -0.200 -4.701) 7.954 15.746 ( 6.412 -0.200 4.701) 7.954 16.017 ( 1.593 2.272 -5.334) 6.012 16.017 ( 1.593 2.272 5.334) 6.012 16.382 ( -7.030 -1.188 -3.547) 7.964 16.382 ( -7.030 -1.188 3.547) 7.964 16.491 ( 1.712 1.531 -1.225) 2.603 16.491 ( 1.712 1.531 1.225) 2.603 18.878 ( 1.343 2.294 -2.605) 3.722 18.878 ( 1.343 2.294 2.605) 3.722 19.387 ( -0.848 -0.388 -4.140) 4.244 19.387 ( -0.848 -0.388 4.140) 4.244 24.221 ( -7.100 -5.532 -3.472) 9.647 24.221 ( -7.100 -5.532 3.472) 9.647 27.972 ( 19.263 7.001 -10.704) 23.123 27.972 ( 19.263 7.001 10.704) 23.123 28.752 ( -5.377 -4.754 -2.924) 7.750 28.752 ( -5.377 -4.754 2.924) 7.750 29.759 ( 13.770 4.424 -4.933) 15.281 29.759 ( 13.770 4.424 4.933) 15.281 30.162 ( -13.807 -1.667 -1.693) 14.010 30.162 ( -13.807 -1.667 1.693) 14.010 32.460 ( 0.529 -1.724 -0.786) 1.967 32.460 ( 0.529 -1.724 0.786) 1.967 32.731 ( 1.268 2.353 -3.492) 4.397 32.731 ( 1.268 2.353 3.492) 4.397 34.549 ( 14.897 -15.263 -8.431) 22.934 34.549 ( 14.897 -15.263 8.431) 22.934 35.476 ( -26.793 11.654 -20.782) 35.855 35.476 ( -26.793 11.654 20.782) 35.855 ======================= Grid point 220 (68/93) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 0.000 -0.000 0.000) 0.000 2.304 ( 0.000 -0.000 0.000) 0.000 3.026 ( 0.000 -0.000 -0.000) 0.000 3.026 ( 0.000 -0.000 0.000) 0.000 3.357 ( 0.000 -0.000 -0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 -0.000 0.000) 0.000 3.776 ( 0.000 -0.000 0.000) 0.000 4.051 ( 0.000 -0.000 0.000) 0.000 4.051 ( 0.000 -0.000 0.000) 0.000 4.747 ( 0.000 -0.000 -0.000) 0.000 4.747 ( 0.000 -0.000 -0.000) 0.000 4.875 ( 0.000 -0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 -0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.674 ( -0.000 -0.000 -0.000) 0.000 5.674 ( -0.000 0.000 -0.000) 0.000 5.716 ( -0.000 -0.000 0.000) 0.000 5.716 ( 0.000 -0.000 0.000) 0.000 6.095 ( 0.000 -0.000 -0.000) 0.000 6.095 ( 0.000 -0.000 0.000) 0.000 6.577 ( 0.000 0.000 -0.000) 0.000 6.577 ( -0.000 0.000 0.000) 0.000 6.583 ( -0.000 -0.000 -0.000) 0.000 6.583 ( 0.000 -0.000 0.000) 0.000 7.110 ( 0.000 -0.000 -0.000) 0.000 7.110 ( 0.000 0.000 -0.000) 0.000 7.559 ( 0.000 -0.000 -0.000) 0.000 7.559 ( 0.000 -0.000 0.000) 0.000 8.208 ( 0.000 -0.000 0.000) 0.000 8.208 ( 0.000 -0.000 0.000) 0.000 8.642 ( 0.000 -0.000 0.000) 0.000 8.642 ( 0.000 -0.000 0.000) 0.000 9.237 ( 0.000 -0.000 0.000) 0.000 9.237 ( 0.000 -0.000 0.000) 0.000 9.980 ( 0.000 -0.000 -0.000) 0.000 9.980 ( 0.000 -0.000 0.000) 0.000 10.285 ( 0.000 -0.000 -0.000) 0.000 10.285 ( 0.000 -0.000 0.000) 0.000 10.580 ( 0.000 -0.000 -0.000) 0.000 10.580 ( 0.000 -0.000 0.000) 0.000 11.382 ( 0.000 -0.000 -0.000) 0.000 11.382 ( 0.000 -0.000 0.000) 0.000 13.711 ( 0.000 -0.000 -0.000) 0.000 13.711 ( 0.000 0.000 0.000) 0.000 13.783 ( 0.000 -0.000 0.000) 0.000 13.783 ( 0.000 -0.000 0.000) 0.000 15.803 ( 0.000 -0.000 -0.000) 0.000 15.803 ( 0.000 -0.000 0.000) 0.000 16.017 ( 0.000 -0.000 -0.000) 0.000 16.017 ( 0.000 0.000 0.000) 0.000 16.327 ( 0.000 -0.000 0.000) 0.000 16.327 ( 0.000 -0.000 0.000) 0.000 16.497 ( 0.000 -0.000 0.000) 0.000 16.497 ( 0.000 -0.000 0.000) 0.000 18.875 ( 0.000 -0.000 0.000) 0.000 18.875 ( 0.000 -0.000 0.000) 0.000 19.383 ( 0.000 -0.000 0.000) 0.000 19.383 ( 0.000 -0.000 0.000) 0.000 24.200 ( 0.000 -0.000 0.000) 0.000 24.200 ( 0.000 -0.000 0.000) 0.000 28.087 ( -0.000 -0.000 0.000) 0.000 28.087 ( 0.000 -0.000 0.000) 0.000 28.728 ( 0.000 -0.000 -0.000) 0.000 28.728 ( 0.000 -0.000 0.000) 0.000 29.913 ( -0.000 -0.000 -0.000) 0.000 29.913 ( 0.000 0.000 -0.000) 0.000 29.992 ( -0.000 -0.000 0.000) 0.000 29.992 ( 0.000 -0.000 0.000) 0.000 32.476 ( 0.000 -0.000 -0.000) 0.000 32.476 ( 0.000 -0.000 0.000) 0.000 32.726 ( 0.000 -0.000 0.000) 0.000 32.726 ( 0.000 -0.000 0.000) 0.000 34.916 ( 0.000 -0.000 -0.000) 0.000 34.916 ( 0.000 0.000 0.000) 0.000 35.040 ( 0.000 -0.000 0.000) 0.000 35.040 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 234 (69/93) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 14.724 -0.000 -21.555) 26.104 1.534 ( 14.724 -0.000 21.555) 26.104 2.134 ( 35.525 -0.000 -15.170) 38.629 2.134 ( 35.525 -0.000 15.170) 38.629 2.588 ( 16.488 -0.000 -7.070) 17.940 2.588 ( 16.488 -0.000 7.070) 17.940 3.245 ( 16.425 -0.000 -36.286) 39.830 3.245 ( 16.425 -0.000 36.286) 39.830 3.929 ( -5.458 0.000 -0.700) 5.503 3.929 ( -5.458 0.000 0.700) 5.503 4.237 ( 8.129 -0.000 -2.640) 8.547 4.237 ( 8.129 -0.000 2.640) 8.547 4.663 ( -4.189 0.000 -3.074) 5.196 4.663 ( -4.189 0.000 3.074) 5.196 5.216 ( 9.991 -0.000 -7.919) 12.749 5.216 ( 9.991 -0.000 7.919) 12.749 5.437 ( 9.689 -0.000 -3.684) 10.366 5.437 ( 9.689 -0.000 3.684) 10.366 5.580 ( 4.028 -0.000 -12.410) 13.047 5.580 ( 4.028 -0.000 12.410) 13.047 6.076 ( -5.830 0.000 -13.886) 15.061 6.076 ( -5.830 0.000 13.886) 15.061 6.585 ( -6.288 0.000 -2.036) 6.610 6.585 ( -6.288 0.000 2.036) 6.610 6.897 ( 1.740 -0.000 -3.603) 4.001 6.897 ( 1.740 -0.000 3.603) 4.001 7.141 ( 10.944 -0.000 -2.717) 11.276 7.141 ( 10.944 -0.000 2.717) 11.276 7.232 ( 12.199 -0.000 -2.994) 12.561 7.232 ( 12.199 -0.000 2.994) 12.561 7.887 ( 3.558 -0.000 -2.377) 4.279 7.887 ( 3.558 -0.000 2.377) 4.279 8.998 ( -3.663 0.000 -7.483) 8.332 8.998 ( -3.663 0.000 7.483) 8.332 9.689 ( -10.614 0.000 -8.149) 13.381 9.689 ( -10.614 0.000 8.149) 13.381 10.150 ( -7.351 0.000 -9.678) 12.153 10.150 ( -7.351 0.000 9.678) 12.153 10.566 ( -2.560 0.000 -9.484) 9.823 10.566 ( -2.560 0.000 9.484) 9.823 10.791 ( -1.098 0.000 -9.879) 9.940 10.791 ( -1.098 0.000 9.879) 9.940 11.686 ( -6.447 0.000 -8.931) 11.015 11.686 ( -6.447 0.000 8.931) 11.015 13.447 ( 3.455 -0.000 -0.525) 3.495 13.447 ( 3.455 -0.000 0.525) 3.495 13.621 ( 1.444 -0.000 -3.309) 3.610 13.621 ( 1.444 -0.000 3.309) 3.610 15.512 ( 5.496 -0.000 -5.096) 7.495 15.512 ( 5.496 -0.000 5.096) 7.495 16.106 ( 0.988 -0.000 -6.296) 6.373 16.106 ( 0.988 -0.000 6.296) 6.373 16.498 ( -3.601 0.000 -6.812) 7.705 16.498 ( -3.601 0.000 6.812) 7.705 16.672 ( 1.878 -0.000 -2.688) 3.279 16.672 ( 1.878 -0.000 2.688) 3.279 19.160 ( 3.271 -0.000 -6.563) 7.333 19.160 ( 3.271 -0.000 6.563) 7.333 19.179 ( -4.876 0.000 -0.632) 4.917 19.179 ( -4.876 0.000 0.632) 4.917 24.264 ( -24.374 0.000 -10.325) 26.471 24.264 ( -24.374 0.000 10.325) 26.471 27.428 ( 33.693 -0.000 -26.919) 43.126 27.428 ( 33.693 -0.000 26.919) 43.126 28.611 ( 9.178 -0.000 -5.563) 10.732 28.611 ( 9.178 -0.000 5.563) 10.732 29.590 ( 7.693 -0.000 -2.875) 8.213 29.590 ( 7.693 -0.000 2.875) 8.213 30.426 ( -7.503 0.000 -1.998) 7.764 30.426 ( -7.503 0.000 1.998) 7.764 32.427 ( 0.323 -0.000 -0.900) 0.956 32.427 ( 0.323 -0.000 0.900) 0.956 32.872 ( 2.390 -0.000 -3.309) 4.082 32.872 ( 2.390 -0.000 3.309) 4.082 33.324 ( 12.012 -0.000 -4.370) 12.782 33.324 ( 12.012 -0.000 4.370) 12.782 37.059 ( -47.983 0.000 -27.980) 55.545 37.059 ( -47.983 0.000 27.980) 55.545 ======================= Grid point 236 (70/93) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 15.355 -6.350 -16.689) 23.550 1.818 ( 15.355 -6.350 16.689) 23.550 2.599 ( 22.870 -2.959 -22.218) 32.022 2.599 ( 22.870 -2.959 22.218) 32.022 2.920 ( 22.985 -5.244 -0.829) 23.590 2.920 ( 22.985 -5.244 0.829) 23.590 3.522 ( 7.710 -5.114 -10.757) 14.189 3.522 ( 7.710 -5.114 10.757) 14.189 3.835 ( 0.580 1.008 -6.867) 6.964 3.835 ( 0.580 1.008 6.867) 6.964 4.359 ( 8.128 4.063 -3.886) 9.883 4.359 ( 8.128 4.063 3.886) 9.883 4.679 ( 5.600 -2.962 -7.194) 9.586 4.679 ( 5.600 -2.962 7.194) 9.586 5.361 ( 7.044 -2.837 -5.169) 9.186 5.361 ( 7.044 -2.837 5.169) 9.186 5.526 ( 3.121 2.479 -8.992) 9.835 5.526 ( 3.121 2.479 8.992) 9.835 5.691 ( 8.317 -1.570 -12.408) 15.020 5.691 ( 8.317 -1.570 12.408) 15.020 6.007 ( -3.183 -0.252 -13.547) 13.918 6.007 ( -3.183 -0.252 13.547) 13.918 6.500 ( -5.921 -2.505 -4.752) 7.995 6.500 ( -5.921 -2.505 4.752) 7.995 6.868 ( -0.281 5.537 -7.167) 9.061 6.868 ( -0.281 5.537 7.167) 9.061 7.251 ( 3.226 -4.230 -9.860) 11.204 7.251 ( 3.226 -4.230 9.860) 11.204 7.471 ( 12.300 1.107 -1.436) 12.433 7.471 ( 12.300 1.107 1.436) 12.433 7.960 ( 10.541 3.352 -1.093) 11.115 7.960 ( 10.541 3.352 1.093) 11.115 8.892 ( -7.729 3.175 -4.913) 9.693 8.892 ( -7.729 3.175 4.913) 9.693 9.522 ( -9.466 1.171 -8.294) 12.640 9.522 ( -9.466 1.171 8.294) 12.640 10.053 ( -3.848 1.687 -10.308) 11.132 10.053 ( -3.848 1.687 10.308) 11.132 10.509 ( -5.057 0.431 -6.538) 8.276 10.509 ( -5.057 0.431 6.538) 8.276 10.716 ( -4.420 3.154 -7.482) 9.245 10.716 ( -4.420 3.154 7.482) 9.245 11.570 ( -8.175 0.348 -7.245) 10.929 11.570 ( -8.175 0.348 7.245) 10.929 13.519 ( 2.922 -3.069 -1.309) 4.435 13.519 ( 2.922 -3.069 1.309) 4.435 13.661 ( 2.082 -2.084 -3.801) 4.809 13.661 ( 2.082 -2.084 3.801) 4.809 15.614 ( 7.252 -0.557 -2.401) 7.660 15.614 ( 7.252 -0.557 2.401) 7.660 16.111 ( 1.571 2.473 -6.672) 7.287 16.111 ( 1.571 2.473 6.672) 7.287 16.426 ( -6.371 -1.079 -7.447) 9.860 16.426 ( -6.371 -1.079 7.447) 9.860 16.663 ( 2.629 6.475 -0.579) 7.012 16.663 ( 2.629 6.475 0.579) 7.012 19.049 ( 1.440 8.831 -1.015) 9.005 19.049 ( 1.440 8.831 1.015) 9.005 19.290 ( 0.404 -7.611 -5.642) 9.483 19.290 ( 0.404 -7.611 5.642) 9.483 24.015 ( -16.212 -9.565 -8.689) 20.732 24.015 ( -16.212 -9.565 8.689) 20.732 27.878 ( 29.326 5.327 -26.675) 39.999 27.878 ( 29.326 5.327 26.675) 39.999 28.653 ( -4.425 -2.862 -7.138) 8.873 28.653 ( -4.425 -2.862 7.138) 8.873 29.740 ( 12.421 2.825 -3.354) 13.172 29.740 ( 12.421 2.825 3.354) 13.172 30.291 ( -10.883 -0.910 -0.068) 10.921 30.291 ( -10.883 -0.910 0.068) 10.921 32.426 ( 0.387 0.648 -0.667) 1.007 32.426 ( 0.387 0.648 0.667) 1.007 32.862 ( 2.740 6.062 -6.599) 9.370 32.862 ( 2.740 6.062 6.599) 9.370 33.661 ( 15.502 -16.928 -7.793) 24.240 33.661 ( 15.502 -16.928 7.793) 24.240 36.333 ( -40.081 6.211 -32.067) 51.704 36.333 ( -40.081 6.211 32.067) 51.704 ======================= Grid point 238 (71/93) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 12.634 -4.560 -11.158) 17.462 2.098 ( 12.634 -4.560 11.158) 17.462 2.952 ( 17.054 -7.183 -18.951) 26.488 2.952 ( 17.054 -7.183 18.951) 26.488 3.312 ( 13.778 0.454 -8.755) 16.331 3.312 ( 13.778 0.454 8.755) 16.331 3.459 ( -3.612 -1.901 -9.420) 10.267 3.459 ( -3.612 -1.901 9.420) 10.267 4.009 ( 5.531 -7.357 -1.517) 9.328 4.009 ( 5.531 -7.357 1.517) 9.328 4.400 ( 5.767 2.561 -6.355) 8.956 4.400 ( 5.767 2.561 6.355) 8.956 4.874 ( 13.590 -1.917 -11.646) 18.000 4.874 ( 13.590 -1.917 11.646) 18.000 5.447 ( -4.788 1.572 -10.524) 11.668 5.447 ( -4.788 1.572 10.524) 11.668 5.526 ( 4.524 -4.062 -5.754) 8.371 5.526 ( 4.524 -4.062 5.754) 8.371 5.820 ( 7.273 2.143 -11.077) 13.423 5.820 ( 7.273 2.143 11.077) 13.423 6.009 ( 2.540 -1.658 -10.110) 10.556 6.009 ( 2.540 -1.658 10.110) 10.556 6.453 ( -4.535 -2.335 -9.477) 10.763 6.453 ( -4.535 -2.335 9.477) 10.763 6.798 ( -1.679 2.880 -11.355) 11.835 6.798 ( -1.679 2.880 11.355) 11.835 7.299 ( 1.327 4.626 -7.721) 9.098 7.299 ( 1.327 4.626 7.721) 9.098 7.557 ( 4.699 2.369 -6.828) 8.621 7.557 ( 4.699 2.369 6.828) 8.621 8.128 ( 12.922 1.594 -4.903) 13.912 8.128 ( 12.922 1.594 4.903) 13.912 8.718 ( -9.582 2.471 -3.837) 10.613 8.718 ( -9.582 2.471 3.837) 10.613 9.384 ( -6.030 2.432 -7.374) 9.831 9.384 ( -6.030 2.432 7.374) 9.831 9.994 ( -2.147 0.675 -6.820) 7.181 9.994 ( -2.147 0.675 6.820) 7.181 10.399 ( -7.288 1.401 -3.952) 8.408 10.399 ( -7.288 1.401 3.952) 8.408 10.629 ( -2.855 1.725 -5.077) 6.075 10.629 ( -2.855 1.725 5.077) 6.075 11.445 ( -7.446 -0.080 -4.717) 8.815 11.445 ( -7.446 -0.080 4.717) 8.815 13.591 ( 0.720 -4.238 -2.721) 5.087 13.591 ( 0.720 -4.238 2.721) 5.087 13.725 ( 2.762 -2.155 -2.833) 4.505 13.725 ( 2.762 -2.155 2.833) 4.505 15.730 ( 6.126 -0.781 -2.633) 6.713 15.730 ( 6.126 -0.781 2.633) 6.713 16.094 ( 0.431 3.437 -5.344) 6.368 16.094 ( 0.431 3.437 5.344) 6.368 16.343 ( -5.957 -1.918 -5.353) 8.235 16.343 ( -5.957 -1.918 5.353) 8.235 16.625 ( 3.987 8.216 -1.988) 9.346 16.625 ( 3.987 8.216 1.988) 9.346 18.992 ( 2.361 6.933 -1.098) 7.406 18.992 ( 2.361 6.933 1.098) 7.406 19.354 ( 0.407 -2.759 -4.684) 5.452 19.354 ( 0.407 -2.759 4.684) 5.452 23.963 ( -9.409 -13.914 -5.294) 17.611 23.963 ( -9.409 -13.914 5.294) 17.611 28.156 ( 14.792 8.493 -13.558) 21.788 28.156 ( 14.792 8.493 13.558) 21.788 28.618 ( -4.076 -6.771 -9.117) 12.066 28.618 ( -4.076 -6.771 9.117) 12.066 29.882 ( 12.494 5.099 -3.684) 13.988 29.882 ( 12.494 5.099 3.684) 13.988 30.117 ( -13.888 -1.650 -1.792) 14.100 30.117 ( -13.888 -1.650 1.792) 14.100 32.430 ( 0.386 -0.378 -0.203) 0.577 32.430 ( 0.386 -0.378 0.203) 0.577 32.834 ( 2.538 5.867 -7.041) 9.510 32.834 ( 2.538 5.867 7.041) 9.510 34.112 ( 14.926 -19.469 -11.342) 27.027 34.112 ( 14.926 -19.469 11.342) 27.027 35.735 ( -26.615 8.953 -24.966) 37.574 35.735 ( -26.615 8.953 24.966) 37.574 ======================= Grid point 240 (72/93) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 8.959 -1.051 -7.151) 11.511 2.299 ( 8.959 -1.051 7.151) 11.511 3.129 ( -7.751 6.803 -8.567) 13.408 3.129 ( -7.751 6.803 8.567) 13.408 3.294 ( 11.789 -5.641 -13.732) 18.957 3.294 ( 11.789 -5.641 13.732) 18.957 3.723 ( 14.698 -3.423 -4.121) 15.644 3.723 ( 14.698 -3.423 4.121) 15.644 4.026 ( -5.785 -1.066 -1.058) 5.976 4.026 ( -5.785 -1.066 1.058) 5.976 4.508 ( -0.513 -9.143 -3.009) 9.639 4.508 ( -0.513 -9.143 3.009) 9.639 5.052 ( 9.548 5.509 -13.378) 17.334 5.052 ( 9.548 5.509 13.378) 17.334 5.322 ( -6.841 -2.311 -8.145) 10.885 5.322 ( -6.841 -2.311 8.145) 10.885 5.662 ( 3.274 -4.913 -4.089) 7.181 5.662 ( 3.274 -4.913 4.089) 7.181 5.837 ( 2.880 7.348 -8.004) 11.241 5.837 ( 2.880 7.348 8.004) 11.241 6.088 ( 3.810 -0.628 -5.376) 6.619 6.088 ( 3.810 -0.628 5.376) 6.619 6.426 ( -0.188 -0.915 -8.408) 8.460 6.426 ( -0.188 -0.915 8.408) 8.460 6.756 ( -3.456 -1.534 -11.346) 11.959 6.756 ( -3.456 -1.534 11.346) 11.959 7.191 ( -0.715 11.594 -5.473) 12.841 7.191 ( -0.715 11.594 5.473) 12.841 7.597 ( 2.421 1.222 -8.685) 9.099 7.597 ( 2.421 1.222 8.685) 9.099 8.246 ( 4.202 2.910 -6.046) 7.917 8.246 ( 4.202 2.910 6.046) 7.917 8.591 ( -5.350 -2.520 -3.484) 6.864 8.591 ( -5.350 -2.520 3.484) 6.864 9.284 ( -3.110 2.761 -5.868) 7.193 9.284 ( -3.110 2.761 5.868) 7.193 9.968 ( -1.873 -0.877 -1.734) 2.699 9.968 ( -1.873 -0.877 1.734) 2.699 10.295 ( -3.591 0.616 -4.717) 5.960 10.295 ( -3.591 0.616 4.717) 5.960 10.579 ( -3.010 -0.121 -2.706) 4.050 10.579 ( -3.010 -0.121 2.706) 4.050 11.364 ( -3.745 -1.403 -1.618) 4.314 11.364 ( -3.745 -1.403 1.618) 4.314 13.639 ( -1.129 -4.660 -3.995) 6.241 13.639 ( -1.129 -4.660 3.995) 6.241 13.784 ( 2.617 -0.552 -1.508) 3.070 13.784 ( 2.617 -0.552 1.508) 3.070 15.789 ( -0.202 -0.560 -1.210) 1.349 15.789 ( -0.202 -0.560 1.210) 1.349 16.044 ( -2.555 1.526 -2.724) 4.034 16.044 ( -2.555 1.526 2.724) 4.034 16.322 ( 2.017 -0.373 -1.403) 2.485 16.322 ( 2.017 -0.373 1.403) 2.485 16.596 ( 4.010 7.563 -2.394) 8.888 16.596 ( 4.010 7.563 2.394) 8.888 18.947 ( 1.328 5.800 -2.432) 6.428 18.947 ( 1.328 5.800 2.432) 6.428 19.377 ( 0.432 -0.512 -1.844) 1.962 19.377 ( 0.432 -0.512 1.844) 1.962 24.029 ( -3.161 -13.322 -2.140) 13.858 24.029 ( -3.161 -13.322 2.140) 13.858 28.097 ( -12.346 0.824 -2.977) 12.726 28.097 ( -12.346 0.824 2.977) 12.726 28.726 ( 9.956 -0.230 -15.348) 18.296 28.726 ( 9.956 -0.230 15.348) 18.296 29.897 ( -14.742 -1.403 -2.544) 15.025 29.897 ( -14.742 -1.403 2.544) 15.025 30.030 ( 11.446 3.144 -3.155) 12.282 30.030 ( 11.446 3.144 3.155) 12.282 32.447 ( 0.181 -1.567 -1.063) 1.902 32.447 ( 0.181 -1.567 1.063) 1.902 32.800 ( 1.642 5.464 -6.173) 8.405 32.800 ( 1.642 5.464 6.173) 8.405 34.528 ( 8.093 -19.398 -17.636) 27.437 34.528 ( 8.093 -19.398 17.636) 27.437 35.336 ( -8.273 12.011 -12.952) 19.505 35.336 ( -8.273 12.011 12.952) 19.505 ======================= Grid point 242 (73/93) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.796 6.313 -2.640) 6.888 2.353 ( 0.796 6.313 2.640) 6.888 2.973 ( -5.440 -0.007 -12.495) 13.628 2.973 ( -5.440 -0.007 12.495) 13.628 3.447 ( 4.714 6.602 -6.534) 10.416 3.447 ( 4.714 6.602 6.534) 10.416 3.786 ( -1.823 4.007 -4.645) 6.399 3.786 ( -1.823 4.007 4.645) 6.399 4.082 ( 5.988 -7.033 -4.854) 10.434 4.082 ( 5.988 -7.033 4.854) 10.434 4.484 ( -14.034 -5.228 -10.395) 18.230 4.484 ( -14.034 -5.228 10.395) 18.230 5.019 ( -0.962 7.983 -7.103) 10.728 5.019 ( -0.962 7.983 7.103) 10.728 5.349 ( -0.652 -7.795 -6.911) 10.438 5.349 ( -0.652 -7.795 6.911) 10.438 5.659 ( -3.822 4.466 -7.765) 9.739 5.659 ( -3.822 4.466 7.765) 9.739 5.791 ( 1.929 6.131 -5.074) 8.189 5.791 ( 1.929 6.131 5.074) 8.189 6.116 ( 1.396 1.404 -2.855) 3.474 6.116 ( 1.396 1.404 2.855) 3.474 6.473 ( -0.253 -5.127 -6.085) 7.961 6.473 ( -0.253 -5.127 6.085) 7.961 6.707 ( 1.058 5.557 -10.201) 11.664 6.707 ( 1.058 5.557 10.201) 11.664 7.086 ( -1.583 2.171 -3.092) 4.096 7.086 ( -1.583 2.171 3.092) 4.096 7.582 ( -0.919 3.208 -4.176) 5.345 7.582 ( -0.919 3.208 4.176) 5.345 8.176 ( -6.616 3.989 -6.669) 10.205 8.176 ( -6.616 3.989 6.669) 10.205 8.629 ( 2.511 -5.767 -0.530) 6.312 8.629 ( 2.511 -5.767 0.530) 6.312 9.233 ( -0.836 0.228 -4.080) 4.171 9.233 ( -0.836 0.228 4.080) 4.171 9.947 ( -2.713 -1.660 -4.597) 5.590 9.947 ( -2.713 -1.660 4.597) 5.590 10.299 ( 2.962 -1.937 -5.599) 6.624 10.299 ( 2.962 -1.937 5.599) 6.624 10.536 ( -4.002 -1.845 -2.952) 5.304 10.536 ( -4.002 -1.845 2.952) 5.304 11.371 ( 1.086 -3.124 -3.145) 4.564 11.371 ( 1.086 -3.124 3.145) 4.564 13.665 ( -1.989 -3.930 -4.529) 6.317 13.665 ( -1.989 -3.930 4.529) 6.317 13.811 ( 1.597 1.516 -0.787) 2.338 13.811 ( 1.597 1.516 0.787) 2.338 15.734 ( -7.133 -0.763 -6.312) 9.556 15.734 ( -7.133 -0.763 6.312) 9.556 16.003 ( -1.352 0.448 -5.758) 5.931 16.003 ( -1.352 0.448 5.758) 5.931 16.397 ( 6.773 0.391 -2.278) 7.157 16.397 ( 6.773 0.391 2.278) 7.157 16.567 ( 3.233 6.985 -3.264) 8.360 16.567 ( 3.233 6.985 3.264) 8.360 18.898 ( -0.243 3.976 -4.742) 6.193 18.898 ( -0.243 3.976 4.742) 6.193 19.388 ( 0.793 -0.033 -2.576) 2.695 19.388 ( 0.793 -0.033 2.576) 2.695 24.166 ( 3.209 -9.982 -0.929) 10.526 24.166 ( 3.209 -9.982 0.929) 10.526 27.840 ( -23.026 -4.381 -7.561) 24.629 27.840 ( -23.026 -4.381 7.561) 24.629 28.841 ( 5.698 3.032 -10.699) 12.495 28.841 ( 5.698 3.032 10.699) 12.495 29.693 ( -12.792 -1.527 -3.570) 13.368 29.693 ( -12.792 -1.527 3.570) 13.368 30.189 ( 11.733 0.892 -2.112) 11.955 30.189 ( 11.733 0.892 2.112) 11.955 32.466 ( -0.134 -1.396 -1.619) 2.142 32.466 ( -0.134 -1.396 1.619) 2.142 32.758 ( 0.494 4.576 -4.306) 6.303 32.758 ( 0.494 4.576 4.306) 6.303 34.666 ( -11.739 -6.864 -18.431) 22.904 34.666 ( -11.739 -6.864 18.431) 22.904 35.342 ( 21.746 2.295 -7.828) 23.226 35.342 ( 21.746 2.295 7.828) 23.226 ======================= Grid point 244 (74/93) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -5.501 9.947 -8.737) 14.337 2.205 ( -5.501 9.947 8.737) 14.337 2.865 ( -12.859 3.329 -10.201) 16.748 2.865 ( -12.859 3.329 10.201) 16.748 3.303 ( -5.744 9.760 -2.629) 11.626 3.303 ( -5.744 9.760 2.629) 11.626 3.761 ( 6.175 6.671 -8.424) 12.394 3.761 ( 6.175 6.671 8.424) 12.394 4.113 ( -17.326 -4.104 -11.783) 21.351 4.113 ( -17.326 -4.104 11.783) 21.351 4.362 ( 3.353 2.792 -7.635) 8.794 4.362 ( 3.353 2.792 7.635) 8.794 4.833 ( -8.762 10.514 -2.441) 13.903 4.833 ( -8.762 10.514 2.441) 13.903 5.398 ( -6.318 -4.889 -5.152) 9.506 5.398 ( -6.318 -4.889 5.152) 9.506 5.536 ( -0.685 6.465 -1.964) 6.791 5.536 ( -0.685 6.465 1.964) 6.791 5.742 ( -1.904 0.710 -7.650) 7.916 5.742 ( -1.904 0.710 7.650) 7.916 6.123 ( 1.678 1.383 -1.981) 2.941 6.123 ( 1.678 1.383 1.981) 2.941 6.470 ( -2.589 -0.617 -6.528) 7.050 6.470 ( -2.589 -0.617 6.528) 7.050 6.736 ( 5.710 -0.219 -3.303) 6.600 6.736 ( 5.710 -0.219 3.303) 6.600 7.057 ( -3.573 -1.756 -1.351) 4.204 7.057 ( -3.573 -1.756 1.351) 4.204 7.512 ( -3.926 1.543 -3.789) 5.670 7.512 ( -3.926 1.543 3.789) 5.670 7.995 ( -9.536 5.104 -9.293) 14.260 7.995 ( -9.536 5.104 9.293) 14.260 8.750 ( 4.617 -4.335 -5.729) 8.540 8.750 ( 4.617 -4.335 5.729) 8.540 9.272 ( 2.127 -6.068 -5.735) 8.616 9.272 ( 2.127 -6.068 5.735) 8.616 9.931 ( -2.448 -2.535 -8.769) 9.450 9.931 ( -2.448 -2.535 8.769) 9.450 10.405 ( 5.323 -4.286 -5.913) 9.037 10.405 ( 5.323 -4.286 5.913) 9.037 10.506 ( -3.653 -3.211 -4.676) 6.747 10.506 ( -3.653 -3.211 4.676) 6.747 11.459 ( 4.200 -4.407 -6.192) 8.684 11.459 ( 4.200 -4.407 6.192) 8.684 13.667 ( -2.113 -1.795 -4.230) 5.058 13.667 ( -2.113 -1.795 4.230) 5.058 13.798 ( 0.459 3.092 -0.526) 3.170 13.798 ( 0.459 3.092 0.526) 3.170 15.623 ( -8.014 -0.876 -8.645) 11.820 15.623 ( -8.014 -0.876 8.645) 11.820 15.985 ( -0.816 -0.089 -4.362) 4.438 15.985 ( -0.816 -0.089 4.362) 4.438 16.478 ( 3.333 1.946 -2.072) 4.380 16.478 ( 3.333 1.946 2.072) 4.380 16.548 ( 5.073 4.915 -5.794) 9.135 16.548 ( 5.073 4.915 5.794) 9.135 18.854 ( -1.326 1.361 -6.813) 7.073 18.854 ( -1.326 1.361 6.813) 7.073 19.410 ( 2.143 -0.301 -5.678) 6.077 19.410 ( 2.143 -0.301 5.678) 6.077 24.354 ( 9.749 -5.451 -4.774) 12.147 24.354 ( 9.749 -5.451 4.774) 12.147 27.518 ( -27.323 -6.471 -9.759) 29.726 27.518 ( -27.323 -6.471 9.759) 29.726 28.802 ( -6.872 2.028 -4.592) 8.510 28.802 ( -6.872 2.028 4.592) 8.510 29.577 ( -4.033 -0.822 -3.694) 5.530 29.577 ( -4.033 -0.822 3.694) 5.530 30.352 ( 9.882 -0.216 -0.381) 9.891 30.352 ( 9.882 -0.216 0.381) 9.891 32.468 ( -0.377 0.589 -1.230) 1.415 32.468 ( -0.377 0.589 1.230) 1.415 32.715 ( -0.588 2.356 -1.791) 3.017 32.715 ( -0.588 2.356 1.791) 3.017 34.476 ( -10.203 6.690 -8.835) 15.064 34.476 ( -10.203 6.690 8.835) 15.064 35.794 ( 28.771 -9.792 -15.697) 34.206 35.794 ( 28.771 -9.792 15.697) 34.206 ======================= Grid point 246 (75/93) ======================= q-point: (-0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -6.175 8.812 -18.547) 21.443 2.004 ( -6.175 8.812 18.547) 21.443 2.448 ( -26.770 12.364 -8.134) 30.588 2.448 ( -26.770 12.364 8.134) 30.588 3.071 ( -7.579 15.338 -3.067) 17.381 3.071 ( -7.579 15.338 3.067) 17.381 3.730 ( -14.622 6.231 -17.780) 23.848 3.730 ( -14.622 6.231 17.780) 23.848 3.896 ( 7.636 5.706 -18.231) 20.573 3.896 ( 7.636 5.706 18.231) 20.573 4.341 ( -1.953 9.403 -5.113) 10.880 4.341 ( -1.953 9.403 5.113) 10.880 4.640 ( -3.705 0.055 -4.690) 5.977 4.640 ( -3.705 0.055 4.690) 5.977 5.238 ( -13.084 1.438 -8.064) 15.437 5.238 ( -13.084 1.438 8.064) 15.437 5.499 ( 0.506 4.971 -3.932) 6.358 5.499 ( 0.506 4.971 3.932) 6.358 5.725 ( -0.934 -0.091 -12.302) 12.338 5.725 ( -0.934 -0.091 12.302) 12.338 6.134 ( 4.010 3.018 -9.129) 10.418 6.134 ( 4.010 3.018 9.129) 10.418 6.494 ( -0.113 -7.017 -4.700) 8.446 6.494 ( -0.113 -7.017 4.700) 8.446 6.792 ( -0.434 0.132 -7.964) 7.977 6.792 ( -0.434 0.132 7.964) 7.977 7.012 ( -4.653 -2.661 -3.365) 6.329 7.012 ( -4.653 -2.661 3.365) 6.329 7.453 ( -3.723 -2.382 -5.840) 7.324 7.453 ( -3.723 -2.382 5.840) 7.324 7.781 ( -8.618 7.485 -9.994) 15.171 7.781 ( -8.618 7.485 9.994) 15.171 8.857 ( 3.971 -2.936 -9.571) 10.770 8.857 ( 3.971 -2.936 9.571) 10.770 9.444 ( 6.545 -11.742 -9.851) 16.666 9.444 ( 6.545 -11.742 9.851) 16.666 9.931 ( -2.927 -4.315 -10.550) 11.768 9.931 ( -2.927 -4.315 10.550) 11.768 10.492 ( -3.906 -6.039 -3.577) 8.032 10.492 ( -3.906 -6.039 3.577) 8.032 10.543 ( 5.215 -3.093 -4.377) 7.478 10.543 ( 5.215 -3.093 4.377) 7.478 11.583 ( 4.658 -4.718 -8.460) 10.749 11.583 ( 4.658 -4.718 8.460) 10.749 13.639 ( -1.784 1.734 -3.025) 3.916 13.639 ( -1.784 1.734 3.025) 3.916 13.761 ( -0.079 3.515 -1.037) 3.666 13.761 ( -0.079 3.515 1.037) 3.666 15.522 ( -6.147 -0.472 -10.239) 11.951 15.522 ( -6.147 -0.472 10.239) 11.951 15.982 ( -0.614 -1.306 -3.144) 3.459 15.982 ( -0.614 -1.306 3.144) 3.459 16.453 ( -0.236 3.563 -5.030) 6.169 16.453 ( -0.236 3.563 5.030) 6.169 16.601 ( 4.835 1.813 -8.912) 10.301 16.601 ( 4.835 1.813 8.912) 10.301 18.832 ( -1.462 -1.414 -7.530) 7.800 18.832 ( -1.462 -1.414 7.530) 7.800 19.463 ( 4.125 -0.421 -7.599) 8.657 19.463 ( 4.125 -0.421 7.599) 8.657 24.587 ( 16.013 -1.040 -10.993) 19.451 24.587 ( 16.013 -1.040 10.993) 19.451 27.166 ( -28.619 -6.346 -10.274) 31.062 27.166 ( -28.619 -6.346 10.274) 31.062 28.619 ( -13.881 0.393 -1.869) 14.012 28.619 ( -13.881 0.393 1.869) 14.012 29.567 ( 0.947 -0.080 -5.283) 5.368 29.567 ( 0.947 -0.080 5.283) 5.368 30.482 ( 7.110 0.388 -2.431) 7.524 30.482 ( 7.110 0.388 2.431) 7.524 32.442 ( -0.484 2.411 -0.996) 2.653 32.442 ( -0.484 2.411 0.996) 2.653 32.689 ( -1.220 -0.245 -3.018) 3.265 32.689 ( -1.220 -0.245 3.018) 3.265 34.228 ( -5.895 15.222 -4.201) 16.856 34.228 ( -5.895 15.222 4.201) 16.856 36.406 ( 29.667 -18.470 -20.088) 40.309 36.406 ( 29.667 -18.470 20.088) 40.309 ======================= Grid point 248 (76/93) ======================= q-point: (-0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -16.714 8.282 -22.480) 29.212 1.772 ( -16.714 8.282 22.480) 29.212 1.902 ( -13.092 19.036 -12.859) 26.441 1.902 ( -13.092 19.036 12.859) 26.441 2.744 ( -7.087 19.052 -0.753) 20.341 2.744 ( -7.087 19.052 0.753) 20.341 3.366 ( -10.134 15.794 -35.286) 39.966 3.366 ( -10.134 15.794 35.286) 39.966 4.020 ( 5.944 2.034 -2.271) 6.681 4.020 ( 5.944 2.034 2.271) 6.681 4.175 ( -2.651 5.161 -2.316) 6.247 4.175 ( -2.651 5.161 2.316) 6.247 4.681 ( 3.020 -4.398 -6.990) 8.794 4.681 ( 3.020 -4.398 6.990) 8.794 5.038 ( -10.593 0.222 -11.509) 15.643 5.038 ( -10.593 0.222 11.509) 15.643 5.401 ( -3.333 7.433 -3.011) 8.685 5.401 ( -3.333 7.433 3.011) 8.685 5.690 ( -0.340 4.439 -14.144) 14.828 5.690 ( -0.340 4.439 14.144) 14.828 6.206 ( 8.639 1.019 -15.557) 17.824 6.206 ( 8.639 1.019 15.557) 17.824 6.543 ( -4.714 -1.594 -5.777) 7.624 6.543 ( -4.714 -1.594 5.777) 7.624 6.758 ( -6.001 -8.535 -11.551) 15.566 6.758 ( -6.001 -8.535 11.551) 15.566 6.982 ( -0.414 1.584 -7.382) 7.562 6.982 ( -0.414 1.584 7.382) 7.562 7.441 ( -1.368 3.102 -8.479) 9.132 7.441 ( -1.368 3.102 8.479) 9.132 7.601 ( -5.002 -0.187 -0.480) 5.028 7.601 ( -5.002 -0.187 0.480) 5.028 8.941 ( 2.100 -3.450 -10.228) 10.996 8.941 ( 2.100 -3.450 10.228) 10.996 9.713 ( 9.805 -10.591 -8.075) 16.538 9.713 ( 9.805 -10.591 8.075) 16.538 9.951 ( -4.227 -10.335 -7.435) 13.414 9.951 ( -4.227 -10.335 7.435) 13.414 10.505 ( -2.940 -5.270 -7.033) 9.267 10.505 ( -2.940 -5.270 7.033) 9.267 10.637 ( 2.068 -2.802 -5.290) 6.333 10.637 ( 2.068 -2.802 5.290) 6.333 11.694 ( 2.931 -4.018 -9.825) 11.012 11.694 ( 2.931 -4.018 9.825) 11.012 13.577 ( -1.079 4.929 -2.118) 5.472 13.577 ( -1.079 4.929 2.118) 5.472 13.717 ( -0.043 4.061 -1.362) 4.283 13.717 ( -0.043 4.061 1.362) 4.283 15.452 ( -3.291 -0.067 -11.124) 11.601 15.452 ( -3.291 -0.067 11.124) 11.601 16.000 ( -0.270 -3.185 -3.498) 4.738 16.000 ( -0.270 -3.185 3.498) 4.738 16.416 ( -0.828 0.608 -4.372) 4.492 16.416 ( -0.828 0.608 4.372) 4.492 16.633 ( 1.916 1.432 -10.008) 10.290 16.633 ( 1.916 1.432 10.008) 10.290 18.846 ( -0.826 -4.121 -6.783) 7.980 18.846 ( -0.826 -4.121 6.783) 7.980 19.529 ( 4.278 1.233 -8.089) 9.234 19.529 ( 4.278 1.233 8.089) 9.234 24.858 ( 18.860 1.268 -21.119) 28.343 24.858 ( 18.860 1.268 21.119) 28.343 26.805 ( -25.274 -3.347 -6.146) 26.225 26.805 ( -25.274 -3.347 6.146) 26.225 28.413 ( -11.327 0.376 -1.379) 11.417 28.413 ( -11.327 0.376 1.379) 11.417 29.581 ( 1.024 0.949 -7.438) 7.568 29.581 ( 1.024 0.949 7.438) 7.568 30.553 ( 3.734 1.623 -3.653) 5.470 30.553 ( 3.734 1.623 3.653) 5.470 32.408 ( -0.391 1.786 -1.252) 2.216 32.408 ( -0.391 1.786 1.252) 2.216 32.683 ( -1.086 -1.829 -5.215) 5.632 32.683 ( -1.086 -1.829 5.215) 5.632 33.941 ( -2.848 22.843 -5.101) 23.578 33.941 ( -2.848 22.843 5.101) 23.578 37.090 ( 23.390 -27.328 -18.040) 40.241 37.090 ( 23.390 -27.328 18.040) 40.241 ======================= Grid point 250 (77/93) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 11.343 -22.683) 25.361 1.439 ( 0.000 11.343 22.683) 25.361 1.612 ( 0.000 21.430 -18.687) 28.433 1.612 ( 0.000 21.430 18.687) 28.433 2.481 ( 0.000 14.941 -2.303) 15.117 2.481 ( 0.000 14.941 2.303) 15.117 3.128 ( 0.000 11.200 -50.989) 52.205 3.128 ( 0.000 11.200 50.989) 52.205 3.967 ( 0.000 5.775 -4.004) 7.027 3.967 ( 0.000 5.775 4.004) 7.027 4.186 ( -0.000 -1.734 -3.329) 3.754 4.186 ( -0.000 -1.734 3.329) 3.754 4.784 ( -0.000 -5.900 -11.034) 12.512 4.784 ( -0.000 -5.900 11.034) 12.512 4.949 ( -0.000 -0.798 -12.808) 12.833 4.949 ( -0.000 -0.798 12.808) 12.833 5.274 ( 0.000 7.266 -5.100) 8.878 5.274 ( 0.000 7.266 5.100) 8.878 5.624 ( 0.000 6.004 -14.005) 15.238 5.624 ( 0.000 6.004 14.005) 15.238 6.342 ( -0.000 -2.761 -23.471) 23.633 6.342 ( -0.000 -2.761 23.471) 23.633 6.411 ( 0.000 3.354 -5.986) 6.861 6.411 ( 0.000 3.354 5.986) 6.861 6.815 ( -0.000 -6.056 -9.628) 11.374 6.815 ( -0.000 -6.056 9.628) 11.374 6.963 ( 0.000 2.012 -7.511) 7.776 6.963 ( 0.000 2.012 7.511) 7.776 7.296 ( 0.000 13.493 -9.407) 16.449 7.296 ( 0.000 13.493 9.407) 16.449 7.674 ( -0.000 -12.205 -5.658) 13.453 7.674 ( -0.000 -12.205 5.658) 13.453 8.995 ( -0.000 -3.186 -10.295) 10.776 8.995 ( -0.000 -3.186 10.295) 10.776 9.853 ( -0.000 -1.026 -11.633) 11.679 9.853 ( -0.000 -1.026 11.633) 11.679 10.130 ( -0.000 -21.694 -11.116) 24.377 10.130 ( -0.000 -21.694 11.116) 24.377 10.529 ( -0.000 -3.803 -7.796) 8.674 10.529 ( -0.000 -3.803 7.796) 8.674 10.670 ( -0.000 -1.049 -5.667) 5.763 10.670 ( -0.000 -1.049 5.667) 5.763 11.757 ( -0.000 -2.752 -10.328) 10.689 11.757 ( -0.000 -2.752 10.328) 10.689 13.500 ( 0.000 6.637 -2.287) 7.020 13.500 ( 0.000 6.637 2.287) 7.020 13.665 ( 0.000 4.734 -1.852) 5.084 13.665 ( 0.000 4.734 1.852) 5.084 15.427 ( -0.000 -0.017 -11.401) 11.401 15.427 ( -0.000 -0.017 11.401) 11.401 16.043 ( -0.000 -4.025 -5.085) 6.485 16.043 ( -0.000 -4.025 5.085) 6.485 16.431 ( -0.000 -4.915 -2.340) 5.444 16.431 ( -0.000 -4.915 2.340) 5.444 16.631 ( 0.000 1.150 -10.425) 10.488 16.631 ( 0.000 1.150 10.425) 10.488 18.905 ( -0.000 -7.298 -5.312) 9.027 18.905 ( -0.000 -7.298 5.312) 9.027 19.527 ( 0.000 6.313 -7.549) 9.841 19.527 ( 0.000 6.313 7.549) 9.841 25.029 ( 0.000 2.470 -29.213) 29.318 25.029 ( 0.000 2.470 29.213) 29.318 26.579 ( 0.000 0.367 -1.514) 1.557 26.579 ( 0.000 0.367 1.514) 1.557 28.310 ( 0.000 0.739 -1.536) 1.704 28.310 ( 0.000 0.739 1.536) 1.704 29.568 ( 0.000 2.563 -7.844) 8.252 29.568 ( 0.000 2.563 7.844) 8.252 30.561 ( 0.000 1.774 -3.900) 4.284 30.561 ( 0.000 1.774 3.900) 4.284 32.397 ( -0.000 -0.383 -1.029) 1.098 32.397 ( -0.000 -0.383 1.029) 1.098 32.704 ( -0.000 -3.539 -6.730) 7.604 32.704 ( -0.000 -3.539 6.730) 7.604 33.623 ( 0.000 27.352 -5.361) 27.873 33.623 ( 0.000 27.352 5.361) 27.873 37.636 ( -0.000 -29.640 -10.255) 31.364 37.636 ( -0.000 -29.640 10.255) 31.364 ======================= Grid point 256 (78/93) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 16.215 -0.000 -14.794) 21.950 2.033 ( 16.215 -0.000 14.794) 21.950 2.842 ( 13.431 -0.000 -24.730) 28.142 2.842 ( 13.431 -0.000 24.730) 28.142 3.283 ( 26.530 -0.000 -3.305) 26.735 3.283 ( 26.530 -0.000 3.305) 26.735 3.476 ( -8.536 0.000 -3.069) 9.071 3.476 ( -8.536 0.000 3.069) 9.071 3.922 ( 7.436 -0.000 -1.056) 7.511 3.922 ( 7.436 -0.000 1.056) 7.511 4.514 ( 5.742 -0.000 -5.200) 7.746 4.514 ( 5.742 -0.000 5.200) 7.746 4.792 ( 13.072 -0.000 -11.718) 17.556 4.792 ( 13.072 -0.000 11.718) 17.556 5.416 ( 3.813 -0.000 -0.832) 3.903 5.416 ( 3.813 -0.000 0.832) 3.903 5.518 ( -6.016 0.000 -10.003) 11.672 5.518 ( -6.016 0.000 10.003) 11.672 5.849 ( 10.949 -0.000 -13.016) 17.009 5.849 ( 10.949 -0.000 13.016) 17.009 5.996 ( 3.242 -0.000 -13.260) 13.651 5.996 ( 3.242 -0.000 13.260) 13.651 6.389 ( -6.377 0.000 -4.931) 8.061 6.389 ( -6.377 0.000 4.931) 8.061 6.901 ( -1.196 0.000 -6.952) 7.054 6.901 ( -1.196 0.000 6.952) 7.054 7.257 ( 2.459 -0.000 -8.898) 9.232 7.257 ( 2.459 -0.000 8.898) 9.232 7.631 ( 6.540 -0.000 -0.229) 6.544 7.631 ( 6.540 -0.000 0.229) 6.544 8.158 ( 12.510 -0.000 -4.606) 13.331 8.158 ( 12.510 -0.000 4.606) 13.331 8.765 ( -11.241 0.000 -1.735) 11.374 8.765 ( -11.241 0.000 1.735) 11.374 9.405 ( -6.542 0.000 -8.083) 10.399 9.405 ( -6.542 0.000 8.083) 10.399 10.003 ( -3.629 0.000 -6.778) 7.688 10.003 ( -3.629 0.000 6.778) 7.688 10.415 ( -7.483 0.000 -1.984) 7.742 10.415 ( -7.483 0.000 1.984) 7.742 10.651 ( -5.172 0.000 -5.539) 7.578 10.651 ( -5.172 0.000 5.539) 7.578 11.440 ( -8.519 0.000 -4.738) 9.748 11.440 ( -8.519 0.000 4.738) 9.748 13.537 ( 1.149 -0.000 -2.842) 3.065 13.537 ( 1.149 -0.000 2.842) 3.065 13.694 ( 3.802 -0.000 -3.892) 5.440 13.694 ( 3.802 -0.000 3.892) 5.440 15.720 ( 6.580 -0.000 -1.415) 6.731 15.720 ( 6.580 -0.000 1.415) 6.731 16.141 ( -0.872 0.000 -5.147) 5.220 16.141 ( -0.872 0.000 5.147) 5.220 16.313 ( -5.366 0.000 -5.553) 7.722 16.313 ( -5.366 0.000 5.553) 7.722 16.747 ( 3.077 -0.000 -0.169) 3.081 16.747 ( 3.077 -0.000 0.169) 3.081 19.121 ( 0.243 -0.000 -2.234) 2.247 19.121 ( 0.243 -0.000 2.234) 2.247 19.285 ( 4.571 -0.000 -4.423) 6.361 19.285 ( 4.571 -0.000 4.423) 6.361 23.762 ( -9.515 0.000 -5.589) 11.035 23.762 ( -9.515 0.000 5.589) 11.035 28.302 ( 14.797 -0.000 -18.130) 23.402 28.302 ( 14.797 -0.000 18.130) 23.402 28.493 ( -5.476 0.000 -16.230) 17.129 28.493 ( -5.476 0.000 16.230) 17.129 29.943 ( 9.866 -0.000 -1.598) 9.995 29.943 ( 9.866 -0.000 1.598) 9.995 30.103 ( -12.183 0.000 -1.651) 12.294 30.103 ( -12.183 0.000 1.651) 12.294 32.431 ( -0.200 0.000 -0.652) 0.682 32.431 ( -0.200 0.000 0.652) 0.682 32.933 ( 1.767 -0.000 -5.603) 5.875 32.933 ( 1.767 -0.000 5.603) 5.875 33.833 ( 18.581 -0.000 -13.810) 23.151 33.833 ( 18.581 -0.000 13.810) 23.151 35.844 ( -27.459 0.000 -26.227) 37.972 35.844 ( -27.459 0.000 26.227) 37.972 ======================= Grid point 258 (79/93) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 12.875 -0.964 -9.780) 16.197 2.266 ( 12.875 -0.964 9.780) 16.197 3.056 ( 7.971 -7.514 -15.459) 18.947 3.056 ( 7.971 -7.514 15.459) 18.947 3.310 ( -7.306 3.421 -9.318) 12.325 3.310 ( -7.306 3.421 9.318) 12.325 3.674 ( 22.601 -0.745 -6.243) 23.459 3.674 ( 22.601 -0.745 6.243) 23.459 3.999 ( 0.208 -1.182 -4.449) 4.608 3.999 ( 0.208 -1.182 4.449) 4.608 4.499 ( -1.208 5.915 -4.065) 7.278 4.499 ( -1.208 5.915 4.065) 7.278 5.040 ( 12.449 -4.355 -11.482) 17.486 5.040 ( 12.449 -4.355 11.482) 17.486 5.350 ( -10.561 2.261 -10.718) 15.216 5.350 ( -10.561 2.261 10.718) 15.216 5.525 ( 4.645 -4.833 -2.267) 7.076 5.525 ( 4.645 -4.833 2.267) 7.076 5.947 ( 4.636 2.395 -2.407) 5.747 5.947 ( 4.636 2.395 2.407) 5.747 6.113 ( 9.204 2.889 -3.576) 10.288 6.113 ( 9.204 2.889 3.576) 10.288 6.329 ( -3.818 -6.802 -5.223) 9.387 6.329 ( -3.818 -6.802 5.223) 9.387 6.822 ( -3.308 6.776 -8.748) 11.549 6.822 ( -3.308 6.776 8.748) 11.549 7.313 ( 0.512 -3.246 -9.379) 9.938 7.313 ( 0.512 -3.246 9.379) 9.938 7.673 ( 3.641 5.167 -3.321) 7.140 7.673 ( 3.641 5.167 3.321) 7.140 8.310 ( 7.418 1.828 -6.886) 10.285 8.310 ( 7.418 1.828 6.886) 10.285 8.579 ( -10.842 0.875 -2.518) 11.165 8.579 ( -10.842 0.875 2.518) 11.165 9.322 ( -4.289 0.485 -7.763) 8.882 9.322 ( -4.289 0.485 7.763) 8.882 9.950 ( -3.726 -0.497 -2.513) 4.521 9.950 ( -3.726 -0.497 2.513) 4.521 10.306 ( -5.513 0.256 -3.818) 6.711 10.306 ( -5.513 0.256 3.818) 6.711 10.575 ( -5.027 -0.131 -2.538) 5.633 10.575 ( -5.027 -0.131 2.538) 5.633 11.332 ( -5.868 -1.008 -1.489) 6.138 11.332 ( -5.868 -1.008 1.489) 6.138 13.550 ( -1.096 -2.286 -4.955) 5.566 13.550 ( -1.096 -2.286 4.955) 5.566 13.764 ( 4.301 -0.714 -2.641) 5.097 13.764 ( 4.301 -0.714 2.641) 5.097 15.786 ( 0.841 0.090 -1.322) 1.570 15.786 ( 0.841 0.090 1.322) 1.570 16.069 ( -5.586 0.557 -3.556) 6.645 16.069 ( -5.586 0.557 3.556) 6.645 16.313 ( 3.861 -0.326 -1.031) 4.010 16.313 ( 3.861 -0.326 1.031) 4.010 16.764 ( 3.412 4.933 -0.902) 6.065 16.764 ( 3.412 4.933 0.902) 6.065 19.094 ( 0.765 4.991 -4.139) 6.529 19.094 ( 0.765 4.991 4.139) 6.529 19.360 ( 3.366 -0.788 -2.740) 4.411 19.360 ( 3.366 -0.788 2.740) 4.411 23.718 ( -4.127 -9.585 -3.046) 10.871 23.718 ( -4.127 -9.585 3.046) 10.871 28.117 ( -21.020 0.597 -4.819) 21.573 28.117 ( -21.020 0.597 4.819) 21.573 28.718 ( 17.272 -0.297 -23.788) 29.399 28.718 ( 17.272 -0.297 23.788) 29.399 29.864 ( -14.670 -1.000 -2.947) 14.997 29.864 ( -14.670 -1.000 2.947) 14.997 30.103 ( 8.722 2.190 -2.540) 9.344 30.103 ( 8.722 2.190 2.540) 9.344 32.426 ( -0.467 -0.270 -0.084) 0.546 32.426 ( -0.467 -0.270 0.084) 0.546 32.931 ( 1.846 4.422 -6.573) 8.134 32.931 ( 1.846 4.422 6.573) 8.134 34.149 ( 12.335 -10.677 -21.178) 26.733 34.149 ( 12.335 -10.677 21.178) 26.733 35.528 ( -10.070 4.327 -13.220) 17.173 35.528 ( -10.070 4.327 13.220) 17.173 ======================= Grid point 260 (80/93) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 7.981 0.717 -6.321) 10.206 2.431 ( 7.981 0.717 6.321) 10.206 3.024 ( -10.532 2.523 -13.774) 17.522 3.024 ( -10.532 2.523 13.774) 17.522 3.425 ( 12.425 -9.329 -12.472) 19.924 3.425 ( 12.425 -9.329 12.472) 19.924 3.891 ( -4.131 6.467 -4.298) 8.795 3.891 ( -4.131 6.467 4.298) 8.795 3.973 ( 7.777 -0.432 -5.781) 9.700 3.973 ( 7.777 -0.432 5.781) 9.700 4.405 ( -5.240 -0.426 -4.166) 6.708 4.405 ( -5.240 -0.426 4.166) 6.708 5.112 ( -7.865 1.816 -10.145) 12.965 5.112 ( -7.865 1.816 10.145) 12.965 5.263 ( 3.975 -1.098 -7.938) 8.946 5.263 ( 3.975 -1.098 7.938) 8.946 5.650 ( 2.575 -3.209 -4.956) 6.441 5.650 ( 2.575 -3.209 4.956) 6.441 5.963 ( 3.518 5.107 -3.854) 7.302 5.963 ( 3.518 5.107 3.854) 7.302 6.122 ( -1.589 -0.562 -8.606) 8.770 6.122 ( -1.589 -0.562 8.606) 8.770 6.454 ( 6.856 -1.565 -3.490) 7.850 6.454 ( 6.856 -1.565 3.490) 7.850 6.688 ( -3.589 2.618 -10.966) 11.832 6.688 ( -3.589 2.618 10.966) 11.832 7.294 ( -1.678 5.870 -10.407) 12.066 7.294 ( -1.678 5.870 10.407) 12.066 7.648 ( 0.777 4.671 -6.270) 7.857 7.648 ( 0.777 4.671 6.270) 7.857 8.283 ( -5.659 4.402 -8.065) 10.791 8.283 ( -5.659 4.402 8.065) 10.791 8.500 ( -1.233 -3.878 -2.077) 4.569 8.500 ( -1.233 -3.878 2.077) 4.569 9.257 ( -3.267 0.844 -7.509) 8.232 9.257 ( -3.267 0.844 7.509) 8.232 9.903 ( -4.057 -1.852 -2.313) 5.024 9.903 ( -4.057 -1.852 2.313) 5.024 10.267 ( 0.205 -0.820 -6.143) 6.201 10.267 ( 0.205 -0.820 6.143) 6.201 10.500 ( -5.818 -1.251 -3.367) 6.837 10.500 ( -5.818 -1.251 3.367) 6.837 11.298 ( -1.372 -2.795 -2.975) 4.306 11.298 ( -1.372 -2.795 2.975) 4.306 13.561 ( -2.187 -4.063 -6.274) 7.788 13.561 ( -2.187 -4.063 6.274) 7.788 13.827 ( 3.249 0.098 -1.301) 3.501 13.827 ( 3.249 0.098 1.301) 3.501 15.727 ( -7.250 0.128 -6.821) 9.955 15.727 ( -7.250 0.128 6.821) 9.955 16.015 ( -1.084 0.476 -7.039) 7.138 16.015 ( -1.084 0.476 7.039) 7.138 16.402 ( 7.110 0.080 -0.897) 7.167 16.402 ( 7.110 0.080 0.897) 7.167 16.747 ( 3.521 6.986 -1.625) 7.990 16.747 ( 3.521 6.986 1.625) 7.990 19.033 ( -0.212 6.254 -6.077) 8.723 19.033 ( -0.212 6.254 6.077) 8.723 19.398 ( 2.242 1.165 -1.824) 3.116 19.398 ( 2.242 1.165 1.824) 3.116 23.840 ( 0.662 -15.160 -0.770) 15.194 23.840 ( 0.662 -15.160 0.770) 15.194 27.768 ( -25.264 -1.903 -5.205) 25.865 27.768 ( -25.264 -1.903 5.205) 25.865 28.893 ( 5.445 1.471 -15.963) 16.930 28.893 ( 5.445 1.471 15.963) 16.930 29.671 ( -10.502 -0.591 -1.965) 10.700 29.671 ( -10.502 -0.591 1.965) 10.700 30.212 ( 8.349 1.099 -2.569) 8.805 30.212 ( 8.349 1.099 2.569) 8.805 32.428 ( -0.414 -1.315 -1.257) 1.866 32.428 ( -0.414 -1.315 1.257) 1.866 32.895 ( 1.526 6.156 -6.948) 9.407 32.895 ( 1.526 6.156 6.948) 9.407 34.390 ( 0.322 -12.676 -26.093) 29.010 34.390 ( 0.322 -12.676 26.093) 29.010 35.464 ( 9.589 5.315 -1.955) 11.136 35.464 ( 9.589 5.315 1.955) 11.136 ======================= Grid point 262 (81/93) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -1.618 8.213 -3.494) 9.071 2.440 ( -1.618 8.213 3.494) 9.071 2.879 ( -6.633 -0.727 -10.983) 12.851 2.879 ( -6.633 -0.727 10.983) 12.851 3.568 ( -7.620 10.323 -2.054) 12.995 3.568 ( -7.620 10.323 2.054) 12.995 3.767 ( 3.243 -9.659 -6.988) 12.355 3.767 ( 3.243 -9.659 6.988) 12.355 3.984 ( -7.089 2.267 -2.171) 7.753 3.984 ( -7.089 2.267 2.171) 7.753 4.413 ( 5.825 -0.658 -4.525) 7.406 4.413 ( 5.825 -0.658 4.525) 7.406 4.962 ( -9.990 0.253 -8.912) 13.390 4.962 ( -9.990 0.253 8.912) 13.390 5.310 ( 0.398 0.222 -9.236) 9.247 5.310 ( 0.398 0.222 9.236) 9.247 5.626 ( -4.768 1.738 -4.049) 6.493 5.626 ( -4.768 1.738 4.049) 6.493 5.922 ( 2.309 11.098 -6.969) 13.306 5.922 ( 2.309 11.098 6.969) 13.306 6.139 ( 0.161 -1.509 -6.462) 6.638 6.139 ( 0.161 -1.509 6.462) 6.638 6.438 ( -1.810 1.484 -4.636) 5.193 6.438 ( -1.810 1.484 4.636) 5.193 6.756 ( 6.561 -2.884 -4.105) 8.259 6.756 ( 6.561 -2.884 4.105) 8.259 7.155 ( -1.757 11.097 -9.328) 14.603 7.155 ( -1.757 11.097 9.328) 14.603 7.571 ( -5.278 3.408 -4.134) 7.521 7.571 ( -5.278 3.408 4.134) 7.521 8.122 ( -7.054 5.129 -10.069) 13.321 8.122 ( -7.054 5.129 10.069) 13.321 8.580 ( 1.924 -8.491 -0.473) 8.719 8.580 ( 1.924 -8.491 0.473) 8.719 9.206 ( -2.796 -0.543 -6.781) 7.355 9.206 ( -2.796 -0.543 6.781) 7.355 9.872 ( -3.569 -2.632 -5.671) 7.199 9.872 ( -3.569 -2.632 5.671) 7.199 10.316 ( 2.128 -2.992 -5.268) 6.422 10.316 ( 2.128 -2.992 5.268) 6.422 10.443 ( -3.528 -2.386 -5.988) 7.348 10.443 ( -3.528 -2.386 5.988) 7.348 11.349 ( 2.098 -4.671 -5.801) 7.738 11.349 ( 2.098 -4.671 5.801) 7.738 13.577 ( -2.435 -4.854 -6.921) 8.797 13.577 ( -2.435 -4.854 6.921) 8.797 13.855 ( 1.708 1.646 -0.284) 2.389 13.855 ( 1.708 1.646 0.284) 2.389 15.607 ( -7.915 -0.387 -9.400) 12.294 15.607 ( -7.915 -0.387 9.400) 12.294 16.000 ( -0.195 1.038 -5.283) 5.388 16.000 ( -0.195 1.038 5.283) 5.388 16.509 ( 6.964 0.762 -1.866) 7.250 16.509 ( 6.964 0.762 1.866) 7.250 16.712 ( 3.194 7.683 -2.759) 8.766 16.712 ( 3.194 7.683 2.759) 8.766 18.948 ( -1.377 6.001 -7.880) 10.000 18.948 ( -1.377 6.001 7.880) 10.000 19.414 ( 2.124 1.208 -3.345) 4.142 19.414 ( 2.124 1.208 3.345) 4.142 24.074 ( 5.381 -16.780 -1.907) 17.724 24.074 ( 5.381 -16.780 1.907) 17.724 27.404 ( -26.452 -3.417 -4.978) 27.132 27.404 ( -26.452 -3.417 4.978) 27.132 28.838 ( -9.574 1.177 -6.896) 11.857 28.838 ( -9.574 1.177 6.896) 11.857 29.585 ( -0.853 1.006 -0.256) 1.343 29.585 ( -0.853 1.006 0.256) 1.343 30.334 ( 7.622 -0.953 -0.567) 7.702 30.334 ( 7.622 -0.953 0.567) 7.702 32.443 ( -0.263 -1.937 -2.394) 3.091 32.443 ( -0.263 -1.937 2.394) 3.091 32.837 ( 0.847 6.883 -6.476) 9.489 32.837 ( 0.847 6.883 6.476) 9.489 34.453 ( -5.817 -6.930 -20.966) 22.835 34.453 ( -5.817 -6.930 20.966) 22.835 35.680 ( 20.787 -0.732 -2.179) 20.914 35.680 ( 20.787 -0.732 2.179) 20.914 ======================= Grid point 264 (82/93) ======================= q-point: (-0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -8.333 10.932 -12.015) 18.256 2.236 ( -8.333 10.932 12.015) 18.256 2.690 ( -17.219 7.665 -4.260) 19.324 2.690 ( -17.219 7.665 4.260) 19.324 3.362 ( -1.700 6.420 -9.185) 11.334 3.362 ( -1.700 6.420 9.185) 11.334 3.731 ( -14.298 0.313 -11.664) 18.455 3.731 ( -14.298 0.313 11.664) 18.455 3.984 ( 8.537 0.469 -4.230) 9.539 3.984 ( 8.537 0.469 4.230) 9.539 4.526 ( 8.981 3.913 -5.630) 11.299 4.526 ( 8.981 3.913 5.630) 11.299 4.758 ( -13.215 4.986 -6.276) 15.456 4.758 ( -13.215 4.986 6.276) 15.456 5.258 ( -7.777 0.224 -9.406) 12.207 5.258 ( -7.777 0.224 9.406) 12.207 5.553 ( -1.697 -0.777 -5.265) 5.586 5.553 ( -1.697 -0.777 5.265) 5.586 5.801 ( 1.050 11.826 -6.088) 13.342 5.801 ( 1.050 11.826 6.088) 13.342 6.133 ( -1.080 -1.279 -7.779) 7.958 6.133 ( -1.080 -1.279 7.779) 7.958 6.452 ( 2.212 0.276 -4.574) 5.088 6.452 ( 2.212 0.276 4.574) 5.088 6.834 ( 2.368 2.923 -3.437) 5.096 6.834 ( 2.368 2.923 3.437) 5.096 7.033 ( -0.536 5.703 -4.308) 7.168 7.033 ( -0.536 5.703 4.308) 7.168 7.427 ( -8.691 1.010 -2.960) 9.237 7.427 ( -8.691 1.010 2.960) 9.237 7.959 ( -5.046 7.066 -12.282) 15.041 7.959 ( -5.046 7.066 12.282) 15.041 8.733 ( 3.353 -9.207 -4.103) 10.623 8.733 ( 3.353 -9.207 4.103) 10.623 9.210 ( -0.669 -6.292 -8.023) 10.218 9.210 ( -0.669 -6.292 8.023) 10.218 9.851 ( -3.494 -2.911 -8.312) 9.475 9.851 ( -3.494 -2.911 8.312) 9.475 10.355 ( -2.920 -5.047 -3.820) 6.971 10.355 ( -2.920 -5.047 3.820) 6.971 10.479 ( 3.622 -2.870 -3.576) 5.843 10.479 ( 3.622 -2.870 3.576) 5.843 11.456 ( 3.316 -5.979 -7.870) 10.425 11.456 ( 3.316 -5.979 7.870) 10.425 13.597 ( -2.081 -4.336 -6.992) 8.486 13.597 ( -2.081 -4.336 6.992) 8.486 13.843 ( 0.501 3.162 -0.251) 3.211 13.843 ( 0.501 3.162 0.251) 3.211 15.507 ( -5.795 -0.579 -11.320) 12.731 15.507 ( -5.795 -0.579 11.320) 12.731 15.984 ( -0.264 1.048 -3.213) 3.390 15.984 ( -0.264 1.048 3.213) 3.390 16.573 ( 4.147 4.199 -3.746) 6.989 16.573 ( 4.147 4.199 3.746) 6.989 16.677 ( 3.105 5.648 -6.139) 8.901 16.677 ( 3.105 5.648 6.139) 8.901 18.863 ( -1.714 4.040 -9.100) 10.103 18.863 ( -1.714 4.040 9.100) 10.103 19.445 ( 2.839 -0.219 -4.884) 5.653 19.445 ( 2.839 -0.219 4.884) 5.653 24.379 ( 9.525 -15.880 -5.826) 19.412 24.379 ( 9.525 -15.880 5.826) 19.412 27.052 ( -24.785 -3.485 -3.977) 25.343 27.052 ( -24.785 -3.485 3.977) 25.343 28.633 ( -14.108 0.820 -2.608) 14.370 28.633 ( -14.108 0.820 2.608) 14.370 29.589 ( 2.381 1.688 -1.262) 3.180 29.589 ( 2.381 1.688 1.262) 3.180 30.457 ( 5.959 -2.130 -2.026) 6.645 30.457 ( 5.959 -2.130 2.026) 6.645 32.459 ( -0.169 -1.241 -2.923) 3.180 32.459 ( -0.169 -1.241 2.923) 3.180 32.766 ( 0.147 6.499 -5.100) 8.262 32.766 ( 0.147 6.499 5.100) 8.262 34.406 ( -4.583 0.623 -12.351) 13.188 34.406 ( -4.583 0.623 12.351) 13.188 36.069 ( 21.325 -9.822 -7.653) 24.694 36.069 ( 21.325 -9.822 7.653) 24.694 ======================= Grid point 266 (83/93) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -13.175 8.572 -20.353) 25.716 1.961 ( -13.175 8.572 20.353) 25.716 2.289 ( -12.144 15.066 -13.029) 23.328 2.289 ( -12.144 15.066 13.029) 23.328 3.218 ( -1.119 19.641 -2.240) 19.800 3.218 ( -1.119 19.641 2.240) 19.800 3.580 ( -7.174 -2.234 -27.106) 28.128 3.580 ( -7.174 -2.234 27.106) 28.128 4.082 ( 8.255 3.914 -6.339) 11.120 4.082 ( 8.255 3.914 6.339) 11.120 4.404 ( -9.259 12.736 -9.019) 18.146 4.404 ( -9.259 12.736 9.019) 18.146 4.650 ( 4.859 2.938 -5.819) 8.130 4.650 ( 4.859 2.938 5.819) 8.130 5.081 ( -10.476 3.019 -11.448) 15.808 5.081 ( -10.476 3.019 11.448) 15.808 5.592 ( 3.183 1.600 -2.443) 4.320 5.592 ( 3.183 1.600 2.443) 4.320 5.695 ( -2.368 3.035 -8.302) 9.151 5.695 ( -2.368 3.035 8.302) 9.151 6.181 ( 2.155 -5.759 -13.009) 14.389 6.181 ( 2.155 -5.759 13.009) 14.389 6.469 ( 4.001 2.999 -7.151) 8.726 6.469 ( 4.001 2.999 7.151) 8.726 6.728 ( -9.565 4.318 -10.068) 14.543 6.728 ( -9.565 4.318 10.068) 14.543 7.032 ( 5.146 2.782 -7.710) 9.678 7.032 ( 5.146 2.782 7.710) 9.678 7.323 ( -6.824 -4.489 -4.235) 9.200 7.323 ( -6.824 -4.489 4.235) 9.200 7.807 ( -2.597 9.342 -13.106) 16.303 7.807 ( -2.597 9.342 13.106) 16.303 8.859 ( 2.020 -5.034 -8.989) 10.499 8.859 ( 2.020 -5.034 8.989) 10.499 9.356 ( 2.882 -15.583 -12.197) 19.997 9.356 ( 2.882 -15.583 12.197) 19.997 9.830 ( -3.595 -2.846 -9.316) 10.383 9.830 ( -3.595 -2.846 9.316) 10.383 10.375 ( -2.164 -5.498 -8.618) 10.449 10.375 ( -2.164 -5.498 8.618) 10.449 10.570 ( 2.872 -3.174 -4.459) 6.181 10.570 ( 2.872 -3.174 4.459) 6.181 11.573 ( 2.408 -6.241 -9.293) 11.450 11.573 ( 2.408 -6.241 9.293) 11.450 13.611 ( -1.207 -2.228 -6.168) 6.668 13.611 ( -1.207 -2.228 6.168) 6.668 13.804 ( 0.020 3.876 -0.047) 3.876 13.804 ( 0.020 3.876 0.047) 3.876 15.446 ( -3.079 -0.408 -12.334) 12.719 15.446 ( -3.079 -0.408 12.334) 12.719 15.971 ( -0.198 0.332 -1.786) 1.828 15.971 ( -0.198 0.332 1.786) 1.828 16.533 ( 1.137 7.929 -8.866) 11.949 16.533 ( 1.137 7.929 8.866) 11.949 16.679 ( 2.155 2.442 -10.227) 10.733 16.679 ( 2.155 2.442 10.227) 10.733 18.811 ( -1.041 1.156 -9.351) 9.480 18.811 ( -1.041 1.156 9.351) 9.480 19.503 ( 2.798 -1.952 -5.870) 6.789 19.503 ( 2.798 -1.952 5.870) 6.789 24.711 ( 10.424 -13.850 -12.631) 21.449 24.711 ( 10.424 -13.850 12.631) 21.449 26.747 ( -18.315 -1.618 -1.345) 18.436 26.747 ( -18.315 -1.618 1.345) 18.436 28.432 ( -9.852 1.185 -1.660) 10.061 28.432 ( -9.852 1.185 1.660) 10.061 29.603 ( 1.627 1.335 -3.951) 4.477 29.603 ( 1.627 1.335 3.951) 4.477 30.553 ( 3.353 -1.784 -3.789) 5.365 30.553 ( 3.353 -1.784 3.789) 5.365 32.460 ( -0.111 0.974 -2.212) 2.419 32.460 ( -0.111 0.974 2.212) 2.419 32.700 ( -0.274 4.168 -2.707) 4.978 32.700 ( -0.274 4.168 2.707) 4.978 34.305 ( -2.148 8.187 -5.733) 10.223 34.305 ( -2.148 8.187 5.733) 10.223 36.525 ( 15.048 -19.771 -12.006) 27.595 36.525 ( 15.048 -19.771 12.006) 27.595 ======================= Grid point 268 (84/93) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.000 10.946 -22.255) 24.802 1.709 ( 0.000 10.946 22.255) 24.802 2.038 ( 0.000 15.079 -19.840) 24.920 2.038 ( 0.000 15.079 19.840) 24.920 2.942 ( 0.000 22.988 -2.569) 23.131 2.942 ( 0.000 22.988 2.569) 23.131 3.467 ( 0.000 12.425 -27.067) 29.782 3.467 ( 0.000 12.425 27.067) 29.782 4.111 ( 0.000 5.698 -6.076) 8.330 4.111 ( 0.000 5.698 6.076) 8.330 4.215 ( 0.000 4.693 -16.920) 17.559 4.215 ( 0.000 4.693 16.920) 17.559 4.673 ( -0.000 -0.230 -7.368) 7.371 4.673 ( -0.000 -0.230 7.368) 7.371 4.958 ( 0.000 1.696 -13.794) 13.898 4.958 ( 0.000 1.696 13.794) 13.898 5.499 ( 0.000 12.097 -3.850) 12.695 5.499 ( 0.000 12.097 3.850) 12.695 5.709 ( -0.000 -1.703 -14.074) 14.176 5.709 ( -0.000 -1.703 14.074) 14.176 6.284 ( -0.000 -4.593 -17.600) 18.190 6.284 ( -0.000 -4.593 17.600) 18.190 6.515 ( 0.000 5.247 -4.995) 7.245 6.515 ( 0.000 5.247 4.995) 7.245 6.575 ( -0.000 -7.457 -13.368) 15.307 6.575 ( -0.000 -7.457 13.368) 15.307 7.035 ( 0.000 4.249 -8.078) 9.127 7.035 ( 0.000 4.249 8.078) 9.127 7.354 ( -0.000 -9.309 -2.814) 9.725 7.354 ( -0.000 -9.309 2.814) 9.725 7.665 ( 0.000 11.470 -11.745) 16.417 7.665 ( 0.000 11.470 11.745) 16.417 8.919 ( -0.000 -3.279 -10.416) 10.919 8.919 ( -0.000 -3.279 10.416) 10.919 9.613 ( -0.000 -21.446 -13.863) 25.537 9.613 ( -0.000 -21.446 13.863) 25.537 9.820 ( -0.000 -1.758 -10.282) 10.431 9.820 ( -0.000 -1.758 10.282) 10.431 10.420 ( -0.000 -5.301 -9.867) 11.201 10.420 ( -0.000 -5.301 9.867) 11.201 10.627 ( -0.000 -2.653 -4.877) 5.552 10.627 ( -0.000 -2.653 4.877) 5.552 11.661 ( -0.000 -5.446 -9.960) 11.351 11.661 ( -0.000 -5.446 9.960) 11.351 13.607 ( 0.000 1.529 -4.152) 4.425 13.607 ( 0.000 1.529 4.152) 4.425 13.760 ( 0.000 3.615 -0.688) 3.680 13.760 ( 0.000 3.615 0.688) 3.680 15.425 ( -0.000 -0.194 -12.289) 12.290 15.425 ( -0.000 -0.194 12.289) 12.290 15.974 ( -0.000 -1.161 -1.667) 2.032 15.974 ( -0.000 -1.161 1.667) 2.032 16.455 ( 0.000 6.112 -8.227) 10.249 16.455 ( 0.000 6.112 8.227) 10.249 16.669 ( 0.000 2.085 -10.535) 10.739 16.669 ( 0.000 2.085 10.535) 10.739 18.806 ( -0.000 -1.596 -8.568) 8.715 18.806 ( -0.000 -1.596 8.568) 8.715 19.555 ( -0.000 -2.085 -6.954) 7.260 19.555 ( -0.000 -2.085 6.954) 7.260 24.953 ( -0.000 -9.967 -21.518) 23.714 24.953 ( -0.000 -9.967 21.518) 23.714 26.591 ( 0.000 0.589 -1.674) 1.775 26.591 ( 0.000 0.589 1.674) 1.775 28.335 ( 0.000 1.435 -1.653) 2.189 28.335 ( 0.000 1.435 1.653) 2.189 29.603 ( 0.000 0.980 -6.208) 6.285 29.603 ( 0.000 0.980 6.208) 6.285 30.591 ( -0.000 -0.108 -4.346) 4.348 30.591 ( -0.000 -0.108 4.346) 4.348 32.435 ( 0.000 2.808 -1.124) 3.025 32.435 ( 0.000 2.808 1.124) 3.025 32.669 ( 0.000 0.742 -2.741) 2.839 32.669 ( 0.000 0.742 2.741) 2.839 34.149 ( 0.000 16.003 -3.743) 16.435 34.149 ( 0.000 16.003 3.743) 16.435 36.932 ( -0.000 -27.797 -14.300) 31.260 36.932 ( -0.000 -27.797 14.300) 31.260 ======================= Grid point 278 (85/93) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 9.555 -0.000 -6.529) 11.573 2.438 ( 9.555 -0.000 6.529) 11.573 3.026 ( -6.636 0.000 -6.658) 9.400 3.026 ( -6.636 0.000 6.658) 9.400 3.290 ( 4.226 -0.000 -13.601) 14.243 3.290 ( 4.226 -0.000 13.601) 14.243 3.966 ( -0.304 0.000 -3.707) 3.720 3.966 ( -0.304 0.000 3.707) 3.720 3.991 ( 13.095 -0.000 -9.752) 16.328 3.991 ( 13.095 -0.000 9.752) 16.328 4.442 ( -10.103 0.000 -6.840) 12.200 4.442 ( -10.103 0.000 6.840) 12.200 5.169 ( 5.218 -0.000 -3.789) 6.448 5.169 ( 5.218 -0.000 3.789) 6.448 5.206 ( -6.866 0.000 -12.335) 14.117 5.206 ( -6.866 0.000 12.335) 14.117 5.593 ( 7.907 -0.000 -2.041) 8.167 5.593 ( 7.907 -0.000 2.041) 8.167 6.011 ( -0.046 0.000 -0.614) 0.616 6.011 ( -0.046 0.000 0.614) 0.616 6.130 ( -6.412 0.000 -0.801) 6.461 6.130 ( -6.412 0.000 0.801) 6.461 6.388 ( 15.545 -0.000 -0.985) 15.577 6.388 ( 15.545 -0.000 0.985) 15.577 6.810 ( -4.548 0.000 -10.293) 11.253 6.810 ( -4.548 0.000 10.293) 11.253 7.277 ( -1.850 0.000 -8.319) 8.522 7.277 ( -1.850 0.000 8.319) 8.522 7.758 ( 2.898 -0.000 -2.662) 3.935 7.758 ( 2.898 -0.000 2.662) 3.935 8.340 ( -7.359 0.000 -7.456) 10.476 8.340 ( -7.359 0.000 7.456) 10.476 8.461 ( -2.389 0.000 -3.021) 3.851 8.461 ( -2.389 0.000 3.021) 3.851 9.264 ( -3.900 0.000 -8.192) 9.073 9.264 ( -3.900 0.000 8.192) 9.073 9.879 ( -4.721 0.000 -0.521) 4.750 9.879 ( -4.721 0.000 0.521) 4.750 10.258 ( -0.689 0.000 -4.708) 4.759 10.258 ( -0.689 0.000 4.708) 4.759 10.484 ( -6.539 0.000 -2.467) 6.989 10.484 ( -6.539 0.000 2.467) 6.989 11.262 ( -2.203 0.000 -2.701) 3.485 11.262 ( -2.203 0.000 2.701) 3.485 13.510 ( -2.212 0.000 -6.883) 7.229 13.510 ( -2.212 0.000 6.883) 7.229 13.826 ( 4.055 -0.000 -1.859) 4.461 13.826 ( 4.055 -0.000 1.859) 4.461 15.730 ( -7.552 0.000 -6.949) 10.263 15.730 ( -7.552 0.000 6.949) 10.263 16.021 ( -0.609 0.000 -7.806) 7.830 16.021 ( -0.609 0.000 7.806) 7.830 16.403 ( 7.273 -0.000 -0.078) 7.273 16.403 ( 7.273 -0.000 0.078) 7.273 16.835 ( 2.325 -0.000 -1.007) 2.534 16.835 ( 2.325 -0.000 1.007) 2.534 19.114 ( -1.436 0.000 -5.832) 6.006 19.114 ( -1.436 0.000 5.832) 6.006 19.424 ( 4.396 -0.000 -1.020) 4.512 19.424 ( 4.396 -0.000 1.020) 4.512 23.631 ( 0.142 -0.000 -1.089) 1.098 23.631 ( 0.142 -0.000 1.089) 1.098 27.747 ( -26.021 0.000 -4.364) 26.384 27.747 ( -26.021 0.000 4.364) 26.384 28.910 ( 5.320 -0.000 -17.225) 18.028 28.910 ( 5.320 -0.000 17.225) 18.028 29.664 ( -9.231 0.000 -1.195) 9.308 29.664 ( -9.231 0.000 1.195) 9.308 30.228 ( 6.543 -0.000 -2.573) 7.031 30.228 ( 6.543 -0.000 2.573) 7.031 32.413 ( -0.831 0.000 -0.727) 1.104 32.413 ( -0.831 0.000 0.727) 1.104 32.981 ( 1.322 -0.000 -5.889) 6.035 32.981 ( 1.322 -0.000 5.889) 6.035 34.220 ( 4.610 -0.000 -28.027) 28.403 34.220 ( 4.610 -0.000 28.027) 28.403 35.530 ( 6.422 -0.000 -1.301) 6.553 35.530 ( 6.422 -0.000 1.301) 6.553 ======================= Grid point 280 (86/93) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 3.529 1.303 -5.043) 6.291 2.537 ( 3.529 1.303 5.043) 6.291 2.873 ( -11.576 -0.119 -11.329) 16.198 2.873 ( -11.576 -0.119 11.329) 16.198 3.436 ( 4.642 -8.756 -4.362) 10.828 3.436 ( 4.642 -8.756 4.362) 10.828 3.823 ( -9.800 4.898 -14.360) 18.062 3.823 ( -9.800 4.898 14.360) 18.062 4.108 ( -0.898 5.358 -2.299) 5.899 4.108 ( -0.898 5.358 2.299) 5.899 4.346 ( 1.537 -3.027 -2.203) 4.047 4.346 ( 1.537 -3.027 2.203) 4.047 5.034 ( -6.751 5.741 -8.303) 12.144 5.034 ( -6.751 5.741 8.303) 12.144 5.280 ( 1.083 -3.918 -10.616) 11.368 5.280 ( 1.083 -3.918 10.616) 11.368 5.691 ( 1.732 3.307 -2.699) 4.607 5.691 ( 1.732 3.307 2.699) 4.607 5.958 ( -3.186 -6.923 -5.545) 9.425 5.958 ( -3.186 -6.923 5.545) 9.425 6.128 ( 4.987 3.305 -8.078) 10.053 6.128 ( 4.987 3.305 8.078) 10.053 6.573 ( 3.440 3.831 -4.724) 6.987 6.573 ( 3.440 3.831 4.724) 6.987 6.731 ( 4.729 3.244 -7.043) 9.082 6.731 ( 4.729 3.244 7.043) 9.082 7.254 ( -4.246 -2.926 -9.206) 10.552 7.254 ( -4.246 -2.926 9.206) 10.552 7.737 ( -0.001 8.456 -3.416) 9.120 7.737 ( -0.001 8.456 3.416) 9.120 8.188 ( -9.272 0.310 -6.718) 11.454 8.188 ( -9.272 0.310 6.718) 11.454 8.450 ( -1.483 -2.258 -3.507) 4.426 8.450 ( -1.483 -2.258 3.507) 4.426 9.199 ( -4.856 -0.328 -7.857) 9.242 9.199 ( -4.856 -0.328 7.857) 9.242 9.820 ( -3.847 -1.405 -2.001) 4.559 9.820 ( -3.847 -1.405 2.001) 4.559 10.274 ( 1.046 -0.760 -4.123) 4.321 10.274 ( 1.046 -0.760 4.123) 4.321 10.399 ( -4.332 -1.192 -6.628) 8.007 10.399 ( -4.332 -1.192 6.628) 8.007 11.265 ( 0.850 -2.101 -5.694) 6.128 11.265 ( 0.850 -2.101 5.694) 6.128 13.487 ( -2.431 -2.293 -8.029) 8.697 13.487 ( -2.431 -2.293 8.029) 8.697 13.877 ( 2.727 0.399 -0.823) 2.877 13.877 ( 2.727 0.399 0.823) 2.877 15.603 ( -8.212 -0.049 -9.595) 12.630 15.603 ( -8.212 -0.049 9.595) 12.630 16.022 ( 0.555 0.670 -6.661) 6.718 16.022 ( 0.555 0.670 6.661) 6.718 16.518 ( 7.731 0.152 -2.053) 8.000 16.518 ( 7.731 0.152 2.053) 8.000 16.845 ( 1.566 3.098 -1.436) 3.757 16.845 ( 1.566 3.098 1.436) 3.757 19.065 ( -2.455 2.906 -7.442) 8.358 19.065 ( -2.455 2.906 7.442) 8.358 19.470 ( 3.591 2.614 -1.031) 4.559 19.470 ( 3.591 2.614 1.031) 4.559 23.720 ( 3.389 -10.168 -0.791) 10.747 23.720 ( 3.389 -10.168 0.791) 10.747 27.354 ( -25.890 -1.000 -2.978) 26.079 27.354 ( -25.890 -1.000 2.978) 26.079 28.856 ( -10.487 0.384 -7.405) 12.844 28.856 ( -10.487 0.384 7.405) 12.844 29.605 ( 0.829 0.525 -2.628) 2.805 29.605 ( 0.829 0.525 2.628) 2.805 30.319 ( 5.635 -0.280 -1.281) 5.785 30.319 ( 5.635 -0.280 1.281) 5.785 32.407 ( -0.553 -0.885 -1.794) 2.076 32.407 ( -0.553 -0.885 1.794) 2.076 32.976 ( 1.084 3.882 -6.195) 7.391 32.976 ( 1.084 3.882 6.195) 7.391 34.281 ( -0.679 -5.332 -27.030) 27.559 34.281 ( -0.679 -5.332 27.030) 27.559 35.695 ( 14.996 0.873 -3.095) 15.337 35.695 ( 14.996 0.873 3.095) 15.337 ======================= Grid point 282 (87/93) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -11.164 6.072 -11.734) 17.297 2.443 ( -11.164 6.072 11.734) 17.297 2.757 ( -6.073 -2.199 -3.626) 7.408 2.757 ( -6.073 -2.199 3.626) 7.408 3.384 ( -14.016 0.616 -21.846) 25.963 3.384 ( -14.016 0.616 21.846) 25.963 3.808 ( 5.683 -0.958 -11.934) 13.253 3.808 ( 5.683 -0.958 11.934) 13.253 3.982 ( -1.128 3.377 -3.475) 4.975 3.982 ( -1.128 3.376 3.475) 4.975 4.458 ( 2.208 -7.048 -2.081) 7.673 4.458 ( 2.208 -7.048 2.081) 7.673 4.860 ( -5.790 7.623 -10.078) 13.900 4.860 ( -5.790 7.623 10.078) 13.900 5.285 ( -4.567 -0.215 -12.262) 13.087 5.285 ( -4.567 -0.215 12.262) 13.087 5.595 ( -3.846 2.962 -6.949) 8.477 5.595 ( -3.846 2.962 6.949) 8.477 6.046 ( 1.905 -0.799 -2.224) 3.035 6.046 ( 1.905 -0.799 2.224) 3.035 6.147 ( 3.489 7.275 -2.058) 8.327 6.147 ( 3.489 7.275 2.058) 8.327 6.472 ( 1.038 4.730 -6.167) 7.841 6.472 ( 1.038 4.730 6.167) 7.841 6.857 ( 6.678 -0.081 -2.561) 7.153 6.857 ( 6.678 -0.081 2.561) 7.153 7.201 ( -2.939 2.182 -10.013) 10.661 7.201 ( -2.939 2.182 10.013) 10.661 7.561 ( -6.249 12.333 -4.126) 14.429 7.561 ( -6.249 12.333 4.126) 14.429 8.072 ( -5.222 1.570 -9.239) 10.728 8.072 ( -5.222 1.570 9.239) 10.728 8.497 ( 0.325 -8.410 -3.626) 9.164 8.497 ( 0.325 -8.410 3.626) 9.164 9.133 ( -4.841 -1.822 -7.064) 8.755 9.133 ( -4.841 -1.822 7.064) 8.755 9.791 ( -2.974 -2.160 -4.539) 5.841 9.791 ( -2.974 -2.160 4.539) 5.841 10.271 ( -2.921 -2.156 -6.280) 7.254 10.271 ( -2.921 -2.156 6.280) 7.254 10.414 ( 2.672 -2.490 -4.530) 5.819 10.414 ( 2.672 -2.490 4.530) 5.819 11.328 ( 2.094 -4.482 -7.474) 8.963 11.328 ( 2.094 -4.482 7.474) 8.963 13.490 ( -2.042 -4.027 -8.554) 9.673 13.490 ( -2.042 -4.027 8.554) 9.673 13.897 ( 1.272 1.484 -0.110) 1.958 13.897 ( 1.272 1.484 0.110) 1.958 15.497 ( -5.764 -0.296 -11.788) 13.125 15.497 ( -5.764 -0.296 11.788) 13.125 16.016 ( 0.220 1.450 -4.961) 5.173 16.016 ( 0.220 1.450 4.961) 5.173 16.623 ( 6.635 0.997 -3.187) 7.428 16.623 ( 6.635 0.997 3.187) 7.428 16.816 ( 0.754 4.744 -2.010) 5.207 16.816 ( 0.754 4.744 2.010) 5.207 18.981 ( -2.496 4.727 -8.793) 10.291 18.981 ( -2.496 4.727 8.793) 10.291 19.481 ( 2.817 3.333 -2.171) 4.874 19.481 ( 2.817 3.333 2.171) 4.874 23.954 ( 5.624 -17.688 -2.956) 18.795 23.954 ( 5.624 -17.688 2.956) 18.795 26.998 ( -22.318 -1.356 -1.326) 22.399 26.998 ( -22.318 -1.356 1.326) 22.399 28.652 ( -13.684 0.706 -3.122) 14.053 28.652 ( -13.684 0.706 3.122) 14.053 29.629 ( 2.727 1.452 -1.663) 3.509 29.629 ( 2.727 1.452 1.663) 3.509 30.409 ( 4.597 -1.668 -1.044) 5.001 30.409 ( 4.597 -1.668 1.044) 5.001 32.417 ( -0.157 -1.753 -2.825) 3.328 32.417 ( -0.157 -1.753 2.825) 3.328 32.929 ( 0.765 6.385 -6.695) 9.284 32.929 ( 0.765 6.385 6.695) 9.284 34.324 ( -1.930 -5.554 -21.763) 22.543 34.324 ( -1.930 -5.554 21.763) 22.543 35.940 ( 15.512 -2.327 -1.882) 15.798 35.940 ( 15.512 -2.327 1.882) 15.798 ======================= Grid point 284 (88/93) ======================= q-point: (-0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -15.185 6.548 -17.597) 24.148 2.145 ( -15.185 6.548 17.597) 24.148 2.613 ( -6.453 10.891 -2.392) 12.883 2.613 ( -6.453 10.891 2.392) 12.883 3.301 ( -1.933 -8.666 -26.480) 27.929 3.301 ( -1.933 -8.666 26.480) 27.929 3.686 ( -4.504 13.133 -5.811) 15.051 3.686 ( -4.504 13.133 5.811) 15.051 4.123 ( 10.051 -1.987 -2.369) 10.516 4.123 ( 10.051 -1.987 2.369) 10.516 4.524 ( -9.607 -9.478 -7.142) 15.269 4.524 ( -9.607 -9.478 7.142) 15.269 4.729 ( 4.500 8.278 -7.820) 12.244 4.729 ( 4.500 8.278 7.820) 12.244 5.151 ( -8.641 3.221 -14.522) 17.202 5.151 ( -8.641 3.221 14.522) 17.202 5.553 ( 0.571 1.925 -6.885) 7.172 5.553 ( 0.571 1.925 6.885) 7.172 5.974 ( 0.466 13.511 -1.363) 13.587 5.974 ( 0.466 13.511 1.363) 13.587 6.084 ( -1.890 0.530 -12.346) 12.501 6.084 ( -1.890 0.530 12.346) 12.501 6.555 ( 9.260 1.140 -4.305) 10.276 6.555 ( 9.260 1.140 4.305) 10.276 6.855 ( -5.070 3.170 -8.251) 10.190 6.855 ( -5.070 3.170 8.251) 10.190 7.144 ( 3.549 7.280 -7.623) 11.123 7.144 ( 3.549 7.280 7.623) 11.123 7.326 ( -8.044 6.632 -6.921) 12.514 7.326 ( -8.044 6.632 6.921) 12.514 7.977 ( -2.415 4.945 -11.638) 12.874 7.977 ( -2.415 4.945 11.638) 12.874 8.642 ( 1.517 -12.523 -0.161) 12.616 8.642 ( 1.517 -12.523 0.161) 12.616 9.117 ( -2.100 -5.475 -8.271) 10.139 9.117 ( -2.100 -5.475 8.271) 10.139 9.775 ( -2.320 -2.042 -6.529) 7.223 9.775 ( -2.320 -2.042 6.529) 7.223 10.266 ( -1.801 -3.611 -9.858) 10.651 10.266 ( -1.801 -3.611 9.858) 10.651 10.493 ( 2.535 -3.290 -4.081) 5.823 10.493 ( 2.535 -3.290 4.081) 5.823 11.422 ( 1.714 -6.303 -8.647) 10.837 11.422 ( 1.714 -6.303 8.647) 10.837 13.517 ( -1.211 -4.800 -8.570) 9.898 13.517 ( -1.211 -4.800 8.570) 9.898 13.884 ( 0.328 2.711 -0.553) 2.786 13.884 ( 0.327 2.711 0.553) 2.786 15.436 ( -2.898 -0.403 -13.188) 13.509 15.436 ( -2.898 -0.403 13.188) 13.509 15.998 ( -0.011 1.715 -3.407) 3.815 15.998 ( -0.011 1.715 3.407) 3.815 16.685 ( 4.317 3.549 -2.722) 6.216 16.685 ( 4.317 3.549 2.722) 6.216 16.761 ( -0.273 4.919 -4.444) 6.635 16.761 ( -0.273 4.919 4.444) 6.635 18.892 ( -1.493 5.023 -9.534) 10.879 18.892 ( -1.493 5.023 9.534) 10.879 19.489 ( 1.947 1.377 -2.936) 3.782 19.489 ( 1.947 1.377 2.936) 3.782 24.274 ( 5.536 -21.635 -6.086) 23.147 24.274 ( 5.536 -21.635 6.086) 23.147 26.725 ( -14.376 -0.496 -0.626) 14.398 26.725 ( -14.376 -0.496 0.626) 14.398 28.463 ( -8.856 1.345 -2.122) 9.206 28.463 ( -8.856 1.345 2.122) 9.206 29.643 ( 1.546 1.817 -0.889) 2.546 29.643 ( 1.546 1.817 0.889) 2.546 30.492 ( 2.695 -2.863 -3.020) 4.958 30.492 ( 2.695 -2.863 3.020) 4.958 32.438 ( -0.011 -1.953 -3.534) 4.037 32.438 ( -0.011 -1.953 3.534) 4.037 32.855 ( 0.325 7.683 -6.590) 10.127 32.855 ( 0.325 7.683 6.590) 10.127 34.349 ( -1.314 -2.883 -15.822) 16.137 34.349 ( -1.314 -2.883 15.822) 16.137 36.203 ( 10.362 -8.439 -1.605) 13.459 36.203 ( 10.362 -8.439 1.605) 13.459 ======================= Grid point 286 (89/93) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 7.833 -20.845) 22.268 1.927 ( 0.000 7.833 20.845) 22.268 2.392 ( 0.000 16.042 -12.173) 20.137 2.392 ( 0.000 16.042 12.173) 20.137 3.435 ( -0.000 -12.101 -27.919) 30.428 3.435 ( -0.000 -12.101 27.919) 30.428 3.452 ( 0.000 19.426 -5.850) 20.288 3.452 ( 0.000 19.426 5.850) 20.288 4.209 ( 0.000 2.801 -8.685) 9.125 4.209 ( 0.000 2.801 8.685) 9.125 4.415 ( 0.000 7.079 -17.066) 18.476 4.415 ( 0.000 7.079 17.066) 18.476 4.759 ( 0.000 2.120 -5.738) 6.117 4.759 ( 0.000 2.120 5.738) 6.117 5.022 ( 0.000 3.669 -16.632) 17.032 5.022 ( 0.000 3.669 16.632) 17.032 5.558 ( -0.000 -3.692 -2.163) 4.280 5.558 ( -0.000 -3.692 2.163) 4.280 5.815 ( 0.000 14.408 -3.044) 14.726 5.815 ( 0.000 14.408 3.044) 14.726 6.107 ( -0.000 -6.487 -16.771) 17.982 6.107 ( -0.000 -6.487 16.771) 17.982 6.632 ( 0.000 4.510 -2.656) 5.234 6.632 ( 0.000 4.510 2.656) 5.234 6.678 ( 0.000 10.279 -16.743) 19.646 6.678 ( 0.000 10.279 16.743) 19.646 7.154 ( 0.000 5.653 -6.935) 8.948 7.154 ( 0.000 5.653 6.935) 8.948 7.191 ( -0.000 -2.680 -8.808) 9.207 7.191 ( -0.000 -2.680 8.808) 9.207 7.887 ( 0.000 7.457 -13.026) 15.010 7.887 ( 0.000 7.457 13.026) 15.010 8.790 ( -0.000 -9.768 -5.349) 11.137 8.790 ( -0.000 -9.768 5.349) 11.137 9.205 ( -0.000 -12.024 -11.737) 16.803 9.205 ( -0.000 -12.024 11.737) 16.803 9.776 ( -0.000 -1.863 -7.932) 8.148 9.776 ( -0.000 -1.863 7.932) 8.148 10.301 ( -0.000 -4.653 -10.837) 11.794 10.301 ( -0.000 -4.653 10.837) 11.794 10.554 ( -0.000 -3.481 -4.301) 5.533 10.554 ( -0.000 -3.481 4.301) 5.533 11.514 ( -0.000 -6.901 -9.325) 11.601 11.514 ( -0.000 -6.901 9.325) 11.601 13.561 ( -0.000 -4.368 -7.920) 9.045 13.561 ( -0.000 -4.368 7.920) 9.045 13.849 ( 0.000 3.622 -0.497) 3.656 13.849 ( 0.000 3.622 0.497) 3.656 15.418 ( -0.000 -0.372 -13.324) 13.329 15.418 ( -0.000 -0.372 13.324) 13.329 15.980 ( 0.000 1.318 -2.202) 2.566 15.980 ( 0.000 1.318 2.202) 2.566 16.643 ( 0.000 8.405 -9.808) 12.917 16.643 ( 0.000 8.405 9.808) 12.917 16.722 ( 0.000 2.340 -10.944) 11.191 16.722 ( 0.000 2.340 10.944) 11.191 18.830 ( 0.000 3.522 -9.786) 10.401 18.830 ( 0.000 3.522 9.786) 10.401 19.505 ( -0.000 -1.113 -3.993) 4.146 19.505 ( -0.000 -1.113 3.993) 4.146 24.578 ( -0.000 -21.244 -10.276) 23.598 24.578 ( -0.000 -21.244 10.276) 23.598 26.605 ( 0.000 0.577 -1.878) 1.965 26.605 ( 0.000 0.577 1.878) 1.965 28.373 ( 0.000 1.753 -1.916) 2.597 28.373 ( 0.000 1.753 1.916) 2.597 29.634 ( 0.000 1.724 -2.751) 3.246 29.634 ( 0.000 1.724 2.751) 3.246 30.549 ( -0.000 -3.037 -4.001) 5.023 30.549 ( -0.000 -3.037 4.001) 5.023 32.457 ( -0.000 -1.130 -3.564) 3.738 32.457 ( -0.000 -1.130 3.564) 3.738 32.768 ( 0.000 7.290 -5.395) 9.069 32.768 ( 0.000 7.290 5.395) 9.069 34.346 ( 0.000 1.814 -10.269) 10.428 34.346 ( 0.000 1.814 10.269) 10.428 36.428 ( -0.000 -15.424 -6.092) 16.584 36.428 ( -0.000 -15.424 6.092) 16.584 ======================= Grid point 300 (90/93) ======================= q-point: ( 0.40 -0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -11.170 0.000 -12.996) 17.137 2.514 ( -11.170 0.000 12.996) 17.137 2.700 ( -6.870 0.000 -0.413) 6.882 2.700 ( -6.870 0.000 0.413) 6.882 3.396 ( -4.727 0.000 -0.778) 4.790 3.396 ( -4.727 0.000 0.778) 4.790 3.758 ( 1.127 -0.000 -23.486) 23.513 3.758 ( 1.127 -0.000 23.486) 23.513 4.061 ( -6.600 0.000 -3.357) 7.405 4.061 ( -6.600 0.000 3.358) 7.405 4.367 ( 0.884 -0.000 -6.628) 6.686 4.367 ( 0.884 -0.000 6.628) 6.686 5.005 ( -2.975 0.000 -2.315) 3.769 5.005 ( -2.975 0.000 2.315) 3.769 5.241 ( -1.812 0.000 -0.856) 2.004 5.241 ( -1.812 0.000 0.856) 2.004 5.634 ( -10.797 0.000 -2.467) 11.076 5.634 ( -10.797 0.000 2.467) 11.076 5.984 ( 11.263 -0.000 -1.256) 11.333 5.984 ( 11.263 -0.000 1.256) 11.333 6.253 ( 7.839 -0.000 -9.166) 12.061 6.253 ( 7.839 -0.000 9.166) 12.061 6.585 ( -4.317 0.000 -12.847) 13.553 6.585 ( -4.317 0.000 12.847) 13.553 6.855 ( 5.373 -0.000 -1.081) 5.481 6.855 ( 5.373 -0.000 1.081) 5.481 7.176 ( -0.916 0.000 -4.386) 4.480 7.176 ( -0.916 0.000 4.386) 4.480 7.796 ( -1.153 0.000 -1.753) 2.098 7.796 ( -1.153 0.000 1.753) 2.098 8.040 ( -8.619 0.000 -4.961) 9.945 8.040 ( -8.619 0.000 4.961) 9.945 8.404 ( -2.066 0.000 -7.315) 7.601 8.404 ( -2.066 0.000 7.315) 7.601 9.109 ( -6.175 0.000 -6.694) 9.107 9.109 ( -6.175 0.000 6.694) 9.107 9.764 ( -2.520 0.000 -0.814) 2.648 9.764 ( -2.520 0.000 0.814) 2.648 10.249 ( -3.091 0.000 -7.819) 8.408 10.249 ( -3.091 0.000 7.819) 8.408 10.381 ( 2.398 -0.000 -5.799) 6.276 10.381 ( 2.398 -0.000 5.799) 6.276 11.273 ( 1.584 -0.000 -7.327) 7.496 11.273 ( 1.584 -0.000 7.327) 7.496 13.439 ( -1.960 0.000 -9.068) 9.277 13.439 ( -1.960 0.000 9.068) 9.277 13.914 ( 1.618 -0.000 -0.074) 1.620 13.914 ( 1.618 -0.000 0.074) 1.620 15.494 ( -5.831 0.000 -11.933) 13.281 15.494 ( -5.831 0.000 11.933) 13.281 16.036 ( 0.456 -0.000 -5.952) 5.969 16.036 ( 0.456 -0.000 5.952) 5.969 16.634 ( 7.128 -0.000 -3.867) 8.109 16.634 ( 7.128 -0.000 3.867) 8.109 16.871 ( -0.148 0.000 -1.636) 1.643 16.871 ( -0.148 0.000 1.636) 1.643 19.038 ( -2.957 0.000 -8.550) 9.047 19.038 ( -2.957 0.000 8.550) 9.047 19.541 ( 3.071 -0.000 -1.982) 3.656 19.541 ( 3.071 -0.000 1.982) 3.656 23.720 ( 4.522 -0.000 -2.346) 5.094 23.720 ( 4.522 -0.000 2.346) 5.094 26.984 ( -21.527 0.000 -0.634) 21.536 26.984 ( -21.527 0.000 0.634) 21.536 28.661 ( -13.438 0.000 -3.197) 13.813 28.661 ( -13.438 0.000 3.197) 13.813 29.646 ( 2.810 -0.000 -2.695) 3.893 29.646 ( 2.810 -0.000 2.695) 3.893 30.389 ( 3.991 -0.000 -0.536) 4.027 30.389 ( 3.991 -0.000 0.536) 4.027 32.395 ( -0.224 0.000 -2.490) 2.500 32.395 ( -0.224 0.000 2.490) 2.500 33.012 ( 0.700 -0.000 -5.374) 5.419 33.012 ( 0.700 -0.000 5.374) 5.419 34.244 ( -0.413 0.000 -24.740) 24.744 34.244 ( -0.413 0.000 24.740) 24.744 35.919 ( 13.429 -0.000 -4.500) 14.163 35.919 ( 13.429 -0.000 4.500) 14.163 ======================= Grid point 304 (91/93) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -16.686 2.271 -16.909) 23.864 2.248 ( -16.686 2.271 16.909) 23.864 2.675 ( -1.425 -2.622 -7.223) 7.815 2.675 ( -1.425 -2.622 7.223) 7.815 3.281 ( -4.728 4.462 -19.569) 20.620 3.281 ( -4.728 4.462 19.569) 20.620 3.865 ( 3.577 -0.740 -11.600) 12.162 3.865 ( 3.577 -0.740 11.600) 12.162 3.986 ( 1.510 -3.454 -5.699) 6.833 3.986 ( 1.510 -3.454 5.699) 6.833 4.338 ( -6.919 -3.044 -6.491) 9.963 4.338 ( -6.919 -3.044 6.491) 9.963 4.946 ( 2.006 7.874 -7.211) 10.864 4.946 ( 2.006 7.874 7.211) 10.864 5.203 ( -4.829 0.358 -13.408) 14.255 5.203 ( -4.829 0.358 13.408) 14.255 5.514 ( -5.134 -3.869 -3.841) 7.489 5.514 ( -5.134 -3.869 3.841) 7.489 6.131 ( 7.488 3.406 -1.602) 8.381 6.131 ( 7.488 3.406 1.602) 8.381 6.308 ( 2.209 10.484 -3.726) 11.343 6.308 ( 2.209 10.484 3.726) 11.343 6.538 ( 3.945 -2.076 -8.206) 9.339 6.538 ( 3.945 -2.076 8.206) 9.339 6.843 ( -7.181 -2.087 -2.801) 7.986 6.843 ( -7.181 -2.087 2.801) 7.986 7.236 ( 6.638 1.221 -1.152) 6.846 7.236 ( 6.638 1.221 1.152) 6.846 7.641 ( -5.552 14.954 -2.165) 16.098 7.641 ( -5.552 14.954 2.165) 16.098 7.989 ( -3.247 -4.651 -6.688) 8.769 7.989 ( -3.247 -4.651 6.688) 8.769 8.412 ( -0.486 -5.289 -8.788) 10.268 8.412 ( -0.486 -5.289 8.788) 10.268 9.036 ( -4.185 -1.969 -5.516) 7.198 9.036 ( -4.185 -1.969 5.516) 7.198 9.740 ( -1.440 -0.858 -2.431) 2.953 9.740 ( -1.440 -0.858 2.431) 2.953 10.214 ( -1.822 -0.959 -10.637) 10.834 10.214 ( -1.822 -0.959 10.637) 10.834 10.432 ( 2.282 -1.654 -4.103) 4.978 10.432 ( 2.282 -1.654 4.103) 4.978 11.310 ( 1.180 -2.772 -8.162) 8.700 11.310 ( 1.180 -2.772 8.162) 8.700 13.429 ( -1.098 -2.191 -9.471) 9.783 13.429 ( -1.098 -2.191 9.471) 9.783 13.925 ( 0.606 0.878 -0.537) 1.194 13.925 ( 0.606 0.878 0.537) 1.194 15.429 ( -2.879 -0.173 -13.676) 13.977 15.429 ( -2.879 -0.173 13.676) 13.977 16.034 ( 0.165 1.015 -5.222) 5.322 16.034 ( 0.165 1.015 5.222) 5.322 16.727 ( 5.448 0.744 -5.576) 7.831 16.727 ( 5.448 0.744 5.576) 7.831 16.846 ( -1.558 1.848 -1.047) 2.634 16.846 ( -1.558 1.848 1.047) 2.634 18.986 ( -1.889 2.247 -9.480) 9.924 18.986 ( -1.889 2.247 9.480) 9.924 19.558 ( 1.776 3.094 -2.720) 4.486 19.558 ( 1.776 3.094 2.720) 4.486 23.852 ( 3.600 -11.457 -3.880) 12.621 23.852 ( 3.600 -11.457 3.880) 12.621 26.719 ( -12.778 -0.087 -1.231) 12.837 26.719 ( -12.778 -0.087 1.231) 12.837 28.487 ( -8.340 0.590 -2.377) 8.692 28.487 ( -8.340 0.590 2.377) 8.692 29.675 ( 1.447 0.779 -0.674) 1.776 29.675 ( 1.447 0.779 0.674) 1.776 30.443 ( 2.214 -1.152 -2.157) 3.298 30.443 ( 2.214 -1.152 2.157) 3.298 32.400 ( 0.015 -1.014 -3.073) 3.236 32.400 ( 0.015 -1.014 3.073) 3.236 32.998 ( 0.389 3.707 -5.771) 6.870 32.998 ( 0.389 3.707 5.771) 6.870 34.259 ( -0.312 -3.080 -21.739) 21.958 34.259 ( -0.312 -3.080 21.739) 21.958 36.095 ( 8.075 -1.848 -3.986) 9.192 36.095 ( 8.075 -1.848 3.986) 9.192 ======================= Grid point 306 (92/93) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.000 4.161 -19.495) 19.934 2.067 ( 0.000 4.161 19.495) 19.934 2.666 ( 0.000 3.533 -9.238) 9.890 2.666 ( 0.000 3.533 9.238) 9.890 3.216 ( -0.000 -1.164 -26.621) 26.646 3.216 ( -0.000 -1.164 26.621) 26.646 3.791 ( 0.000 9.584 -6.356) 11.500 3.791 ( 0.000 9.584 6.356) 11.500 4.225 ( -0.000 -17.766 -16.550) 24.281 4.225 ( -0.000 -17.766 16.550) 24.281 4.249 ( 0.000 0.824 -10.680) 10.712 4.249 ( 0.000 0.824 10.680) 10.712 4.876 ( 0.000 8.961 -9.353) 12.953 4.876 ( 0.000 8.961 9.353) 12.953 5.116 ( 0.000 3.914 -18.198) 18.614 5.116 ( 0.000 3.914 18.198) 18.614 5.546 ( -0.000 -4.519 -6.556) 7.962 5.546 ( -0.000 -4.519 6.556) 7.962 6.111 ( 0.000 9.952 -2.499) 10.261 6.111 ( 0.000 9.952 2.499) 10.261 6.148 ( 0.000 11.494 -12.785) 17.192 6.148 ( 0.000 11.494 12.785) 17.192 6.714 ( 0.000 2.544 -2.177) 3.348 6.714 ( 0.000 2.544 2.177) 3.348 6.726 ( -0.000 -6.780 -7.103) 9.819 6.726 ( -0.000 -6.780 7.103) 9.819 7.272 ( 0.000 3.964 -4.632) 6.096 7.272 ( 0.000 3.964 4.632) 6.096 7.384 ( 0.000 17.165 -5.895) 18.149 7.384 ( 0.000 17.165 5.895) 18.149 7.992 ( 0.000 0.566 -9.401) 9.418 7.992 ( 0.000 0.566 9.401) 9.418 8.509 ( -0.000 -11.249 -4.971) 12.299 8.509 ( -0.000 -11.249 4.971) 12.299 9.040 ( -0.000 -4.182 -6.276) 7.542 9.040 ( -0.000 -4.182 6.276) 7.542 9.739 ( -0.000 -1.214 -4.508) 4.669 9.739 ( -0.000 -1.214 4.508) 4.669 10.219 ( -0.000 -2.234 -11.363) 11.581 10.219 ( -0.000 -2.234 11.363) 11.581 10.477 ( -0.000 -2.853 -3.887) 4.821 10.477 ( -0.000 -2.853 3.887) 4.821 11.367 ( -0.000 -5.174 -8.634) 10.066 11.367 ( -0.000 -5.174 8.634) 10.066 13.456 ( -0.000 -3.890 -9.325) 10.104 13.456 ( -0.000 -3.890 9.325) 10.104 13.913 ( 0.000 1.879 -0.729) 2.015 13.913 ( 0.000 1.879 0.729) 2.015 15.410 ( -0.000 -0.306 -14.126) 14.129 15.410 ( -0.000 -0.306 14.126) 14.129 16.019 ( 0.000 1.704 -4.281) 4.608 16.019 ( 0.000 1.704 4.281) 4.608 16.769 ( 0.000 1.563 -11.458) 11.564 16.769 ( 0.000 1.563 11.458) 11.564 16.789 ( 0.000 3.876 -7.139) 8.123 16.789 ( 0.000 3.876 7.139) 8.123 18.934 ( 0.000 4.173 -9.641) 10.505 18.934 ( 0.000 4.173 9.641) 10.505 19.532 ( 0.000 3.313 -2.583) 4.201 19.532 ( 0.000 3.313 2.583) 4.201 24.068 ( -0.000 -19.841 -5.269) 20.528 24.068 ( -0.000 -19.841 5.269) 20.528 26.616 ( 0.000 0.346 -2.044) 2.073 26.616 ( 0.000 0.346 2.044) 2.073 28.410 ( 0.000 1.255 -2.236) 2.564 28.410 ( 0.000 1.255 2.236) 2.564 29.673 ( 0.000 1.397 -0.613) 1.526 29.673 ( 0.000 1.397 0.613) 1.526 30.481 ( -0.000 -2.348 -3.045) 3.845 30.481 ( -0.000 -2.348 3.045) 3.845 32.416 ( -0.000 -1.751 -3.460) 3.878 32.416 ( -0.000 -1.751 3.460) 3.878 32.941 ( 0.000 6.441 -6.572) 9.202 32.941 ( 0.000 6.441 6.572) 9.202 34.299 ( -0.000 -4.047 -18.836) 19.266 34.299 ( -0.000 -4.047 18.836) 19.266 36.200 ( -0.000 -5.229 -2.078) 5.626 36.200 ( -0.000 -5.229 2.078) 5.626 ======================= Grid point 326 (93/93) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -0.000 -0.000 -18.951) 18.951 2.116 ( -0.000 -0.000 18.951) 18.951 2.647 ( -0.000 -0.000 -8.653) 8.653 2.647 ( -0.000 -0.000 8.653) 8.653 3.281 ( -0.000 -0.000 -10.459) 10.459 3.281 ( 0.000 0.000 10.459) 10.459 3.900 ( -0.000 -0.000 -5.224) 5.224 3.900 ( -0.000 -0.000 5.224) 5.224 3.964 ( -0.000 -0.000 -15.255) 15.255 3.964 ( -0.000 -0.000 15.255) 15.255 4.256 ( -0.000 -0.000 -11.616) 11.616 4.256 ( -0.000 -0.000 11.616) 11.616 5.021 ( -0.000 -0.000 -10.364) 10.364 5.021 ( -0.000 -0.000 10.364) 10.364 5.168 ( -0.000 -0.000 -18.211) 18.211 5.168 ( -0.000 -0.000 18.211) 18.211 5.433 ( -0.000 -0.000 -0.387) 0.387 5.433 ( -0.000 -0.000 0.387) 0.387 6.232 ( -0.000 -0.000 -2.425) 2.425 6.232 ( -0.000 -0.000 2.425) 2.425 6.456 ( -0.000 -0.000 -4.810) 4.810 6.456 ( 0.000 0.000 4.810) 4.810 6.493 ( -0.000 -0.000 -17.344) 17.344 6.493 ( -0.000 -0.000 17.344) 17.344 6.745 ( -0.000 -0.000 -3.248) 3.248 6.745 ( -0.000 -0.000 3.248) 3.248 7.319 ( -0.000 -0.000 -3.234) 3.234 7.319 ( -0.000 -0.000 3.234) 3.234 7.700 ( 0.000 0.000 -0.568) 0.568 7.700 ( -0.000 -0.000 0.568) 0.568 7.912 ( -0.000 -0.000 -6.132) 6.132 7.912 ( -0.000 -0.000 6.132) 6.132 8.376 ( -0.000 -0.000 -11.658) 11.658 8.376 ( -0.000 -0.000 11.658) 11.658 8.988 ( -0.000 -0.000 -4.528) 4.528 8.988 ( -0.000 -0.000 4.528) 4.528 9.725 ( -0.000 -0.000 -0.548) 0.548 9.725 ( -0.000 -0.000 0.548) 0.548 10.195 ( -0.000 -0.000 -11.592) 11.592 10.195 ( -0.000 -0.000 11.592) 11.592 10.440 ( -0.000 -0.000 -3.714) 3.714 10.440 ( -0.000 -0.000 3.714) 3.714 11.303 ( -0.000 -0.000 -8.306) 8.306 11.303 ( -0.000 -0.000 8.306) 8.306 13.408 ( -0.000 -0.000 -9.759) 9.759 13.408 ( -0.000 -0.000 9.759) 9.759 13.935 ( -0.000 -0.000 -0.739) 0.739 13.935 ( -0.000 -0.000 0.739) 0.739 15.406 ( -0.000 -0.000 -14.427) 14.427 15.406 ( -0.000 -0.000 14.427) 14.427 16.042 ( -0.000 -0.000 -5.418) 5.418 16.042 ( -0.000 -0.000 5.418) 5.418 16.788 ( -0.000 -0.000 -11.690) 11.690 16.788 ( -0.000 -0.000 11.690) 11.690 16.830 ( -0.000 -0.000 -5.067) 5.067 16.830 ( -0.000 -0.000 5.067) 5.067 18.984 ( -0.000 -0.000 -9.921) 9.921 18.984 ( -0.000 -0.000 9.921) 9.921 19.592 ( -0.000 -0.000 -3.230) 3.230 19.592 ( -0.000 -0.000 3.230) 3.230 23.811 ( -0.000 -0.000 -4.267) 4.267 23.811 ( -0.000 -0.000 4.267) 4.267 26.620 ( -0.000 -0.000 -2.108) 2.108 26.620 ( -0.000 -0.000 2.108) 2.108 28.425 ( -0.000 -0.000 -2.385) 2.385 28.425 ( -0.000 -0.000 2.385) 2.385 29.690 ( -0.000 -0.000 -0.087) 0.087 29.690 ( -0.000 -0.000 0.087) 0.087 30.453 ( -0.000 -0.000 -2.544) 2.544 30.453 ( -0.000 -0.000 2.544) 2.544 32.394 ( -0.000 -0.000 -3.147) 3.147 32.394 ( -0.000 -0.000 3.147) 3.147 33.023 ( -0.000 -0.000 -5.098) 5.098 33.023 ( -0.000 -0.000 5.098) 5.098 34.239 ( -0.000 -0.000 -21.622) 21.622 34.239 ( -0.000 -0.000 21.622) 21.622 36.145 ( -0.000 -0.000 -4.600) 4.600 36.145 ( -0.000 -0.000 4.600) 4.600 =================== 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 3/31200 10.0 1930.219 1310.032 566.524 0.000 0.000 -0.000 3/31200 20.0 590.235 317.570 322.996 0.000 0.000 -0.000 3/31200 30.0 259.039 131.256 149.985 0.000 0.000 -0.000 3/31200 40.0 138.862 69.533 81.683 0.000 0.000 -0.000 3/31200 50.0 86.826 43.454 51.855 0.000 0.000 -0.000 3/31200 60.0 60.528 30.418 36.627 0.000 0.000 -0.000 3/31200 70.0 45.496 23.021 27.840 0.000 0.000 -0.000 3/31200 80.0 36.070 18.401 22.283 0.000 0.000 -0.000 3/31200 90.0 29.730 15.296 18.516 0.000 0.000 -0.000 3/31200 100.0 25.227 13.086 15.823 0.000 0.000 -0.000 3/31200 110.0 21.890 11.443 13.814 0.000 0.000 -0.000 3/31200 120.0 19.331 10.176 12.264 0.000 0.000 -0.000 3/31200 130.0 17.313 9.170 11.035 0.000 0.000 -0.000 3/31200 140.0 15.685 8.354 10.038 0.000 0.000 -0.000 3/31200 150.0 14.345 7.678 9.213 0.000 0.000 -0.000 3/31200 160.0 13.226 7.109 8.521 0.000 0.000 -0.000 3/31200 170.0 12.278 6.624 7.930 0.000 0.000 -0.000 3/31200 180.0 11.465 6.206 7.421 0.000 0.000 -0.000 3/31200 190.0 10.761 5.841 6.978 0.000 0.000 -0.000 3/31200 200.0 10.145 5.521 6.589 0.000 0.000 -0.000 3/31200 210.0 9.603 5.238 6.244 0.000 0.000 -0.000 3/31200 220.0 9.122 4.985 5.936 0.000 0.000 -0.000 3/31200 230.0 8.693 4.758 5.660 0.000 0.000 -0.000 3/31200 240.0 8.307 4.554 5.410 0.000 0.000 -0.000 3/31200 250.0 7.958 4.369 5.184 0.000 0.000 -0.000 3/31200 260.0 7.642 4.200 4.978 0.000 0.000 -0.000 3/31200 270.0 7.353 4.046 4.789 0.000 0.000 -0.000 3/31200 280.0 7.088 3.904 4.615 0.000 0.000 -0.000 3/31200 290.0 6.845 3.774 4.454 0.000 0.000 -0.000 3/31200 300.0 6.620 3.653 4.306 0.000 0.000 -0.000 3/31200 310.0 6.412 3.541 4.168 0.000 0.000 -0.000 3/31200 320.0 6.218 3.437 4.039 0.000 0.000 -0.000 3/31200 330.0 6.038 3.339 3.919 0.000 0.000 -0.000 3/31200 340.0 5.869 3.248 3.807 0.000 0.000 -0.000 3/31200 350.0 5.711 3.162 3.701 0.000 0.000 -0.000 3/31200 360.0 5.562 3.082 3.602 0.000 0.000 -0.000 3/31200 370.0 5.421 3.006 3.508 0.000 0.000 -0.000 3/31200 380.0 5.289 2.934 3.420 0.000 0.000 -0.000 3/31200 390.0 5.163 2.866 3.336 0.000 0.000 -0.000 3/31200 400.0 5.044 2.801 3.256 0.000 0.000 -0.000 3/31200 410.0 4.931 2.740 3.181 0.000 0.000 -0.000 3/31200 420.0 4.824 2.682 3.109 0.000 0.000 -0.000 3/31200 430.0 4.721 2.626 3.041 0.000 0.000 -0.000 3/31200 440.0 4.623 2.573 2.975 0.000 0.000 -0.000 3/31200 450.0 4.530 2.522 2.913 0.000 0.000 -0.000 3/31200 460.0 4.440 2.473 2.853 0.000 0.000 -0.000 3/31200 470.0 4.354 2.426 2.796 0.000 0.000 -0.000 3/31200 480.0 4.272 2.381 2.741 0.000 0.000 -0.000 3/31200 490.0 4.193 2.338 2.689 0.000 0.000 -0.000 3/31200 500.0 4.116 2.297 2.638 0.000 0.000 -0.000 3/31200 510.0 4.043 2.257 2.590 0.000 0.000 -0.000 3/31200 520.0 3.973 2.218 2.543 0.000 0.000 -0.000 3/31200 530.0 3.905 2.181 2.498 0.000 0.000 -0.000 3/31200 540.0 3.839 2.145 2.454 0.000 0.000 -0.000 3/31200 550.0 3.775 2.110 2.412 0.000 0.000 -0.000 3/31200 560.0 3.714 2.077 2.372 0.000 0.000 -0.000 3/31200 570.0 3.655 2.044 2.333 0.000 0.000 -0.000 3/31200 580.0 3.598 2.013 2.295 0.000 0.000 -0.000 3/31200 590.0 3.542 1.983 2.259 0.000 0.000 -0.000 3/31200 600.0 3.488 1.953 2.223 0.000 0.000 -0.000 3/31200 610.0 3.436 1.924 2.189 0.000 0.000 -0.000 3/31200 620.0 3.385 1.897 2.156 0.000 0.000 -0.000 3/31200 630.0 3.336 1.869 2.123 0.000 0.000 -0.000 3/31200 640.0 3.288 1.843 2.092 0.000 0.000 -0.000 3/31200 650.0 3.242 1.818 2.062 0.000 0.000 -0.000 3/31200 660.0 3.197 1.793 2.032 0.000 0.000 -0.000 3/31200 670.0 3.153 1.769 2.004 0.000 0.000 -0.000 3/31200 680.0 3.110 1.745 1.976 0.000 0.000 -0.000 3/31200 690.0 3.069 1.722 1.949 0.000 0.000 -0.000 3/31200 700.0 3.028 1.700 1.922 0.000 0.000 -0.000 3/31200 710.0 2.989 1.678 1.897 0.000 0.000 -0.000 3/31200 720.0 2.951 1.657 1.872 0.000 0.000 -0.000 3/31200 730.0 2.913 1.637 1.848 0.000 0.000 -0.000 3/31200 740.0 2.877 1.616 1.824 0.000 0.000 -0.000 3/31200 750.0 2.841 1.597 1.801 0.000 0.000 -0.000 3/31200 760.0 2.807 1.578 1.778 0.000 0.000 -0.000 3/31200 770.0 2.773 1.559 1.756 0.000 0.000 -0.000 3/31200 780.0 2.740 1.540 1.735 0.000 0.000 -0.000 3/31200 790.0 2.707 1.523 1.714 0.000 0.000 -0.000 3/31200 800.0 2.676 1.505 1.694 0.000 0.000 -0.000 3/31200 810.0 2.645 1.488 1.674 0.000 0.000 -0.000 3/31200 820.0 2.615 1.471 1.654 0.000 0.000 -0.000 3/31200 830.0 2.585 1.455 1.635 0.000 0.000 -0.000 3/31200 840.0 2.557 1.439 1.617 0.000 0.000 -0.000 3/31200 850.0 2.528 1.423 1.598 0.000 0.000 -0.000 3/31200 860.0 2.501 1.408 1.581 0.000 0.000 -0.000 3/31200 870.0 2.474 1.393 1.563 0.000 0.000 -0.000 3/31200 880.0 2.447 1.378 1.546 0.000 0.000 -0.000 3/31200 890.0 2.422 1.364 1.530 0.000 0.000 -0.000 3/31200 900.0 2.396 1.350 1.513 0.000 0.000 -0.000 3/31200 910.0 2.371 1.336 1.497 0.000 0.000 -0.000 3/31200 920.0 2.347 1.323 1.482 0.000 0.000 -0.000 3/31200 930.0 2.323 1.309 1.466 0.000 0.000 -0.000 3/31200 940.0 2.300 1.296 1.451 0.000 0.000 -0.000 3/31200 950.0 2.277 1.283 1.437 0.000 0.000 -0.000 3/31200 960.0 2.255 1.271 1.422 0.000 0.000 -0.000 3/31200 970.0 2.232 1.259 1.408 0.000 0.000 -0.000 3/31200 980.0 2.211 1.247 1.394 0.000 0.000 -0.000 3/31200 990.0 2.190 1.235 1.381 0.000 0.000 -0.000 3/31200 1000.0 2.169 1.223 1.368 0.000 0.000 -0.000 3/31200 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:17:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|