----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:29:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.990158449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.348216850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.564995930000002 Atomic positions (fractional): *1 B 0.80612134317032 0.66926366157678 0.37298049105672 10.811 2 B 0.19387865682968 0.66926366157678 0.12701950894328 10.811 3 B 0.69387865682968 0.83073633842322 0.87298049105672 10.811 4 B 0.30612134317032 0.83073633842322 0.62701950894328 10.811 5 B 0.30612134317032 0.16926366157678 0.12701950894328 10.811 6 B 0.69387865682968 0.16926366157678 0.37298049105672 10.811 7 B 0.19387865682968 0.33073633842321 0.62701950894328 10.811 8 B 0.80612134317032 0.33073633842321 0.87298049105672 10.811 *9 O 0.08970376240413 0.23593322484125 0.59427455163332 15.999 10 O 0.58970376240413 0.73593322484125 0.90572544836668 15.999 11 O 0.08970376240413 0.76406677515875 0.09427455163332 15.999 12 O 0.41029623759587 0.73593322484125 0.59427455163332 15.999 *13 O 0.71066392779103 0.84950365025395 0.35145602302676 15.999 14 O 0.28933607220897 0.84950365025395 0.14854397697324 15.999 15 O 0.78933607220897 0.65049634974605 0.85145602302676 15.999 16 O 0.21066392779103 0.65049634974605 0.64854397697324 15.999 17 O 0.28933607220897 0.15049634974605 0.64854397697324 15.999 18 O 0.71066392779103 0.15049634974605 0.85145602302676 15.999 19 O 0.21066392779103 0.34950365025395 0.14854397697324 15.999 20 O 0.78933607220897 0.34950365025395 0.35145602302676 15.999 21 O 0.41029623759587 0.26406677515875 0.09427455163332 15.999 22 O 0.58970376240413 0.26406677515875 0.40572544836668 15.999 23 O 0.91029623759587 0.76406677515875 0.40572544836668 15.999 24 O 0.91029623759587 0.23593322484125 0.90572544836668 15.999 *25 Sr 0.00000000000000 0.23735961986229 0.25000000000000 87.620 26 Sr 0.50000000000000 0.26264038013771 0.75000000000000 87.620 27 Sr 0.00000000000000 0.76264038013771 0.75000000000000 87.620 28 Sr 0.50000000000000 0.73735961986229 0.25000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.990158449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.348216850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.564995930000002 Atomic positions (fractional): *1 B 0.80612134317032 0.66926366157678 0.37298049105672 10.811 > 1 2 B 0.19387865682968 0.66926366157678 0.12701950894328 10.811 > 2 3 B 0.69387865682968 0.83073633842322 0.87298049105672 10.811 > 3 4 B 0.30612134317032 0.83073633842322 0.62701950894328 10.811 > 4 5 B 0.30612134317032 0.16926366157678 0.12701950894328 10.811 > 5 6 B 0.69387865682968 0.16926366157678 0.37298049105672 10.811 > 6 7 B 0.19387865682968 0.33073633842321 0.62701950894328 10.811 > 7 8 B 0.80612134317032 0.33073633842321 0.87298049105672 10.811 > 8 *9 O 0.08970376240413 0.23593322484125 0.59427455163332 15.999 > 9 10 O 0.58970376240413 0.73593322484125 0.90572544836668 15.999 > 10 11 O 0.08970376240413 0.76406677515875 0.09427455163332 15.999 > 11 12 O 0.41029623759587 0.73593322484125 0.59427455163332 15.999 > 12 *13 O 0.71066392779103 0.84950365025395 0.35145602302676 15.999 > 13 14 O 0.28933607220897 0.84950365025395 0.14854397697324 15.999 > 14 15 O 0.78933607220897 0.65049634974605 0.85145602302676 15.999 > 15 16 O 0.21066392779103 0.65049634974605 0.64854397697324 15.999 > 16 17 O 0.28933607220897 0.15049634974605 0.64854397697324 15.999 > 17 18 O 0.71066392779103 0.15049634974605 0.85145602302676 15.999 > 18 19 O 0.21066392779103 0.34950365025395 0.14854397697324 15.999 > 19 20 O 0.78933607220897 0.34950365025395 0.35145602302676 15.999 > 20 21 O 0.41029623759587 0.26406677515875 0.09427455163332 15.999 > 21 22 O 0.58970376240413 0.26406677515875 0.40572544836668 15.999 > 22 23 O 0.91029623759587 0.76406677515875 0.40572544836668 15.999 > 23 24 O 0.91029623759587 0.23593322484125 0.90572544836668 15.999 > 24 *25 Sr 0.00000000000000 0.23735961986229 0.25000000000000 87.620 > 25 26 Sr 0.50000000000000 0.26264038013771 0.75000000000000 87.620 > 26 27 Sr 0.00000000000000 0.76264038013771 0.75000000000000 87.620 > 27 28 Sr 0.50000000000000 0.73735961986229 0.25000000000000 87.620 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.990158449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.696433700000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.129991860000004 Atomic positions (fractional): *1 B 0.80612134317032 0.33463183078839 0.18649024552836 10.811 > 1 2 B 0.80612134317032 0.83463183078839 0.18649024552836 10.811 > 1 3 B 0.80612134317032 0.33463183078839 0.68649024552836 10.811 > 1 4 B 0.80612134317032 0.83463183078839 0.68649024552836 10.811 > 1 5 B 0.19387865682968 0.33463183078839 0.06350975447164 10.811 > 2 6 B 0.19387865682968 0.83463183078839 0.06350975447164 10.811 > 2 7 B 0.19387865682968 0.33463183078839 0.56350975447164 10.811 > 2 8 B 0.19387865682968 0.83463183078839 0.56350975447164 10.811 > 2 9 B 0.69387865682968 0.41536816921161 0.43649024552836 10.811 > 3 10 B 0.69387865682968 0.91536816921161 0.43649024552836 10.811 > 3 11 B 0.69387865682968 0.41536816921161 0.93649024552836 10.811 > 3 12 B 0.69387865682968 0.91536816921161 0.93649024552836 10.811 > 3 13 B 0.30612134317032 0.41536816921161 0.31350975447164 10.811 > 4 14 B 0.30612134317032 0.91536816921161 0.31350975447164 10.811 > 4 15 B 0.30612134317032 0.41536816921161 0.81350975447164 10.811 > 4 16 B 0.30612134317032 0.91536816921161 0.81350975447164 10.811 > 4 17 B 0.30612134317032 0.08463183078839 0.06350975447164 10.811 > 5 18 B 0.30612134317032 0.58463183078839 0.06350975447164 10.811 > 5 19 B 0.30612134317032 0.08463183078839 0.56350975447164 10.811 > 5 20 B 0.30612134317032 0.58463183078839 0.56350975447164 10.811 > 5 21 B 0.69387865682968 0.08463183078839 0.18649024552836 10.811 > 6 22 B 0.69387865682968 0.58463183078839 0.18649024552836 10.811 > 6 23 B 0.69387865682968 0.08463183078839 0.68649024552836 10.811 > 6 24 B 0.69387865682968 0.58463183078839 0.68649024552836 10.811 > 6 25 B 0.19387865682968 0.16536816921161 0.31350975447164 10.811 > 7 26 B 0.19387865682968 0.66536816921161 0.31350975447164 10.811 > 7 27 B 0.19387865682968 0.16536816921161 0.81350975447164 10.811 > 7 28 B 0.19387865682968 0.66536816921161 0.81350975447164 10.811 > 7 29 B 0.80612134317032 0.16536816921161 0.43649024552836 10.811 > 8 30 B 0.80612134317032 0.66536816921161 0.43649024552836 10.811 > 8 31 B 0.80612134317032 0.16536816921161 0.93649024552836 10.811 > 8 32 B 0.80612134317032 0.66536816921161 0.93649024552836 10.811 > 8 *33 O 0.08970376240413 0.11796661242062 0.29713727581666 15.999 > 9 34 O 0.08970376240413 0.61796661242062 0.29713727581666 15.999 > 9 35 O 0.08970376240413 0.11796661242062 0.79713727581666 15.999 > 9 36 O 0.08970376240413 0.61796661242062 0.79713727581666 15.999 > 9 37 O 0.58970376240413 0.36796661242062 0.45286272418334 15.999 > 10 38 O 0.58970376240413 0.86796661242062 0.45286272418334 15.999 > 10 39 O 0.58970376240413 0.36796661242062 0.95286272418334 15.999 > 10 40 O 0.58970376240413 0.86796661242062 0.95286272418334 15.999 > 10 41 O 0.08970376240413 0.38203338757938 0.04713727581666 15.999 > 11 42 O 0.08970376240413 0.88203338757938 0.04713727581666 15.999 > 11 43 O 0.08970376240413 0.38203338757938 0.54713727581666 15.999 > 11 44 O 0.08970376240413 0.88203338757938 0.54713727581666 15.999 > 11 45 O 0.41029623759587 0.36796661242062 0.29713727581666 15.999 > 12 46 O 0.41029623759587 0.86796661242062 0.29713727581666 15.999 > 12 47 O 0.41029623759587 0.36796661242062 0.79713727581666 15.999 > 12 48 O 0.41029623759587 0.86796661242062 0.79713727581666 15.999 > 12 *49 O 0.71066392779103 0.42475182512697 0.17572801151338 15.999 > 13 50 O 0.71066392779103 0.92475182512697 0.17572801151338 15.999 > 13 51 O 0.71066392779103 0.42475182512697 0.67572801151338 15.999 > 13 52 O 0.71066392779103 0.92475182512697 0.67572801151338 15.999 > 13 53 O 0.28933607220897 0.42475182512697 0.07427198848662 15.999 > 14 54 O 0.28933607220897 0.92475182512697 0.07427198848662 15.999 > 14 55 O 0.28933607220897 0.42475182512697 0.57427198848662 15.999 > 14 56 O 0.28933607220897 0.92475182512697 0.57427198848662 15.999 > 14 57 O 0.78933607220897 0.32524817487303 0.42572801151338 15.999 > 15 58 O 0.78933607220897 0.82524817487303 0.42572801151338 15.999 > 15 59 O 0.78933607220897 0.32524817487303 0.92572801151338 15.999 > 15 60 O 0.78933607220897 0.82524817487303 0.92572801151338 15.999 > 15 61 O 0.21066392779103 0.32524817487303 0.32427198848662 15.999 > 16 62 O 0.21066392779103 0.82524817487303 0.32427198848662 15.999 > 16 63 O 0.21066392779103 0.32524817487303 0.82427198848662 15.999 > 16 64 O 0.21066392779103 0.82524817487303 0.82427198848662 15.999 > 16 65 O 0.28933607220897 0.07524817487303 0.32427198848662 15.999 > 17 66 O 0.28933607220897 0.57524817487303 0.32427198848662 15.999 > 17 67 O 0.28933607220897 0.07524817487303 0.82427198848662 15.999 > 17 68 O 0.28933607220897 0.57524817487303 0.82427198848662 15.999 > 17 69 O 0.71066392779103 0.07524817487303 0.42572801151338 15.999 > 18 70 O 0.71066392779103 0.57524817487303 0.42572801151338 15.999 > 18 71 O 0.71066392779103 0.07524817487303 0.92572801151338 15.999 > 18 72 O 0.71066392779103 0.57524817487303 0.92572801151338 15.999 > 18 73 O 0.21066392779103 0.17475182512697 0.07427198848662 15.999 > 19 74 O 0.21066392779103 0.67475182512697 0.07427198848662 15.999 > 19 75 O 0.21066392779103 0.17475182512697 0.57427198848662 15.999 > 19 76 O 0.21066392779103 0.67475182512697 0.57427198848662 15.999 > 19 77 O 0.78933607220897 0.17475182512697 0.17572801151338 15.999 > 20 78 O 0.78933607220897 0.67475182512697 0.17572801151338 15.999 > 20 79 O 0.78933607220897 0.17475182512697 0.67572801151338 15.999 > 20 80 O 0.78933607220897 0.67475182512697 0.67572801151338 15.999 > 20 81 O 0.41029623759587 0.13203338757938 0.04713727581666 15.999 > 21 82 O 0.41029623759587 0.63203338757938 0.04713727581666 15.999 > 21 83 O 0.41029623759587 0.13203338757938 0.54713727581666 15.999 > 21 84 O 0.41029623759587 0.63203338757938 0.54713727581666 15.999 > 21 85 O 0.58970376240413 0.13203338757938 0.20286272418334 15.999 > 22 86 O 0.58970376240413 0.63203338757938 0.20286272418334 15.999 > 22 87 O 0.58970376240413 0.13203338757938 0.70286272418334 15.999 > 22 88 O 0.58970376240413 0.63203338757938 0.70286272418334 15.999 > 22 89 O 0.91029623759587 0.38203338757938 0.20286272418334 15.999 > 23 90 O 0.91029623759587 0.88203338757938 0.20286272418334 15.999 > 23 91 O 0.91029623759587 0.38203338757938 0.70286272418334 15.999 > 23 92 O 0.91029623759587 0.88203338757938 0.70286272418334 15.999 > 23 93 O 0.91029623759587 0.11796661242062 0.45286272418334 15.999 > 24 94 O 0.91029623759587 0.61796661242062 0.45286272418334 15.999 > 24 95 O 0.91029623759587 0.11796661242062 0.95286272418334 15.999 > 24 96 O 0.91029623759587 0.61796661242062 0.95286272418334 15.999 > 24 *97 Sr 0.00000000000000 0.11867980993114 0.12500000000000 87.620 > 25 98 Sr 0.00000000000000 0.61867980993114 0.12500000000000 87.620 > 25 99 Sr 0.00000000000000 0.11867980993114 0.62500000000000 87.620 > 25 100 Sr 0.00000000000000 0.61867980993114 0.62500000000000 87.620 > 25 101 Sr 0.50000000000000 0.13132019006886 0.37500000000000 87.620 > 26 102 Sr 0.50000000000000 0.63132019006886 0.37500000000000 87.620 > 26 103 Sr 0.50000000000000 0.13132019006886 0.87500000000000 87.620 > 26 104 Sr 0.50000000000000 0.63132019006886 0.87500000000000 87.620 > 26 105 Sr 0.00000000000000 0.38132019006886 0.37500000000000 87.620 > 27 106 Sr 0.00000000000000 0.88132019006886 0.37500000000000 87.620 > 27 107 Sr 0.00000000000000 0.38132019006886 0.87500000000000 87.620 > 27 108 Sr 0.00000000000000 0.88132019006886 0.87500000000000 87.620 > 27 109 Sr 0.50000000000000 0.36867980993114 0.12500000000000 87.620 > 28 110 Sr 0.50000000000000 0.86867980993114 0.12500000000000 87.620 > 28 111 Sr 0.50000000000000 0.36867980993114 0.62500000000000 87.620 > 28 112 Sr 0.50000000000000 0.86867980993114 0.62500000000000 87.620 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0196396 0.0000000 0.0000000 0.0000000 2.9235605 0.0000000 0.0000000 0.0000000 2.5009202 -------------------------- Born effective charges -------------------------- 1 B 2.8321868 0.2299734 0.3628546 -0.2591196 2.7827491 0.0992251 0.3279061 0.1053657 0.8066034 2 B 2.8321868 -0.2299734 0.3628546 0.2591196 2.7827491 -0.0992251 0.3279061 -0.1053657 0.8066034 3 B 2.8321868 0.2299734 -0.3628546 -0.2591196 2.7827491 -0.0992251 -0.3279061 -0.1053657 0.8066034 4 B 2.8321868 -0.2299734 -0.3628546 0.2591196 2.7827491 0.0992251 -0.3279061 0.1053657 0.8066034 5 B 2.8321868 0.2299734 -0.3628546 -0.2591196 2.7827491 -0.0992251 -0.3279061 -0.1053657 0.8066034 6 B 2.8321868 -0.2299734 -0.3628546 0.2591196 2.7827491 0.0992251 -0.3279061 0.1053657 0.8066034 7 B 2.8321868 0.2299734 0.3628546 -0.2591196 2.7827491 0.0992251 0.3279061 0.1053657 0.8066034 8 B 2.8321868 -0.2299734 0.3628546 0.2591196 2.7827491 -0.0992251 0.3279061 -0.1053657 0.8066034 9 O -2.2849311 -0.3557079 -0.2471427 -0.2400768 -1.5916392 -0.0010792 -0.1775376 -0.0135712 -1.3474192 10 O -2.2849311 -0.3557079 0.2471427 -0.2400768 -1.5916392 0.0010792 0.1775376 0.0135712 -1.3474192 11 O -2.2849311 0.3557079 -0.2471427 0.2400768 -1.5916392 0.0010792 -0.1775376 0.0135712 -1.3474192 12 O -2.2849311 0.3557079 0.2471427 0.2400768 -1.5916392 -0.0010792 0.1775376 -0.0135712 -1.3474192 13 O -1.8697383 0.7185989 -0.1133935 0.7456158 -2.4102339 -0.0868700 -0.1329536 -0.0689702 -0.6896729 14 O -1.8697383 -0.7185989 -0.1133935 -0.7456158 -2.4102339 0.0868700 -0.1329536 0.0689702 -0.6896729 15 O -1.8697383 0.7185989 0.1133935 0.7456158 -2.4102339 0.0868700 0.1329536 0.0689702 -0.6896729 16 O -1.8697383 -0.7185989 0.1133935 -0.7456158 -2.4102339 -0.0868700 0.1329536 -0.0689702 -0.6896729 17 O -1.8697383 0.7185989 -0.1133935 0.7456158 -2.4102339 -0.0868700 -0.1329536 -0.0689702 -0.6896729 18 O -1.8697383 -0.7185989 -0.1133935 -0.7456158 -2.4102339 0.0868700 -0.1329536 0.0689702 -0.6896729 19 O -1.8697383 0.7185989 0.1133935 0.7456158 -2.4102339 0.0868700 0.1329536 0.0689702 -0.6896729 20 O -1.8697383 -0.7185989 0.1133935 -0.7456158 -2.4102339 -0.0868700 0.1329536 -0.0689702 -0.6896729 21 O -2.2849311 -0.3557079 0.2471427 -0.2400768 -1.5916392 0.0010792 0.1775376 0.0135712 -1.3474192 22 O -2.2849311 0.3557079 0.2471427 0.2400768 -1.5916392 -0.0010792 0.1775376 -0.0135712 -1.3474192 23 O -2.2849311 -0.3557079 -0.2471427 -0.2400768 -1.5916392 -0.0010792 -0.1775376 -0.0135712 -1.3474192 24 O -2.2849311 0.3557079 -0.2471427 0.2400768 -1.5916392 0.0010792 -0.1775376 0.0135712 -1.3474192 25 Sr 2.6449651 0.0000000 0.0074127 0.0000000 2.4382479 0.0000000 -0.1091284 0.0000000 2.4609773 26 Sr 2.6449651 0.0000000 -0.0074127 0.0000000 2.4382479 0.0000000 0.1091284 0.0000000 2.4609773 27 Sr 2.6449651 0.0000000 0.0074127 0.0000000 2.4382479 0.0000000 -0.1091284 0.0000000 2.4609773 28 Sr 2.6449651 0.0000000 -0.0074127 0.0000000 2.4382479 0.0000000 0.1091284 0.0000000 2.4609773 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1850 Number of blocks in projector: 1850 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1850, 1818), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 388), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.038 Solver_block: 200 / 480 - Time: 2.974 Solver_block: 300 / 480 - Time: 2.959 Solver_block: 400 / 480 - Time: 2.968 Solver_block: 480 / 480 - Time: 2.398 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.384 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1850 Number of blocks in projector: 1850 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1850, 1818), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 388), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:30:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:30:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.990158449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.348216850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.564995930000002 Atomic positions (fractional): 1 B 0.80612134317032 0.66926366157678 0.37298049105672 10.811 2 B 0.19387865682968 0.66926366157678 0.12701950894328 10.811 3 B 0.69387865682968 0.83073633842322 0.87298049105672 10.811 4 B 0.30612134317032 0.83073633842322 0.62701950894328 10.811 5 B 0.30612134317032 0.16926366157678 0.12701950894328 10.811 6 B 0.69387865682968 0.16926366157678 0.37298049105672 10.811 7 B 0.19387865682968 0.33073633842321 0.62701950894328 10.811 8 B 0.80612134317032 0.33073633842321 0.87298049105672 10.811 9 O 0.08970376240413 0.23593322484125 0.59427455163332 15.999 10 O 0.58970376240413 0.73593322484125 0.90572544836668 15.999 11 O 0.08970376240413 0.76406677515875 0.09427455163332 15.999 12 O 0.41029623759587 0.73593322484125 0.59427455163332 15.999 13 O 0.71066392779103 0.84950365025395 0.35145602302676 15.999 14 O 0.28933607220897 0.84950365025395 0.14854397697324 15.999 15 O 0.78933607220897 0.65049634974605 0.85145602302676 15.999 16 O 0.21066392779103 0.65049634974605 0.64854397697324 15.999 17 O 0.28933607220897 0.15049634974605 0.64854397697324 15.999 18 O 0.71066392779103 0.15049634974605 0.85145602302676 15.999 19 O 0.21066392779103 0.34950365025395 0.14854397697324 15.999 20 O 0.78933607220897 0.34950365025395 0.35145602302676 15.999 21 O 0.41029623759587 0.26406677515875 0.09427455163332 15.999 22 O 0.58970376240413 0.26406677515875 0.40572544836668 15.999 23 O 0.91029623759587 0.76406677515875 0.40572544836668 15.999 24 O 0.91029623759587 0.23593322484125 0.90572544836668 15.999 25 Sr 0.00000000000000 0.23735961986229 0.25000000000000 87.620 26 Sr 0.50000000000000 0.26264038013771 0.75000000000000 87.620 27 Sr 0.00000000000000 0.76264038013771 0.75000000000000 87.620 28 Sr 0.50000000000000 0.73735961986229 0.25000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.990158449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.696433700000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.129991860000004 Atomic positions (fractional): 1 B 0.80612134317032 0.33463183078839 0.18649024552836 10.811 > 1 2 B 0.80612134317032 0.83463183078839 0.18649024552836 10.811 > 1 3 B 0.80612134317032 0.33463183078839 0.68649024552836 10.811 > 1 4 B 0.80612134317032 0.83463183078839 0.68649024552836 10.811 > 1 5 B 0.19387865682968 0.33463183078839 0.06350975447164 10.811 > 5 6 B 0.19387865682968 0.83463183078839 0.06350975447164 10.811 > 5 7 B 0.19387865682968 0.33463183078839 0.56350975447164 10.811 > 5 8 B 0.19387865682968 0.83463183078839 0.56350975447164 10.811 > 5 9 B 0.69387865682968 0.41536816921161 0.43649024552836 10.811 > 9 10 B 0.69387865682968 0.91536816921161 0.43649024552836 10.811 > 9 11 B 0.69387865682968 0.41536816921161 0.93649024552836 10.811 > 9 12 B 0.69387865682968 0.91536816921161 0.93649024552836 10.811 > 9 13 B 0.30612134317032 0.41536816921161 0.31350975447164 10.811 > 13 14 B 0.30612134317032 0.91536816921161 0.31350975447164 10.811 > 13 15 B 0.30612134317032 0.41536816921161 0.81350975447164 10.811 > 13 16 B 0.30612134317032 0.91536816921161 0.81350975447164 10.811 > 13 17 B 0.30612134317032 0.08463183078839 0.06350975447164 10.811 > 17 18 B 0.30612134317032 0.58463183078839 0.06350975447164 10.811 > 17 19 B 0.30612134317032 0.08463183078839 0.56350975447164 10.811 > 17 20 B 0.30612134317032 0.58463183078839 0.56350975447164 10.811 > 17 21 B 0.69387865682968 0.08463183078839 0.18649024552836 10.811 > 21 22 B 0.69387865682968 0.58463183078839 0.18649024552836 10.811 > 21 23 B 0.69387865682968 0.08463183078839 0.68649024552836 10.811 > 21 24 B 0.69387865682968 0.58463183078839 0.68649024552836 10.811 > 21 25 B 0.19387865682968 0.16536816921161 0.31350975447164 10.811 > 25 26 B 0.19387865682968 0.66536816921161 0.31350975447164 10.811 > 25 27 B 0.19387865682968 0.16536816921161 0.81350975447164 10.811 > 25 28 B 0.19387865682968 0.66536816921161 0.81350975447164 10.811 > 25 29 B 0.80612134317032 0.16536816921161 0.43649024552836 10.811 > 29 30 B 0.80612134317032 0.66536816921161 0.43649024552836 10.811 > 29 31 B 0.80612134317032 0.16536816921161 0.93649024552836 10.811 > 29 32 B 0.80612134317032 0.66536816921161 0.93649024552836 10.811 > 29 33 O 0.08970376240413 0.11796661242062 0.29713727581666 15.999 > 33 34 O 0.08970376240413 0.61796661242062 0.29713727581666 15.999 > 33 35 O 0.08970376240413 0.11796661242062 0.79713727581666 15.999 > 33 36 O 0.08970376240413 0.61796661242062 0.79713727581666 15.999 > 33 37 O 0.58970376240413 0.36796661242062 0.45286272418334 15.999 > 37 38 O 0.58970376240413 0.86796661242062 0.45286272418334 15.999 > 37 39 O 0.58970376240413 0.36796661242062 0.95286272418334 15.999 > 37 40 O 0.58970376240413 0.86796661242062 0.95286272418334 15.999 > 37 41 O 0.08970376240413 0.38203338757938 0.04713727581666 15.999 > 41 42 O 0.08970376240413 0.88203338757938 0.04713727581666 15.999 > 41 43 O 0.08970376240413 0.38203338757938 0.54713727581666 15.999 > 41 44 O 0.08970376240413 0.88203338757938 0.54713727581666 15.999 > 41 45 O 0.41029623759587 0.36796661242062 0.29713727581666 15.999 > 45 46 O 0.41029623759587 0.86796661242062 0.29713727581666 15.999 > 45 47 O 0.41029623759587 0.36796661242062 0.79713727581666 15.999 > 45 48 O 0.41029623759587 0.86796661242062 0.79713727581666 15.999 > 45 49 O 0.71066392779103 0.42475182512697 0.17572801151338 15.999 > 49 50 O 0.71066392779103 0.92475182512697 0.17572801151338 15.999 > 49 51 O 0.71066392779103 0.42475182512697 0.67572801151338 15.999 > 49 52 O 0.71066392779103 0.92475182512697 0.67572801151338 15.999 > 49 53 O 0.28933607220897 0.42475182512697 0.07427198848662 15.999 > 53 54 O 0.28933607220897 0.92475182512697 0.07427198848662 15.999 > 53 55 O 0.28933607220897 0.42475182512697 0.57427198848662 15.999 > 53 56 O 0.28933607220897 0.92475182512697 0.57427198848662 15.999 > 53 57 O 0.78933607220897 0.32524817487303 0.42572801151338 15.999 > 57 58 O 0.78933607220897 0.82524817487303 0.42572801151338 15.999 > 57 59 O 0.78933607220897 0.32524817487303 0.92572801151338 15.999 > 57 60 O 0.78933607220897 0.82524817487303 0.92572801151338 15.999 > 57 61 O 0.21066392779103 0.32524817487303 0.32427198848662 15.999 > 61 62 O 0.21066392779103 0.82524817487303 0.32427198848662 15.999 > 61 63 O 0.21066392779103 0.32524817487303 0.82427198848662 15.999 > 61 64 O 0.21066392779103 0.82524817487303 0.82427198848662 15.999 > 61 65 O 0.28933607220897 0.07524817487303 0.32427198848662 15.999 > 65 66 O 0.28933607220897 0.57524817487303 0.32427198848662 15.999 > 65 67 O 0.28933607220897 0.07524817487303 0.82427198848662 15.999 > 65 68 O 0.28933607220897 0.57524817487303 0.82427198848662 15.999 > 65 69 O 0.71066392779103 0.07524817487303 0.42572801151338 15.999 > 69 70 O 0.71066392779103 0.57524817487303 0.42572801151338 15.999 > 69 71 O 0.71066392779103 0.07524817487303 0.92572801151338 15.999 > 69 72 O 0.71066392779103 0.57524817487303 0.92572801151338 15.999 > 69 73 O 0.21066392779103 0.17475182512697 0.07427198848662 15.999 > 73 74 O 0.21066392779103 0.67475182512697 0.07427198848662 15.999 > 73 75 O 0.21066392779103 0.17475182512697 0.57427198848662 15.999 > 73 76 O 0.21066392779103 0.67475182512697 0.57427198848662 15.999 > 73 77 O 0.78933607220897 0.17475182512697 0.17572801151338 15.999 > 77 78 O 0.78933607220897 0.67475182512697 0.17572801151338 15.999 > 77 79 O 0.78933607220897 0.17475182512697 0.67572801151338 15.999 > 77 80 O 0.78933607220897 0.67475182512697 0.67572801151338 15.999 > 77 81 O 0.41029623759587 0.13203338757938 0.04713727581666 15.999 > 81 82 O 0.41029623759587 0.63203338757938 0.04713727581666 15.999 > 81 83 O 0.41029623759587 0.13203338757938 0.54713727581666 15.999 > 81 84 O 0.41029623759587 0.63203338757938 0.54713727581666 15.999 > 81 85 O 0.58970376240413 0.13203338757938 0.20286272418334 15.999 > 85 86 O 0.58970376240413 0.63203338757938 0.20286272418334 15.999 > 85 87 O 0.58970376240413 0.13203338757938 0.70286272418334 15.999 > 85 88 O 0.58970376240413 0.63203338757938 0.70286272418334 15.999 > 85 89 O 0.91029623759587 0.38203338757938 0.20286272418334 15.999 > 89 90 O 0.91029623759587 0.88203338757938 0.20286272418334 15.999 > 89 91 O 0.91029623759587 0.38203338757938 0.70286272418334 15.999 > 89 92 O 0.91029623759587 0.88203338757938 0.70286272418334 15.999 > 89 93 O 0.91029623759587 0.11796661242062 0.45286272418334 15.999 > 93 94 O 0.91029623759587 0.61796661242062 0.45286272418334 15.999 > 93 95 O 0.91029623759587 0.11796661242062 0.95286272418334 15.999 > 93 96 O 0.91029623759587 0.61796661242062 0.95286272418334 15.999 > 93 97 Sr 0.00000000000000 0.11867980993114 0.12500000000000 87.620 > 97 98 Sr 0.00000000000000 0.61867980993114 0.12500000000000 87.620 > 97 99 Sr 0.00000000000000 0.11867980993114 0.62500000000000 87.620 > 97 100 Sr 0.00000000000000 0.61867980993114 0.62500000000000 87.620 > 97 101 Sr 0.50000000000000 0.13132019006886 0.37500000000000 87.620 > 101 102 Sr 0.50000000000000 0.63132019006886 0.37500000000000 87.620 > 101 103 Sr 0.50000000000000 0.13132019006886 0.87500000000000 87.620 > 101 104 Sr 0.50000000000000 0.63132019006886 0.87500000000000 87.620 > 101 105 Sr 0.00000000000000 0.38132019006886 0.37500000000000 87.620 > 105 106 Sr 0.00000000000000 0.88132019006886 0.37500000000000 87.620 > 105 107 Sr 0.00000000000000 0.38132019006886 0.87500000000000 87.620 > 105 108 Sr 0.00000000000000 0.88132019006886 0.87500000000000 87.620 > 105 109 Sr 0.50000000000000 0.36867980993114 0.12500000000000 87.620 > 109 110 Sr 0.50000000000000 0.86867980993114 0.12500000000000 87.620 > 109 111 Sr 0.50000000000000 0.36867980993114 0.62500000000000 87.620 > 109 112 Sr 0.50000000000000 0.86867980993114 0.62500000000000 87.620 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0196396 0.0000000 0.0000000 0.0000000 2.9235605 0.0000000 0.0000000 0.0000000 2.5009202 -------------------------- Born effective charges -------------------------- 1 B 2.8321868 0.2299734 0.3628546 -0.2591196 2.7827491 0.0992251 0.3279061 0.1053657 0.8066034 2 B 2.8321868 -0.2299734 0.3628546 0.2591196 2.7827491 -0.0992251 0.3279061 -0.1053657 0.8066034 3 B 2.8321868 0.2299734 -0.3628546 -0.2591196 2.7827491 -0.0992251 -0.3279061 -0.1053657 0.8066034 4 B 2.8321868 -0.2299734 -0.3628546 0.2591196 2.7827491 0.0992251 -0.3279061 0.1053657 0.8066034 5 B 2.8321868 0.2299734 -0.3628546 -0.2591196 2.7827491 -0.0992251 -0.3279061 -0.1053657 0.8066034 6 B 2.8321868 -0.2299734 -0.3628546 0.2591196 2.7827491 0.0992251 -0.3279061 0.1053657 0.8066034 7 B 2.8321868 0.2299734 0.3628546 -0.2591196 2.7827491 0.0992251 0.3279061 0.1053657 0.8066034 8 B 2.8321868 -0.2299734 0.3628546 0.2591196 2.7827491 -0.0992251 0.3279061 -0.1053657 0.8066034 9 O -2.2849311 -0.3557079 -0.2471427 -0.2400768 -1.5916392 -0.0010792 -0.1775376 -0.0135712 -1.3474192 10 O -2.2849311 -0.3557079 0.2471427 -0.2400768 -1.5916392 0.0010792 0.1775376 0.0135712 -1.3474192 11 O -2.2849311 0.3557079 -0.2471427 0.2400768 -1.5916392 0.0010792 -0.1775376 0.0135712 -1.3474192 12 O -2.2849311 0.3557079 0.2471427 0.2400768 -1.5916392 -0.0010792 0.1775376 -0.0135712 -1.3474192 13 O -1.8697383 0.7185989 -0.1133935 0.7456158 -2.4102339 -0.0868700 -0.1329536 -0.0689702 -0.6896729 14 O -1.8697383 -0.7185989 -0.1133935 -0.7456158 -2.4102339 0.0868700 -0.1329536 0.0689702 -0.6896729 15 O -1.8697383 0.7185989 0.1133935 0.7456158 -2.4102339 0.0868700 0.1329536 0.0689702 -0.6896729 16 O -1.8697383 -0.7185989 0.1133935 -0.7456158 -2.4102339 -0.0868700 0.1329536 -0.0689702 -0.6896729 17 O -1.8697383 0.7185989 -0.1133935 0.7456158 -2.4102339 -0.0868700 -0.1329536 -0.0689702 -0.6896729 18 O -1.8697383 -0.7185989 -0.1133935 -0.7456158 -2.4102339 0.0868700 -0.1329536 0.0689702 -0.6896729 19 O -1.8697383 0.7185989 0.1133935 0.7456158 -2.4102339 0.0868700 0.1329536 0.0689702 -0.6896729 20 O -1.8697383 -0.7185989 0.1133935 -0.7456158 -2.4102339 -0.0868700 0.1329536 -0.0689702 -0.6896729 21 O -2.2849311 -0.3557079 0.2471427 -0.2400768 -1.5916392 0.0010792 0.1775376 0.0135712 -1.3474192 22 O -2.2849311 0.3557079 0.2471427 0.2400768 -1.5916392 -0.0010792 0.1775376 -0.0135712 -1.3474192 23 O -2.2849311 -0.3557079 -0.2471427 -0.2400768 -1.5916392 -0.0010792 -0.1775376 -0.0135712 -1.3474192 24 O -2.2849311 0.3557079 -0.2471427 0.2400768 -1.5916392 0.0010792 -0.1775376 0.0135712 -1.3474192 25 Sr 2.6449651 0.0000000 0.0074127 0.0000000 2.4382479 0.0000000 -0.1091284 0.0000000 2.4609773 26 Sr 2.6449651 0.0000000 -0.0074127 0.0000000 2.4382479 0.0000000 0.1091284 0.0000000 2.4609773 27 Sr 2.6449651 0.0000000 0.0074127 0.0000000 2.4382479 0.0000000 -0.1091284 0.0000000 2.4609773 28 Sr 2.6449651 0.0000000 -0.0074127 0.0000000 2.4382479 0.0000000 0.1091284 0.0000000 2.4609773 ---------------------------------------------------------------------------- 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[ 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[ 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] Computing fc3[ 97, 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: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yx) 0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:30:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:30:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.990158449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.348216850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.564995930000002 Atomic positions (fractional): 1 B 0.80612134317032 0.66926366157678 0.37298049105672 10.811 2 B 0.19387865682968 0.66926366157678 0.12701950894328 10.811 3 B 0.69387865682968 0.83073633842322 0.87298049105672 10.811 4 B 0.30612134317032 0.83073633842322 0.62701950894328 10.811 5 B 0.30612134317032 0.16926366157678 0.12701950894328 10.811 6 B 0.69387865682968 0.16926366157678 0.37298049105672 10.811 7 B 0.19387865682968 0.33073633842321 0.62701950894328 10.811 8 B 0.80612134317032 0.33073633842321 0.87298049105672 10.811 9 O 0.08970376240413 0.23593322484125 0.59427455163332 15.999 10 O 0.58970376240413 0.73593322484125 0.90572544836668 15.999 11 O 0.08970376240413 0.76406677515875 0.09427455163332 15.999 12 O 0.41029623759587 0.73593322484125 0.59427455163332 15.999 13 O 0.71066392779103 0.84950365025395 0.35145602302676 15.999 14 O 0.28933607220897 0.84950365025395 0.14854397697324 15.999 15 O 0.78933607220897 0.65049634974605 0.85145602302676 15.999 16 O 0.21066392779103 0.65049634974605 0.64854397697324 15.999 17 O 0.28933607220897 0.15049634974605 0.64854397697324 15.999 18 O 0.71066392779103 0.15049634974605 0.85145602302676 15.999 19 O 0.21066392779103 0.34950365025395 0.14854397697324 15.999 20 O 0.78933607220897 0.34950365025395 0.35145602302676 15.999 21 O 0.41029623759587 0.26406677515875 0.09427455163332 15.999 22 O 0.58970376240413 0.26406677515875 0.40572544836668 15.999 23 O 0.91029623759587 0.76406677515875 0.40572544836668 15.999 24 O 0.91029623759587 0.23593322484125 0.90572544836668 15.999 25 Sr 0.00000000000000 0.23735961986229 0.25000000000000 87.620 26 Sr 0.50000000000000 0.26264038013771 0.75000000000000 87.620 27 Sr 0.00000000000000 0.76264038013771 0.75000000000000 87.620 28 Sr 0.50000000000000 0.73735961986229 0.25000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.990158449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.696433700000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.129991860000004 Atomic positions (fractional): 1 B 0.80612134317032 0.33463183078839 0.18649024552836 10.811 > 1 2 B 0.80612134317032 0.83463183078839 0.18649024552836 10.811 > 1 3 B 0.80612134317032 0.33463183078839 0.68649024552836 10.811 > 1 4 B 0.80612134317032 0.83463183078839 0.68649024552836 10.811 > 1 5 B 0.19387865682968 0.33463183078839 0.06350975447164 10.811 > 5 6 B 0.19387865682968 0.83463183078839 0.06350975447164 10.811 > 5 7 B 0.19387865682968 0.33463183078839 0.56350975447164 10.811 > 5 8 B 0.19387865682968 0.83463183078839 0.56350975447164 10.811 > 5 9 B 0.69387865682968 0.41536816921161 0.43649024552836 10.811 > 9 10 B 0.69387865682968 0.91536816921161 0.43649024552836 10.811 > 9 11 B 0.69387865682968 0.41536816921161 0.93649024552836 10.811 > 9 12 B 0.69387865682968 0.91536816921161 0.93649024552836 10.811 > 9 13 B 0.30612134317032 0.41536816921161 0.31350975447164 10.811 > 13 14 B 0.30612134317032 0.91536816921161 0.31350975447164 10.811 > 13 15 B 0.30612134317032 0.41536816921161 0.81350975447164 10.811 > 13 16 B 0.30612134317032 0.91536816921161 0.81350975447164 10.811 > 13 17 B 0.30612134317032 0.08463183078839 0.06350975447164 10.811 > 17 18 B 0.30612134317032 0.58463183078839 0.06350975447164 10.811 > 17 19 B 0.30612134317032 0.08463183078839 0.56350975447164 10.811 > 17 20 B 0.30612134317032 0.58463183078839 0.56350975447164 10.811 > 17 21 B 0.69387865682968 0.08463183078839 0.18649024552836 10.811 > 21 22 B 0.69387865682968 0.58463183078839 0.18649024552836 10.811 > 21 23 B 0.69387865682968 0.08463183078839 0.68649024552836 10.811 > 21 24 B 0.69387865682968 0.58463183078839 0.68649024552836 10.811 > 21 25 B 0.19387865682968 0.16536816921161 0.31350975447164 10.811 > 25 26 B 0.19387865682968 0.66536816921161 0.31350975447164 10.811 > 25 27 B 0.19387865682968 0.16536816921161 0.81350975447164 10.811 > 25 28 B 0.19387865682968 0.66536816921161 0.81350975447164 10.811 > 25 29 B 0.80612134317032 0.16536816921161 0.43649024552836 10.811 > 29 30 B 0.80612134317032 0.66536816921161 0.43649024552836 10.811 > 29 31 B 0.80612134317032 0.16536816921161 0.93649024552836 10.811 > 29 32 B 0.80612134317032 0.66536816921161 0.93649024552836 10.811 > 29 33 O 0.08970376240413 0.11796661242062 0.29713727581666 15.999 > 33 34 O 0.08970376240413 0.61796661242062 0.29713727581666 15.999 > 33 35 O 0.08970376240413 0.11796661242062 0.79713727581666 15.999 > 33 36 O 0.08970376240413 0.61796661242062 0.79713727581666 15.999 > 33 37 O 0.58970376240413 0.36796661242062 0.45286272418334 15.999 > 37 38 O 0.58970376240413 0.86796661242062 0.45286272418334 15.999 > 37 39 O 0.58970376240413 0.36796661242062 0.95286272418334 15.999 > 37 40 O 0.58970376240413 0.86796661242062 0.95286272418334 15.999 > 37 41 O 0.08970376240413 0.38203338757938 0.04713727581666 15.999 > 41 42 O 0.08970376240413 0.88203338757938 0.04713727581666 15.999 > 41 43 O 0.08970376240413 0.38203338757938 0.54713727581666 15.999 > 41 44 O 0.08970376240413 0.88203338757938 0.54713727581666 15.999 > 41 45 O 0.41029623759587 0.36796661242062 0.29713727581666 15.999 > 45 46 O 0.41029623759587 0.86796661242062 0.29713727581666 15.999 > 45 47 O 0.41029623759587 0.36796661242062 0.79713727581666 15.999 > 45 48 O 0.41029623759587 0.86796661242062 0.79713727581666 15.999 > 45 49 O 0.71066392779103 0.42475182512697 0.17572801151338 15.999 > 49 50 O 0.71066392779103 0.92475182512697 0.17572801151338 15.999 > 49 51 O 0.71066392779103 0.42475182512697 0.67572801151338 15.999 > 49 52 O 0.71066392779103 0.92475182512697 0.67572801151338 15.999 > 49 53 O 0.28933607220897 0.42475182512697 0.07427198848662 15.999 > 53 54 O 0.28933607220897 0.92475182512697 0.07427198848662 15.999 > 53 55 O 0.28933607220897 0.42475182512697 0.57427198848662 15.999 > 53 56 O 0.28933607220897 0.92475182512697 0.57427198848662 15.999 > 53 57 O 0.78933607220897 0.32524817487303 0.42572801151338 15.999 > 57 58 O 0.78933607220897 0.82524817487303 0.42572801151338 15.999 > 57 59 O 0.78933607220897 0.32524817487303 0.92572801151338 15.999 > 57 60 O 0.78933607220897 0.82524817487303 0.92572801151338 15.999 > 57 61 O 0.21066392779103 0.32524817487303 0.32427198848662 15.999 > 61 62 O 0.21066392779103 0.82524817487303 0.32427198848662 15.999 > 61 63 O 0.21066392779103 0.32524817487303 0.82427198848662 15.999 > 61 64 O 0.21066392779103 0.82524817487303 0.82427198848662 15.999 > 61 65 O 0.28933607220897 0.07524817487303 0.32427198848662 15.999 > 65 66 O 0.28933607220897 0.57524817487303 0.32427198848662 15.999 > 65 67 O 0.28933607220897 0.07524817487303 0.82427198848662 15.999 > 65 68 O 0.28933607220897 0.57524817487303 0.82427198848662 15.999 > 65 69 O 0.71066392779103 0.07524817487303 0.42572801151338 15.999 > 69 70 O 0.71066392779103 0.57524817487303 0.42572801151338 15.999 > 69 71 O 0.71066392779103 0.07524817487303 0.92572801151338 15.999 > 69 72 O 0.71066392779103 0.57524817487303 0.92572801151338 15.999 > 69 73 O 0.21066392779103 0.17475182512697 0.07427198848662 15.999 > 73 74 O 0.21066392779103 0.67475182512697 0.07427198848662 15.999 > 73 75 O 0.21066392779103 0.17475182512697 0.57427198848662 15.999 > 73 76 O 0.21066392779103 0.67475182512697 0.57427198848662 15.999 > 73 77 O 0.78933607220897 0.17475182512697 0.17572801151338 15.999 > 77 78 O 0.78933607220897 0.67475182512697 0.17572801151338 15.999 > 77 79 O 0.78933607220897 0.17475182512697 0.67572801151338 15.999 > 77 80 O 0.78933607220897 0.67475182512697 0.67572801151338 15.999 > 77 81 O 0.41029623759587 0.13203338757938 0.04713727581666 15.999 > 81 82 O 0.41029623759587 0.63203338757938 0.04713727581666 15.999 > 81 83 O 0.41029623759587 0.13203338757938 0.54713727581666 15.999 > 81 84 O 0.41029623759587 0.63203338757938 0.54713727581666 15.999 > 81 85 O 0.58970376240413 0.13203338757938 0.20286272418334 15.999 > 85 86 O 0.58970376240413 0.63203338757938 0.20286272418334 15.999 > 85 87 O 0.58970376240413 0.13203338757938 0.70286272418334 15.999 > 85 88 O 0.58970376240413 0.63203338757938 0.70286272418334 15.999 > 85 89 O 0.91029623759587 0.38203338757938 0.20286272418334 15.999 > 89 90 O 0.91029623759587 0.88203338757938 0.20286272418334 15.999 > 89 91 O 0.91029623759587 0.38203338757938 0.70286272418334 15.999 > 89 92 O 0.91029623759587 0.88203338757938 0.70286272418334 15.999 > 89 93 O 0.91029623759587 0.11796661242062 0.45286272418334 15.999 > 93 94 O 0.91029623759587 0.61796661242062 0.45286272418334 15.999 > 93 95 O 0.91029623759587 0.11796661242062 0.95286272418334 15.999 > 93 96 O 0.91029623759587 0.61796661242062 0.95286272418334 15.999 > 93 97 Sr 0.00000000000000 0.11867980993114 0.12500000000000 87.620 > 97 98 Sr 0.00000000000000 0.61867980993114 0.12500000000000 87.620 > 97 99 Sr 0.00000000000000 0.11867980993114 0.62500000000000 87.620 > 97 100 Sr 0.00000000000000 0.61867980993114 0.62500000000000 87.620 > 97 101 Sr 0.50000000000000 0.13132019006886 0.37500000000000 87.620 > 101 102 Sr 0.50000000000000 0.63132019006886 0.37500000000000 87.620 > 101 103 Sr 0.50000000000000 0.13132019006886 0.87500000000000 87.620 > 101 104 Sr 0.50000000000000 0.63132019006886 0.87500000000000 87.620 > 101 105 Sr 0.00000000000000 0.38132019006886 0.37500000000000 87.620 > 105 106 Sr 0.00000000000000 0.88132019006886 0.37500000000000 87.620 > 105 107 Sr 0.00000000000000 0.38132019006886 0.87500000000000 87.620 > 105 108 Sr 0.00000000000000 0.88132019006886 0.87500000000000 87.620 > 105 109 Sr 0.50000000000000 0.36867980993114 0.12500000000000 87.620 > 109 110 Sr 0.50000000000000 0.86867980993114 0.12500000000000 87.620 > 109 111 Sr 0.50000000000000 0.36867980993114 0.62500000000000 87.620 > 109 112 Sr 0.50000000000000 0.86867980993114 0.62500000000000 87.620 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0196396 0.0000000 0.0000000 0.0000000 2.9235605 0.0000000 0.0000000 0.0000000 2.5009202 -------------------------- Born effective charges -------------------------- 1 B 2.8321868 0.2299734 0.3628546 -0.2591196 2.7827491 0.0992251 0.3279061 0.1053657 0.8066034 2 B 2.8321868 -0.2299734 0.3628546 0.2591196 2.7827491 -0.0992251 0.3279061 -0.1053657 0.8066034 3 B 2.8321868 0.2299734 -0.3628546 -0.2591196 2.7827491 -0.0992251 -0.3279061 -0.1053657 0.8066034 4 B 2.8321868 -0.2299734 -0.3628546 0.2591196 2.7827491 0.0992251 -0.3279061 0.1053657 0.8066034 5 B 2.8321868 0.2299734 -0.3628546 -0.2591196 2.7827491 -0.0992251 -0.3279061 -0.1053657 0.8066034 6 B 2.8321868 -0.2299734 -0.3628546 0.2591196 2.7827491 0.0992251 -0.3279061 0.1053657 0.8066034 7 B 2.8321868 0.2299734 0.3628546 -0.2591196 2.7827491 0.0992251 0.3279061 0.1053657 0.8066034 8 B 2.8321868 -0.2299734 0.3628546 0.2591196 2.7827491 -0.0992251 0.3279061 -0.1053657 0.8066034 9 O -2.2849311 -0.3557079 -0.2471427 -0.2400768 -1.5916392 -0.0010792 -0.1775376 -0.0135712 -1.3474192 10 O -2.2849311 -0.3557079 0.2471427 -0.2400768 -1.5916392 0.0010792 0.1775376 0.0135712 -1.3474192 11 O -2.2849311 0.3557079 -0.2471427 0.2400768 -1.5916392 0.0010792 -0.1775376 0.0135712 -1.3474192 12 O -2.2849311 0.3557079 0.2471427 0.2400768 -1.5916392 -0.0010792 0.1775376 -0.0135712 -1.3474192 13 O -1.8697383 0.7185989 -0.1133935 0.7456158 -2.4102339 -0.0868700 -0.1329536 -0.0689702 -0.6896729 14 O -1.8697383 -0.7185989 -0.1133935 -0.7456158 -2.4102339 0.0868700 -0.1329536 0.0689702 -0.6896729 15 O -1.8697383 0.7185989 0.1133935 0.7456158 -2.4102339 0.0868700 0.1329536 0.0689702 -0.6896729 16 O -1.8697383 -0.7185989 0.1133935 -0.7456158 -2.4102339 -0.0868700 0.1329536 -0.0689702 -0.6896729 17 O -1.8697383 0.7185989 -0.1133935 0.7456158 -2.4102339 -0.0868700 -0.1329536 -0.0689702 -0.6896729 18 O -1.8697383 -0.7185989 -0.1133935 -0.7456158 -2.4102339 0.0868700 -0.1329536 0.0689702 -0.6896729 19 O -1.8697383 0.7185989 0.1133935 0.7456158 -2.4102339 0.0868700 0.1329536 0.0689702 -0.6896729 20 O -1.8697383 -0.7185989 0.1133935 -0.7456158 -2.4102339 -0.0868700 0.1329536 -0.0689702 -0.6896729 21 O -2.2849311 -0.3557079 0.2471427 -0.2400768 -1.5916392 0.0010792 0.1775376 0.0135712 -1.3474192 22 O -2.2849311 0.3557079 0.2471427 0.2400768 -1.5916392 -0.0010792 0.1775376 -0.0135712 -1.3474192 23 O -2.2849311 -0.3557079 -0.2471427 -0.2400768 -1.5916392 -0.0010792 -0.1775376 -0.0135712 -1.3474192 24 O -2.2849311 0.3557079 -0.2471427 0.2400768 -1.5916392 0.0010792 -0.1775376 0.0135712 -1.3474192 25 Sr 2.6449651 0.0000000 0.0074127 0.0000000 2.4382479 0.0000000 -0.1091284 0.0000000 2.4609773 26 Sr 2.6449651 0.0000000 -0.0074127 0.0000000 2.4382479 0.0000000 0.1091284 0.0000000 2.4609773 27 Sr 2.6449651 0.0000000 0.0074127 0.0000000 2.4382479 0.0000000 -0.1091284 0.0000000 2.4609773 28 Sr 2.6449651 0.0000000 -0.0074127 0.0000000 2.4382479 0.0000000 0.1091284 0.0000000 2.4609773 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 11 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 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 1.521 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.580 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 6.947 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.781 ( 0.000 0.000 0.000) 0.000 9.036 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.129 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 10.778 ( 0.000 0.000 0.000) 0.000 10.950 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 18.340 ( 0.000 0.000 0.000) 0.000 18.408 ( 0.000 0.000 0.000) 0.000 18.451 ( 0.000 0.000 0.000) 0.000 18.500 ( 0.000 0.000 0.000) 0.000 19.209 ( 0.000 0.000 0.000) 0.000 19.252 ( 0.000 0.000 0.000) 0.000 19.303 ( 0.000 0.000 0.000) 0.000 19.348 ( 0.000 0.000 0.000) 0.000 19.521 ( 0.000 0.000 0.000) 0.000 19.524 ( 0.000 0.000 0.000) 0.000 20.204 ( 0.000 0.000 0.000) 0.000 20.228 ( 0.000 0.000 0.000) 0.000 20.506 ( 0.000 0.000 0.000) 0.000 20.555 ( 0.000 0.000 0.000) 0.000 20.610 ( 0.000 0.000 0.000) 0.000 20.644 ( 0.000 0.000 0.000) 0.000 20.980 ( 0.000 0.000 0.000) 0.000 20.993 ( 0.000 0.000 0.000) 0.000 21.797 ( 0.000 0.000 0.000) 0.000 21.872 ( 0.000 0.000 0.000) 0.000 31.845 ( 0.000 0.000 0.000) 0.000 31.870 ( 0.000 0.000 0.000) 0.000 31.907 ( 0.000 0.000 0.000) 0.000 31.910 ( 0.000 0.000 0.000) 0.000 34.422 ( 0.000 0.000 0.000) 0.000 34.427 ( 0.000 0.000 0.000) 0.000 34.459 ( 0.000 0.000 0.000) 0.000 34.463 ( 0.000 0.000 0.000) 0.000 34.826 ( 0.000 0.000 0.000) 0.000 34.945 ( 0.000 0.000 0.000) 0.000 34.994 ( 0.000 0.000 0.000) 0.000 35.004 ( 0.000 0.000 0.000) 0.000 41.588 ( 0.000 0.000 0.000) 0.000 41.614 ( 0.000 0.000 0.000) 0.000 41.777 ( 0.000 0.000 0.000) 0.000 42.650 ( 0.000 0.000 0.000) 0.000 42.779 ( 0.000 0.000 0.000) 0.000 43.638 ( 0.000 0.000 0.000) 0.000 43.702 ( 0.000 0.000 0.000) 0.000 46.675 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 23.873 0.000 0.000) 23.873 0.967 ( 45.097 0.000 0.000) 45.097 1.361 ( -14.188 0.000 0.000) 14.188 1.508 ( 71.030 0.000 0.000) 71.030 2.021 ( 1.750 0.000 0.000) 1.750 2.224 ( -6.773 0.000 0.000) 6.773 2.434 ( 7.889 0.000 0.000) 7.889 2.600 ( -28.572 0.000 0.000) 28.572 2.775 ( 20.614 0.000 0.000) 20.614 2.897 ( -10.241 0.000 0.000) 10.241 3.059 ( 9.439 0.000 0.000) 9.439 3.426 ( -12.657 0.000 0.000) 12.657 3.561 ( -8.539 0.000 0.000) 8.539 4.000 ( 9.270 0.000 0.000) 9.270 4.142 ( 5.269 0.000 0.000) 5.269 4.403 ( 6.744 0.000 0.000) 6.744 4.426 ( -49.185 0.000 0.000) 49.185 4.485 ( -5.724 0.000 0.000) 5.724 4.526 ( -0.104 0.000 0.000) 0.104 4.548 ( -7.284 0.000 0.000) 7.284 4.770 ( 0.254 0.000 0.000) 0.254 4.800 ( -5.160 0.000 0.000) 5.160 4.894 ( 4.116 0.000 0.000) 4.116 5.251 ( -11.994 0.000 0.000) 11.994 5.788 ( 6.980 0.000 0.000) 6.980 5.834 ( 1.054 0.000 0.000) 1.054 6.145 ( 7.273 0.000 0.000) 7.273 6.408 ( 1.228 0.000 0.000) 1.228 6.475 ( -0.994 0.000 0.000) 0.994 6.658 ( -10.436 0.000 0.000) 10.436 6.754 ( 42.335 0.000 0.000) 42.335 7.563 ( 4.340 0.000 0.000) 4.340 7.618 ( -3.727 0.000 0.000) 3.727 8.211 ( -17.990 0.000 0.000) 17.990 8.535 ( 4.120 0.000 0.000) 4.120 8.736 ( -3.876 0.000 0.000) 3.876 9.073 ( 3.200 0.000 0.000) 3.200 9.075 ( 1.709 0.000 0.000) 1.709 9.134 ( -0.041 0.000 0.000) 0.041 9.229 ( -2.841 0.000 0.000) 2.841 10.847 ( 6.112 0.000 0.000) 6.112 10.969 ( 1.313 0.000 0.000) 1.313 11.033 ( -1.128 0.000 0.000) 1.128 11.150 ( -5.368 0.000 0.000) 5.368 18.349 ( 0.869 0.000 0.000) 0.869 18.398 ( -0.952 0.000 0.000) 0.952 18.458 ( 0.677 0.000 0.000) 0.677 18.493 ( -0.625 0.000 0.000) 0.625 19.217 ( 0.548 0.000 0.000) 0.548 19.246 ( -0.532 0.000 0.000) 0.532 19.310 ( 0.682 0.000 0.000) 0.682 19.342 ( -0.527 0.000 0.000) 0.527 19.521 ( 0.054 0.000 0.000) 0.054 19.524 ( -0.046 0.000 0.000) 0.046 20.205 ( 0.145 0.000 0.000) 0.145 20.222 ( -0.513 0.000 0.000) 0.513 20.514 ( 0.664 0.000 0.000) 0.664 20.548 ( -0.627 0.000 0.000) 0.627 20.626 ( 0.262 0.000 0.000) 0.262 20.641 ( -0.310 0.000 0.000) 0.310 20.982 ( 0.194 0.000 0.000) 0.194 20.991 ( -0.147 0.000 0.000) 0.147 21.808 ( 0.997 0.000 0.000) 0.997 21.861 ( -0.997 0.000 0.000) 0.997 31.859 ( 0.168 0.000 0.000) 0.168 31.868 ( -0.173 0.000 0.000) 0.173 31.908 ( 0.090 0.000 0.000) 0.090 31.910 ( 0.005 0.000 0.000) 0.005 34.422 ( -0.009 0.000 0.000) 0.009 34.425 ( -0.143 0.000 0.000) 0.143 34.459 ( 0.066 0.000 0.000) 0.066 34.463 ( -0.064 0.000 0.000) 0.064 34.853 ( 2.432 0.000 0.000) 2.432 34.962 ( 0.503 0.000 0.000) 0.503 34.978 ( -2.292 0.000 0.000) 2.292 34.989 ( -0.507 0.000 0.000) 0.507 41.618 ( 2.664 0.000 0.000) 2.664 41.752 ( -2.367 0.000 0.000) 2.367 42.669 ( 1.710 0.000 0.000) 1.710 42.760 ( -1.707 0.000 0.000) 1.707 43.647 ( 0.844 0.000 0.000) 0.844 43.692 ( -0.861 0.000 0.000) 0.861 46.646 ( 0.467 0.000 0.000) 0.467 46.670 ( -0.449 0.000 0.000) 0.449 ======================= Grid point 2 (3/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -21.073 0.000 0.000) 21.073 0.982 ( 21.073 0.000 0.000) 21.073 1.844 ( -36.516 0.000 0.000) 36.516 1.844 ( 36.516 0.000 0.000) 36.516 2.120 ( -1.466 0.000 0.000) 1.466 2.120 ( 1.466 0.000 0.000) 1.466 2.650 ( -12.168 0.000 0.000) 12.168 2.650 ( 12.168 0.000 0.000) 12.168 2.897 ( -55.106 0.000 0.000) 55.106 2.897 ( 55.106 0.000 0.000) 55.106 3.227 ( -20.844 0.000 0.000) 20.844 3.227 ( 20.844 0.000 0.000) 20.844 3.343 ( -23.236 0.000 0.000) 23.236 3.343 ( 23.236 0.000 0.000) 23.236 4.323 ( -9.385 0.000 0.000) 9.385 4.323 ( 9.385 0.000 0.000) 9.385 4.341 ( -11.986 0.000 0.000) 11.986 4.341 ( 11.986 0.000 0.000) 11.986 4.503 ( -2.659 0.000 0.000) 2.659 4.503 ( 2.659 0.000 0.000) 2.659 4.775 ( -0.275 0.000 0.000) 0.275 4.775 ( 0.275 0.000 0.000) 0.275 5.027 ( -8.805 0.000 0.000) 8.805 5.027 ( 8.805 0.000 0.000) 8.805 5.850 ( -0.102 0.000 0.000) 0.102 5.850 ( 0.102 0.000 0.000) 0.102 6.387 ( -14.104 0.000 0.000) 14.104 6.387 ( 14.104 0.000 0.000) 14.104 6.441 ( -1.795 0.000 0.000) 1.795 6.441 ( 1.795 0.000 0.000) 1.795 7.443 ( -18.312 0.000 0.000) 18.312 7.443 ( 18.312 0.000 0.000) 18.312 7.762 ( -18.908 0.000 0.000) 18.908 7.762 ( 18.908 0.000 0.000) 18.908 8.637 ( -5.240 0.000 0.000) 5.240 8.637 ( 5.240 0.000 0.000) 5.240 9.115 ( -1.731 0.000 0.000) 1.731 9.115 ( 1.731 0.000 0.000) 1.731 9.153 ( -4.111 0.000 0.000) 4.111 9.153 ( 4.111 0.000 0.000) 4.111 11.002 ( -1.713 0.000 0.000) 1.713 11.002 ( 1.713 0.000 0.000) 1.713 11.003 ( -8.045 0.000 0.000) 8.045 11.003 ( 8.045 0.000 0.000) 8.045 18.373 ( -1.290 0.000 0.000) 1.290 18.373 ( 1.290 0.000 0.000) 1.290 18.476 ( -0.919 0.000 0.000) 0.919 18.476 ( 0.919 0.000 0.000) 0.919 19.232 ( -0.764 0.000 0.000) 0.764 19.232 ( 0.764 0.000 0.000) 0.764 19.327 ( -0.853 0.000 0.000) 0.853 19.327 ( 0.853 0.000 0.000) 0.853 19.523 ( -0.071 0.000 0.000) 0.071 19.523 ( 0.071 0.000 0.000) 0.071 20.211 ( -0.448 0.000 0.000) 0.448 20.211 ( 0.448 0.000 0.000) 0.448 20.531 ( -0.926 0.000 0.000) 0.926 20.531 ( 0.926 0.000 0.000) 0.926 20.633 ( -0.404 0.000 0.000) 0.404 20.633 ( 0.404 0.000 0.000) 0.404 20.987 ( -0.239 0.000 0.000) 0.239 20.987 ( 0.239 0.000 0.000) 0.239 21.834 ( -1.407 0.000 0.000) 1.407 21.834 ( 1.407 0.000 0.000) 1.407 31.864 ( -0.242 0.000 0.000) 0.242 31.864 ( 0.242 0.000 0.000) 0.242 31.910 ( -0.059 0.000 0.000) 0.059 31.910 ( 0.059 0.000 0.000) 0.059 34.423 ( -0.075 0.000 0.000) 0.075 34.423 ( 0.075 0.000 0.000) 0.075 34.461 ( -0.092 0.000 0.000) 0.092 34.461 ( 0.092 0.000 0.000) 0.092 34.917 ( -3.321 0.000 0.000) 3.321 34.917 ( 3.321 0.000 0.000) 3.321 34.975 ( -0.715 0.000 0.000) 0.715 34.975 ( 0.715 0.000 0.000) 0.715 41.687 ( -3.561 0.000 0.000) 3.561 41.687 ( 3.561 0.000 0.000) 3.561 42.715 ( -2.421 0.000 0.000) 2.421 42.715 ( 2.421 0.000 0.000) 2.421 43.669 ( -1.205 0.000 0.000) 1.205 43.669 ( 1.205 0.000 0.000) 1.205 46.658 ( -0.648 0.000 0.000) 0.648 46.658 ( 0.648 0.000 0.000) 0.648 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.000 24.647 0.000) 24.647 0.883 ( 0.000 41.490 0.000) 41.490 1.598 ( 0.000 7.790 0.000) 7.790 1.692 ( 0.000 72.726 0.000) 72.726 2.063 ( 0.000 4.298 0.000) 4.298 2.434 ( 0.000 7.840 0.000) 7.840 2.583 ( 0.000 11.433 0.000) 11.433 2.822 ( 0.000 14.936 0.000) 14.936 3.009 ( 0.000 3.827 0.000) 3.827 3.152 ( 0.000 30.773 0.000) 30.773 3.225 ( 0.000 13.170 0.000) 13.170 3.588 ( 0.000 -4.407 0.000) 4.407 3.615 ( 0.000 4.960 0.000) 4.960 4.225 ( 0.000 36.569 0.000) 36.569 4.321 ( 0.000 3.529 0.000) 3.529 4.428 ( 0.000 -8.511 0.000) 8.511 4.449 ( 0.000 26.573 0.000) 26.573 4.628 ( 0.000 -11.192 0.000) 11.192 4.680 ( 0.000 -5.916 0.000) 5.916 4.855 ( 0.000 -1.250 0.000) 1.250 4.886 ( 0.000 26.683 0.000) 26.683 5.364 ( 0.000 -7.844 0.000) 7.844 5.421 ( 0.000 -2.318 0.000) 2.318 5.581 ( 0.000 -4.401 0.000) 4.401 5.750 ( 0.000 -3.998 0.000) 3.998 5.856 ( 0.000 -0.042 0.000) 0.042 5.883 ( 0.000 -2.790 0.000) 2.790 5.996 ( 0.000 19.820 0.000) 19.820 6.165 ( 0.000 9.359 0.000) 9.359 6.512 ( 0.000 2.713 0.000) 2.713 6.757 ( 0.000 -1.426 0.000) 1.426 6.959 ( 0.000 1.061 0.000) 1.061 7.508 ( 0.000 -0.829 0.000) 0.829 7.664 ( 0.000 0.882 0.000) 0.882 8.640 ( 0.000 -0.503 0.000) 0.503 8.748 ( 0.000 -3.253 0.000) 3.253 8.996 ( 0.000 2.365 0.000) 2.365 9.157 ( 0.000 3.868 0.000) 3.868 9.202 ( 0.000 10.351 0.000) 10.351 9.683 ( 0.000 5.598 0.000) 5.598 10.978 ( 0.000 16.547 0.000) 16.547 11.067 ( 0.000 10.819 0.000) 10.819 11.250 ( 0.000 20.002 0.000) 20.002 11.270 ( 0.000 5.962 0.000) 5.962 17.879 ( 0.000 -41.806 0.000) 41.806 17.921 ( 0.000 -39.633 0.000) 39.633 18.030 ( 0.000 -35.934 0.000) 35.934 18.295 ( 0.000 -36.744 0.000) 36.744 19.157 ( 0.000 -4.803 0.000) 4.803 19.199 ( 0.000 -5.282 0.000) 5.282 19.291 ( 0.000 -2.811 0.000) 2.811 19.336 ( 0.000 -2.435 0.000) 2.435 19.656 ( 0.000 7.219 0.000) 7.219 19.671 ( 0.000 7.280 0.000) 7.280 20.388 ( 0.000 -11.205 0.000) 11.205 20.409 ( 0.000 -13.821 0.000) 13.821 20.476 ( 0.000 -11.323 0.000) 11.323 20.523 ( 0.000 -10.041 0.000) 10.041 20.630 ( 0.000 28.018 0.000) 28.018 20.822 ( 0.000 17.767 0.000) 17.767 21.318 ( 0.000 29.116 0.000) 29.116 21.468 ( 0.000 39.427 0.000) 39.427 21.925 ( 0.000 15.276 0.000) 15.276 22.143 ( 0.000 17.299 0.000) 17.299 31.181 ( 0.000 -49.278 0.000) 49.278 31.247 ( 0.000 -47.219 0.000) 47.219 31.434 ( 0.000 -44.432 0.000) 44.432 31.445 ( 0.000 -42.721 0.000) 42.721 34.624 ( 0.000 17.778 0.000) 17.778 34.651 ( 0.000 17.917 0.000) 17.917 34.878 ( 0.000 37.649 0.000) 37.649 35.200 ( 0.000 35.649 0.000) 35.649 35.322 ( 0.000 33.929 0.000) 33.929 35.605 ( 0.000 47.454 0.000) 47.454 35.658 ( 0.000 45.830 0.000) 45.830 39.623 ( 0.000 -2.314 0.000) 2.314 41.534 ( 0.000 -3.217 0.000) 3.217 41.651 ( 0.000 1.859 0.000) 1.859 41.774 ( 0.000 -0.172 0.000) 0.172 42.626 ( 0.000 -2.279 0.000) 2.279 43.014 ( 0.000 -2.382 0.000) 2.382 43.580 ( 0.000 -5.504 0.000) 5.504 43.649 ( 0.000 -4.986 0.000) 4.986 46.315 ( 0.000 -32.522 0.000) 32.522 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.25 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 17.137 18.132 0.000) 24.949 1.347 ( 32.687 23.613 0.000) 40.324 1.464 ( -10.377 9.956 0.000) 14.381 2.090 ( 2.598 4.630 0.000) 5.309 2.153 ( 37.606 44.232 0.000) 58.058 2.313 ( -3.874 15.400 0.000) 15.880 2.730 ( -23.983 9.260 0.000) 25.709 2.758 ( 9.593 14.090 0.000) 17.046 2.928 ( 10.105 11.120 0.000) 15.026 3.137 ( -7.869 15.632 0.000) 17.500 3.269 ( 11.542 26.597 0.000) 28.994 3.375 ( -11.163 -0.745 0.000) 11.187 3.738 ( -2.429 6.696 0.000) 7.123 4.153 ( -1.632 16.426 0.000) 16.507 4.329 ( -30.192 0.028 0.000) 30.192 4.419 ( -1.783 -7.827 0.000) 8.028 4.452 ( 6.185 18.017 0.000) 19.049 4.628 ( 0.746 17.276 0.000) 17.292 4.641 ( 1.053 -9.787 0.000) 9.843 4.772 ( -6.805 18.466 0.000) 19.680 4.791 ( -7.741 6.215 0.000) 9.927 4.904 ( 1.534 7.133 0.000) 7.296 5.161 ( -20.132 40.368 0.000) 45.109 5.251 ( -13.021 0.428 0.000) 13.028 5.758 ( 8.077 -2.031 0.000) 8.328 5.811 ( 1.491 -2.107 0.000) 2.582 6.210 ( 6.681 7.185 0.000) 9.811 6.318 ( 5.708 -7.846 0.000) 9.703 6.437 ( 6.447 -11.705 0.000) 13.363 6.598 ( 27.123 -3.581 0.000) 27.358 6.656 ( -9.113 0.260 0.000) 9.116 7.334 ( 10.625 -29.639 0.000) 31.486 7.543 ( 3.051 -1.150 0.000) 3.260 7.646 ( -0.912 -0.072 0.000) 0.915 8.664 ( 1.416 0.727 0.000) 1.591 8.728 ( -1.750 -1.262 0.000) 2.157 9.024 ( 2.691 1.954 0.000) 3.325 9.143 ( -1.255 4.953 0.000) 5.109 9.207 ( 0.614 8.863 0.000) 8.884 9.437 ( -14.324 8.766 0.000) 16.793 11.037 ( 4.737 14.743 0.000) 15.485 11.094 ( 1.516 11.598 0.000) 11.697 11.247 ( -0.001 20.972 0.000) 20.972 11.329 ( 0.914 11.102 0.000) 11.140 17.883 ( 0.406 -41.013 0.000) 41.015 17.914 ( -0.650 -39.739 0.000) 39.744 18.037 ( 0.834 -34.762 0.000) 34.772 18.170 ( -7.071 -29.082 0.000) 29.930 19.164 ( 0.608 -4.873 0.000) 4.911 19.193 ( -0.510 -5.181 0.000) 5.206 19.300 ( 0.743 -2.758 0.000) 2.856 19.331 ( -0.484 -2.472 0.000) 2.519 19.654 ( -0.095 7.314 0.000) 7.315 19.659 ( -0.611 7.968 0.000) 7.992 20.391 ( 0.288 -11.450 0.000) 11.454 20.406 ( -0.280 -13.254 0.000) 13.257 20.481 ( 0.467 -10.682 0.000) 10.693 20.515 ( -0.755 -9.904 0.000) 9.933 20.631 ( 0.193 27.772 0.000) 27.772 20.721 ( -5.891 27.886 0.000) 28.502 21.315 ( -0.268 29.051 0.000) 29.052 21.358 ( -4.681 36.650 0.000) 36.947 21.939 ( 1.381 15.541 0.000) 15.602 22.046 ( -4.398 18.430 0.000) 18.947 31.194 ( 1.060 -49.223 0.000) 49.235 31.239 ( -0.741 -47.559 0.000) 47.565 31.436 ( 0.170 -44.140 0.000) 44.140 31.444 ( -0.139 -42.965 0.000) 42.966 34.629 ( 0.435 17.786 0.000) 17.792 34.648 ( -0.314 17.866 0.000) 17.869 34.937 ( 6.147 42.633 0.000) 43.074 35.213 ( 1.037 35.846 0.000) 35.861 35.310 ( -0.976 34.286 0.000) 34.300 35.612 ( 0.580 47.155 0.000) 47.158 35.649 ( -0.755 46.168 0.000) 46.174 36.310 ( -97.714 106.645 0.000) 144.642 41.600 ( 2.837 -1.572 0.000) 3.243 41.745 ( -2.658 -0.492 0.000) 2.703 42.647 ( 1.854 -2.090 0.000) 2.794 42.719 ( 1.284 -4.021 0.000) 4.221 43.589 ( 0.857 -5.493 0.000) 5.560 43.635 ( -0.766 -5.581 0.000) 5.633 45.028 ( 87.174 -94.630 0.000) 128.663 46.254 ( -6.370 -36.978 0.000) 37.522 ======================= Grid point 7 (6/90) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -18.549 12.669 0.000) 22.462 1.124 ( 18.549 12.669 0.000) 22.462 2.087 ( -29.437 9.308 0.000) 30.874 2.087 ( 29.437 9.308 0.000) 30.874 2.187 ( -0.047 12.090 0.000) 12.090 2.187 ( 0.047 12.090 0.000) 12.090 2.947 ( -9.306 18.762 0.000) 20.943 2.947 ( 9.306 18.762 0.000) 20.943 3.063 ( -27.892 10.467 0.000) 29.792 3.063 ( 27.892 10.467 0.000) 29.792 3.288 ( -34.471 12.929 0.000) 36.816 3.288 ( 34.471 12.929 0.000) 36.816 3.585 ( -18.250 18.886 0.000) 26.263 3.585 ( 18.250 18.886 0.000) 26.263 4.313 ( -8.190 -1.438 0.000) 8.315 4.313 ( 8.190 -1.438 0.000) 8.315 4.600 ( -5.979 10.346 0.000) 11.950 4.600 ( 5.979 10.346 0.000) 11.950 4.690 ( -0.726 7.173 0.000) 7.209 4.690 ( 0.726 7.173 0.000) 7.209 4.838 ( -8.026 26.647 0.000) 27.829 4.838 ( 8.026 26.647 0.000) 27.829 5.034 ( -6.439 4.364 0.000) 7.778 5.034 ( 6.439 4.364 0.000) 7.778 5.834 ( -0.177 -0.772 0.000) 0.792 5.834 ( 0.177 -0.772 0.000) 0.792 6.397 ( -0.328 -4.266 0.000) 4.278 6.397 ( 0.328 -4.266 0.000) 4.278 6.424 ( -9.243 2.498 0.000) 9.575 6.424 ( 9.243 2.498 0.000) 9.575 7.186 ( -20.860 -22.407 0.000) 30.614 7.186 ( 20.860 -22.407 0.000) 30.614 7.614 ( -3.067 -2.968 0.000) 4.268 7.614 ( 3.067 -2.968 0.000) 4.268 8.690 ( -1.521 1.824 0.000) 2.375 8.690 ( 1.521 1.824 0.000) 2.375 9.096 ( -3.489 4.213 0.000) 5.470 9.096 ( 3.489 4.213 0.000) 5.470 9.245 ( -4.149 5.644 0.000) 7.005 9.245 ( 4.149 5.644 0.000) 7.005 11.109 ( -0.898 11.188 0.000) 11.224 11.109 ( 0.898 11.188 0.000) 11.224 11.281 ( -3.580 20.820 0.000) 21.125 11.281 ( 3.580 20.820 0.000) 21.125 17.897 ( -0.876 -40.125 0.000) 40.134 17.897 ( 0.876 -40.125 0.000) 40.134 18.072 ( -2.744 -31.434 0.000) 31.554 18.072 ( 2.744 -31.434 0.000) 31.554 19.179 ( -0.788 -4.997 0.000) 5.059 19.179 ( 0.788 -4.997 0.000) 5.059 19.317 ( -0.785 -2.569 0.000) 2.687 19.317 ( 0.785 -2.569 0.000) 2.687 19.653 ( -0.025 7.629 0.000) 7.629 19.653 ( 0.025 7.629 0.000) 7.629 20.399 ( -0.380 -12.177 0.000) 12.183 20.399 ( 0.380 -12.177 0.000) 12.183 20.496 ( -0.923 -9.903 0.000) 9.946 20.496 ( 0.923 -9.903 0.000) 9.946 20.646 ( -1.650 28.155 0.000) 28.203 20.646 ( 1.650 28.155 0.000) 28.203 21.314 ( -0.466 30.142 0.000) 30.145 21.314 ( 0.466 30.142 0.000) 30.145 21.980 ( -2.437 16.455 0.000) 16.635 21.980 ( 2.437 16.455 0.000) 16.635 31.218 ( -1.165 -48.408 0.000) 48.422 31.218 ( 1.165 -48.408 0.000) 48.422 31.440 ( -0.205 -43.541 0.000) 43.542 31.440 ( 0.205 -43.541 0.000) 43.542 34.639 ( -0.496 17.795 0.000) 17.802 34.639 ( 0.496 17.795 0.000) 17.802 35.167 ( -13.030 52.107 0.000) 53.712 35.167 ( 13.030 52.107 0.000) 53.712 35.322 ( -8.572 45.264 0.000) 46.068 35.322 ( 8.572 45.264 0.000) 46.068 35.630 ( -0.930 47.012 0.000) 47.021 35.630 ( 0.930 47.012 0.000) 47.021 41.674 ( -3.864 -1.107 0.000) 4.019 41.674 ( 3.864 -1.107 0.000) 4.019 42.693 ( -2.285 -1.982 0.000) 3.025 42.693 ( 2.285 -1.982 0.000) 3.025 43.612 ( -1.225 -5.468 0.000) 5.603 43.612 ( 1.225 -5.468 0.000) 5.603 45.992 ( -21.742 -54.740 0.000) 58.900 45.992 ( 21.742 -54.740 0.000) 58.900 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 23.736 0.000) 23.736 1.716 ( 0.000 37.658 0.000) 37.658 1.859 ( 0.000 16.993 0.000) 16.993 2.155 ( 0.000 4.855 0.000) 4.855 2.461 ( 0.000 10.524 0.000) 10.524 2.881 ( 0.000 15.953 0.000) 15.953 2.953 ( 0.000 4.608 0.000) 4.608 3.060 ( 0.000 0.499 0.000) 0.499 3.135 ( 0.000 47.125 0.000) 47.125 3.433 ( 0.000 7.680 0.000) 7.680 3.531 ( 0.000 0.122 0.000) 0.122 3.711 ( 0.000 3.624 0.000) 3.624 3.788 ( 0.000 21.374 0.000) 21.374 4.185 ( 0.000 -14.227 0.000) 14.227 4.336 ( 0.000 -15.951 0.000) 15.951 4.369 ( 0.000 -0.984 0.000) 0.984 4.528 ( 0.000 -6.988 0.000) 6.988 4.744 ( 0.000 -4.855 0.000) 4.855 4.789 ( 0.000 -4.748 0.000) 4.748 5.088 ( 0.000 34.474 0.000) 34.474 5.233 ( 0.000 -3.910 0.000) 3.910 5.391 ( 0.000 1.103 0.000) 1.103 5.547 ( 0.000 3.724 0.000) 3.724 5.659 ( 0.000 -4.667 0.000) 4.667 5.724 ( 0.000 46.804 0.000) 46.804 5.820 ( 0.000 -3.185 0.000) 3.185 5.885 ( 0.000 3.614 0.000) 3.614 6.534 ( 0.000 26.810 0.000) 26.810 6.557 ( 0.000 26.327 0.000) 26.327 6.655 ( 0.000 11.960 0.000) 11.960 6.726 ( 0.000 -1.206 0.000) 1.206 6.989 ( 0.000 1.778 0.000) 1.778 7.494 ( 0.000 -0.317 0.000) 0.317 7.700 ( 0.000 2.665 0.000) 2.665 8.636 ( 0.000 -0.006 0.000) 0.006 8.645 ( 0.000 -6.439 0.000) 6.439 9.272 ( 0.000 28.179 0.000) 28.179 9.410 ( 0.000 24.837 0.000) 24.837 9.564 ( 0.000 27.336 0.000) 27.336 9.915 ( 0.000 19.196 0.000) 19.196 11.374 ( 0.000 17.271 0.000) 17.271 11.390 ( 0.000 22.399 0.000) 22.399 11.467 ( 0.000 13.654 0.000) 13.654 11.827 ( 0.000 32.287 0.000) 32.287 16.962 ( 0.000 -43.543 0.000) 43.543 16.996 ( 0.000 -45.980 0.000) 45.980 17.182 ( 0.000 -43.210 0.000) 43.210 17.417 ( 0.000 -44.409 0.000) 44.409 18.966 ( 0.000 -16.111 0.000) 16.111 18.974 ( 0.000 -18.893 0.000) 18.893 19.084 ( 0.000 -19.317 0.000) 19.317 19.155 ( 0.000 -17.636 0.000) 17.636 19.748 ( 0.000 2.066 0.000) 2.066 19.757 ( 0.000 1.828 0.000) 1.828 20.038 ( 0.000 -18.430 0.000) 18.430 20.048 ( 0.000 -18.690 0.000) 18.690 20.277 ( 0.000 -5.048 0.000) 5.048 20.328 ( 0.000 -5.971 0.000) 5.971 21.043 ( 0.000 8.473 0.000) 8.473 21.072 ( 0.000 4.941 0.000) 4.941 22.088 ( 0.000 44.949 0.000) 44.949 22.441 ( 0.000 50.942 0.000) 50.942 22.560 ( 0.000 43.103 0.000) 43.103 22.747 ( 0.000 38.816 0.000) 38.816 30.042 ( 0.000 -56.825 0.000) 56.825 30.137 ( 0.000 -56.041 0.000) 56.041 30.325 ( 0.000 -57.629 0.000) 57.629 30.371 ( 0.000 -56.350 0.000) 56.350 35.132 ( 0.000 29.577 0.000) 29.577 35.168 ( 0.000 30.196 0.000) 30.196 35.846 ( 0.000 50.425 0.000) 50.425 36.040 ( 0.000 40.084 0.000) 40.084 36.131 ( 0.000 39.189 0.000) 39.189 36.642 ( 0.000 48.327 0.000) 48.327 36.682 ( 0.000 48.975 0.000) 48.975 39.553 ( 0.000 -4.288 0.000) 4.288 41.478 ( 0.000 -1.592 0.000) 1.592 41.691 ( 0.000 2.298 0.000) 2.298 41.779 ( 0.000 0.999 0.000) 0.999 42.559 ( 0.000 -3.982 0.000) 3.982 42.948 ( 0.000 -3.691 0.000) 3.691 43.410 ( 0.000 -10.673 0.000) 10.673 43.496 ( 0.000 -9.522 0.000) 9.522 45.444 ( 0.000 -47.349 0.000) 47.349 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 11.985 21.722 0.000) 24.809 1.746 ( -10.352 17.575 0.000) 20.398 1.897 ( 15.966 27.135 0.000) 31.484 2.194 ( 3.243 5.707 0.000) 6.564 2.439 ( -1.874 9.578 0.000) 9.760 2.873 ( -16.981 3.809 0.000) 17.403 2.940 ( 7.914 8.712 0.000) 11.769 3.117 ( 9.917 10.835 0.000) 14.688 3.283 ( 14.915 40.319 0.000) 42.989 3.366 ( -7.062 5.639 0.000) 9.037 3.415 ( -6.393 5.850 0.000) 8.665 3.803 ( 4.203 2.508 0.000) 4.894 3.815 ( 2.798 17.576 0.000) 17.797 4.203 ( 1.333 -11.726 0.000) 11.802 4.280 ( -11.330 -3.373 0.000) 11.821 4.374 ( 3.585 -14.657 0.000) 15.089 4.399 ( -16.671 5.760 0.000) 17.639 4.529 ( -6.245 -9.600 0.000) 11.452 4.806 ( 1.979 -3.846 0.000) 4.325 5.086 ( -5.650 -0.566 0.000) 5.679 5.177 ( 7.424 34.965 0.000) 35.744 5.415 ( -0.893 14.097 0.000) 14.125 5.598 ( -9.426 33.611 0.000) 34.908 5.755 ( 5.143 -1.835 0.000) 5.460 5.765 ( 15.507 3.370 0.000) 15.869 5.782 ( -3.692 14.624 0.000) 15.083 6.059 ( 8.971 -14.035 0.000) 16.657 6.312 ( -11.355 13.409 0.000) 17.571 6.557 ( 0.558 25.342 0.000) 25.348 6.711 ( 6.947 10.397 0.000) 12.504 6.716 ( -3.484 7.878 0.000) 8.614 7.059 ( 0.789 -2.261 0.000) 2.394 7.532 ( 3.311 0.155 0.000) 3.314 7.677 ( -2.194 2.273 0.000) 3.160 8.650 ( 1.020 -1.700 0.000) 1.983 8.653 ( 0.636 -5.976 0.000) 6.009 9.298 ( 2.892 28.189 0.000) 28.337 9.420 ( 0.998 25.415 0.000) 25.435 9.540 ( -2.141 26.306 0.000) 26.393 9.711 ( -14.659 21.923 0.000) 26.373 11.410 ( 1.570 21.022 0.000) 21.081 11.427 ( 1.338 19.499 0.000) 19.544 11.586 ( 10.275 14.074 0.000) 17.426 11.815 ( -1.305 30.388 0.000) 30.416 16.966 ( 0.401 -43.924 0.000) 43.926 16.990 ( -0.482 -45.660 0.000) 45.662 17.207 ( 2.307 -42.755 0.000) 42.818 17.368 ( -4.081 -43.040 0.000) 43.233 18.969 ( 0.217 -16.475 0.000) 16.476 18.974 ( 0.016 -18.447 0.000) 18.447 19.097 ( 1.100 -19.107 0.000) 19.139 19.146 ( -0.820 -17.880 0.000) 17.899 19.748 ( 0.055 2.102 0.000) 2.103 19.755 ( -0.207 1.993 0.000) 2.004 20.039 ( 0.124 -18.478 0.000) 18.478 20.047 ( -0.148 -18.662 0.000) 18.663 20.284 ( 0.657 -5.162 0.000) 5.203 20.320 ( -0.697 -5.819 0.000) 5.860 21.043 ( 0.083 8.384 0.000) 8.385 21.063 ( -0.710 6.009 0.000) 6.051 22.104 ( 1.809 46.404 0.000) 46.440 22.344 ( -8.270 52.750 0.000) 53.395 22.572 ( 1.171 42.705 0.000) 42.721 22.676 ( -4.307 40.260 0.000) 40.490 30.057 ( 1.351 -56.748 0.000) 56.764 30.124 ( -1.184 -56.169 0.000) 56.181 30.333 ( 0.641 -57.469 0.000) 57.472 30.365 ( -0.593 -56.556 0.000) 56.559 35.138 ( 0.500 29.638 0.000) 29.642 35.163 ( -0.465 30.079 0.000) 30.082 35.994 ( 14.350 53.221 0.000) 55.121 36.053 ( 1.221 40.086 0.000) 40.105 36.125 ( 0.117 39.359 0.000) 39.359 36.645 ( 0.289 48.413 0.000) 48.414 36.677 ( -0.374 48.959 0.000) 48.960 37.911 ( -87.070 50.181 0.000) 100.495 41.565 ( 3.396 -1.233 0.000) 3.613 41.741 ( -3.439 0.444 0.000) 3.467 42.583 ( 14.346 -9.295 0.000) 17.094 42.586 ( 2.307 -3.564 0.000) 4.246 43.419 ( 0.866 -10.678 0.000) 10.713 43.421 ( 14.609 -19.259 0.000) 24.173 43.651 ( 52.271 -34.077 0.000) 62.398 45.299 ( -14.569 -50.040 0.000) 52.118 ======================= Grid point 12 (9/90) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -15.351 18.870 0.000) 24.326 1.464 ( 15.351 18.870 0.000) 24.326 2.224 ( -5.876 8.257 0.000) 10.134 2.224 ( 5.876 8.257 0.000) 10.134 2.478 ( -13.425 12.119 0.000) 18.086 2.478 ( 13.425 12.119 0.000) 18.086 3.160 ( -11.477 5.778 0.000) 12.850 3.160 ( 11.477 5.778 0.000) 12.850 3.289 ( -6.660 10.821 0.000) 12.706 3.289 ( 6.660 10.821 0.000) 12.706 3.706 ( -20.497 19.907 0.000) 28.573 3.706 ( 20.497 19.907 0.000) 28.573 3.905 ( -7.726 8.166 0.000) 11.242 3.905 ( 7.726 8.166 0.000) 11.242 4.242 ( -3.068 -2.698 0.000) 4.085 4.242 ( 3.068 -2.698 0.000) 4.085 4.456 ( -3.404 -12.495 0.000) 12.951 4.456 ( 3.404 -12.495 0.000) 12.951 4.906 ( -8.197 -1.617 0.000) 8.355 4.906 ( 8.197 -1.617 0.000) 8.355 5.378 ( -10.875 31.338 0.000) 33.171 5.378 ( 10.875 31.338 0.000) 33.171 5.559 ( -11.334 20.492 0.000) 23.418 5.559 ( 11.334 20.492 0.000) 23.418 5.915 ( -2.742 8.678 0.000) 9.101 5.915 ( 2.742 8.678 0.000) 9.101 6.158 ( -4.240 -11.304 0.000) 12.073 6.158 ( 4.240 -11.304 0.000) 12.073 6.618 ( -4.834 17.142 0.000) 17.811 6.618 ( 4.834 17.142 0.000) 17.811 6.934 ( -11.373 0.301 0.000) 11.377 6.934 ( 11.373 0.301 0.000) 11.377 7.612 ( -3.836 1.246 0.000) 4.033 7.612 ( 3.836 1.246 0.000) 4.033 8.662 ( -0.024 -4.349 0.000) 4.349 8.662 ( 0.024 -4.349 0.000) 4.349 9.406 ( -6.002 28.268 0.000) 28.898 9.406 ( 6.002 28.268 0.000) 28.898 9.501 ( -0.721 23.280 0.000) 23.292 9.501 ( 0.721 23.280 0.000) 23.292 11.435 ( -0.465 19.324 0.000) 19.329 11.435 ( 0.465 19.324 0.000) 19.329 11.755 ( -5.124 23.436 0.000) 23.990 11.755 ( 5.124 23.436 0.000) 23.990 16.978 ( -0.640 -44.819 0.000) 44.823 16.978 ( 0.640 -44.819 0.000) 44.823 17.276 ( -4.211 -42.142 0.000) 42.352 17.276 ( 4.211 -42.142 0.000) 42.352 18.973 ( -0.150 -17.420 0.000) 17.421 18.973 ( 0.150 -17.420 0.000) 17.421 19.123 ( -1.296 -18.496 0.000) 18.542 19.123 ( 1.296 -18.496 0.000) 18.542 19.751 ( -0.158 2.135 0.000) 2.141 19.751 ( 0.158 2.135 0.000) 2.141 20.043 ( -0.192 -18.580 0.000) 18.581 20.043 ( 0.192 -18.580 0.000) 18.581 20.302 ( -0.961 -5.472 0.000) 5.555 20.302 ( 0.961 -5.472 0.000) 5.555 21.049 ( -0.519 7.690 0.000) 7.708 21.049 ( 0.519 7.690 0.000) 7.708 22.181 ( -5.954 50.426 0.000) 50.776 22.181 ( 5.954 50.426 0.000) 50.776 22.608 ( -2.374 41.684 0.000) 41.752 22.608 ( 2.374 41.684 0.000) 41.752 30.092 ( -1.785 -56.476 0.000) 56.504 30.092 ( 1.785 -56.476 0.000) 56.504 30.349 ( -0.838 -57.030 0.000) 57.036 30.349 ( 0.838 -57.030 0.000) 57.036 35.150 ( -0.646 29.831 0.000) 29.838 35.150 ( 0.646 29.831 0.000) 29.838 36.084 ( -1.434 40.295 0.000) 40.321 36.084 ( 1.434 40.295 0.000) 40.321 36.554 ( -32.721 56.153 0.000) 64.991 36.554 ( 32.721 56.153 0.000) 64.991 36.689 ( -8.499 51.367 0.000) 52.066 36.689 ( 8.499 51.367 0.000) 52.066 41.652 ( -4.625 -0.514 0.000) 4.653 41.652 ( 4.625 -0.514 0.000) 4.653 42.636 ( -1.808 -3.364 0.000) 3.819 42.636 ( 1.808 -3.364 0.000) 3.819 43.442 ( -1.105 -10.811 0.000) 10.867 43.442 ( 1.105 -10.811 0.000) 10.867 44.771 ( -38.605 -55.752 0.000) 67.813 44.771 ( 38.605 -55.752 0.000) 67.813 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.000 22.530 0.000) 22.530 2.281 ( 0.000 22.524 0.000) 22.524 2.284 ( 0.000 7.726 0.000) 7.726 2.426 ( 0.000 29.227 0.000) 29.227 2.679 ( 0.000 11.399 0.000) 11.399 3.058 ( 0.000 5.602 0.000) 5.602 3.078 ( 0.000 2.757 0.000) 2.757 3.203 ( 0.000 13.575 0.000) 13.575 3.568 ( 0.000 5.108 0.000) 5.108 3.575 ( 0.000 2.725 0.000) 2.725 3.769 ( 0.000 1.945 0.000) 1.945 3.852 ( 0.000 -17.316 0.000) 17.316 3.869 ( 0.000 22.899 0.000) 22.899 4.006 ( 0.000 -14.066 0.000) 14.066 4.093 ( 0.000 10.343 0.000) 10.343 4.258 ( 0.000 -6.972 0.000) 6.972 4.416 ( 0.000 -5.312 0.000) 5.312 4.493 ( 0.000 -13.815 0.000) 13.815 4.674 ( 0.000 -5.772 0.000) 5.772 4.988 ( 0.000 -13.365 0.000) 13.365 5.507 ( 0.000 9.792 0.000) 9.792 5.560 ( 0.000 -4.590 0.000) 4.590 5.577 ( 0.000 4.615 0.000) 4.615 5.673 ( 0.000 10.367 0.000) 10.367 5.740 ( 0.000 -4.013 0.000) 4.013 6.032 ( 0.000 10.091 0.000) 10.091 6.501 ( 0.000 22.823 0.000) 22.823 6.713 ( 0.000 -0.052 0.000) 0.052 6.841 ( 0.000 5.690 0.000) 5.690 6.902 ( 0.000 7.488 0.000) 7.488 7.031 ( 0.000 2.199 0.000) 2.199 7.089 ( 0.000 16.991 0.000) 16.991 7.501 ( 0.000 1.103 0.000) 1.103 7.742 ( 0.000 -0.226 0.000) 0.226 8.492 ( 0.000 -7.865 0.000) 7.865 8.620 ( 0.000 -2.391 0.000) 2.391 10.263 ( 0.000 64.269 0.000) 64.269 10.320 ( 0.000 60.854 0.000) 60.854 10.442 ( 0.000 56.129 0.000) 56.129 10.627 ( 0.000 50.549 0.000) 50.549 11.736 ( 0.000 18.233 0.000) 18.233 11.870 ( 0.000 23.447 0.000) 23.447 11.904 ( 0.000 26.399 0.000) 26.399 12.501 ( 0.000 30.701 0.000) 30.701 16.065 ( 0.000 -41.858 0.000) 41.858 16.115 ( 0.000 -36.621 0.000) 36.621 16.284 ( 0.000 -41.473 0.000) 41.473 16.507 ( 0.000 -41.356 0.000) 41.356 18.334 ( 0.000 -41.647 0.000) 41.647 18.359 ( 0.000 -41.692 0.000) 41.692 18.461 ( 0.000 -40.325 0.000) 40.325 18.526 ( 0.000 -42.155 0.000) 42.155 19.752 ( 0.000 -8.188 0.000) 8.188 19.764 ( 0.000 -0.193 0.000) 0.193 19.767 ( 0.000 -6.946 0.000) 6.946 19.772 ( 0.000 -0.109 0.000) 0.109 20.285 ( 0.000 4.853 0.000) 4.853 20.318 ( 0.000 4.233 0.000) 4.233 21.074 ( 0.000 -3.053 0.000) 3.053 21.077 ( 0.000 -3.116 0.000) 3.116 23.148 ( 0.000 54.450 0.000) 54.450 23.534 ( 0.000 52.882 0.000) 52.882 23.560 ( 0.000 50.336 0.000) 50.336 23.663 ( 0.000 47.097 0.000) 47.097 28.863 ( 0.000 -55.363 0.000) 55.363 28.967 ( 0.000 -55.239 0.000) 55.239 29.106 ( 0.000 -58.207 0.000) 58.207 29.169 ( 0.000 -57.728 0.000) 57.728 35.801 ( 0.000 32.996 0.000) 32.996 35.855 ( 0.000 34.124 0.000) 34.124 36.766 ( 0.000 27.943 0.000) 27.943 36.847 ( 0.000 43.286 0.000) 43.286 36.855 ( 0.000 28.534 0.000) 28.534 37.536 ( 0.000 35.743 0.000) 35.743 37.628 ( 0.000 40.442 0.000) 40.442 39.447 ( 0.000 -5.883 0.000) 5.883 41.494 ( 0.000 3.728 0.000) 3.728 41.760 ( 0.000 4.494 0.000) 4.494 41.832 ( 0.000 4.373 0.000) 4.373 42.464 ( 0.000 -5.087 0.000) 5.087 42.870 ( 0.000 -3.573 0.000) 3.573 43.139 ( 0.000 -15.104 0.000) 15.104 43.260 ( 0.000 -12.757 0.000) 12.757 44.466 ( 0.000 -43.781 0.000) 43.781 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.25 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 9.775 21.570 0.000) 23.681 2.156 ( -11.111 20.850 0.000) 23.626 2.341 ( 4.951 8.469 0.000) 9.810 2.445 ( 1.845 23.893 0.000) 23.965 2.664 ( -0.936 11.883 0.000) 11.920 2.944 ( -11.166 4.758 0.000) 12.137 3.110 ( 6.829 8.457 0.000) 10.870 3.339 ( 8.784 9.781 0.000) 13.146 3.462 ( -5.613 4.670 0.000) 7.302 3.559 ( -3.565 6.442 0.000) 7.362 3.807 ( 0.458 -6.360 0.000) 6.377 3.868 ( 5.694 2.639 0.000) 6.275 3.964 ( 3.584 13.384 0.000) 13.856 4.054 ( 4.914 -11.329 0.000) 12.349 4.139 ( 4.668 3.597 0.000) 5.894 4.152 ( -9.298 -8.298 0.000) 12.462 4.287 ( -6.160 -10.406 0.000) 12.093 4.480 ( -6.257 -0.169 0.000) 6.259 4.716 ( 4.124 -4.143 0.000) 5.845 4.949 ( -2.917 -9.706 0.000) 10.135 5.509 ( 0.614 3.775 0.000) 3.824 5.628 ( 5.822 -6.283 0.000) 8.566 5.630 ( 6.046 2.598 0.000) 6.581 5.688 ( -4.610 -2.999 0.000) 5.499 5.868 ( 13.151 8.814 0.000) 15.831 6.034 ( 2.066 7.953 0.000) 8.217 6.320 ( -15.159 12.236 0.000) 19.481 6.553 ( -10.395 11.156 0.000) 15.248 6.874 ( 2.676 6.023 0.000) 6.590 6.943 ( 0.253 8.254 0.000) 8.258 7.091 ( 0.568 16.742 0.000) 16.751 7.098 ( 3.718 3.145 0.000) 4.870 7.545 ( 3.765 0.967 0.000) 3.887 7.712 ( -2.784 0.002 0.000) 2.784 8.500 ( 0.837 -8.076 0.000) 8.119 8.583 ( -2.873 -4.961 0.000) 5.733 10.282 ( 2.034 63.801 0.000) 63.833 10.324 ( 0.678 60.094 0.000) 60.098 10.413 ( -2.493 56.655 0.000) 56.710 10.511 ( -8.396 55.302 0.000) 55.936 11.876 ( 1.505 22.111 0.000) 22.162 11.903 ( -0.135 25.697 0.000) 25.697 11.935 ( 14.440 20.106 0.000) 24.754 12.439 ( -6.089 28.272 0.000) 28.920 16.072 ( 0.642 -41.005 0.000) 41.010 16.107 ( -0.692 -37.308 0.000) 37.314 16.315 ( 2.852 -41.206 0.000) 41.305 16.473 ( -3.108 -41.095 0.000) 41.212 18.341 ( 0.607 -41.542 0.000) 41.546 18.360 ( -0.018 -41.534 0.000) 41.534 18.470 ( 0.828 -40.763 0.000) 40.771 18.516 ( -0.882 -42.010 0.000) 42.020 19.753 ( 0.097 -7.579 0.000) 7.580 19.760 ( -0.229 -3.839 0.000) 3.846 19.769 ( 0.117 -3.447 0.000) 3.449 19.772 ( -0.024 -0.525 0.000) 0.526 20.290 ( 0.432 4.770 0.000) 4.790 20.313 ( -0.432 4.331 0.000) 4.353 21.074 ( 0.018 -3.017 0.000) 3.017 21.076 ( -0.079 -3.062 0.000) 3.063 23.185 ( 3.679 54.924 0.000) 55.047 23.470 ( -6.570 54.076 0.000) 54.473 23.566 ( 0.559 50.133 0.000) 50.137 23.620 ( -2.496 48.173 0.000) 48.237 28.880 ( 1.449 -55.351 0.000) 55.370 28.953 ( -1.305 -55.267 0.000) 55.282 29.115 ( 0.819 -58.174 0.000) 58.180 29.159 ( -0.870 -57.824 0.000) 57.830 35.809 ( 0.698 33.133 0.000) 33.141 35.847 ( -0.751 33.931 0.000) 33.939 36.781 ( 1.297 28.024 0.000) 28.054 36.843 ( -1.051 28.323 0.000) 28.342 37.025 ( 17.373 43.111 0.000) 46.480 37.548 ( 1.035 36.469 0.000) 36.484 37.616 ( -1.020 39.715 0.000) 39.728 38.621 ( -55.433 21.318 0.000) 59.391 41.575 ( 4.009 2.820 0.000) 4.902 41.780 ( -4.411 3.741 0.000) 5.784 42.352 ( 29.735 -10.854 0.000) 31.654 42.503 ( 3.180 -4.273 0.000) 5.327 42.991 ( 15.805 -13.843 0.000) 21.010 43.148 ( 0.777 -15.158 0.000) 15.178 43.282 ( 5.063 -13.549 0.000) 14.464 44.303 ( -15.949 -43.064 0.000) 45.922 ======================= Grid point 17 (12/90) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -14.059 20.245 0.000) 24.648 1.879 ( 14.059 20.245 0.000) 24.648 2.446 ( -3.480 12.078 0.000) 12.569 2.446 ( 3.480 12.078 0.000) 12.569 2.717 ( -7.976 11.594 0.000) 14.072 2.717 ( 7.976 11.594 0.000) 14.072 3.303 ( -9.756 8.001 0.000) 12.617 3.303 ( 9.756 8.001 0.000) 12.617 3.478 ( -4.419 7.023 0.000) 8.298 3.478 ( 4.419 7.023 0.000) 8.298 3.884 ( -5.221 -6.803 0.000) 8.576 3.884 ( 5.221 -6.803 0.000) 8.576 4.010 ( -2.065 7.924 0.000) 8.188 4.010 ( 2.065 7.924 0.000) 8.188 4.168 ( -5.469 -12.233 0.000) 13.400 4.168 ( 5.469 -12.233 0.000) 13.400 4.293 ( -9.470 4.266 0.000) 10.386 4.293 ( 9.470 4.266 0.000) 10.386 4.840 ( -6.952 -4.142 0.000) 8.092 4.840 ( 6.952 -4.142 0.000) 8.092 5.573 ( -5.418 0.298 0.000) 5.427 5.573 ( 5.418 0.298 0.000) 5.427 5.734 ( -1.136 -7.188 0.000) 7.277 5.734 ( 1.136 -7.188 0.000) 7.277 6.019 ( -10.026 8.652 0.000) 13.243 6.019 ( 10.026 8.652 0.000) 13.243 6.281 ( -15.514 11.187 0.000) 19.127 6.281 ( 15.514 11.187 0.000) 19.127 6.925 ( -1.749 7.515 0.000) 7.716 6.925 ( 1.749 7.515 0.000) 7.716 7.117 ( -1.279 11.540 0.000) 11.611 7.117 ( 1.279 11.540 0.000) 11.611 7.635 ( -4.360 0.392 0.000) 4.377 7.635 ( 4.360 0.392 0.000) 4.377 8.529 ( -2.023 -7.786 0.000) 8.044 8.529 ( 2.023 -7.786 0.000) 8.044 10.356 ( -1.121 59.340 0.000) 59.351 10.356 ( 1.121 59.340 0.000) 59.351 10.359 ( -4.268 60.243 0.000) 60.394 10.359 ( 4.268 60.243 0.000) 60.394 11.895 ( -0.685 24.278 0.000) 24.288 11.895 ( 0.685 24.278 0.000) 24.288 12.242 ( -12.829 22.802 0.000) 26.163 12.242 ( 12.829 22.802 0.000) 26.163 16.089 ( -0.937 -39.073 0.000) 39.084 16.089 ( 0.937 -39.073 0.000) 39.084 16.392 ( -4.217 -40.888 0.000) 41.105 16.392 ( 4.217 -40.888 0.000) 41.105 18.354 ( -0.519 -41.401 0.000) 41.404 18.354 ( 0.519 -41.401 0.000) 41.404 18.493 ( -1.259 -41.536 0.000) 41.555 18.493 ( 1.259 -41.536 0.000) 41.555 19.756 ( -0.186 -5.998 0.000) 6.001 19.756 ( 0.186 -5.998 0.000) 6.001 19.771 ( -0.055 -1.675 0.000) 1.676 19.771 ( 0.055 -1.675 0.000) 1.676 20.302 ( -0.612 4.558 0.000) 4.599 20.302 ( 0.612 4.558 0.000) 4.599 21.075 ( -0.070 -2.993 0.000) 2.994 21.075 ( 0.070 -2.993 0.000) 2.994 23.305 ( -7.658 55.331 0.000) 55.858 23.305 ( 7.658 55.331 0.000) 55.858 23.584 ( -1.195 49.494 0.000) 49.509 23.584 ( 1.195 49.494 0.000) 49.509 28.917 ( -1.950 -55.316 0.000) 55.351 28.917 ( 1.950 -55.316 0.000) 55.351 29.137 ( -1.178 -58.028 0.000) 58.040 29.137 ( 1.178 -58.028 0.000) 58.040 35.827 ( -0.991 33.505 0.000) 33.520 35.827 ( 0.991 33.505 0.000) 33.520 36.813 ( -1.655 28.181 0.000) 28.230 36.813 ( 1.655 28.181 0.000) 28.230 37.541 ( -13.425 39.191 0.000) 41.427 37.541 ( 13.425 39.191 0.000) 41.427 37.647 ( -23.443 37.856 0.000) 44.527 37.647 ( 23.443 37.856 0.000) 44.527 41.673 ( -5.326 3.063 0.000) 6.144 41.673 ( 5.326 3.063 0.000) 6.144 42.558 ( -0.699 -3.999 0.000) 4.060 42.558 ( 0.699 -3.999 0.000) 4.060 43.161 ( -0.110 -15.906 0.000) 15.906 43.161 ( 0.110 -15.906 0.000) 15.906 43.792 ( -32.311 -36.810 0.000) 48.979 43.792 ( 32.311 -36.810 0.000) 48.979 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.000 21.137 0.000) 21.137 2.486 ( 0.000 11.671 0.000) 11.671 2.759 ( 0.000 20.944 0.000) 20.944 2.870 ( 0.000 11.665 0.000) 11.665 2.940 ( 0.000 13.305 0.000) 13.305 3.185 ( 0.000 6.402 0.000) 6.402 3.191 ( 0.000 7.378 0.000) 7.378 3.377 ( 0.000 1.433 0.000) 1.433 3.487 ( 0.000 -15.383 0.000) 15.383 3.589 ( 0.000 -2.583 0.000) 2.583 3.630 ( 0.000 0.371 0.000) 0.371 3.774 ( 0.000 -2.325 0.000) 2.325 3.852 ( 0.000 1.502 0.000) 1.502 4.104 ( 0.000 2.182 0.000) 2.182 4.143 ( 0.000 -4.433 0.000) 4.433 4.251 ( 0.000 -8.836 0.000) 8.836 4.304 ( 0.000 8.796 0.000) 8.796 4.313 ( 0.000 -2.437 0.000) 2.437 4.568 ( 0.000 -3.984 0.000) 3.984 4.713 ( 0.000 -11.805 0.000) 11.805 5.484 ( 0.000 -2.236 0.000) 2.236 5.576 ( 0.000 -2.114 0.000) 2.114 5.675 ( 0.000 -1.661 0.000) 1.661 5.770 ( 0.000 14.600 0.000) 14.600 5.803 ( 0.000 1.541 0.000) 1.541 6.287 ( 0.000 13.820 0.000) 13.820 6.646 ( 0.000 -6.041 0.000) 6.041 6.723 ( 0.000 0.909 0.000) 0.909 6.859 ( 0.000 -2.430 0.000) 2.430 6.968 ( 0.000 -0.010 0.000) 0.010 7.083 ( 0.000 2.938 0.000) 2.938 7.270 ( 0.000 2.011 0.000) 2.011 7.543 ( 0.000 2.766 0.000) 2.766 7.682 ( 0.000 -4.003 0.000) 4.003 8.335 ( 0.000 -6.539 0.000) 6.539 8.509 ( 0.000 -7.981 0.000) 7.981 11.722 ( 0.000 65.401 0.000) 65.401 11.760 ( 0.000 67.138 0.000) 67.138 11.764 ( 0.000 71.300 0.000) 71.300 11.901 ( 0.000 65.246 0.000) 65.246 12.159 ( 0.000 21.857 0.000) 21.857 12.392 ( 0.000 25.622 0.000) 25.622 12.471 ( 0.000 27.022 0.000) 27.022 13.072 ( 0.000 23.110 0.000) 23.110 15.314 ( 0.000 -27.056 0.000) 27.056 15.468 ( 0.000 -23.832 0.000) 23.832 15.518 ( 0.000 -29.021 0.000) 29.021 15.752 ( 0.000 -28.501 0.000) 28.501 17.305 ( 0.000 -54.919 0.000) 54.919 17.313 ( 0.000 -56.480 0.000) 56.480 17.430 ( 0.000 -56.443 0.000) 56.443 17.462 ( 0.000 -57.720 0.000) 57.720 19.672 ( 0.000 -0.829 0.000) 0.829 19.699 ( 0.000 -0.767 0.000) 0.767 19.748 ( 0.000 -1.242 0.000) 1.242 19.759 ( 0.000 -1.012 0.000) 1.012 20.434 ( 0.000 8.574 0.000) 8.574 20.458 ( 0.000 8.300 0.000) 8.300 20.967 ( 0.000 -6.654 0.000) 6.654 20.974 ( 0.000 -6.375 0.000) 6.375 24.313 ( 0.000 56.309 0.000) 56.309 24.621 ( 0.000 50.810 0.000) 50.810 24.635 ( 0.000 52.336 0.000) 52.336 24.675 ( 0.000 49.252 0.000) 49.252 27.733 ( 0.000 -52.988 0.000) 52.988 27.839 ( 0.000 -52.622 0.000) 52.622 27.908 ( 0.000 -56.239 0.000) 56.239 27.978 ( 0.000 -55.932 0.000) 55.932 36.458 ( 0.000 28.723 0.000) 28.723 36.540 ( 0.000 30.190 0.000) 30.190 37.175 ( 0.000 10.897 0.000) 10.897 37.284 ( 0.000 11.982 0.000) 11.982 37.614 ( 0.000 29.735 0.000) 29.735 38.095 ( 0.000 17.315 0.000) 17.315 38.349 ( 0.000 28.399 0.000) 28.399 39.306 ( 0.000 -7.645 0.000) 7.645 41.655 ( 0.000 11.852 0.000) 11.852 41.882 ( 0.000 7.106 0.000) 7.106 41.975 ( 0.000 9.476 0.000) 9.476 42.347 ( 0.000 -6.087 0.000) 6.087 42.785 ( 0.000 -6.362 0.000) 6.362 42.786 ( 0.000 -18.396 0.000) 18.396 43.002 ( 0.000 -9.389 0.000) 9.389 43.679 ( 0.000 -30.704 0.000) 30.704 ======================= Grid point 21 (14/90) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 8.370 20.355 0.000) 22.009 2.547 ( 5.491 11.184 0.000) 12.460 2.584 ( -13.370 19.201 0.000) 23.397 2.839 ( -4.893 13.507 0.000) 14.366 2.907 ( -0.108 8.501 0.000) 8.501 3.092 ( -7.402 8.328 0.000) 11.142 3.304 ( 8.736 9.938 0.000) 13.232 3.463 ( 6.230 1.857 0.000) 6.501 3.518 ( 3.476 -14.766 0.000) 15.170 3.520 ( -2.430 -0.611 0.000) 2.506 3.662 ( -2.800 2.740 0.000) 3.917 3.849 ( 5.937 -6.911 0.000) 9.111 3.899 ( 3.855 -0.366 0.000) 3.872 3.952 ( -11.568 -5.991 0.000) 13.028 4.172 ( 5.722 2.154 0.000) 6.114 4.200 ( -3.259 1.144 0.000) 3.454 4.242 ( -4.060 5.178 0.000) 6.580 4.407 ( 1.460 -5.297 0.000) 5.495 4.646 ( 5.491 -2.664 0.000) 6.103 4.728 ( 1.381 -10.293 0.000) 10.386 5.525 ( 2.973 -2.861 0.000) 4.127 5.623 ( -1.323 2.426 0.000) 2.763 5.631 ( 0.338 3.572 0.000) 3.588 5.664 ( -0.126 0.817 0.000) 0.826 5.993 ( 8.052 2.967 0.000) 8.581 6.251 ( 0.321 12.005 0.000) 12.010 6.353 ( -16.089 -3.903 0.000) 16.556 6.728 ( -9.443 3.761 0.000) 10.164 6.917 ( 4.571 -0.829 0.000) 4.645 7.028 ( 3.475 -1.122 0.000) 3.652 7.116 ( 4.126 0.582 0.000) 4.167 7.261 ( -0.863 1.422 0.000) 1.664 7.573 ( 2.442 1.708 0.000) 2.980 7.670 ( -1.307 -2.995 0.000) 3.268 8.338 ( 0.386 -6.860 0.000) 6.871 8.444 ( -4.858 -7.836 0.000) 9.220 11.723 ( -0.093 63.418 0.000) 63.418 11.745 ( -1.444 69.340 0.000) 69.355 11.759 ( 0.472 69.676 0.000) 69.677 11.858 ( -3.153 67.193 0.000) 67.267 12.316 ( 11.394 21.008 0.000) 23.899 12.435 ( 5.237 26.132 0.000) 26.651 12.465 ( -0.626 27.649 0.000) 27.656 12.970 ( -9.519 21.960 0.000) 23.934 15.342 ( 2.389 -26.152 0.000) 26.261 15.449 ( -1.752 -24.011 0.000) 24.075 15.553 ( 3.175 -29.050 0.000) 29.223 15.719 ( -3.048 -28.616 0.000) 28.778 17.310 ( 0.365 -55.278 0.000) 55.279 17.316 ( 0.165 -56.426 0.000) 56.426 17.434 ( 0.386 -56.478 0.000) 56.479 17.457 ( -0.450 -57.430 0.000) 57.432 19.675 ( 0.340 -0.819 0.000) 0.887 19.694 ( -0.390 -0.778 0.000) 0.871 19.750 ( 0.179 -1.205 0.000) 1.218 19.758 ( -0.135 -1.045 0.000) 1.053 20.438 ( 0.325 8.535 0.000) 8.541 20.455 ( -0.312 8.341 0.000) 8.347 20.968 ( 0.099 -6.603 0.000) 6.603 20.973 ( -0.093 -6.406 0.000) 6.407 24.351 ( 3.654 56.037 0.000) 56.156 24.590 ( -5.044 52.932 0.000) 53.172 24.625 ( 0.337 50.792 0.000) 50.793 24.651 ( -1.034 50.089 0.000) 50.100 27.749 ( 1.444 -52.979 0.000) 52.999 27.824 ( -1.388 -52.723 0.000) 52.741 27.917 ( 0.894 -56.197 0.000) 56.204 27.967 ( -0.988 -55.976 0.000) 55.985 36.469 ( 1.026 28.911 0.000) 28.929 36.526 ( -1.168 29.937 0.000) 29.960 37.191 ( 1.480 10.996 0.000) 11.095 37.266 ( -1.474 11.742 0.000) 11.834 37.771 ( 14.913 28.116 0.000) 31.826 38.130 ( 3.198 18.822 0.000) 19.092 38.311 ( -3.371 26.571 0.000) 26.784 38.896 ( -31.875 6.284 0.000) 32.489 41.709 ( 3.549 10.375 0.000) 10.965 41.910 ( -5.102 8.700 0.000) 10.086 42.197 ( 22.726 -3.588 0.000) 23.007 42.412 ( 4.775 -4.291 0.000) 6.420 42.782 ( 0.155 -9.125 0.000) 9.127 42.794 ( 0.670 -18.310 0.000) 18.323 43.018 ( 2.824 -9.919 0.000) 10.313 43.552 ( -11.923 -28.244 0.000) 30.658 ======================= Grid point 22 (15/90) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -13.430 19.047 0.000) 23.306 2.293 ( 13.430 19.047 0.000) 23.306 2.692 ( -7.797 11.123 0.000) 13.583 2.692 ( 7.797 11.123 0.000) 13.583 2.958 ( -4.659 9.528 0.000) 10.606 2.958 ( 4.659 9.528 0.000) 10.606 3.463 ( -4.625 4.639 0.000) 6.550 3.463 ( 4.625 4.639 0.000) 6.550 3.559 ( -5.256 1.981 0.000) 5.617 3.559 ( 5.256 1.981 0.000) 5.617 3.686 ( -11.039 -10.469 0.000) 15.214 3.686 ( 11.039 -10.469 0.000) 15.214 3.958 ( -0.276 -3.519 0.000) 3.530 3.958 ( 0.276 -3.519 0.000) 3.530 4.158 ( -1.054 4.234 0.000) 4.363 4.158 ( 1.054 4.234 0.000) 4.363 4.333 ( -7.071 -0.753 0.000) 7.111 4.333 ( 7.071 -0.753 0.000) 7.111 4.733 ( -1.957 -5.977 0.000) 6.289 4.733 ( 1.957 -5.977 0.000) 6.289 5.559 ( -1.144 0.462 0.000) 1.234 5.559 ( 1.144 0.462 0.000) 1.234 5.696 ( -0.687 1.861 0.000) 1.984 5.696 ( 0.687 1.861 0.000) 1.984 6.086 ( -7.237 -0.076 0.000) 7.238 6.086 ( 7.237 -0.076 0.000) 7.238 6.449 ( -14.874 4.897 0.000) 15.660 6.449 ( 14.874 4.897 0.000) 15.660 7.009 ( -3.538 1.381 0.000) 3.798 7.009 ( 3.538 1.381 0.000) 3.798 7.221 ( -3.604 -0.460 0.000) 3.633 7.221 ( 3.604 -0.460 0.000) 3.633 7.628 ( -2.556 -0.623 0.000) 2.631 7.628 ( 2.556 -0.623 0.000) 2.631 8.362 ( -2.409 -7.522 0.000) 7.898 8.362 ( 2.409 -7.522 0.000) 7.898 11.722 ( -0.447 65.352 0.000) 65.353 11.722 ( 0.447 65.352 0.000) 65.353 11.793 ( -2.655 69.596 0.000) 69.647 11.793 ( 2.655 69.596 0.000) 69.647 12.437 ( -2.332 27.564 0.000) 27.663 12.437 ( 2.332 27.564 0.000) 27.663 12.697 ( -15.585 20.545 0.000) 25.787 12.697 ( 15.585 20.545 0.000) 25.787 15.400 ( -2.823 -24.740 0.000) 24.901 15.400 ( 2.823 -24.740 0.000) 24.901 15.637 ( -4.442 -28.890 0.000) 29.230 15.637 ( 4.442 -28.890 0.000) 29.230 17.316 ( -0.181 -56.004 0.000) 56.005 17.316 ( 0.181 -56.004 0.000) 56.005 17.445 ( -0.603 -56.827 0.000) 56.830 17.445 ( 0.603 -56.827 0.000) 56.830 19.684 ( -0.506 -0.798 0.000) 0.945 19.684 ( 0.506 -0.798 0.000) 0.945 19.754 ( -0.212 -1.123 0.000) 1.143 19.754 ( 0.212 -1.123 0.000) 1.143 20.446 ( -0.452 8.439 0.000) 8.451 20.446 ( 0.452 8.439 0.000) 8.451 20.970 ( -0.136 -6.495 0.000) 6.496 20.970 ( 0.136 -6.495 0.000) 6.496 24.459 ( -6.400 54.812 0.000) 55.184 24.459 ( 6.400 54.812 0.000) 55.184 24.635 ( -0.630 50.678 0.000) 50.682 24.635 ( 0.630 50.678 0.000) 50.682 27.787 ( -1.997 -52.897 0.000) 52.935 27.787 ( 1.997 -52.897 0.000) 52.935 27.942 ( -1.331 -56.087 0.000) 56.103 27.942 ( 1.331 -56.087 0.000) 56.103 36.497 ( -1.510 29.394 0.000) 29.433 36.497 ( 1.510 29.394 0.000) 29.433 37.229 ( -1.952 11.279 0.000) 11.446 37.229 ( 1.952 11.279 0.000) 11.446 38.192 ( -9.020 22.828 0.000) 24.546 38.192 ( 9.020 22.828 0.000) 24.546 38.258 ( -14.674 21.108 0.000) 25.708 38.258 ( 14.674 21.108 0.000) 25.708 41.799 ( -5.050 9.195 0.000) 10.491 41.799 ( 5.050 9.195 0.000) 10.491 42.472 ( -1.746 -4.273 0.000) 4.615 42.472 ( 1.746 -4.273 0.000) 4.615 42.801 ( -0.586 -17.373 0.000) 17.383 42.801 ( 0.586 -17.373 0.000) 17.383 43.224 ( -16.831 -18.730 0.000) 25.182 43.224 ( 16.831 -18.730 0.000) 25.182 ======================= Grid point 25 (16/90) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.000 19.363 0.000) 19.363 2.755 ( 0.000 -13.922 0.000) 13.922 2.766 ( 0.000 14.920 0.000) 14.920 3.096 ( 0.000 -15.355 0.000) 15.355 3.217 ( 0.000 12.635 0.000) 12.635 3.254 ( 0.000 18.581 0.000) 18.581 3.309 ( 0.000 4.720 0.000) 4.720 3.323 ( 0.000 3.369 0.000) 3.369 3.458 ( 0.000 -9.234 0.000) 9.234 3.503 ( 0.000 6.268 0.000) 6.268 3.567 ( 0.000 -7.848 0.000) 7.848 3.646 ( 0.000 -8.569 0.000) 8.569 3.978 ( 0.000 7.322 0.000) 7.322 4.058 ( 0.000 -2.240 0.000) 2.240 4.078 ( 0.000 -2.920 0.000) 2.920 4.110 ( 0.000 -5.608 0.000) 5.608 4.351 ( 0.000 4.136 0.000) 4.136 4.402 ( 0.000 0.521 0.000) 0.521 4.514 ( 0.000 -1.085 0.000) 1.085 4.540 ( 0.000 -4.277 0.000) 4.277 5.474 ( 0.000 1.136 0.000) 1.136 5.520 ( 0.000 -2.869 0.000) 2.869 5.687 ( 0.000 2.856 0.000) 2.856 5.769 ( 0.000 -3.878 0.000) 3.878 6.092 ( 0.000 15.722 0.000) 15.722 6.411 ( 0.000 -14.284 0.000) 14.284 6.590 ( 0.000 14.570 0.000) 14.570 6.749 ( 0.000 1.633 0.000) 1.633 6.795 ( 0.000 -2.899 0.000) 2.899 6.860 ( 0.000 -10.127 0.000) 10.127 7.157 ( 0.000 4.026 0.000) 4.026 7.241 ( 0.000 -3.559 0.000) 3.559 7.601 ( 0.000 2.206 0.000) 2.206 7.628 ( 0.000 -1.118 0.000) 1.118 8.252 ( 0.000 -0.431 0.000) 0.431 8.332 ( 0.000 -7.440 0.000) 7.440 12.600 ( 0.000 17.859 0.000) 17.859 12.671 ( 0.000 19.521 0.000) 19.521 12.883 ( 0.000 18.442 0.000) 18.442 12.885 ( 0.000 27.846 0.000) 27.846 12.931 ( 0.000 30.000 0.000) 30.000 12.971 ( 0.000 17.724 0.000) 17.724 13.101 ( 0.000 41.334 0.000) 41.334 13.412 ( 0.000 6.531 0.000) 6.531 15.168 ( 0.000 20.047 0.000) 20.047 15.294 ( 0.000 15.068 0.000) 15.068 15.310 ( 0.000 17.366 0.000) 17.366 15.488 ( 0.000 9.172 0.000) 9.172 16.084 ( 0.000 -57.929 0.000) 57.929 16.129 ( 0.000 -54.682 0.000) 54.682 16.199 ( 0.000 -57.696 0.000) 57.696 16.226 ( 0.000 -55.386 0.000) 55.386 19.682 ( 0.000 1.358 0.000) 1.358 19.706 ( 0.000 1.068 0.000) 1.068 19.716 ( 0.000 -1.706 0.000) 1.706 19.733 ( 0.000 -1.398 0.000) 1.398 20.623 ( 0.000 9.161 0.000) 9.161 20.642 ( 0.000 8.916 0.000) 8.916 20.808 ( 0.000 -8.375 0.000) 8.375 20.821 ( 0.000 -8.091 0.000) 8.091 25.485 ( 0.000 55.582 0.000) 55.582 25.682 ( 0.000 50.803 0.000) 50.803 25.712 ( 0.000 49.898 0.000) 49.898 25.727 ( 0.000 52.273 0.000) 52.273 26.627 ( 0.000 -53.479 0.000) 53.479 26.761 ( 0.000 -50.686 0.000) 50.686 26.762 ( 0.000 -53.092 0.000) 53.092 26.833 ( 0.000 -53.684 0.000) 53.684 36.965 ( 0.000 19.018 0.000) 19.018 37.075 ( 0.000 20.156 0.000) 20.156 37.227 ( 0.000 -5.527 0.000) 5.527 37.350 ( 0.000 -5.465 0.000) 5.465 38.088 ( 0.000 15.703 0.000) 15.703 38.264 ( 0.000 -0.687 0.000) 0.687 38.825 ( 0.000 17.662 0.000) 17.662 39.116 ( 0.000 -10.939 0.000) 10.939 41.976 ( 0.000 18.124 0.000) 18.124 42.045 ( 0.000 8.109 0.000) 8.109 42.207 ( 0.000 -7.310 0.000) 7.310 42.224 ( 0.000 14.016 0.000) 14.016 42.382 ( 0.000 -19.901 0.000) 19.901 42.538 ( 0.000 -15.135 0.000) 15.135 42.968 ( 0.000 5.033 0.000) 5.033 43.189 ( 0.000 -16.480 0.000) 16.480 ======================= Grid point 26 (17/90) ======================= q-point: ( 0.25 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 6.772 18.327 0.000) 19.539 2.786 ( 1.394 -9.038 0.000) 9.145 2.804 ( 3.448 13.051 0.000) 13.499 2.998 ( -9.825 9.762 0.000) 13.850 3.024 ( -6.583 -0.223 0.000) 6.587 3.183 ( -9.800 -2.496 0.000) 10.113 3.280 ( 4.003 -1.344 0.000) 4.222 3.424 ( -2.024 -8.162 0.000) 8.409 3.509 ( 8.617 8.385 0.000) 12.023 3.558 ( 4.025 7.042 0.000) 8.111 3.632 ( 1.101 -4.498 0.000) 4.631 3.692 ( 2.933 -5.376 0.000) 6.124 3.920 ( -4.441 0.533 0.000) 4.472 3.940 ( -1.542 0.555 0.000) 1.639 4.178 ( 6.662 1.278 0.000) 6.784 4.233 ( 1.388 -0.887 0.000) 1.647 4.306 ( -5.172 1.073 0.000) 5.282 4.317 ( 0.677 -1.929 0.000) 2.044 4.578 ( 2.193 -2.813 0.000) 3.567 4.591 ( 3.500 -2.524 0.000) 4.315 5.514 ( 3.491 1.530 0.000) 3.811 5.570 ( 4.669 -3.260 0.000) 5.695 5.717 ( 2.707 3.646 0.000) 4.541 5.756 ( -2.901 2.066 0.000) 3.562 6.056 ( -0.566 5.325 0.000) 5.355 6.218 ( -12.054 -8.359 0.000) 14.669 6.517 ( -5.194 12.658 0.000) 13.683 6.721 ( -9.583 -4.992 0.000) 10.805 6.890 ( 7.027 -0.708 0.000) 7.063 6.928 ( 8.527 -5.076 0.000) 9.924 7.160 ( 0.046 2.935 0.000) 2.935 7.229 ( -1.299 -3.200 0.000) 3.453 7.608 ( 0.601 1.340 0.000) 1.469 7.627 ( -0.114 -0.957 0.000) 0.963 8.243 ( -0.658 -1.436 0.000) 1.579 8.292 ( -3.087 -5.707 0.000) 6.489 12.672 ( 0.327 21.373 0.000) 21.375 12.681 ( 4.871 15.343 0.000) 16.098 12.842 ( -0.368 22.045 0.000) 22.048 12.877 ( -0.100 25.928 0.000) 25.928 12.969 ( 2.184 29.453 0.000) 29.534 13.016 ( 3.104 19.959 0.000) 20.199 13.104 ( 0.278 35.763 0.000) 35.764 13.327 ( -7.774 10.246 0.000) 12.861 15.197 ( 2.416 18.933 0.000) 19.086 15.282 ( -1.108 15.590 0.000) 15.629 15.328 ( 1.747 15.695 0.000) 15.792 15.456 ( -2.845 9.702 0.000) 10.111 16.093 ( 0.781 -56.982 0.000) 56.987 16.124 ( -0.436 -54.774 0.000) 54.776 16.205 ( 0.490 -57.442 0.000) 57.444 16.224 ( -0.224 -55.825 0.000) 55.825 19.685 ( 0.275 1.286 0.000) 1.315 19.701 ( -0.371 0.922 0.000) 0.994 19.720 ( 0.281 -1.473 0.000) 1.499 19.731 ( -0.191 -1.414 0.000) 1.427 20.626 ( 0.252 9.114 0.000) 9.118 20.639 ( -0.249 8.938 0.000) 8.941 20.810 ( 0.195 -8.317 0.000) 8.319 20.819 ( -0.160 -8.119 0.000) 8.120 25.514 ( 2.708 55.011 0.000) 55.078 25.677 ( -3.383 51.001 0.000) 51.113 25.686 ( 0.446 50.915 0.000) 50.917 25.715 ( -0.728 51.937 0.000) 51.942 26.647 ( 1.780 -53.053 0.000) 53.083 26.742 ( -1.778 -50.976 0.000) 51.007 26.772 ( 0.860 -53.202 0.000) 53.209 26.821 ( -1.051 -53.746 0.000) 53.756 36.979 ( 1.353 19.135 0.000) 19.183 37.056 ( -1.632 19.815 0.000) 19.882 37.245 ( 1.614 -5.409 0.000) 5.645 37.330 ( -1.725 -5.416 0.000) 5.684 38.205 ( 10.919 13.588 0.000) 17.432 38.337 ( 6.716 1.339 0.000) 6.848 38.732 ( -8.203 14.043 0.000) 16.263 38.917 ( -16.899 -3.927 0.000) 17.349 41.999 ( 1.844 16.626 0.000) 16.728 42.119 ( -3.804 9.020 0.000) 9.790 42.183 ( 10.758 1.208 0.000) 10.826 42.338 ( 4.346 -3.624 0.000) 5.659 42.408 ( 3.493 -15.265 0.000) 15.659 42.532 ( -0.486 -13.509 0.000) 13.518 42.945 ( -1.522 2.682 0.000) 3.084 43.116 ( -6.535 -13.992 0.000) 15.443 ======================= Grid point 27 (18/90) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -10.728 14.511 0.000) 18.045 2.657 ( 10.728 14.511 0.000) 18.045 2.900 ( -5.508 7.660 0.000) 9.435 2.900 ( 5.508 7.660 0.000) 9.435 2.994 ( -7.299 -6.103 0.000) 9.515 2.994 ( 7.299 -6.103 0.000) 9.515 3.365 ( -3.673 -8.219 0.000) 9.002 3.365 ( 3.673 -8.219 0.000) 9.002 3.624 ( -1.816 4.094 0.000) 4.479 3.624 ( 1.816 4.094 0.000) 4.479 3.650 ( -5.277 3.302 0.000) 6.225 3.650 ( 5.277 3.302 0.000) 6.225 3.916 ( -1.436 -2.399 0.000) 2.796 3.916 ( 1.436 -2.399 0.000) 2.796 4.217 ( -0.650 1.256 0.000) 1.414 4.217 ( 0.650 1.256 0.000) 1.414 4.318 ( -3.377 0.367 0.000) 3.397 4.318 ( 3.377 0.367 0.000) 3.397 4.614 ( -1.047 -4.216 0.000) 4.344 4.614 ( 1.047 -4.216 0.000) 4.344 5.611 ( -4.987 3.171 0.000) 5.910 5.611 ( 4.987 3.171 0.000) 5.910 5.721 ( -3.628 -0.224 0.000) 3.635 5.721 ( 3.628 -0.224 0.000) 3.635 6.071 ( -1.205 -0.561 0.000) 1.329 6.071 ( 1.205 -0.561 0.000) 1.329 6.511 ( -7.031 1.396 0.000) 7.168 6.511 ( 7.031 1.396 0.000) 7.168 7.007 ( -2.350 -0.803 0.000) 2.484 7.007 ( 2.350 -0.803 0.000) 2.484 7.183 ( -2.670 -1.573 0.000) 3.099 7.183 ( 2.670 -1.573 0.000) 3.099 7.621 ( -0.525 -0.031 0.000) 0.525 7.621 ( 0.525 -0.031 0.000) 0.525 8.242 ( -1.078 -3.294 0.000) 3.466 8.242 ( 1.078 -3.294 0.000) 3.466 12.693 ( -1.568 21.928 0.000) 21.984 12.693 ( 1.568 21.928 0.000) 21.984 12.878 ( -0.538 21.069 0.000) 21.076 12.878 ( 0.538 21.069 0.000) 21.076 13.051 ( -2.072 24.673 0.000) 24.760 13.051 ( 2.072 24.673 0.000) 24.760 13.139 ( -6.758 22.826 0.000) 23.806 13.139 ( 6.758 22.826 0.000) 23.806 15.248 ( -2.136 17.086 0.000) 17.219 15.248 ( 2.136 17.086 0.000) 17.219 15.385 ( -3.518 12.060 0.000) 12.562 15.385 ( 3.518 12.060 0.000) 12.562 16.111 ( -0.813 -55.488 0.000) 55.494 16.111 ( 0.813 -55.488 0.000) 55.494 16.216 ( -0.494 -56.726 0.000) 56.729 16.216 ( 0.494 -56.726 0.000) 56.729 19.693 ( -0.418 1.099 0.000) 1.175 19.693 ( 0.418 1.099 0.000) 1.175 19.726 ( -0.295 -1.438 0.000) 1.468 19.726 ( 0.295 -1.438 0.000) 1.468 20.632 ( -0.353 9.014 0.000) 9.021 20.632 ( 0.353 9.014 0.000) 9.021 20.815 ( -0.249 -8.203 0.000) 8.207 20.815 ( 0.249 -8.203 0.000) 8.207 25.591 ( -4.362 53.323 0.000) 53.501 25.591 ( 4.362 53.323 0.000) 53.501 25.699 ( -0.753 51.268 0.000) 51.273 25.699 ( 0.753 51.268 0.000) 51.273 26.694 ( -2.558 -51.987 0.000) 52.050 26.694 ( 2.558 -51.987 0.000) 52.050 26.795 ( -1.296 -53.523 0.000) 53.538 26.795 ( 1.296 -53.523 0.000) 53.538 37.016 ( -2.016 19.423 0.000) 19.527 37.016 ( 2.016 19.423 0.000) 19.527 37.287 ( -2.208 -5.405 0.000) 5.839 37.287 ( 2.208 -5.405 0.000) 5.839 38.501 ( -4.569 7.150 0.000) 8.485 38.501 ( 4.569 7.150 0.000) 8.485 38.546 ( -3.514 6.701 0.000) 7.566 38.546 ( 3.514 6.701 0.000) 7.566 42.050 ( -2.897 14.013 0.000) 14.310 42.050 ( 2.897 14.013 0.000) 14.310 42.348 ( -3.296 -10.191 0.000) 10.711 42.348 ( 3.296 -10.191 0.000) 10.711 42.505 ( -3.180 -7.656 0.000) 8.290 42.505 ( 3.180 -7.656 0.000) 8.290 42.970 ( -5.263 -5.908 0.000) 7.912 42.970 ( 5.263 -5.908 0.000) 7.912 ======================= Grid point 55 (19/90) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 0.000 23.239) 23.239 0.450 ( 0.000 0.000 23.520) 23.520 0.832 ( 0.000 0.000 42.424) 42.424 1.683 ( 0.000 0.000 16.038) 16.038 2.052 ( 0.000 0.000 5.092) 5.092 2.309 ( 0.000 0.000 -4.067) 4.067 2.389 ( 0.000 0.000 0.286) 0.286 2.404 ( 0.000 0.000 -5.172) 5.172 2.889 ( 0.000 0.000 -4.819) 4.819 2.984 ( 0.000 0.000 2.662) 2.662 3.091 ( 0.000 0.000 3.546) 3.546 3.607 ( 0.000 0.000 2.792) 2.792 3.628 ( 0.000 0.000 -1.830) 1.830 4.019 ( 0.000 0.000 -0.525) 0.525 4.151 ( 0.000 0.000 -0.423) 0.423 4.246 ( 0.000 0.000 -3.984) 3.984 4.536 ( 0.000 0.000 1.339) 1.339 4.550 ( 0.000 0.000 -0.232) 0.232 4.628 ( 0.000 0.000 -0.025) 0.025 4.738 ( 0.000 0.000 -0.580) 0.580 4.758 ( 0.000 0.000 -7.427) 7.427 4.793 ( 0.000 0.000 2.459) 2.459 5.405 ( 0.000 0.000 -9.286) 9.286 5.520 ( 0.000 0.000 -11.511) 11.511 5.530 ( 0.000 0.000 7.363) 7.363 5.689 ( 0.000 0.000 -7.657) 7.657 5.812 ( 0.000 0.000 -1.026) 1.026 6.071 ( 0.000 0.000 7.396) 7.396 6.132 ( 0.000 0.000 5.213) 5.213 6.792 ( 0.000 0.000 1.998) 1.998 7.030 ( 0.000 0.000 8.537) 8.537 7.517 ( 0.000 0.000 0.154) 0.154 7.532 ( 0.000 0.000 -11.126) 11.126 8.233 ( 0.000 0.000 7.238) 7.238 8.495 ( 0.000 0.000 0.782) 0.782 8.761 ( 0.000 0.000 -2.227) 2.227 9.038 ( 0.000 0.000 0.231) 0.231 9.123 ( 0.000 0.000 -0.572) 0.572 9.279 ( 0.000 0.000 1.718) 1.718 9.330 ( 0.000 0.000 -0.159) 0.159 10.784 ( 0.000 0.000 0.543) 0.543 10.935 ( 0.000 0.000 -1.345) 1.345 11.061 ( 0.000 0.000 1.454) 1.454 11.205 ( 0.000 0.000 -0.307) 0.307 18.345 ( 0.000 0.000 0.481) 0.481 18.413 ( 0.000 0.000 0.515) 0.515 18.451 ( 0.000 0.000 -0.071) 0.071 18.504 ( 0.000 0.000 -0.428) 0.428 19.215 ( 0.000 0.000 0.579) 0.579 19.255 ( 0.000 0.000 0.327) 0.327 19.299 ( 0.000 0.000 -0.324) 0.324 19.345 ( 0.000 0.000 -0.278) 0.278 19.588 ( 0.000 0.000 6.710) 6.710 20.200 ( 0.000 0.000 -0.452) 0.452 20.230 ( 0.000 0.000 0.153) 0.153 20.254 ( 0.000 0.000 -0.503) 0.503 20.511 ( 0.000 0.000 0.438) 0.438 20.557 ( 0.000 0.000 0.248) 0.248 20.604 ( 0.000 0.000 -0.598) 0.598 20.642 ( 0.000 0.000 -0.307) 0.307 21.029 ( 0.000 0.000 3.713) 3.713 21.680 ( 0.000 0.000 0.727) 0.727 21.782 ( 0.000 0.000 -1.599) 1.599 21.863 ( 0.000 0.000 -0.920) 0.920 31.849 ( 0.000 0.000 0.391) 0.391 31.872 ( 0.000 0.000 0.164) 0.164 31.905 ( 0.000 0.000 -0.204) 0.204 31.910 ( 0.000 0.000 -0.025) 0.025 34.424 ( 0.000 0.000 0.136) 0.136 34.428 ( 0.000 0.000 0.081) 0.081 34.457 ( 0.000 0.000 -0.171) 0.171 34.462 ( 0.000 0.000 -0.207) 0.207 34.831 ( 0.000 0.000 0.510) 0.510 34.942 ( 0.000 0.000 -0.352) 0.352 34.995 ( 0.000 0.000 0.135) 0.135 35.005 ( 0.000 0.000 0.112) 0.112 41.558 ( 0.000 0.000 -1.876) 1.876 41.606 ( 0.000 0.000 -0.806) 0.806 41.923 ( 0.000 0.000 14.039) 14.039 42.684 ( 0.000 0.000 3.404) 3.404 42.800 ( 0.000 0.000 2.334) 2.334 43.619 ( 0.000 0.000 -7.861) 7.861 43.757 ( 0.000 0.000 -3.785) 3.785 46.381 ( 0.000 0.000 -29.709) 29.709 ======================= Grid point 56 (20/90) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 16.547 0.000 23.186) 28.485 1.060 ( 40.635 0.000 9.226) 41.669 1.525 ( -13.639 0.000 15.925) 20.968 1.646 ( 62.575 0.000 14.613) 64.259 2.054 ( 0.360 0.000 3.212) 3.232 2.217 ( -6.056 0.000 -0.612) 6.087 2.402 ( 8.563 0.000 -3.188) 9.137 2.628 ( -25.899 0.000 2.660) 26.036 2.750 ( 18.615 0.000 -2.306) 18.758 2.886 ( -7.577 0.000 -1.209) 7.673 3.059 ( 5.642 0.000 -0.092) 5.642 3.452 ( -14.219 0.000 0.797) 14.242 3.555 ( -10.352 0.000 -0.678) 10.375 4.037 ( 3.645 0.000 2.678) 4.523 4.146 ( 5.736 0.000 0.286) 5.743 4.376 ( -40.912 0.000 -4.271) 41.134 4.387 ( 6.156 0.000 -2.223) 6.545 4.490 ( -3.953 0.000 0.497) 3.984 4.545 ( 0.409 0.000 1.920) 1.963 4.579 ( -10.523 0.000 2.284) 10.768 4.795 ( 0.230 0.000 2.163) 2.175 4.815 ( 5.221 0.000 -6.737) 8.523 4.835 ( -5.612 0.000 2.500) 6.143 5.243 ( -13.598 0.000 -2.635) 13.851 5.756 ( 7.928 0.000 -2.160) 8.217 5.824 ( 0.963 0.000 -1.093) 1.457 6.092 ( 17.636 0.000 -13.010) 21.915 6.193 ( 6.747 0.000 5.006) 8.402 6.508 ( 3.913 0.000 -7.634) 8.579 6.680 ( -10.098 0.000 2.423) 10.385 6.999 ( 21.824 0.000 17.370) 27.893 7.548 ( 2.937 0.000 -0.623) 3.002 7.636 ( 1.333 0.000 -3.764) 3.993 8.156 ( -13.761 0.000 0.946) 13.793 8.539 ( 3.808 0.000 0.399) 3.829 8.723 ( -3.395 0.000 -1.523) 3.721 9.072 ( -1.831 0.000 0.007) 1.831 9.074 ( 3.190 0.000 0.054) 3.191 9.181 ( -4.671 0.000 2.622) 5.356 9.243 ( -3.240 0.000 1.246) 3.472 10.851 ( 6.016 0.000 0.437) 6.031 10.958 ( 1.848 0.000 -0.920) 2.065 11.045 ( -1.503 0.000 1.103) 1.864 11.148 ( -5.249 0.000 -0.171) 5.252 18.354 ( 0.866 0.000 0.474) 0.988 18.403 ( -0.966 0.000 0.499) 1.087 18.455 ( 0.582 0.000 -0.191) 0.613 18.494 ( -0.827 0.000 -0.198) 0.850 19.222 ( 0.602 0.000 0.524) 0.798 19.250 ( -0.465 0.000 0.399) 0.613 19.307 ( 0.695 0.000 -0.309) 0.760 19.340 ( -0.529 0.000 -0.277) 0.597 19.590 ( 0.594 0.000 7.249) 7.273 19.842 ( -18.525 0.000 18.729) 26.343 20.201 ( 0.177 0.000 -0.425) 0.460 20.222 ( -0.633 0.000 -0.012) 0.633 20.518 ( 0.653 0.000 0.435) 0.785 20.551 ( -0.586 0.000 0.301) 0.659 20.621 ( 0.706 0.000 -0.449) 0.837 20.641 ( -0.202 0.000 -0.150) 0.252 21.026 ( 0.048 0.000 4.171) 4.171 21.155 ( -11.872 0.000 14.509) 18.747 21.794 ( 1.031 0.000 -1.564) 1.873 21.851 ( -1.120 0.000 -1.090) 1.562 31.860 ( 0.403 0.000 0.194) 0.447 31.872 ( -0.117 0.000 0.285) 0.308 31.906 ( 0.124 0.000 -0.167) 0.208 31.910 ( -0.015 0.000 -0.041) 0.044 34.423 ( -0.018 0.000 0.125) 0.126 34.426 ( -0.134 0.000 0.092) 0.163 34.457 ( 0.048 0.000 -0.212) 0.218 34.461 ( -0.086 0.000 -0.223) 0.239 34.858 ( 2.385 0.000 0.455) 2.428 34.956 ( 0.786 0.000 -0.484) 0.923 34.980 ( -2.238 0.000 0.176) 2.245 34.989 ( -0.575 0.000 0.070) 0.579 41.615 ( 5.081 0.000 0.552) 5.111 41.872 ( -4.639 0.000 11.749) 12.632 42.702 ( 1.590 0.000 3.382) 3.737 42.783 ( -1.503 0.000 2.572) 2.979 43.468 ( 14.940 0.000 -23.236) 27.624 43.609 ( -1.001 0.000 -8.173) 8.234 44.893 ( 96.049 0.000 -103.048) 140.870 46.313 ( -7.187 0.000 -35.373) 36.096 ======================= Grid point 57 (21/90) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -18.151 0.000 18.192) 25.699 1.180 ( 18.151 0.000 18.192) 25.699 1.881 ( -33.806 0.000 3.651) 34.003 1.881 ( 33.806 0.000 3.651) 34.003 2.139 ( -1.606 0.000 1.997) 2.563 2.139 ( 1.606 0.000 1.997) 2.563 2.636 ( -12.936 0.000 -1.431) 13.015 2.636 ( 12.936 0.000 -1.431) 13.015 2.940 ( -52.228 0.000 4.543) 52.425 2.940 ( 52.228 0.000 4.543) 52.425 3.201 ( -21.264 0.000 -2.571) 21.419 3.201 ( 21.264 0.000 -2.571) 21.419 3.322 ( -23.203 0.000 -2.146) 23.302 3.322 ( 23.203 0.000 -2.146) 23.302 4.315 ( -8.273 0.000 -1.061) 8.341 4.315 ( 8.273 0.000 -1.061) 8.341 4.360 ( -11.907 0.000 1.762) 12.037 4.360 ( 11.907 0.000 1.762) 12.037 4.527 ( -2.710 0.000 2.551) 3.722 4.527 ( 2.710 0.000 2.551) 3.722 4.803 ( -0.490 0.000 2.461) 2.509 4.803 ( 0.490 0.000 2.461) 2.509 4.981 ( -10.780 0.000 -4.772) 11.789 4.981 ( 10.780 0.000 -4.772) 11.789 5.835 ( -0.589 0.000 -1.442) 1.557 5.835 ( 0.589 0.000 -1.442) 1.557 6.367 ( -10.345 0.000 -6.916) 12.444 6.367 ( 10.345 0.000 -6.916) 12.444 6.418 ( -13.441 0.000 3.520) 13.895 6.418 ( 13.441 0.000 3.520) 13.895 7.578 ( -10.717 0.000 9.663) 14.430 7.578 ( 10.717 0.000 9.663) 14.430 7.689 ( -22.449 0.000 -4.319) 22.861 7.689 ( 22.449 0.000 -4.319) 22.861 8.634 ( -4.807 0.000 -0.446) 4.828 8.634 ( 4.807 0.000 -0.446) 4.828 9.105 ( -3.333 0.000 -0.721) 3.410 9.105 ( 3.333 0.000 -0.721) 3.410 9.158 ( -4.467 0.000 0.380) 4.483 9.158 ( 4.467 0.000 0.380) 4.483 11.004 ( -2.295 0.000 0.161) 2.300 11.004 ( 2.295 0.000 0.161) 2.300 11.005 ( -7.888 0.000 0.147) 7.890 11.005 ( 7.888 0.000 0.147) 7.890 18.378 ( -1.298 0.000 0.475) 1.382 18.378 ( 1.298 0.000 0.475) 1.382 18.474 ( -1.069 0.000 -0.264) 1.102 18.474 ( 1.069 0.000 -0.264) 1.102 19.237 ( -0.764 0.000 0.497) 0.912 19.237 ( 0.764 0.000 0.497) 0.912 19.325 ( -0.863 0.000 -0.285) 0.909 19.325 ( 0.863 0.000 -0.285) 0.909 19.636 ( -4.447 0.000 10.248) 11.172 19.636 ( 4.447 0.000 10.248) 11.172 20.209 ( -0.545 0.000 -0.286) 0.615 20.209 ( 0.545 0.000 -0.286) 0.615 20.535 ( -0.890 0.000 0.391) 0.972 20.535 ( 0.890 0.000 0.391) 0.972 20.633 ( -0.500 0.000 -0.070) 0.505 20.633 ( 0.500 0.000 -0.070) 0.505 21.046 ( -2.131 0.000 5.997) 6.365 21.046 ( 2.131 0.000 5.997) 6.365 21.822 ( -1.515 0.000 -1.394) 2.058 21.822 ( 1.515 0.000 -1.394) 2.058 31.867 ( -0.303 0.000 0.336) 0.453 31.867 ( 0.303 0.000 0.336) 0.453 31.909 ( -0.097 0.000 -0.094) 0.135 31.909 ( 0.097 0.000 -0.094) 0.135 34.424 ( -0.068 0.000 0.107) 0.127 34.424 ( 0.068 0.000 0.107) 0.127 34.459 ( -0.093 0.000 -0.238) 0.256 34.459 ( 0.093 0.000 -0.238) 0.256 34.920 ( -3.251 0.000 0.320) 3.267 34.920 ( 3.251 0.000 0.320) 3.267 34.974 ( -0.851 0.000 -0.146) 0.863 34.974 ( 0.851 0.000 -0.146) 0.863 41.746 ( -6.841 0.000 6.228) 9.252 41.746 ( 6.841 0.000 6.228) 9.252 42.743 ( -2.161 0.000 3.076) 3.759 42.743 ( 2.161 0.000 3.076) 3.759 43.577 ( -2.191 0.000 -9.566) 9.814 43.577 ( 2.191 0.000 -9.566) 9.814 46.011 ( -25.417 0.000 -58.466) 63.752 46.011 ( 25.417 0.000 -58.466) 63.752 ======================= Grid point 60 (22/90) ======================= q-point: ( 0.00 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.000 13.609 28.578) 31.653 0.989 ( 0.000 36.838 10.442) 38.290 1.732 ( 0.000 5.526 13.367) 14.465 1.767 ( 0.000 65.570 9.171) 66.208 2.118 ( 0.000 4.674 5.563) 7.265 2.423 ( 0.000 8.174 -0.798) 8.213 2.539 ( 0.000 11.716 -4.433) 12.527 2.809 ( 0.000 15.946 -1.285) 15.997 3.032 ( 0.000 3.651 2.290) 4.310 3.081 ( 0.000 30.116 -6.697) 30.851 3.280 ( 0.000 12.821 4.355) 13.541 3.572 ( 0.000 -4.423 -1.676) 4.729 3.661 ( 0.000 4.223 3.932) 5.771 4.265 ( 0.000 1.041 -6.759) 6.839 4.288 ( 0.000 33.637 4.843) 33.984 4.440 ( 0.000 25.257 -0.728) 25.268 4.445 ( 0.000 -8.354 1.641) 8.513 4.606 ( 0.000 -9.196 -2.405) 9.506 4.682 ( 0.000 -7.663 1.124) 7.745 4.814 ( 0.000 -0.072 -3.118) 3.119 4.884 ( 0.000 26.914 -0.265) 26.915 5.168 ( 0.000 14.181 -20.893) 25.251 5.387 ( 0.000 5.628 -13.121) 14.277 5.473 ( 0.000 -4.136 4.261) 5.938 5.558 ( 0.000 11.916 -12.372) 17.177 5.708 ( 0.000 1.378 -1.674) 2.168 5.819 ( 0.000 0.337 -1.415) 1.455 6.011 ( 0.000 -4.918 7.485) 8.956 6.216 ( 0.000 9.248 4.875) 10.454 6.776 ( 0.000 -1.311 2.112) 2.485 7.023 ( 0.000 -0.248 6.721) 6.725 7.202 ( 0.000 -20.016 21.071) 29.062 7.507 ( 0.000 -0.744 0.311) 0.807 7.746 ( 0.000 -6.323 14.288) 15.625 8.623 ( 0.000 1.372 -1.437) 1.987 8.724 ( 0.000 -3.602 -2.666) 4.481 9.012 ( 0.000 1.602 1.421) 2.141 9.149 ( 0.000 4.324 -0.593) 4.364 9.229 ( 0.000 8.373 2.383) 8.705 9.614 ( 0.000 9.325 -5.444) 10.798 10.983 ( 0.000 16.536 0.483) 16.544 11.066 ( 0.000 11.442 -0.151) 11.443 11.250 ( 0.000 18.363 -0.016) 18.363 11.270 ( 0.000 6.960 0.035) 6.960 17.881 ( 0.000 -41.097 0.140) 41.097 17.923 ( 0.000 -39.481 0.253) 39.482 18.021 ( 0.000 -36.254 -0.827) 36.264 18.112 ( 0.000 -28.276 -10.306) 30.096 19.164 ( 0.000 -4.701 0.742) 4.759 19.204 ( 0.000 -5.121 0.563) 5.152 19.287 ( 0.000 -2.822 -0.392) 2.849 19.332 ( 0.000 -2.523 -0.440) 2.561 19.740 ( 0.000 8.061 8.296) 11.568 20.016 ( 0.000 -5.991 22.086) 22.885 20.390 ( 0.000 -11.509 0.261) 11.512 20.411 ( 0.000 -13.400 0.235) 13.402 20.474 ( 0.000 -11.317 -0.220) 11.319 20.518 ( 0.000 -10.216 -0.539) 10.230 20.626 ( 0.000 27.459 -0.388) 27.461 20.785 ( 0.000 21.242 -3.375) 21.508 21.345 ( 0.000 27.669 2.604) 27.791 21.547 ( 0.000 28.156 6.871) 28.982 21.911 ( 0.000 15.494 -1.446) 15.561 22.112 ( 0.000 18.233 -2.897) 18.461 31.190 ( 0.000 -49.121 1.018) 49.131 31.254 ( 0.000 -47.103 0.747) 47.109 31.423 ( 0.000 -44.435 -1.076) 44.448 31.438 ( 0.000 -43.162 -0.744) 43.168 34.631 ( 0.000 18.360 0.722) 18.375 34.659 ( 0.000 18.803 0.815) 18.821 34.864 ( 0.000 36.486 -1.435) 36.514 35.217 ( 0.000 36.111 1.770) 36.154 35.336 ( 0.000 34.425 1.418) 34.454 35.593 ( 0.000 46.985 -1.313) 47.004 35.646 ( 0.000 45.370 -1.245) 45.387 37.620 ( 0.000 116.263 -129.903) 174.333 41.530 ( 0.000 -1.907 -0.296) 1.929 41.628 ( 0.000 1.542 -1.556) 2.190 41.905 ( 0.000 -1.543 12.769) 12.862 42.664 ( 0.000 -2.249 3.726) 4.352 42.856 ( 0.000 3.061 -4.296) 5.275 43.562 ( 0.000 -5.516 -7.084) 8.979 43.653 ( 0.000 -7.975 -0.740) 8.009 46.049 ( 0.000 -30.085 -26.978) 40.409 ======================= Grid point 61 (23/90) ======================= q-point: ( 0.25 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 11.669 13.847 20.678) 27.486 1.427 ( 31.182 22.206 8.276) 39.165 1.599 ( -11.278 7.307 13.343) 18.938 2.127 ( 1.637 5.295 3.589) 6.603 2.220 ( 31.316 33.640 6.729) 46.450 2.308 ( 0.849 20.646 0.036) 20.664 2.710 ( 2.272 12.777 -2.912) 13.300 2.763 ( -14.584 8.652 1.359) 17.012 2.927 ( 9.521 13.373 -0.039) 16.417 3.137 ( -4.526 20.081 -0.980) 20.608 3.241 ( 7.127 21.166 -2.146) 22.436 3.383 ( -11.322 -0.692 0.491) 11.354 3.733 ( -4.014 7.518 -0.771) 8.557 4.182 ( -0.012 14.193 2.514) 14.414 4.272 ( -29.558 -1.948 -5.444) 30.118 4.439 ( -1.294 -7.861 1.887) 8.188 4.472 ( 8.847 19.969 1.831) 21.918 4.620 ( 0.653 17.273 -0.663) 17.298 4.640 ( 0.286 -7.895 -1.388) 8.021 4.746 ( -6.898 12.741 -1.381) 14.554 4.780 ( -4.672 6.784 -1.645) 8.400 4.889 ( -1.860 13.061 -0.666) 13.210 5.063 ( -12.058 29.309 -7.797) 32.637 5.261 ( -13.721 5.591 -0.990) 14.849 5.730 ( 8.751 -2.012 -1.778) 9.154 5.809 ( 1.589 -1.233 -0.444) 2.060 6.075 ( 16.150 -1.524 -10.818) 19.498 6.259 ( 5.824 6.601 4.195) 9.752 6.389 ( 10.593 -11.617 -5.386) 16.618 6.679 ( -8.776 0.181 2.584) 9.150 6.908 ( 8.466 -4.175 17.502) 19.886 7.454 ( 6.982 -24.838 2.493) 25.921 7.538 ( 2.592 -0.823 0.036) 2.720 7.695 ( -5.137 -5.074 11.814) 13.846 8.645 ( 1.503 1.559 -1.699) 2.753 8.712 ( -1.304 -1.792 -1.909) 2.925 9.036 ( 2.481 1.899 1.115) 3.317 9.138 ( -0.792 5.530 -0.397) 5.601 9.223 ( -0.432 7.924 1.386) 8.056 9.419 ( -12.507 8.764 -1.579) 15.353 11.040 ( 4.654 14.852 0.344) 15.568 11.095 ( 1.784 12.115 0.053) 12.245 11.244 ( -0.345 20.053 -0.229) 20.057 11.304 ( 0.572 11.177 -2.064) 11.381 17.885 ( 0.456 -40.514 0.220) 40.517 17.916 ( -0.643 -39.563 0.263) 39.569 18.025 ( 0.428 -35.275 -1.166) 35.297 18.080 ( -2.233 -29.310 -6.281) 30.059 19.171 ( 0.595 -4.772 0.730) 4.864 19.199 ( -0.470 -5.068 0.605) 5.126 19.295 ( 0.720 -2.734 -0.450) 2.863 19.327 ( -0.488 -2.550 -0.437) 2.632 19.746 ( 0.798 8.176 9.037) 12.213 19.908 ( -7.664 1.806 19.274) 20.821 20.394 ( 0.338 -11.517 0.335) 11.527 20.409 ( -0.219 -12.841 0.318) 12.847 20.479 ( 0.515 -10.688 -0.139) 10.701 20.511 ( -0.611 -10.087 -0.336) 10.112 20.626 ( 0.131 27.202 -0.475) 27.207 20.706 ( -4.938 27.077 -1.568) 27.569 21.341 ( -0.222 27.937 2.679) 28.066 21.418 ( -6.542 32.105 5.986) 33.307 21.926 ( 1.371 15.694 -1.470) 15.822 22.031 ( -4.060 18.294 -1.543) 18.802 31.203 ( 1.034 -49.035 0.961) 49.055 31.247 ( -0.695 -47.453 0.803) 47.464 31.426 ( 0.228 -44.230 -1.012) 44.242 31.436 ( -0.175 -43.356 -0.777) 43.363 34.636 ( 0.440 18.398 0.731) 18.417 34.655 ( -0.318 18.706 0.808) 18.726 34.916 ( 5.503 41.073 -2.041) 41.490 35.229 ( 0.805 36.495 1.575) 36.538 35.324 ( -1.016 34.729 1.417) 34.773 35.599 ( 0.589 46.698 -1.298) 46.720 35.637 ( -0.822 45.707 -1.297) 45.733 35.998 ( -66.843 99.444 -27.709) 122.984 41.605 ( 4.884 -0.794 1.036) 5.056 41.852 ( -4.466 -1.683 10.796) 11.803 42.675 ( 2.345 -2.610 2.689) 4.420 42.733 ( 2.935 -4.861 1.490) 5.871 43.388 ( 20.973 -8.091 -25.621) 34.085 43.555 ( -0.911 -5.214 -7.765) 9.398 44.271 ( 80.823 -42.376 -48.414) 103.305 45.942 ( -11.090 -33.111 -31.048) 46.726 ======================= Grid point 62 (24/90) ======================= q-point: (-0.50 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -16.267 9.933 15.516) 24.577 1.288 ( 16.267 9.933 15.516) 24.577 2.122 ( -26.933 7.425 3.658) 28.177 2.122 ( 26.933 7.425 3.658) 28.177 2.193 ( -2.697 12.981 0.732) 13.278 2.193 ( 2.697 12.981 0.732) 13.278 2.934 ( -9.726 17.885 -1.465) 20.412 2.934 ( 9.726 17.885 -1.465) 20.412 3.080 ( -21.987 7.689 1.502) 23.341 3.080 ( 21.987 7.689 1.502) 23.341 3.307 ( -34.755 16.787 2.444) 38.674 3.307 ( 34.755 16.787 2.444) 38.674 3.540 ( -18.173 17.802 -4.528) 25.840 3.540 ( 18.173 17.802 -4.528) 25.840 4.343 ( -8.057 -0.887 2.964) 8.631 4.343 ( 8.057 -0.887 2.964) 8.631 4.630 ( -5.516 11.377 2.417) 12.873 4.630 ( 5.516 11.377 2.417) 12.873 4.674 ( -0.580 7.947 -2.224) 8.273 4.674 ( 0.580 7.947 -2.224) 8.273 4.789 ( -5.506 18.435 -3.586) 19.571 4.789 ( 5.506 18.435 -3.586) 19.571 5.029 ( -7.173 8.482 -0.997) 11.154 5.029 ( 7.174 8.482 -0.997) 11.154 5.824 ( -0.911 -0.417 -0.996) 1.413 5.824 ( 0.911 -0.417 -0.996) 1.413 6.330 ( -9.082 -4.768 -6.533) 12.161 6.330 ( 9.082 -4.768 -6.533) 12.161 6.451 ( -11.666 3.723 3.474) 12.729 6.451 ( 11.666 3.723 3.474) 12.729 7.312 ( -19.253 -22.832 8.988) 31.189 7.312 ( 19.253 -22.832 8.988) 31.189 7.601 ( -3.074 -0.128 0.947) 3.219 7.601 ( 3.074 -0.128 0.947) 3.219 8.677 ( -1.688 1.313 -1.462) 2.591 8.677 ( 1.688 1.313 -1.462) 2.591 9.105 ( -3.093 4.637 0.872) 5.642 9.105 ( 3.093 4.637 0.872) 5.642 9.241 ( -3.731 5.803 -0.413) 6.911 9.241 ( 3.731 5.803 -0.413) 6.911 11.113 ( -0.926 11.343 0.426) 11.389 11.113 ( 0.926 11.343 0.426) 11.389 11.265 ( -2.792 20.027 -1.514) 20.277 11.265 ( 2.792 20.027 -1.514) 20.277 17.899 ( -0.877 -39.856 0.277) 39.866 17.899 ( 0.877 -39.856 0.277) 39.866 18.042 ( -1.287 -32.561 -2.553) 32.686 18.042 ( 1.287 -32.561 -2.553) 32.686 19.186 ( -0.760 -4.912 0.683) 5.017 19.186 ( 0.760 -4.912 0.683) 5.017 19.313 ( -0.820 -2.615 -0.452) 2.778 19.313 ( 0.820 -2.615 -0.452) 2.778 19.787 ( -3.576 7.496 12.364) 14.895 19.787 ( 3.576 7.496 12.364) 14.895 20.402 ( -0.388 -11.940 0.389) 11.952 20.402 ( 0.388 -11.940 0.389) 11.952 20.495 ( -0.883 -10.040 -0.130) 10.080 20.495 ( 0.883 -10.040 -0.130) 10.080 20.640 ( -1.500 27.328 -0.686) 27.378 20.640 ( 1.500 27.328 -0.686) 27.378 21.347 ( -1.183 28.975 3.465) 29.205 21.347 ( 1.183 28.975 3.465) 29.205 21.966 ( -2.457 16.495 -1.425) 16.738 21.966 ( 2.457 16.495 -1.425) 16.738 31.227 ( -1.127 -48.276 0.897) 48.298 31.227 ( 1.127 -48.276 0.897) 48.298 31.432 ( -0.271 -43.790 -0.881) 43.799 31.432 ( 0.271 -43.790 -0.881) 43.799 34.646 ( -0.508 18.510 0.767) 18.533 34.646 ( 0.508 18.510 0.767) 18.533 35.131 ( -15.068 54.221 -4.061) 56.422 35.131 ( 15.068 54.221 -4.061) 56.422 35.315 ( -3.012 40.022 0.041) 40.135 35.315 ( 3.012 40.022 0.041) 40.135 35.618 ( -0.994 46.476 -1.292) 46.504 35.618 ( 0.994 46.476 -1.292) 46.504 41.732 ( -6.567 -1.269 6.048) 9.018 41.732 ( 6.567 -1.269 6.048) 9.018 42.719 ( -1.977 -2.257 2.749) 4.069 42.719 ( 1.977 -2.257 2.749) 4.069 43.522 ( -2.291 -5.181 -9.246) 10.843 43.522 ( 2.291 -5.181 -9.246) 10.843 45.503 ( -34.760 -42.706 -45.114) 71.185 45.503 ( 34.760 -42.706 -45.114) 71.185 ======================= Grid point 65 (25/90) ======================= q-point: ( 0.00 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 17.800 17.806) 25.178 1.769 ( 0.000 36.276 5.408) 36.677 1.940 ( 0.000 14.239 8.259) 16.461 2.210 ( 0.000 4.738 5.571) 7.314 2.454 ( 0.000 9.588 -0.305) 9.592 2.834 ( 0.000 15.014 -4.356) 15.633 2.941 ( 0.000 4.341 -1.319) 4.537 3.070 ( 0.000 38.958 -4.495) 39.216 3.090 ( 0.000 1.736 2.515) 3.055 3.507 ( 0.000 -0.670 -2.413) 2.504 3.513 ( 0.000 11.460 6.191) 13.025 3.702 ( 0.000 15.064 -3.812) 15.539 3.781 ( 0.000 11.499 2.405) 11.748 4.196 ( 0.000 -11.779 -3.477) 12.281 4.215 ( 0.000 -11.549 -6.460) 13.233 4.429 ( 0.000 -5.718 3.955) 6.952 4.481 ( 0.000 -10.185 -2.864) 10.580 4.699 ( 0.000 -5.473 -4.895) 7.342 4.779 ( 0.000 -3.056 -1.650) 3.473 5.104 ( 0.000 22.006 -0.306) 22.009 5.181 ( 0.000 10.303 -3.639) 10.927 5.413 ( 0.000 -0.676 2.877) 2.955 5.505 ( 0.000 8.225 -3.736) 9.034 5.713 ( 0.000 -1.945 2.932) 3.519 5.721 ( 0.000 46.165 -0.395) 46.167 5.840 ( 0.000 1.435 1.868) 2.355 5.918 ( 0.000 -1.672 4.069) 4.399 6.178 ( 0.000 32.102 -16.795) 36.230 6.589 ( 0.000 25.574 3.409) 25.801 6.749 ( 0.000 -0.971 2.453) 2.638 7.033 ( 0.000 1.226 4.596) 4.756 7.090 ( 0.000 6.253 22.118) 22.985 7.492 ( 0.000 -0.619 -0.011) 0.619 7.705 ( 0.000 0.332 2.093) 2.119 8.613 ( 0.000 -6.739 -3.381) 7.539 8.629 ( 0.000 -0.487 -0.786) 0.925 9.281 ( 0.000 28.059 0.889) 28.073 9.409 ( 0.000 25.239 -0.116) 25.240 9.573 ( 0.000 26.927 0.933) 26.943 9.884 ( 0.000 20.189 -2.946) 20.403 11.370 ( 0.000 18.198 -0.280) 18.201 11.390 ( 0.000 19.299 -0.010) 19.299 11.485 ( 0.000 16.174 1.778) 16.272 11.815 ( 0.000 31.798 -1.326) 31.825 16.970 ( 0.000 -43.388 0.838) 43.396 17.001 ( 0.000 -45.864 0.562) 45.867 17.171 ( 0.000 -43.173 -1.146) 43.189 17.344 ( 0.000 -41.575 -6.397) 42.064 18.971 ( 0.000 -16.933 0.581) 16.943 18.984 ( 0.000 -18.158 0.982) 18.184 19.081 ( 0.000 -19.257 -0.284) 19.259 19.150 ( 0.000 -17.637 -0.508) 17.644 19.835 ( 0.000 1.725 8.385) 8.561 19.915 ( 0.000 -3.484 14.845) 15.248 20.043 ( 0.000 -17.755 0.605) 17.765 20.062 ( 0.000 -18.274 1.267) 18.318 20.267 ( 0.000 -5.571 -1.026) 5.665 20.317 ( 0.000 -6.348 -1.112) 6.444 21.022 ( 0.000 7.745 -2.199) 8.051 21.047 ( 0.000 4.662 -2.590) 5.334 22.107 ( 0.000 44.977 1.986) 45.020 22.445 ( 0.000 50.142 0.475) 50.144 22.554 ( 0.000 43.424 -0.632) 43.429 22.730 ( 0.000 39.448 -1.707) 39.485 30.053 ( 0.000 -56.838 1.140) 56.850 30.145 ( 0.000 -56.090 0.780) 56.096 30.316 ( 0.000 -57.548 -1.028) 57.557 30.360 ( 0.000 -56.392 -1.131) 56.403 35.151 ( 0.000 30.180 1.986) 30.245 35.200 ( 0.000 31.404 3.449) 31.592 35.808 ( 0.000 49.496 -3.899) 49.649 36.064 ( 0.000 40.387 2.532) 40.466 36.153 ( 0.000 39.483 2.222) 39.545 36.621 ( 0.000 48.019 -2.100) 48.065 36.660 ( 0.000 48.483 -2.230) 48.535 38.857 ( 0.000 24.972 -63.499) 68.233 41.500 ( 0.000 -0.469 1.891) 1.948 41.669 ( 0.000 2.604 -1.599) 3.056 41.872 ( 0.000 -1.079 9.445) 9.506 42.594 ( 0.000 -4.248 3.541) 5.531 42.875 ( 0.000 -1.120 -4.737) 4.868 43.388 ( 0.000 -10.896 -4.420) 11.758 43.467 ( 0.000 -9.876 -2.188) 10.115 45.240 ( 0.000 -44.121 -20.760) 48.761 ======================= Grid point 66 (26/90) ======================= q-point: ( 0.25 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 9.073 17.722 14.409) 24.576 1.827 ( -10.040 14.595 8.213) 19.526 1.938 ( 14.848 25.762 4.313) 30.046 2.237 ( 2.039 6.124 4.324) 7.769 2.435 ( -1.506 9.195 -0.225) 9.320 2.851 ( -13.362 3.693 -1.831) 13.983 2.924 ( 7.223 10.166 -1.935) 12.620 3.125 ( 7.619 8.694 0.710) 11.582 3.193 ( 9.718 26.898 -5.149) 29.060 3.359 ( -8.497 4.251 -1.076) 9.562 3.518 ( 0.354 17.006 6.743) 18.298 3.762 ( 3.207 17.415 -4.830) 18.354 3.819 ( 2.571 3.637 1.421) 4.676 4.209 ( -2.610 -9.251 -2.905) 10.041 4.241 ( 1.605 -6.671 -7.162) 9.918 4.304 ( -14.965 -2.918 0.985) 15.278 4.422 ( -1.775 -7.970 2.203) 8.458 4.529 ( -5.189 -10.286 -0.216) 11.522 4.812 ( 0.682 -0.753 -0.537) 1.149 5.046 ( -5.315 -0.199 -4.294) 6.836 5.201 ( 6.155 35.067 2.445) 35.687 5.408 ( -1.359 15.532 -0.551) 15.601 5.596 ( -6.038 30.864 -1.355) 31.478 5.690 ( 8.944 1.552 -2.163) 9.332 5.769 ( -4.088 15.085 -0.968) 15.659 5.830 ( 6.099 9.016 2.100) 11.086 6.064 ( 7.873 -13.210 0.680) 15.393 6.149 ( -0.428 16.533 -10.085) 19.371 6.590 ( 0.459 23.450 3.362) 23.694 6.714 ( -3.052 4.342 2.574) 5.899 6.945 ( -0.820 7.227 13.177) 15.051 7.161 ( -0.299 -2.380 10.247) 10.524 7.529 ( 3.262 -0.059 0.045) 3.263 7.679 ( -2.474 0.701 1.476) 2.965 8.622 ( 0.837 -5.735 -3.086) 6.566 8.640 ( 0.615 -2.637 -1.337) 3.020 9.309 ( 2.995 28.043 1.035) 28.221 9.421 ( 1.202 25.675 0.095) 25.703 9.547 ( -2.330 26.102 0.709) 26.215 9.700 ( -13.490 22.335 -1.039) 26.113 11.403 ( 2.087 19.556 -0.289) 19.669 11.447 ( 1.285 21.253 1.598) 21.352 11.570 ( 9.006 14.557 -1.405) 17.175 11.800 ( -1.580 29.985 -1.609) 30.070 16.974 ( 0.369 -43.769 0.804) 43.778 16.996 ( -0.442 -45.531 0.606) 45.537 17.191 ( 1.861 -42.660 -1.564) 42.729 17.312 ( -2.800 -41.336 -5.108) 41.745 18.974 ( 0.263 -17.066 0.627) 17.080 18.983 ( -0.058 -17.955 0.906) 17.978 19.093 ( 1.057 -19.030 -0.342) 19.062 19.141 ( -0.798 -17.873 -0.482) 17.897 19.839 ( 0.474 1.511 8.806) 8.948 19.893 ( -1.745 -1.860 13.184) 13.428 20.047 ( 0.323 -17.865 0.887) 17.890 20.060 ( -0.189 -18.208 1.305) 18.255 20.274 ( 0.676 -5.687 -0.993) 5.812 20.310 ( -0.651 -6.247 -1.048) 6.368 21.022 ( 0.041 7.686 -2.252) 8.009 21.039 ( -0.653 5.624 -2.528) 6.201 22.124 ( 1.881 46.357 2.070) 46.442 22.358 ( -7.693 51.959 1.411) 52.544 22.563 ( 1.036 42.862 -0.963) 42.886 22.664 ( -4.098 40.584 -1.249) 40.809 30.068 ( 1.307 -56.767 1.091) 56.793 30.133 ( -1.132 -56.214 0.839) 56.231 30.323 ( 0.620 -57.409 -1.052) 57.422 30.354 ( -0.578 -56.583 -1.118) 56.597 35.159 ( 0.644 30.320 2.161) 30.403 35.192 ( -0.647 31.187 3.218) 31.359 35.945 ( 13.587 52.302 -5.016) 54.270 36.078 ( 1.274 40.483 2.500) 40.580 36.145 ( -0.468 39.481 2.123) 39.541 36.625 ( 0.270 48.069 -2.108) 48.116 36.655 ( -0.416 48.490 -2.266) 48.545 37.622 ( -72.120 54.693 -28.340) 94.846 41.591 ( 4.530 -0.272 2.391) 5.129 41.817 ( -4.133 -1.224 8.169) 9.236 42.547 ( 22.270 -11.042 -4.421) 25.247 42.619 ( 2.625 -4.428 3.056) 5.986 43.131 ( 29.209 -14.334 -21.437) 38.964 43.390 ( -0.359 -10.554 -6.073) 12.182 43.600 ( 25.225 -20.600 -4.732) 32.910 45.079 ( -16.110 -45.625 -22.154) 53.216 ======================= Grid point 67 (27/90) ======================= q-point: (-0.50 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -13.627 15.929 10.051) 23.248 1.566 ( 13.627 15.929 10.051) 23.248 2.239 ( -6.257 7.792 1.585) 10.119 2.239 ( 6.257 7.792 1.585) 10.119 2.491 ( -13.254 12.257 1.306) 18.100 2.491 ( 13.254 12.257 1.306) 18.100 3.138 ( -10.812 5.831 -2.235) 12.486 3.138 ( 10.812 5.831 -2.235) 12.486 3.272 ( -4.911 9.609 -1.497) 10.894 3.272 ( 4.911 9.609 -1.497) 10.894 3.747 ( -17.422 19.408 4.146) 26.408 3.747 ( 17.422 19.408 4.146) 26.408 3.853 ( -8.076 8.946 -5.790) 13.371 3.853 ( 8.076 8.946 -5.790) 13.371 4.255 ( -1.719 -5.435 1.717) 5.953 4.255 ( 1.719 -5.435 1.717) 5.953 4.457 ( -3.477 -12.554 0.026) 13.026 4.457 ( 3.477 -12.554 0.026) 13.026 4.885 ( -7.140 0.167 -2.183) 7.468 4.885 ( 7.140 0.167 -2.183) 7.468 5.376 ( -8.761 30.890 -0.209) 32.109 5.376 ( 8.761 30.890 -0.209) 32.109 5.552 ( -8.649 22.862 -0.756) 24.454 5.552 ( 8.649 22.862 -0.756) 24.454 5.894 ( -3.592 7.798 -1.685) 8.749 5.894 ( 3.592 7.798 -1.685) 8.749 6.141 ( -2.458 -8.368 -2.044) 8.958 6.141 ( 2.458 -8.368 -2.044) 8.958 6.636 ( -3.813 15.511 2.511) 16.169 6.636 ( 3.813 15.511 2.511) 16.169 7.050 ( -8.468 -0.369 10.153) 13.226 7.050 ( 8.468 -0.369 10.153) 13.226 7.609 ( -3.947 0.773 0.377) 4.039 7.609 ( 3.947 0.773 0.377) 4.039 8.641 ( -0.613 -4.668 -2.346) 5.260 8.641 ( 0.613 -4.668 -2.346) 5.260 9.415 ( -5.720 28.061 0.968) 28.655 9.415 ( 5.720 28.061 0.968) 28.655 9.502 ( -0.470 23.550 0.130) 23.555 9.502 ( 0.470 23.550 0.130) 23.555 11.442 ( -1.317 19.478 0.802) 19.539 11.442 ( 1.317 19.478 0.802) 19.539 11.733 ( -5.346 23.485 -2.207) 24.186 11.733 ( 5.346 23.485 -2.207) 24.186 16.985 ( -0.587 -44.672 0.711) 44.681 16.985 ( 0.587 -44.672 0.711) 44.681 17.245 ( -3.187 -41.669 -2.934) 41.894 17.245 ( 3.187 -41.669 -2.934) 41.894 18.980 ( -0.232 -17.475 0.751) 17.492 18.980 ( 0.232 -17.475 0.751) 17.492 19.119 ( -1.266 -18.454 -0.421) 18.502 19.119 ( 1.266 -18.454 -0.421) 18.502 19.858 ( -1.369 0.482 10.418) 10.519 19.858 ( 1.369 0.482 10.418) 10.519 20.054 ( -0.352 -18.055 1.211) 18.099 20.054 ( 0.352 -18.055 1.211) 18.099 20.292 ( -0.947 -5.970 -0.977) 6.123 20.292 ( 0.947 -5.970 -0.977) 6.123 21.027 ( -0.449 7.104 -2.382) 7.506 21.027 ( 0.449 7.104 -2.382) 7.506 22.201 ( -5.887 50.041 2.123) 50.430 22.201 ( 5.887 50.041 2.123) 50.430 22.598 ( -2.343 41.864 -1.097) 41.944 22.598 ( 2.343 41.864 -1.097) 41.944 30.101 ( -1.720 -56.510 0.970) 56.545 30.101 ( 1.720 -56.510 0.970) 56.545 30.338 ( -0.818 -57.018 -1.088) 57.034 30.338 ( 0.818 -57.018 -1.088) 57.034 35.175 ( -0.895 30.715 2.657) 30.843 35.175 ( 0.895 30.715 2.657) 30.843 36.105 ( -1.275 40.851 2.122) 40.926 36.105 ( 1.275 40.851 2.122) 40.926 36.464 ( -34.072 56.698 -9.477) 66.823 36.464 ( 34.072 56.698 -9.477) 66.823 36.655 ( -2.502 49.361 -3.028) 49.517 36.655 ( 2.502 49.361 -3.028) 49.517 41.705 ( -5.985 -0.821 5.526) 8.187 41.705 ( 5.985 -0.821 5.526) 8.187 42.654 ( -1.361 -3.844 1.869) 4.486 42.654 ( 1.361 -3.844 1.869) 4.486 43.360 ( -2.701 -10.321 -8.385) 13.569 43.360 ( 2.701 -10.321 -8.385) 13.569 44.514 ( -39.593 -46.665 -24.444) 65.899 44.514 ( 39.593 -46.665 -24.444) 65.899 ======================= Grid point 70 (28/90) ======================= q-point: ( 0.00 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 19.144 9.565) 21.401 2.296 ( 0.000 18.995 1.802) 19.080 2.332 ( 0.000 7.298 4.947) 8.817 2.461 ( 0.000 28.598 3.575) 28.821 2.653 ( 0.000 10.357 -2.320) 10.614 3.042 ( 0.000 5.377 -1.702) 5.640 3.077 ( 0.000 7.254 -0.294) 7.260 3.198 ( 0.000 9.934 -0.375) 9.941 3.524 ( 0.000 9.794 -5.605) 11.284 3.528 ( 0.000 1.373 -4.620) 4.820 3.732 ( 0.000 4.457 0.705) 4.512 3.870 ( 0.000 -17.338 1.537) 17.406 3.881 ( 0.000 8.555 -4.278) 9.565 3.951 ( 0.000 -11.879 -5.967) 13.294 4.097 ( 0.000 14.052 3.050) 14.379 4.301 ( 0.000 -5.642 -2.854) 6.323 4.321 ( 0.000 -6.838 0.095) 6.839 4.463 ( 0.000 -12.324 -3.230) 12.740 4.699 ( 0.000 -4.237 0.690) 4.293 4.988 ( 0.000 -9.517 -0.448) 9.528 5.451 ( 0.000 3.334 -1.497) 3.654 5.606 ( 0.000 5.085 2.811) 5.810 5.644 ( 0.000 -3.428 4.012) 5.277 5.680 ( 0.000 11.237 0.741) 11.261 5.820 ( 0.000 -0.349 7.702) 7.710 6.033 ( 0.000 9.963 0.200) 9.965 6.480 ( 0.000 21.741 -2.134) 21.845 6.641 ( 0.000 11.646 -10.326) 15.565 6.741 ( 0.000 0.234 2.973) 2.982 7.039 ( 0.000 11.733 4.802) 12.677 7.071 ( 0.000 2.341 4.270) 4.870 7.250 ( 0.000 6.267 15.211) 16.452 7.489 ( 0.000 0.599 -1.091) 1.244 7.723 ( 0.000 -0.239 -1.777) 1.793 8.456 ( 0.000 -8.005 -3.822) 8.871 8.596 ( 0.000 -3.225 -2.562) 4.119 10.268 ( 0.000 64.080 0.593) 64.082 10.326 ( 0.000 61.043 0.594) 61.046 10.446 ( 0.000 56.064 0.419) 56.065 10.612 ( 0.000 51.085 -1.474) 51.106 11.737 ( 0.000 18.378 0.151) 18.378 11.832 ( 0.000 23.545 -2.202) 23.648 11.959 ( 0.000 26.215 3.977) 26.515 12.481 ( 0.000 30.514 -2.070) 30.584 16.072 ( 0.000 -41.832 0.721) 41.838 16.124 ( 0.000 -36.694 0.943) 36.706 16.274 ( 0.000 -41.339 -0.964) 41.350 16.472 ( 0.000 -40.262 -3.448) 40.410 18.340 ( 0.000 -41.640 0.561) 41.643 18.365 ( 0.000 -41.862 0.587) 41.866 18.458 ( 0.000 -40.374 -0.275) 40.375 18.521 ( 0.000 -42.173 -0.556) 42.177 19.776 ( 0.000 -7.530 2.496) 7.933 19.787 ( 0.000 -6.453 2.047) 6.770 19.842 ( 0.000 -0.645 7.261) 7.289 19.858 ( 0.000 -2.192 9.210) 9.467 20.265 ( 0.000 4.436 -2.070) 4.895 20.300 ( 0.000 3.916 -1.924) 4.363 21.042 ( 0.000 -3.349 -3.205) 4.636 21.047 ( 0.000 -3.343 -3.245) 4.659 23.165 ( 0.000 54.282 1.792) 54.312 23.527 ( 0.000 52.242 -0.847) 52.249 23.562 ( 0.000 50.862 0.207) 50.862 23.658 ( 0.000 47.530 -0.567) 47.534 28.873 ( 0.000 -55.443 1.029) 55.452 28.973 ( 0.000 -55.324 0.619) 55.328 29.098 ( 0.000 -58.075 -0.788) 58.080 29.159 ( 0.000 -57.616 -1.038) 57.626 35.834 ( 0.000 33.633 3.338) 33.798 35.905 ( 0.000 34.578 5.386) 34.995 36.797 ( 0.000 28.263 3.205) 28.444 36.797 ( 0.000 43.110 -5.102) 43.411 36.882 ( 0.000 28.786 2.807) 28.923 37.509 ( 0.000 35.450 -2.757) 35.557 37.595 ( 0.000 39.792 -3.428) 39.940 39.118 ( 0.000 4.241 -32.303) 32.581 41.533 ( 0.000 4.211 3.688) 5.598 41.747 ( 0.000 5.093 -1.009) 5.192 41.881 ( 0.000 2.462 5.398) 5.933 42.492 ( 0.000 -5.437 2.882) 6.154 42.829 ( 0.000 -2.833 -3.371) 4.403 43.118 ( 0.000 -14.744 -2.705) 14.990 43.234 ( 0.000 -12.283 -2.463) 12.527 44.326 ( 0.000 -41.033 -14.349) 43.470 ======================= Grid point 71 (29/90) ======================= q-point: ( 0.25 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 8.228 18.688 7.866) 21.882 2.170 ( -9.906 17.394 1.758) 20.094 2.378 ( 2.541 10.171 3.704) 11.119 2.478 ( 1.229 21.215 3.016) 21.463 2.650 ( 0.575 11.598 -0.879) 11.646 2.930 ( -9.217 5.596 -1.365) 10.868 3.123 ( 5.543 9.483 0.897) 11.020 3.305 ( 7.118 7.562 -2.833) 10.764 3.432 ( -5.900 5.263 -4.007) 8.863 3.500 ( -2.195 6.624 -4.341) 8.218 3.825 ( 2.389 -2.125 -0.238) 3.207 3.851 ( 4.246 -1.201 -1.431) 4.639 3.978 ( 4.899 5.503 -1.574) 7.534 4.015 ( 4.880 -10.455 -3.374) 12.021 4.098 ( 0.150 4.529 -0.280) 4.540 4.220 ( -7.147 -5.832 5.271) 10.625 4.266 ( -3.068 -7.021 -4.184) 8.730 4.372 ( -6.114 -3.541 -4.359) 8.302 4.767 ( 3.712 -3.022 2.001) 5.188 4.949 ( -2.972 -6.916 -0.479) 7.543 5.503 ( 2.999 0.983 0.218) 3.164 5.636 ( 4.417 0.469 1.776) 4.784 5.679 ( 3.481 2.412 2.780) 5.066 5.709 ( -0.768 -0.369 2.135) 2.299 5.911 ( 7.987 4.340 3.946) 9.910 6.037 ( 2.843 8.659 0.412) 9.123 6.308 ( -14.326 12.385 -1.172) 18.974 6.495 ( -8.370 13.282 -5.050) 16.491 6.863 ( 5.356 6.924 0.702) 8.782 7.001 ( -2.234 9.881 4.174) 10.956 7.122 ( 3.030 7.838 4.478) 9.522 7.237 ( -1.313 5.641 11.497) 12.874 7.537 ( 3.804 0.677 -0.611) 3.912 7.695 ( -2.612 -0.172 -1.596) 3.066 8.466 ( 1.060 -8.229 -3.562) 9.029 8.559 ( -2.917 -5.537 -2.556) 6.760 10.287 ( 1.996 63.482 0.573) 63.516 10.331 ( 0.694 60.316 0.628) 60.323 10.417 ( -2.476 56.604 0.427) 56.660 10.506 ( -7.782 55.415 -0.529) 55.961 11.853 ( 2.361 22.900 -1.208) 23.053 11.923 ( 13.138 19.489 -0.655) 23.513 11.947 ( -0.277 25.855 2.844) 26.013 12.419 ( -6.100 28.219 -2.098) 28.947 16.080 ( 0.687 -40.985 0.773) 40.998 16.116 ( -0.704 -37.347 0.941) 37.366 16.302 ( 2.558 -41.028 -1.272) 41.127 16.442 ( -2.696 -40.245 -3.014) 40.447 18.347 ( 0.612 -41.552 0.568) 41.560 18.366 ( -0.017 -41.668 0.597) 41.673 18.466 ( 0.771 -40.809 -0.353) 40.817 18.511 ( -0.863 -42.037 -0.535) 42.049 19.777 ( 0.124 -7.330 2.462) 7.733 19.785 ( -0.155 -6.583 2.145) 6.925 19.843 ( 0.147 -0.818 7.431) 7.477 19.855 ( -0.308 -1.875 8.802) 9.005 20.271 ( 0.462 4.359 -2.038) 4.834 20.295 ( -0.446 3.990 -1.935) 4.457 21.043 ( 0.028 -3.302 -3.222) 4.613 21.046 ( -0.105 -3.297 -3.251) 4.631 23.201 ( 3.616 54.712 1.735) 54.859 23.475 ( -6.015 53.892 0.546) 54.230 23.558 ( 0.361 50.116 -0.819) 50.124 23.615 ( -2.501 48.513 -0.485) 48.579 28.889 ( 1.396 -55.433 0.970) 55.459 28.959 ( -1.248 -55.351 0.687) 55.369 29.107 ( 0.778 -58.045 -0.836) 58.056 29.149 ( -0.839 -57.708 -1.006) 57.723 35.844 ( 0.904 33.747 3.592) 33.950 35.894 ( -1.008 34.410 5.053) 34.793 36.810 ( 1.264 28.408 3.020) 28.596 36.870 ( -0.944 28.523 2.799) 28.675 36.965 ( 16.165 43.034 -6.071) 46.369 37.520 ( 0.939 36.120 -2.860) 36.245 37.583 ( -0.986 39.127 -3.376) 39.285 38.420 ( -48.853 24.891 -20.309) 58.469 41.615 ( 4.269 3.185 3.819) 6.554 41.825 ( -4.109 2.497 4.967) 6.913 42.302 ( 32.109 -10.085 -5.276) 34.067 42.524 ( 2.633 -4.771 2.204) 5.878 42.894 ( 9.274 -8.197 -7.368) 14.404 43.121 ( 0.058 -14.793 -3.597) 15.225 43.266 ( 5.506 -13.971 -1.939) 15.141 44.163 ( -15.743 -39.814 -14.144) 45.090 ======================= Grid point 72 (30/90) ======================= q-point: (-0.50 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -12.404 17.774 4.549) 22.146 1.924 ( 12.404 17.774 4.549) 22.146 2.450 ( -3.663 11.384 0.635) 11.976 2.450 ( 3.663 11.384 0.635) 11.976 2.736 ( -7.767 12.026 1.706) 14.417 2.736 ( 7.767 12.026 1.706) 14.417 3.280 ( -8.003 7.852 -2.237) 11.433 3.280 ( 8.003 7.852 -2.237) 11.433 3.436 ( -4.193 5.602 -3.690) 7.910 3.436 ( 4.193 5.602 -3.690) 7.910 3.883 ( -3.434 -3.575 -1.271) 5.117 3.883 ( 3.434 -3.575 -1.271) 5.117 4.050 ( -3.215 5.321 3.367) 7.071 4.050 ( 3.215 5.321 3.367) 7.071 4.129 ( -2.128 -6.424 -6.737) 9.549 4.129 ( 2.128 -6.424 -6.737) 9.549 4.251 ( -3.823 -3.408 0.904) 5.201 4.251 ( 3.823 -3.408 0.904) 5.201 4.857 ( -5.241 -2.351 0.645) 5.781 4.857 ( 5.241 -2.351 0.645) 5.781 5.592 ( -5.670 1.374 2.014) 6.172 5.592 ( 5.670 1.374 2.014) 6.172 5.754 ( -2.855 -5.447 1.703) 6.381 5.754 ( 2.855 -5.447 1.703) 6.381 6.025 ( -9.772 8.761 0.522) 13.135 6.025 ( 9.772 8.761 0.522) 13.135 6.265 ( -13.459 10.826 -1.661) 17.352 6.265 ( 13.459 10.826 -1.661) 17.352 6.947 ( -3.088 9.416 2.448) 10.207 6.947 ( 3.088 9.416 2.448) 10.207 7.188 ( -3.179 8.397 6.966) 11.364 7.188 ( 3.179 8.397 6.966) 11.364 7.622 ( -4.063 0.123 -1.051) 4.198 7.622 ( 4.063 0.123 -1.051) 4.198 8.501 ( -2.309 -8.040 -2.954) 8.871 8.501 ( 2.309 -8.040 -2.954) 8.871 10.357 ( -3.801 59.449 0.270) 59.571 10.357 ( 3.801 59.449 0.270) 59.571 10.367 ( -3.780 59.938 0.625) 60.060 10.367 ( 3.780 59.938 0.625) 60.060 11.905 ( -2.408 24.302 1.007) 24.442 11.905 ( 2.408 24.302 1.007) 24.442 12.223 ( -12.600 23.051 -1.901) 26.338 12.223 ( 12.600 23.051 -1.901) 26.338 16.098 ( -0.983 -39.074 0.879) 39.096 16.098 ( 0.983 -39.074 0.879) 39.096 16.371 ( -3.731 -40.467 -2.077) 40.692 16.371 ( 3.731 -40.467 -2.077) 40.692 18.360 ( -0.527 -41.462 0.589) 41.470 18.360 ( 0.527 -41.462 0.589) 41.470 18.488 ( -1.215 -41.578 -0.470) 41.599 18.488 ( 1.215 -41.578 -0.470) 41.599 19.781 ( -0.205 -6.920 2.338) 7.307 19.781 ( 0.205 -6.920 2.338) 7.307 19.848 ( -0.305 -1.274 7.995) 8.102 19.848 ( 0.305 -1.274 7.995) 8.102 20.283 ( -0.643 4.174 -1.976) 4.663 20.283 ( 0.643 4.174 -1.976) 4.663 21.044 ( -0.093 -3.252 -3.248) 4.597 21.044 ( 0.093 -3.252 -3.248) 4.597 23.318 ( -7.400 55.056 1.406) 55.569 23.318 ( 7.400 55.056 1.406) 55.569 23.577 ( -1.340 49.638 -0.734) 49.662 23.577 ( 1.340 49.638 -0.734) 49.662 28.925 ( -1.878 -55.401 0.831) 55.439 28.925 ( 1.878 -55.401 0.831) 55.439 29.128 ( -1.132 -57.905 -0.927) 57.923 29.128 ( 1.132 -57.905 -0.927) 57.923 35.868 ( -1.330 34.053 4.281) 34.347 35.868 ( 1.330 34.053 4.281) 34.347 36.842 ( -1.601 28.464 2.961) 28.662 36.842 ( 1.601 28.464 2.961) 28.662 37.474 ( -25.140 39.714 -8.142) 47.702 37.474 ( 25.140 39.714 -8.142) 47.702 37.581 ( -8.823 37.534 -5.481) 38.945 37.581 ( 8.823 37.534 -5.481) 38.945 41.719 ( -5.480 2.633 4.712) 7.692 41.719 ( 5.480 2.633 4.712) 7.692 42.564 ( -0.631 -4.659 0.566) 4.735 42.564 ( 0.631 -4.659 0.566) 4.735 43.094 ( -3.766 -14.910 -6.835) 16.829 43.094 ( 3.766 -14.910 -6.835) 16.829 43.677 ( -29.040 -32.142 -11.176) 44.736 43.677 ( 29.040 -32.142 -11.176) 44.736 ======================= Grid point 75 (31/90) ======================= q-point: ( 0.00 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 0.000 19.138 4.267) 19.608 2.524 ( 0.000 11.129 3.842) 11.774 2.692 ( 0.000 18.005 -6.314) 19.080 2.881 ( 0.000 8.016 2.223) 8.318 2.884 ( 0.000 11.249 -5.172) 12.382 3.162 ( 0.000 5.915 -2.375) 6.374 3.260 ( 0.000 10.506 5.826) 12.014 3.336 ( 0.000 2.304 -3.654) 4.320 3.487 ( 0.000 -13.057 -1.400) 13.132 3.545 ( 0.000 -4.530 -3.938) 6.002 3.644 ( 0.000 2.198 -0.223) 2.209 3.755 ( 0.000 -1.478 -0.773) 1.668 3.844 ( 0.000 3.128 -0.851) 3.242 3.958 ( 0.000 -0.309 -12.367) 12.371 4.139 ( 0.000 -9.734 -4.371) 10.670 4.232 ( 0.000 -5.538 -2.500) 6.076 4.269 ( 0.000 2.283 1.727) 2.862 4.349 ( 0.000 5.158 4.986) 7.174 4.619 ( 0.000 -2.977 3.049) 4.261 4.794 ( 0.000 -8.333 6.380) 10.494 5.489 ( 0.000 0.196 -0.158) 0.252 5.622 ( 0.000 1.423 -1.147) 1.828 5.626 ( 0.000 -1.132 4.818) 4.949 5.808 ( 0.000 1.200 0.597) 1.340 5.892 ( 0.000 7.575 8.376) 11.293 6.283 ( 0.000 13.385 -0.382) 13.390 6.596 ( 0.000 -6.063 -4.432) 7.510 6.758 ( 0.000 1.375 3.668) 3.917 6.778 ( 0.000 1.792 -5.227) 5.526 7.087 ( 0.000 -3.568 8.319) 9.052 7.128 ( 0.000 3.142 4.708) 5.660 7.333 ( 0.000 0.705 6.545) 6.583 7.522 ( 0.000 2.482 -2.122) 3.265 7.667 ( 0.000 -3.967 -1.622) 4.286 8.297 ( 0.000 -6.530 -3.921) 7.617 8.474 ( 0.000 -8.174 -3.612) 8.937 11.726 ( 0.000 65.270 0.442) 65.271 11.762 ( 0.000 68.948 0.353) 68.949 11.770 ( 0.000 69.220 0.401) 69.221 11.895 ( 0.000 65.687 -0.619) 65.690 12.163 ( 0.000 21.994 0.478) 21.999 12.354 ( 0.000 25.676 -2.752) 25.823 12.521 ( 0.000 26.666 4.073) 26.975 13.051 ( 0.000 23.256 -2.110) 23.352 15.320 ( 0.000 -27.167 0.638) 27.175 15.471 ( 0.000 -24.700 0.151) 24.701 15.515 ( 0.000 -28.176 -0.195) 28.177 15.733 ( 0.000 -27.962 -1.930) 28.028 17.310 ( 0.000 -55.000 0.495) 55.002 17.317 ( 0.000 -56.506 0.416) 56.508 17.427 ( 0.000 -56.462 -0.352) 56.463 17.456 ( 0.000 -57.692 -0.542) 57.694 19.706 ( 0.000 -0.401 3.585) 3.607 19.729 ( 0.000 -0.315 3.078) 3.094 19.813 ( 0.000 -2.041 6.630) 6.937 19.819 ( 0.000 -1.601 6.114) 6.320 20.407 ( 0.000 8.294 -2.816) 8.759 20.434 ( 0.000 8.038 -2.559) 8.435 20.933 ( 0.000 -6.673 -3.524) 7.546 20.940 ( 0.000 -6.481 -3.590) 7.409 24.326 ( 0.000 56.096 1.352) 56.112 24.609 ( 0.000 51.257 -1.140) 51.270 24.640 ( 0.000 51.875 0.391) 51.876 24.676 ( 0.000 49.457 0.090) 49.457 27.741 ( 0.000 -53.076 0.832) 53.082 27.843 ( 0.000 -52.696 0.440) 52.698 27.903 ( 0.000 -56.106 -0.492) 56.108 27.971 ( 0.000 -55.773 -0.731) 55.778 36.502 ( 0.000 29.119 4.470) 29.460 36.591 ( 0.000 29.976 5.565) 30.488 37.213 ( 0.000 11.227 3.923) 11.893 37.316 ( 0.000 12.240 3.367) 12.695 37.566 ( 0.000 29.994 -4.968) 30.403 38.063 ( 0.000 17.119 -3.291) 17.432 38.299 ( 0.000 27.409 -5.151) 27.889 39.121 ( 0.000 -3.099 -18.691) 18.946 41.696 ( 0.000 11.482 4.014) 12.163 41.882 ( 0.000 7.552 -0.052) 7.552 41.993 ( 0.000 8.387 2.083) 8.642 42.368 ( 0.000 -6.455 2.101) 6.788 42.746 ( 0.000 -8.386 -2.847) 8.856 42.784 ( 0.000 -15.081 -1.112) 15.122 42.984 ( 0.000 -9.463 -1.836) 9.639 43.588 ( 0.000 -28.731 -9.342) 30.212 ======================= Grid point 76 (32/90) ======================= q-point: ( 0.25 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 7.233 18.458 3.022) 20.054 2.521 ( -5.564 15.411 -2.889) 16.637 2.595 ( -2.265 11.319 1.567) 11.649 2.807 ( -6.324 10.492 -3.817) 12.832 2.911 ( 2.766 8.882 2.029) 9.521 3.104 ( -4.825 10.011 -0.112) 11.114 3.320 ( 4.469 6.816 1.820) 8.352 3.384 ( 3.661 1.502 -4.665) 6.117 3.480 ( 0.735 -4.630 -3.215) 5.684 3.540 ( -0.222 -2.998 -2.157) 3.700 3.655 ( -0.395 -0.294 -1.293) 1.384 3.839 ( 6.279 -4.982 -0.020) 8.015 3.895 ( 3.263 -1.033 -0.918) 3.543 3.958 ( -7.408 -4.911 -1.922) 9.093 4.042 ( 4.031 -1.740 -8.861) 9.889 4.239 ( -2.360 3.044 2.556) 4.623 4.282 ( -1.006 -4.474 -5.693) 7.311 4.293 ( -2.648 3.945 3.031) 5.636 4.707 ( 5.516 -2.563 3.416) 6.976 4.791 ( -0.182 -7.498 4.696) 8.849 5.524 ( 2.948 0.823 0.584) 3.116 5.624 ( 2.446 1.596 1.124) 3.130 5.686 ( 3.811 -0.564 5.173) 6.450 5.734 ( -4.627 2.680 5.197) 7.457 6.003 ( 5.936 2.518 1.121) 6.544 6.251 ( 0.356 11.306 -0.061) 11.312 6.354 ( -14.714 -3.337 -0.111) 15.088 6.678 ( -8.902 3.609 -4.382) 10.558 6.927 ( 7.490 0.005 1.503) 7.639 7.092 ( -0.439 -0.639 5.517) 5.571 7.167 ( 4.168 -0.044 5.271) 6.720 7.312 ( -1.637 0.382 5.271) 5.533 7.557 ( 2.619 1.339 -1.499) 3.301 7.654 ( -1.330 -2.945 -1.675) 3.640 8.302 ( 0.529 -6.917 -3.758) 7.890 8.412 ( -4.728 -8.062 -3.380) 9.939 11.727 ( -0.072 63.537 0.414) 63.538 11.749 ( -1.321 69.422 0.395) 69.436 11.762 ( 0.286 69.077 0.291) 69.078 11.855 ( -2.981 67.303 -0.333) 67.370 12.315 ( 10.930 21.549 -0.081) 24.163 12.409 ( 6.027 26.151 -1.651) 26.887 12.506 ( -1.302 27.191 3.077) 27.396 12.952 ( -9.314 22.215 -1.885) 24.162 15.348 ( 2.410 -26.289 0.656) 26.407 15.455 ( -1.626 -24.227 0.641) 24.290 15.544 ( 2.875 -28.812 -0.865) 28.968 15.701 ( -2.904 -28.161 -1.781) 28.366 17.314 ( 0.359 -55.349 0.493) 55.353 17.320 ( 0.181 -56.468 0.433) 56.470 17.430 ( 0.346 -56.482 -0.401) 56.484 17.452 ( -0.439 -57.405 -0.533) 57.409 19.709 ( 0.288 -0.392 3.524) 3.557 19.725 ( -0.304 -0.334 3.170) 3.203 19.814 ( 0.060 -1.953 6.520) 6.806 19.818 ( -0.077 -1.645 6.160) 6.376 20.411 ( 0.366 8.257 -2.777) 8.719 20.430 ( -0.351 8.075 -2.595) 8.489 20.934 ( 0.088 -6.633 -3.539) 7.519 20.939 ( -0.091 -6.497 -3.586) 7.422 24.363 ( 3.554 55.818 1.247) 55.945 24.593 ( -4.618 52.904 0.323) 53.106 24.617 ( 0.242 50.798 -0.815) 50.805 24.652 ( -1.188 50.228 0.040) 50.242 27.756 ( 1.392 -53.065 0.772) 53.089 27.829 ( -1.338 -52.804 0.501) 52.824 27.912 ( 0.861 -56.052 -0.530) 56.061 27.961 ( -0.955 -55.817 -0.695) 55.829 36.514 ( 1.110 29.226 4.599) 29.607 36.577 ( -1.289 29.817 5.379) 30.326 37.228 ( 1.387 11.320 3.806) 12.023 37.299 ( -1.416 12.023 3.369) 12.567 37.715 ( 14.073 28.463 -5.775) 32.273 38.096 ( 2.957 18.531 -3.556) 19.099 38.264 ( -3.138 25.732 -4.886) 26.380 38.757 ( -28.783 8.688 -14.206) 33.253 41.748 ( 3.416 9.939 3.916) 11.215 41.935 ( -4.446 8.056 2.725) 9.596 42.171 ( 21.653 -2.423 -2.551) 21.937 42.422 ( 4.044 -4.860 1.084) 6.415 42.744 ( -0.022 -8.548 -3.056) 9.077 42.785 ( -0.058 -16.460 -1.575) 16.536 42.998 ( 2.355 -10.305 -2.141) 10.785 43.468 ( -11.252 -26.231 -8.673) 29.831 ======================= Grid point 77 (33/90) ======================= q-point: (-0.50 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -11.677 17.265 0.027) 20.843 2.294 ( 11.677 17.265 0.027) 20.843 2.669 ( -5.949 9.072 -1.806) 10.998 2.669 ( 5.949 9.072 -1.806) 10.998 2.994 ( -4.981 10.849 3.106) 12.335 2.994 ( 4.981 10.849 3.106) 12.335 3.405 ( -2.476 0.150 -4.589) 5.217 3.405 ( 2.476 0.150 -4.589) 5.217 3.516 ( -2.134 5.621 -3.814) 7.120 3.516 ( 2.134 5.621 -3.814) 7.120 3.730 ( -8.339 -9.516 2.146) 12.834 3.730 ( 8.339 -9.516 2.146) 12.834 3.951 ( -0.520 -3.415 -0.843) 3.556 3.951 ( 0.520 -3.415 -0.843) 3.556 4.171 ( -5.370 1.409 -4.933) 7.427 4.171 ( 5.370 1.409 -4.933) 7.427 4.247 ( -1.941 1.632 0.056) 2.537 4.247 ( 1.941 1.632 0.056) 2.537 4.780 ( -1.476 -4.864 2.988) 5.897 4.780 ( 1.476 -4.864 2.988) 5.897 5.609 ( -5.138 1.589 4.694) 7.138 5.609 ( 5.138 1.589 4.694) 7.138 5.720 ( -3.270 1.570 2.486) 4.398 5.720 ( 3.270 1.570 2.486) 4.398 6.095 ( -7.995 -0.000 0.918) 8.048 6.095 ( 7.995 -0.000 0.918) 8.048 6.426 ( -13.356 4.630 -2.226) 14.310 6.426 ( 13.356 4.630 -2.226) 14.310 7.045 ( -3.991 1.235 3.516) 5.460 7.045 ( 3.991 1.235 3.516) 5.460 7.261 ( -3.628 -0.713 4.338) 5.700 7.261 ( 3.628 -0.713 4.338) 5.700 7.612 ( -2.477 -0.762 -1.586) 3.039 7.612 ( 2.477 -0.762 -1.586) 3.039 8.330 ( -2.548 -7.700 -3.397) 8.794 8.330 ( 2.548 -7.700 -3.397) 8.794 11.727 ( -0.457 65.446 0.481) 65.450 11.727 ( 0.457 65.446 0.481) 65.450 11.794 ( -2.516 69.302 -0.003) 69.348 11.794 ( 2.516 69.302 -0.003) 69.348 12.445 ( -3.519 27.403 0.867) 27.642 12.445 ( 3.519 27.403 0.867) 27.642 12.685 ( -15.195 20.958 -1.234) 25.916 12.685 ( 15.195 20.958 -1.234) 25.916 15.406 ( -2.851 -24.877 0.721) 25.050 15.406 ( 2.851 -24.877 0.721) 25.050 15.623 ( -4.217 -28.614 -1.401) 28.957 15.623 ( 4.217 -28.614 -1.401) 28.957 17.321 ( -0.163 -56.066 0.471) 56.068 17.321 ( 0.163 -56.066 0.471) 56.068 17.440 ( -0.570 -56.809 -0.488) 56.814 17.440 ( 0.570 -56.809 -0.488) 56.814 19.717 ( -0.418 -0.367 3.363) 3.408 19.717 ( 0.418 -0.367 3.363) 3.408 19.816 ( -0.096 -1.777 6.308) 6.555 19.816 ( 0.096 -1.777 6.308) 6.555 20.420 ( -0.507 8.165 -2.685) 8.610 20.420 ( 0.507 8.165 -2.685) 8.610 20.936 ( -0.127 -6.553 -3.569) 7.463 20.936 ( 0.127 -6.553 -3.569) 7.463 24.468 ( -6.187 54.617 0.903) 54.974 24.468 ( 6.187 54.617 0.903) 54.974 24.631 ( -0.901 50.782 -0.456) 50.792 24.631 ( 0.901 50.782 -0.456) 50.792 27.793 ( -1.928 -52.983 0.635) 53.022 27.793 ( 1.928 -52.983 0.635) 53.022 27.936 ( -1.286 -55.930 -0.611) 55.948 27.936 ( 1.286 -55.930 -0.611) 55.948 36.544 ( -1.659 29.499 4.960) 29.959 36.544 ( 1.659 29.499 4.960) 29.959 37.264 ( -1.842 11.568 3.577) 12.248 37.264 ( 1.842 11.568 3.577) 12.248 38.127 ( -18.327 22.801 -7.420) 30.180 38.127 ( 18.327 22.801 -7.420) 30.180 38.198 ( -4.025 21.491 -5.560) 22.561 38.198 ( 4.025 21.491 -5.560) 22.561 41.834 ( -4.735 8.607 3.613) 10.467 41.834 ( 4.735 8.607 3.613) 10.467 42.462 ( -3.149 -4.942 -0.996) 5.944 42.462 ( 3.149 -4.942 -0.996) 5.944 42.767 ( -1.857 -15.311 -3.238) 15.760 42.767 ( 1.857 -15.311 -3.238) 15.760 43.168 ( -14.512 -17.390 -5.593) 23.330 43.168 ( 14.512 -17.390 -5.593) 23.330 ======================= Grid point 80 (34/90) ======================= q-point: ( 0.00 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.000 18.373 1.092) 18.406 2.762 ( 0.000 -14.598 0.099) 14.598 2.793 ( 0.000 14.306 2.546) 14.531 3.003 ( 0.000 8.281 -12.452) 14.954 3.087 ( 0.000 6.396 -10.949) 12.680 3.142 ( 0.000 -13.080 0.874) 13.109 3.266 ( 0.000 3.358 -3.034) 4.526 3.341 ( 0.000 -3.316 -2.840) 4.366 3.498 ( 0.000 9.134 2.695) 9.524 3.583 ( 0.000 5.181 4.177) 6.655 3.634 ( 0.000 -2.557 2.826) 3.811 3.673 ( 0.000 -5.440 2.456) 5.969 3.924 ( 0.000 -2.020 -11.570) 11.745 3.939 ( 0.000 -3.265 -5.552) 6.441 4.003 ( 0.000 5.027 -1.875) 5.365 4.127 ( 0.000 -4.849 -0.349) 4.861 4.349 ( 0.000 3.787 1.168) 3.963 4.397 ( 0.000 -0.637 1.902) 2.006 4.592 ( 0.000 0.826 6.110) 6.165 4.655 ( 0.000 -4.892 8.565) 9.864 5.513 ( 0.000 2.599 3.509) 4.367 5.579 ( 0.000 -3.096 5.544) 6.350 5.677 ( 0.000 3.784 -0.814) 3.871 5.768 ( 0.000 -4.115 -0.083) 4.116 6.110 ( 0.000 12.443 2.030) 12.608 6.381 ( 0.000 -12.723 -2.454) 12.958 6.564 ( 0.000 12.431 -2.304) 12.643 6.741 ( 0.000 -4.512 -3.858) 5.937 6.806 ( 0.000 3.791 5.471) 6.656 6.948 ( 0.000 -8.757 6.949) 11.179 7.204 ( 0.000 4.110 4.878) 6.378 7.292 ( 0.000 -3.811 5.104) 6.370 7.578 ( 0.000 2.260 -2.401) 3.297 7.609 ( 0.000 -1.382 -1.982) 2.416 8.216 ( 0.000 -0.373 -3.796) 3.814 8.296 ( 0.000 -7.439 -3.741) 8.327 12.607 ( 0.000 17.939 0.723) 17.954 12.678 ( 0.000 19.654 0.695) 19.666 12.849 ( 0.000 18.742 -2.709) 18.937 12.865 ( 0.000 26.455 -1.611) 26.504 12.951 ( 0.000 31.449 1.596) 31.490 13.011 ( 0.000 17.058 3.274) 17.369 13.098 ( 0.000 40.909 -0.299) 40.910 13.398 ( 0.000 6.999 -1.450) 7.148 15.171 ( 0.000 19.918 0.307) 19.920 15.288 ( 0.000 16.416 -0.642) 16.429 15.317 ( 0.000 15.994 0.630) 16.006 15.477 ( 0.000 9.594 -1.057) 9.652 16.087 ( 0.000 -58.003 0.308) 58.004 16.132 ( 0.000 -54.702 0.354) 54.703 16.194 ( 0.000 -57.777 -0.545) 57.779 16.222 ( 0.000 -55.390 -0.348) 55.391 19.725 ( 0.000 1.760 4.455) 4.790 19.745 ( 0.000 1.510 4.030) 4.303 19.768 ( 0.000 -2.201 5.375) 5.809 19.782 ( 0.000 -1.867 4.996) 5.334 20.591 ( 0.000 9.015 -3.292) 9.597 20.612 ( 0.000 8.682 -3.100) 9.219 20.774 ( 0.000 -8.339 -3.511) 9.048 20.787 ( 0.000 -7.956 -3.510) 8.696 25.494 ( 0.000 55.421 0.929) 55.429 25.676 ( 0.000 50.998 -0.605) 51.002 25.715 ( 0.000 49.959 0.313) 49.960 25.727 ( 0.000 52.082 -0.078) 52.082 26.634 ( 0.000 -53.466 0.727) 53.471 26.757 ( 0.000 -52.661 -0.301) 52.662 26.767 ( 0.000 -51.141 0.307) 51.142 26.829 ( 0.000 -53.546 -0.408) 53.548 37.012 ( 0.000 18.996 4.915) 19.621 37.120 ( 0.000 19.803 4.779) 20.372 37.271 ( 0.000 -5.259 4.591) 6.981 37.388 ( 0.000 -5.167 3.993) 6.530 38.047 ( 0.000 16.028 -4.307) 16.596 38.228 ( 0.000 -0.906 -3.716) 3.824 38.749 ( 0.000 16.162 -7.751) 17.925 39.001 ( 0.000 -8.501 -11.777) 14.525 42.003 ( 0.000 17.228 2.735) 17.444 42.051 ( 0.000 8.398 0.657) 8.423 42.220 ( 0.000 -7.651 1.329) 7.766 42.226 ( 0.000 13.466 0.276) 13.469 42.388 ( 0.000 -18.901 0.693) 18.914 42.527 ( 0.000 -14.434 -1.021) 14.470 42.935 ( 0.000 4.072 -3.418) 5.316 43.132 ( 0.000 -15.145 -5.831) 16.228 ======================= Grid point 81 (35/90) ======================= q-point: ( 0.25 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 5.519 16.963 -0.329) 17.841 2.737 ( 0.128 -1.551 -2.387) 2.850 2.854 ( -8.851 12.916 -6.709) 17.034 2.893 ( 4.443 -1.032 0.060) 4.562 2.968 ( -7.160 3.354 -5.809) 9.811 3.147 ( -2.279 -12.970 0.037) 13.169 3.319 ( 2.955 5.811 -1.450) 6.679 3.387 ( 2.807 -2.179 -0.902) 3.666 3.522 ( 3.088 6.694 0.474) 7.387 3.595 ( 1.185 2.008 2.919) 3.736 3.664 ( -0.848 0.481 0.683) 1.190 3.691 ( 1.832 -3.735 -0.052) 4.160 3.858 ( -2.406 -2.730 -4.689) 5.935 3.905 ( -2.387 -3.445 -6.413) 7.662 4.077 ( 6.165 4.842 -4.208) 8.897 4.202 ( 3.585 -3.165 -5.375) 7.195 4.310 ( -2.543 2.446 2.541) 4.349 4.336 ( -3.919 0.789 3.230) 5.140 4.630 ( 2.513 -3.795 5.122) 6.852 4.694 ( 1.818 -1.640 7.054) 7.467 5.556 ( 3.919 2.404 4.103) 6.162 5.628 ( 4.422 -2.363 4.769) 6.920 5.716 ( 3.570 3.797 0.693) 5.257 5.782 ( -0.815 0.045 2.281) 2.423 6.051 ( -2.423 3.548 -0.025) 4.297 6.235 ( -10.007 -6.512 1.501) 12.033 6.496 ( -5.118 11.163 -2.060) 12.452 6.671 ( -8.112 -4.212 -4.232) 10.072 6.912 ( 7.537 -0.556 2.969) 8.119 7.004 ( 4.719 -4.533 6.173) 8.996 7.205 ( 0.064 2.775 4.627) 5.396 7.272 ( -1.712 -3.188 4.494) 5.770 7.586 ( 0.693 0.941 -2.288) 2.569 7.612 ( 0.012 -0.769 -1.695) 1.861 8.207 ( -0.626 -1.416 -3.768) 4.073 8.257 ( -3.039 -5.778 -3.659) 7.484 12.678 ( 0.339 21.444 0.647) 21.457 12.686 ( 4.796 15.585 0.460) 16.313 12.822 ( 0.337 22.261 -1.497) 22.314 12.881 ( -0.072 24.472 -0.322) 24.474 12.966 ( 2.309 29.400 0.309) 29.492 13.038 ( 1.892 21.288 1.804) 21.448 13.103 ( 0.364 34.929 -0.083) 34.931 13.317 ( -7.411 10.670 -1.059) 13.035 15.200 ( 2.406 18.802 0.268) 18.957 15.285 ( -0.774 15.625 0.247) 15.646 15.324 ( 1.311 15.695 -0.352) 15.754 15.446 ( -2.778 10.111 -0.981) 10.532 16.096 ( 0.773 -57.097 0.293) 57.103 16.127 ( -0.454 -54.819 0.336) 54.822 16.200 ( 0.521 -57.504 -0.513) 57.509 16.220 ( -0.245 -55.800 -0.370) 55.801 19.728 ( 0.236 1.700 4.409) 4.731 19.742 ( -0.293 1.475 4.136) 4.401 19.771 ( 0.206 -2.079 5.274) 5.673 19.780 ( -0.158 -1.890 5.034) 5.379 20.594 ( 0.282 8.956 -3.263) 9.536 20.609 ( -0.278 8.718 -3.127) 9.266 20.776 ( 0.191 -8.266 -3.514) 8.984 20.786 ( -0.161 -7.998 -3.513) 8.737 25.522 ( 2.617 54.854 0.827) 54.922 25.676 ( -1.588 50.845 -0.243) 50.871 25.686 ( -1.230 51.283 0.064) 51.298 25.714 ( -0.772 51.721 -0.112) 51.727 26.653 ( 1.727 -53.035 0.668) 53.067 26.745 ( -1.637 -51.135 0.275) 51.162 26.770 ( 0.770 -53.017 -0.205) 53.023 26.817 ( -1.022 -53.612 -0.377) 53.623 37.027 ( 1.307 19.066 4.881) 19.725 37.102 ( -1.603 19.547 4.794) 20.190 37.288 ( 1.509 -5.178 4.459) 6.998 37.369 ( -1.662 -5.102 4.046) 6.720 38.158 ( 10.290 13.983 -4.958) 18.055 38.296 ( 6.282 1.034 -4.184) 7.618 38.664 ( -7.568 12.867 -7.015) 16.493 38.819 ( -15.448 -2.265 -9.965) 18.522 42.023 ( 1.624 15.520 2.409) 15.790 42.134 ( -3.538 8.666 1.643) 9.504 42.178 ( 10.026 2.192 -0.401) 10.271 42.337 ( 4.221 -3.144 -0.103) 5.264 42.412 ( 2.967 -15.238 0.382) 15.529 42.522 ( -0.442 -12.993 -1.003) 13.040 42.912 ( -1.575 1.963 -3.415) 4.242 43.064 ( -6.107 -12.819 -5.368) 15.180 ======================= Grid point 82 (36/90) ======================= q-point: (-0.50 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -9.419 12.967 -3.390) 16.382 2.625 ( 9.419 12.967 -3.390) 16.382 2.813 ( -5.002 3.706 -6.779) 9.204 2.813 ( 5.002 3.706 -6.779) 9.204 3.042 ( -6.542 -5.761 4.039) 9.607 3.042 ( 6.542 -5.761 4.039) 9.607 3.387 ( -2.602 -0.135 0.415) 2.638 3.387 ( 2.602 -0.135 0.415) 2.638 3.598 ( -2.590 -0.392 -0.825) 2.746 3.598 ( 2.590 -0.392 -0.825) 2.746 3.659 ( -1.803 5.182 -0.664) 5.527 3.659 ( 1.803 5.182 -0.664) 5.527 3.868 ( -1.706 -5.088 -4.327) 6.894 3.868 ( 1.706 -5.088 -4.327) 6.894 4.199 ( -4.290 1.531 -6.410) 7.864 4.199 ( 4.290 1.531 -6.410) 7.864 4.284 ( -0.791 1.223 3.531) 3.819 4.284 ( 0.791 1.223 3.531) 3.819 4.685 ( -2.377 -3.176 5.126) 6.481 4.685 ( 2.377 -3.176 5.126) 6.481 5.669 ( -6.404 3.335 5.375) 9.001 5.669 ( 6.404 3.335 5.375) 9.001 5.744 ( -4.316 -0.325 2.558) 5.027 5.744 ( 4.316 -0.325 2.558) 5.027 6.080 ( -4.713 -0.641 0.833) 4.829 6.080 ( 4.713 -0.641 0.833) 4.829 6.482 ( -6.342 1.124 -2.844) 7.040 6.482 ( 6.342 1.124 -2.844) 7.040 7.038 ( -3.002 -0.949 3.090) 4.411 7.038 ( 3.002 -0.949 3.090) 4.411 7.226 ( -2.305 -1.366 4.527) 5.261 7.226 ( 2.305 -1.366 4.527) 5.261 7.603 ( -0.805 -0.094 -1.883) 2.050 7.603 ( 0.805 -0.094 -1.883) 2.050 8.207 ( -1.129 -3.367 -3.660) 5.100 8.207 ( 1.129 -3.367 -3.660) 5.100 12.700 ( -1.505 21.869 0.661) 21.931 12.700 ( 1.505 21.869 0.661) 21.931 12.871 ( -1.459 21.077 -0.753) 21.141 12.871 ( 1.459 21.077 -0.753) 21.141 13.052 ( -3.028 24.442 0.212) 24.629 13.052 ( 3.028 24.442 0.212) 24.629 13.139 ( -6.381 23.070 0.033) 23.936 13.139 ( 6.381 23.070 0.033) 23.936 15.252 ( -2.235 16.941 0.370) 17.092 15.252 ( 2.235 16.941 0.370) 17.092 15.377 ( -3.420 12.377 -0.810) 12.866 15.377 ( 3.420 12.377 -0.810) 12.866 16.114 ( -0.829 -55.603 0.299) 55.610 16.114 ( 0.829 -55.603 0.299) 55.610 16.212 ( -0.534 -56.714 -0.436) 56.718 16.212 ( 0.534 -56.714 -0.436) 56.718 19.734 ( -0.358 1.562 4.291) 4.580 19.734 ( 0.358 1.562 4.291) 4.580 19.776 ( -0.241 -1.956 5.134) 5.500 19.776 ( 0.241 -1.956 5.134) 5.500 20.602 ( -0.394 8.825 -3.195) 9.394 20.602 ( 0.394 8.825 -3.195) 9.394 20.781 ( -0.248 -8.117 -3.517) 8.850 20.781 ( 0.248 -8.117 -3.517) 8.850 25.596 ( -4.214 53.199 0.560) 53.369 25.596 ( 4.214 53.199 0.560) 53.369 25.697 ( -0.835 51.278 -0.302) 51.285 25.697 ( 0.835 51.278 -0.302) 51.285 26.699 ( -2.467 -51.988 0.509) 52.049 26.699 ( 2.467 -51.988 0.509) 52.049 26.792 ( -1.259 -53.409 -0.311) 53.424 26.792 ( 1.259 -53.409 -0.311) 53.424 37.062 ( -1.970 19.252 4.822) 19.945 37.062 ( 1.970 19.252 4.822) 19.945 37.328 ( -2.100 -5.127 4.227) 6.969 37.328 ( 2.100 -5.127 4.227) 6.969 38.439 ( -8.657 7.404 -6.475) 13.103 38.439 ( 8.657 7.404 -6.475) 13.103 38.487 ( -2.428 6.591 -5.964) 9.214 38.487 ( 2.428 6.591 -5.964) 9.214 42.069 ( -2.741 13.064 2.049) 13.504 42.069 ( 2.741 13.064 2.049) 13.504 42.341 ( -3.813 -8.578 -0.660) 9.411 42.341 ( 3.813 -8.578 -0.660) 9.411 42.497 ( -2.926 -8.037 -0.765) 8.587 42.497 ( 2.926 -8.037 -0.765) 8.587 42.930 ( -4.644 -5.563 -4.107) 8.329 42.930 ( 4.644 -5.563 -4.107) 8.329 ======================= Grid point 110 (37/90) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.000 0.000 22.078) 22.078 0.893 ( 0.000 0.000 22.904) 22.904 1.576 ( 0.000 0.000 33.896) 33.896 2.081 ( 0.000 0.000 24.393) 24.393 2.180 ( 0.000 0.000 7.800) 7.800 2.197 ( 0.000 0.000 -7.081) 7.081 2.258 ( 0.000 0.000 -10.133) 10.133 2.406 ( 0.000 0.000 1.787) 1.787 2.792 ( 0.000 0.000 -5.268) 5.268 3.051 ( 0.000 0.000 4.017) 4.017 3.176 ( 0.000 0.000 6.152) 6.152 3.579 ( 0.000 0.000 -3.268) 3.268 3.685 ( 0.000 0.000 5.356) 5.356 4.004 ( 0.000 0.000 -1.007) 1.007 4.079 ( 0.000 0.000 -14.172) 14.172 4.139 ( 0.000 0.000 -1.062) 1.062 4.533 ( 0.000 0.000 -2.033) 2.033 4.558 ( 0.000 0.000 0.987) 0.987 4.621 ( 0.000 0.000 -0.873) 0.873 4.670 ( 0.000 0.000 -0.486) 0.486 4.721 ( 0.000 0.000 -1.244) 1.244 4.836 ( 0.000 0.000 1.346) 1.346 5.171 ( 0.000 0.000 -14.306) 14.306 5.226 ( 0.000 0.000 -17.923) 17.923 5.584 ( 0.000 0.000 -3.178) 3.178 5.685 ( 0.000 0.000 7.937) 7.937 5.781 ( 0.000 0.000 -1.948) 1.948 6.147 ( 0.000 0.000 0.552) 0.552 6.273 ( 0.000 0.000 9.417) 9.417 6.854 ( 0.000 0.000 4.598) 4.598 7.207 ( 0.000 0.000 6.167) 6.167 7.284 ( 0.000 0.000 -14.275) 14.275 7.583 ( 0.000 0.000 9.752) 9.752 8.371 ( 0.000 0.000 6.675) 6.675 8.514 ( 0.000 0.000 1.018) 1.018 8.687 ( 0.000 0.000 -5.896) 5.896 9.045 ( 0.000 0.000 0.492) 0.492 9.109 ( 0.000 0.000 -0.910) 0.910 9.316 ( 0.000 0.000 1.989) 1.989 9.330 ( 0.000 0.000 0.273) 0.273 10.798 ( 0.000 0.000 0.976) 0.976 10.906 ( 0.000 0.000 -1.640) 1.640 11.093 ( 0.000 0.000 1.796) 1.796 11.196 ( 0.000 0.000 -0.651) 0.651 18.358 ( 0.000 0.000 0.916) 0.916 18.427 ( 0.000 0.000 0.878) 0.878 18.445 ( 0.000 0.000 -0.590) 0.590 18.494 ( 0.000 0.000 -0.640) 0.640 19.229 ( 0.000 0.000 0.921) 0.921 19.264 ( 0.000 0.000 0.680) 0.680 19.291 ( 0.000 0.000 -0.567) 0.567 19.337 ( 0.000 0.000 -0.606) 0.606 19.752 ( 0.000 0.000 9.741) 9.741 20.184 ( 0.000 0.000 -1.312) 1.312 20.233 ( 0.000 0.000 0.174) 0.174 20.243 ( 0.000 0.000 -0.494) 0.494 20.522 ( 0.000 0.000 0.755) 0.755 20.565 ( 0.000 0.000 0.526) 0.526 20.589 ( 0.000 0.000 -0.854) 0.854 20.632 ( 0.000 0.000 -0.715) 0.715 21.132 ( 0.000 0.000 7.060) 7.060 21.700 ( 0.000 0.000 1.369) 1.369 21.731 ( 0.000 0.000 -3.947) 3.947 21.838 ( 0.000 0.000 -1.615) 1.615 31.859 ( 0.000 0.000 0.631) 0.631 31.877 ( 0.000 0.000 0.345) 0.345 31.899 ( 0.000 0.000 -0.348) 0.348 31.908 ( 0.000 0.000 -0.145) 0.145 34.427 ( 0.000 0.000 0.239) 0.239 34.430 ( 0.000 0.000 0.189) 0.189 34.452 ( 0.000 0.000 -0.311) 0.311 34.457 ( 0.000 0.000 -0.340) 0.340 34.845 ( 0.000 0.000 0.947) 0.947 34.931 ( 0.000 0.000 -0.745) 0.745 34.999 ( 0.000 0.000 0.244) 0.244 35.007 ( 0.000 0.000 0.129) 0.129 41.533 ( 0.000 0.000 -0.760) 0.760 41.585 ( 0.000 0.000 -1.306) 1.306 42.297 ( 0.000 0.000 25.331) 25.331 42.769 ( 0.000 0.000 5.219) 5.219 42.877 ( 0.000 0.000 6.121) 6.121 43.432 ( 0.000 0.000 -11.118) 11.118 43.641 ( 0.000 0.000 -8.201) 8.201 45.619 ( 0.000 0.000 -47.984) 47.984 ======================= Grid point 111 (38/90) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 18.141 0.000 18.828) 26.146 1.289 ( 31.989 0.000 13.943) 34.895 1.895 ( -14.080 0.000 20.846) 25.156 2.020 ( 41.445 0.000 20.920) 46.426 2.112 ( -2.192 0.000 0.938) 2.384 2.217 ( -4.345 0.000 1.911) 4.747 2.323 ( 11.046 0.000 -3.799) 11.681 2.645 ( 8.802 0.000 -2.531) 9.158 2.753 ( -14.587 0.000 4.697) 15.324 2.868 ( -0.289 0.000 -0.066) 0.297 3.062 ( -3.015 0.000 1.034) 3.187 3.438 ( -11.772 0.000 -1.644) 11.886 3.523 ( -14.229 0.000 -3.185) 14.581 4.079 ( -2.573 0.000 1.644) 3.053 4.147 ( 5.235 0.000 -0.510) 5.260 4.286 ( -29.608 0.000 -4.741) 29.985 4.292 ( 7.540 0.000 -7.876) 10.903 4.494 ( 0.294 0.000 -1.425) 1.455 4.585 ( 1.806 0.000 1.976) 2.677 4.619 ( -9.244 0.000 1.852) 9.428 4.716 ( 3.588 0.000 -1.604) 3.930 4.820 ( 0.970 0.000 0.003) 0.970 4.882 ( -3.390 0.000 2.341) 4.120 5.097 ( -10.502 0.000 -12.185) 16.086 5.756 ( 4.448 0.000 2.143) 4.937 5.795 ( 1.122 0.000 -1.422) 1.811 5.910 ( 16.703 0.000 -7.588) 18.346 6.329 ( 4.183 0.000 -9.877) 10.727 6.331 ( 6.010 0.000 9.268) 11.047 6.755 ( -8.936 0.000 5.571) 10.530 7.186 ( 10.227 0.000 -0.898) 10.267 7.455 ( 5.499 0.000 -11.794) 13.012 7.647 ( 6.808 0.000 13.628) 15.234 8.276 ( -11.132 0.000 8.554) 14.039 8.546 ( 2.847 0.000 0.237) 2.857 8.670 ( -1.716 0.000 -4.356) 4.682 9.074 ( -1.889 0.000 0.104) 1.892 9.074 ( 2.882 0.000 -0.030) 2.882 9.215 ( -7.213 0.000 1.339) 7.337 9.268 ( -4.262 0.000 1.216) 4.433 10.863 ( 5.728 0.000 0.763) 5.779 10.939 ( 2.798 0.000 -1.092) 3.003 11.069 ( -2.227 0.000 1.352) 2.605 11.143 ( -4.910 0.000 -0.397) 4.926 18.367 ( 0.846 0.000 0.891) 1.229 18.416 ( -0.991 0.000 0.865) 1.315 18.449 ( 0.457 0.000 -0.548) 0.714 18.485 ( -0.778 0.000 -0.660) 1.020 19.236 ( 0.559 0.000 0.906) 1.065 19.261 ( -0.349 0.000 0.734) 0.812 19.299 ( 0.717 0.000 -0.556) 0.907 19.331 ( -0.517 0.000 -0.586) 0.781 19.763 ( 1.455 0.000 9.948) 10.054 20.065 ( -13.189 0.000 6.438) 14.676 20.186 ( 0.261 0.000 -1.272) 1.299 20.220 ( -1.081 0.000 -0.270) 1.114 20.530 ( 0.665 0.000 0.806) 1.045 20.560 ( -0.462 0.000 0.632) 0.783 20.609 ( 1.157 0.000 -0.833) 1.425 20.633 ( -0.011 0.000 -0.676) 0.676 21.141 ( 1.125 0.000 7.727) 7.809 21.413 ( -16.121 0.000 11.203) 19.632 21.744 ( 1.205 0.000 -3.796) 3.983 21.819 ( -1.661 0.000 -2.191) 2.750 31.867 ( 0.486 0.000 0.518) 0.711 31.878 ( 0.037 0.000 0.355) 0.357 31.902 ( 0.199 0.000 -0.293) 0.354 31.908 ( -0.043 0.000 -0.154) 0.160 34.427 ( -0.038 0.000 0.225) 0.228 34.429 ( -0.118 0.000 0.199) 0.231 34.452 ( -0.006 0.000 -0.319) 0.319 34.455 ( -0.124 0.000 -0.359) 0.380 34.870 ( 2.240 0.000 0.836) 2.391 34.945 ( 1.072 0.000 -0.712) 1.287 34.984 ( -2.074 0.000 0.258) 2.090 34.991 ( -0.769 0.000 0.092) 0.774 41.650 ( 10.475 0.000 3.152) 10.939 42.184 ( -10.036 0.000 20.800) 23.095 42.736 ( 63.314 0.000 -39.975) 74.877 42.796 ( 2.048 0.000 6.581) 6.892 42.867 ( -0.956 0.000 6.557) 6.626 43.410 ( -2.212 0.000 -12.031) 12.232 43.869 ( 30.386 0.000 -22.793) 37.985 45.450 ( -17.080 0.000 -51.729) 54.476 ======================= Grid point 112 (39/90) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -16.375 0.000 19.947) 25.808 1.565 ( 16.375 0.000 19.947) 25.808 1.966 ( -25.120 0.000 4.766) 25.569 1.966 ( 25.120 0.000 4.766) 25.569 2.201 ( -10.736 0.000 4.610) 11.683 2.201 ( 10.736 0.000 4.610) 11.683 2.597 ( -14.825 0.000 -2.687) 15.067 2.597 ( 14.825 0.000 -2.687) 15.067 3.055 ( -37.333 0.000 5.821) 37.784 3.055 ( 37.333 0.000 5.821) 37.784 3.136 ( -21.805 0.000 -3.993) 22.168 3.136 ( 21.805 0.000 -3.993) 22.168 3.287 ( -24.056 0.000 0.680) 24.066 3.287 ( 24.056 0.000 0.680) 24.066 4.266 ( -5.583 0.000 -4.667) 7.277 4.266 ( 5.583 0.000 -4.667) 7.277 4.399 ( -12.037 0.000 2.252) 12.246 4.399 ( 12.037 0.000 2.252) 12.246 4.589 ( -2.779 0.000 3.250) 4.276 4.589 ( 2.779 0.000 3.250) 4.276 4.848 ( -1.262 0.000 1.842) 2.233 4.848 ( 1.262 0.000 1.842) 2.233 4.857 ( -10.795 0.000 -7.393) 13.084 4.857 ( 10.795 0.000 -7.393) 13.084 5.808 ( -0.511 0.000 -0.917) 1.050 5.808 ( 0.511 0.000 -0.917) 1.050 6.210 ( -11.735 0.000 -8.951) 14.759 6.210 ( 11.735 0.000 -8.951) 14.759 6.525 ( -11.665 0.000 7.675) 13.964 6.525 ( 11.665 0.000 7.675) 13.964 7.448 ( -7.131 0.000 -12.816) 14.666 7.448 ( 7.131 0.000 -12.816) 14.666 7.917 ( -19.241 0.000 16.887) 25.600 7.917 ( 19.241 0.000 16.887) 25.600 8.615 ( -3.323 0.000 -1.689) 3.727 8.615 ( 3.323 0.000 -1.689) 3.727 9.098 ( -3.992 0.000 0.072) 3.992 9.098 ( 3.992 0.000 0.072) 3.992 9.163 ( -5.226 0.000 -0.031) 5.226 9.163 ( 5.226 0.000 -0.031) 5.226 11.007 ( -3.458 0.000 0.208) 3.464 11.007 ( 3.458 0.000 0.208) 3.464 11.008 ( -7.433 0.000 0.201) 7.435 11.008 ( 7.433 0.000 0.201) 7.435 18.391 ( -1.302 0.000 0.859) 1.559 18.391 ( 1.302 0.000 0.859) 1.559 18.465 ( -1.023 0.000 -0.630) 1.202 18.465 ( 1.023 0.000 -0.630) 1.202 19.250 ( -0.687 0.000 0.847) 1.091 19.250 ( 0.687 0.000 0.847) 1.091 19.316 ( -0.868 0.000 -0.557) 1.031 19.316 ( 0.868 0.000 -0.557) 1.031 19.842 ( -6.967 0.000 10.196) 12.349 19.842 ( 6.967 0.000 10.196) 12.349 20.198 ( -0.879 0.000 -0.965) 1.305 20.198 ( 0.879 0.000 -0.965) 1.305 20.546 ( -0.804 0.000 0.791) 1.128 20.546 ( 0.804 0.000 0.791) 1.128 20.627 ( -0.588 0.000 -0.605) 0.843 20.627 ( 0.588 0.000 -0.605) 0.843 21.201 ( -5.395 0.000 9.718) 11.115 21.201 ( 5.395 0.000 9.718) 11.115 21.779 ( -1.990 0.000 -3.203) 3.771 21.779 ( 1.990 0.000 -3.203) 3.771 31.875 ( -0.280 0.000 0.491) 0.565 31.875 ( 0.280 0.000 0.491) 0.565 31.906 ( -0.167 0.000 -0.201) 0.261 31.906 ( 0.167 0.000 -0.201) 0.261 34.427 ( -0.054 0.000 0.209) 0.216 34.427 ( 0.054 0.000 0.209) 0.216 34.453 ( -0.077 0.000 -0.368) 0.376 34.453 ( 0.077 0.000 -0.368) 0.376 34.929 ( -3.035 0.000 0.556) 3.086 34.929 ( 3.035 0.000 0.556) 3.086 34.970 ( -1.194 0.000 -0.294) 1.230 34.970 ( 1.194 0.000 -0.294) 1.230 41.921 ( -14.107 0.000 11.967) 18.499 41.921 ( 14.107 0.000 11.967) 18.499 42.838 ( -1.816 0.000 7.164) 7.391 42.838 ( 1.816 0.000 7.164) 7.391 43.318 ( -8.258 0.000 -17.126) 19.013 43.318 ( 8.258 0.000 -17.126) 19.013 44.838 ( -43.322 0.000 -57.575) 72.054 44.838 ( 43.322 0.000 -57.575) 72.054 ======================= Grid point 115 (40/90) ======================= q-point: ( 0.00 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 28.550 15.836) 32.648 1.416 ( 0.000 13.423 25.409) 28.737 2.035 ( 0.000 47.212 17.225) 50.256 2.057 ( 0.000 0.975 18.325) 18.351 2.258 ( 0.000 5.652 8.385) 10.112 2.414 ( 0.000 7.389 0.267) 7.394 2.430 ( 0.000 12.867 -5.652) 14.054 2.774 ( 0.000 20.696 -2.517) 20.849 2.919 ( 0.000 24.965 -9.778) 26.812 3.088 ( 0.000 2.910 3.352) 4.439 3.378 ( 0.000 14.196 6.538) 15.629 3.527 ( 0.000 -4.287 -2.966) 5.214 3.751 ( 0.000 4.485 5.688) 7.244 4.038 ( 0.000 -4.067 -16.565) 17.057 4.331 ( 0.000 28.687 -1.669) 28.736 4.448 ( 0.000 26.704 1.940) 26.774 4.488 ( 0.000 -7.475 2.850) 8.000 4.579 ( 0.000 -5.437 -0.062) 5.437 4.710 ( 0.000 -7.265 1.172) 7.359 4.763 ( 0.000 -1.988 -2.179) 2.950 4.805 ( 0.000 19.117 -14.883) 24.227 4.878 ( 0.000 23.808 -2.888) 23.982 5.167 ( 0.000 4.266 -10.949) 11.751 5.321 ( 0.000 13.622 -12.451) 18.455 5.535 ( 0.000 -2.711 1.954) 3.342 5.739 ( 0.000 1.764 4.393) 4.734 5.785 ( 0.000 1.899 -1.951) 2.722 6.105 ( 0.000 -3.767 1.847) 4.195 6.349 ( 0.000 8.297 8.869) 12.145 6.840 ( 0.000 -1.103 4.670) 4.798 7.171 ( 0.000 -2.523 5.850) 6.371 7.227 ( 0.000 -2.764 -8.492) 8.931 7.567 ( 0.000 -1.460 8.249) 8.378 8.113 ( 0.000 -14.254 17.439) 22.523 8.596 ( 0.000 2.388 -1.433) 2.785 8.639 ( 0.000 -4.455 -6.551) 7.923 9.041 ( 0.000 1.803 1.546) 2.376 9.136 ( 0.000 4.115 -0.775) 4.187 9.283 ( 0.000 6.321 3.134) 7.055 9.522 ( 0.000 9.831 -3.955) 10.597 10.996 ( 0.000 16.485 0.853) 16.507 11.061 ( 0.000 12.978 -0.398) 12.984 11.251 ( 0.000 15.302 0.123) 15.302 11.270 ( 0.000 8.481 -0.068) 8.481 17.885 ( 0.000 -39.455 0.386) 39.457 17.930 ( 0.000 -39.029 0.389) 39.030 17.990 ( 0.000 -32.807 -3.318) 32.974 18.002 ( 0.000 -37.307 -1.156) 37.325 19.184 ( 0.000 -4.413 1.253) 4.587 19.220 ( 0.000 -4.693 1.054) 4.810 19.276 ( 0.000 -2.895 -0.759) 2.993 19.319 ( 0.000 -2.770 -0.883) 2.908 19.946 ( 0.000 10.121 12.526) 16.104 20.316 ( 0.000 4.852 10.052) 11.161 20.398 ( 0.000 -12.049 0.517) 12.060 20.417 ( 0.000 -12.497 0.382) 12.503 20.468 ( 0.000 -11.394 -0.334) 11.399 20.503 ( 0.000 -10.631 -0.921) 10.671 20.614 ( 0.000 25.557 -1.005) 25.577 20.710 ( 0.000 23.142 -4.265) 23.532 21.415 ( 0.000 25.913 4.778) 26.350 21.680 ( 0.000 17.747 6.475) 18.891 21.866 ( 0.000 16.328 -3.403) 16.679 22.046 ( 0.000 18.574 -3.769) 18.952 31.218 ( 0.000 -48.649 1.847) 48.684 31.275 ( 0.000 -46.769 1.412) 46.790 31.395 ( 0.000 -44.873 -1.876) 44.912 31.417 ( 0.000 -43.937 -1.434) 43.961 34.650 ( 0.000 19.832 1.307) 19.875 34.685 ( 0.000 22.022 2.090) 22.121 34.828 ( 0.000 33.423 -2.155) 33.493 35.265 ( 0.000 37.414 3.179) 37.549 35.374 ( 0.000 35.856 2.468) 35.941 35.556 ( 0.000 45.609 -2.488) 45.677 35.612 ( 0.000 44.079 -2.269) 44.137 35.902 ( 0.000 99.959 -55.582) 114.373 41.527 ( 0.000 -0.329 -0.006) 0.329 41.599 ( 0.000 1.204 -1.540) 1.955 42.252 ( 0.000 -4.041 23.790) 24.130 42.756 ( 0.000 -1.690 5.473) 5.728 42.860 ( 0.000 -1.426 3.744) 4.006 43.388 ( 0.000 -4.210 -10.362) 11.184 43.571 ( 0.000 -6.332 -7.080) 9.498 45.353 ( 0.000 -24.139 -43.995) 50.182 ======================= Grid point 116 (41/90) ======================= q-point: ( 0.25 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 10.165 13.159 18.402) 24.802 1.663 ( 22.534 18.363 16.219) 33.287 1.921 ( -11.541 3.095 18.782) 22.260 2.190 ( -2.474 6.887 0.917) 7.375 2.291 ( -4.290 5.736 2.990) 7.762 2.443 ( 30.783 36.039 12.137) 48.926 2.630 ( 10.857 13.309 -5.013) 17.892 2.801 ( -15.377 3.717 2.513) 16.018 2.930 ( 7.245 21.281 -0.018) 22.480 3.064 ( 8.173 19.882 -5.657) 22.228 3.229 ( -9.741 12.318 0.474) 15.711 3.399 ( -8.634 3.663 2.342) 9.667 3.684 ( -8.999 8.327 -5.544) 13.456 4.145 ( -7.320 -7.186 -5.529) 11.653 4.245 ( -8.485 14.379 2.672) 16.908 4.461 ( 0.514 -2.028 -1.738) 2.720 4.486 ( 5.867 15.525 -1.406) 16.656 4.576 ( -6.990 12.832 -2.631) 14.848 4.618 ( 1.518 11.051 0.967) 11.196 4.702 ( -0.578 6.399 -4.836) 8.042 4.775 ( -3.324 1.297 1.791) 3.992 4.875 ( 1.832 13.168 -2.503) 13.529 4.936 ( -7.956 16.852 -3.174) 18.904 5.182 ( -9.990 12.154 -6.650) 17.080 5.729 ( 7.215 -2.349 1.730) 7.782 5.789 ( 1.550 -0.308 -1.695) 2.318 5.926 ( 13.390 1.203 -5.619) 14.571 6.252 ( 5.389 -6.785 -6.624) 10.907 6.397 ( 4.702 6.805 8.175) 11.630 6.755 ( -7.752 0.289 5.456) 9.484 7.122 ( 4.915 -3.466 2.736) 6.607 7.357 ( 3.938 -7.755 -8.354) 12.060 7.619 ( 5.126 -2.125 10.818) 12.158 8.027 ( -8.502 -13.665 17.402) 23.703 8.605 ( 0.972 0.817 -2.787) 3.062 8.648 ( 0.092 -2.309 -4.777) 5.307 9.062 ( 2.315 2.393 1.470) 3.640 9.131 ( -0.061 5.773 -0.318) 5.782 9.254 ( -2.387 6.997 1.789) 7.606 9.387 ( -9.826 8.033 -1.572) 12.789 11.050 ( 4.455 15.131 0.641) 15.786 11.095 ( 2.486 13.446 -0.084) 13.674 11.239 ( -1.088 17.517 -0.285) 17.553 11.269 ( -0.787 10.679 -1.475) 10.809 17.891 ( 0.570 -39.340 0.469) 39.347 17.924 ( -0.591 -39.163 0.493) 39.170 17.991 ( 0.111 -33.357 -2.996) 33.492 18.000 ( -0.218 -36.640 -1.422) 36.669 19.190 ( 0.568 -4.475 1.241) 4.678 19.216 ( -0.395 -4.687 1.094) 4.829 19.284 ( 0.679 -2.858 -0.781) 3.039 19.314 ( -0.474 -2.783 -0.865) 2.953 19.964 ( 1.992 10.225 12.820) 16.519 20.216 ( -8.307 5.150 11.909) 15.406 20.404 ( 0.395 -10.898 0.692) 10.927 20.417 ( -0.119 -11.808 0.445) 11.817 20.476 ( 0.601 -10.540 -0.181) 10.559 20.503 ( -0.243 -10.227 -0.528) 10.244 20.610 ( -0.157 25.249 -1.347) 25.286 20.663 ( -3.173 24.650 -2.844) 25.016 21.416 ( 0.275 25.980 5.146) 26.486 21.558 ( -8.108 23.473 7.955) 26.077 21.880 ( 1.407 16.264 -3.402) 16.676 21.989 ( -3.587 17.964 -2.931) 18.551 31.230 ( 0.949 -48.519 1.760) 48.560 31.269 ( -0.588 -47.107 1.484) 47.134 31.399 ( 0.356 -44.755 -1.794) 44.792 31.415 ( -0.251 -44.106 -1.479) 44.132 34.656 ( 0.520 20.056 1.397) 20.112 34.681 ( -0.402 21.651 2.035) 21.750 34.865 ( 3.918 36.991 -3.140) 37.330 35.264 ( -2.020 40.778 0.895) 40.837 35.362 ( -1.204 36.257 2.338) 36.352 35.473 ( -23.609 72.941 -22.378) 79.866 35.563 ( 0.670 45.470 -2.485) 45.543 35.604 ( -0.973 44.803 -2.511) 44.884 41.646 ( 9.892 -0.243 3.278) 10.423 42.145 ( -8.940 -3.544 19.599) 21.832 42.585 ( 49.689 -10.689 -24.093) 56.247 42.788 ( 3.600 -2.633 5.301) 6.928 42.883 ( 8.348 0.349 -4.208) 9.355 43.367 ( -2.180 -4.158 -11.282) 12.220 43.739 ( 22.250 -10.931 -15.994) 29.502 45.176 ( -17.764 -24.708 -46.425) 55.509 ======================= Grid point 117 (42/90) ======================= q-point: (-0.50 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 133 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -14.279 6.248 18.705) 24.348 1.632 ( 14.279 6.248 18.705) 24.348 2.193 ( -1.827 4.531 1.322) 5.062 2.193 ( 1.827 4.531 1.322) 5.062 2.244 ( -27.387 13.724 6.868) 31.394 2.244 ( 27.387 13.724 6.868) 31.394 2.890 ( -12.007 16.227 -3.195) 20.437 2.890 ( 12.007 16.227 -3.195) 20.437 3.096 ( -8.435 4.092 -0.170) 9.377 3.096 ( 8.435 4.092 -0.170) 9.377 3.382 ( -10.434 21.324 -0.616) 23.748 3.382 ( 10.434 21.324 -0.616) 23.748 3.447 ( -17.434 15.659 1.629) 23.490 3.447 ( 17.434 15.659 1.629) 23.490 4.412 ( -6.216 2.270 3.159) 7.333 4.412 ( 6.216 2.270 3.159) 7.333 4.545 ( -6.200 9.527 -8.714) 14.323 4.545 ( 6.200 9.527 -8.714) 14.323 4.698 ( -6.012 8.893 2.339) 10.986 4.698 ( 6.012 8.893 2.339) 10.986 4.758 ( -5.121 10.614 0.503) 11.796 4.758 ( 5.121 10.614 0.503) 11.796 4.988 ( -7.221 12.158 -3.066) 14.470 4.988 ( 7.221 12.158 -3.066) 14.470 5.805 ( -0.662 0.202 -0.537) 0.876 5.805 ( 0.662 0.202 -0.537) 0.876 6.184 ( -9.839 -3.187 -8.306) 13.265 6.184 ( 9.839 -3.187 -8.306) 13.265 6.555 ( -10.021 3.466 7.289) 12.867 6.555 ( 10.021 3.466 7.289) 12.867 7.318 ( -8.095 -10.323 -7.105) 14.919 7.318 ( 8.095 -10.323 -7.105) 14.919 7.792 ( -11.550 -7.036 16.727) 21.510 7.792 ( 11.550 -7.036 16.727) 21.510 8.631 ( -1.365 -0.261 -3.425) 3.697 8.631 ( 1.365 -0.261 -3.425) 3.697 9.128 ( -2.056 5.528 1.427) 6.068 9.128 ( 2.056 5.528 1.427) 6.068 9.231 ( -2.811 5.978 -0.705) 6.643 9.231 ( 2.811 5.978 -0.705) 6.643 11.125 ( -0.966 11.837 0.831) 11.906 11.125 ( 0.966 11.837 0.831) 11.906 11.232 ( -1.468 18.091 -1.852) 18.245 11.232 ( 1.468 18.091 -1.852) 18.245 17.907 ( -0.893 -39.243 0.546) 39.257 17.907 ( 0.893 -39.243 0.546) 39.257 17.995 ( -0.237 -34.974 -2.163) 35.042 17.995 ( 0.237 -34.974 -2.163) 35.042 19.204 ( -0.682 -4.603 1.184) 4.801 19.204 ( 0.682 -4.603 1.184) 4.801 19.300 ( -0.809 -2.808 -0.826) 3.037 19.300 ( 0.809 -2.808 -0.826) 3.037 20.047 ( -6.388 9.276 13.422) 17.521 20.047 ( 6.388 9.276 13.422) 17.521 20.412 ( -0.322 -10.901 0.552) 10.920 20.412 ( 0.322 -10.901 0.552) 10.920 20.491 ( -0.767 -10.089 -0.242) 10.121 20.491 ( 0.767 -10.089 -0.242) 10.121 20.618 ( -1.097 24.689 -1.769) 24.776 20.618 ( 1.097 24.689 -1.769) 24.776 21.443 ( -2.867 25.756 6.449) 26.705 21.443 ( 2.867 25.756 6.449) 26.705 21.923 ( -2.645 16.713 -3.163) 17.214 21.923 ( 2.645 16.713 -3.163) 17.214 31.251 ( -1.021 -47.866 1.632) 47.905 31.251 ( 1.021 -47.866 1.632) 47.905 31.407 ( -0.416 -44.451 -1.616) 44.482 31.407 ( 0.416 -44.451 -1.616) 44.482 34.670 ( -0.676 20.757 1.703) 20.838 34.670 ( 0.676 20.757 1.703) 20.838 35.020 ( -11.793 49.289 -6.957) 51.155 35.020 ( 11.793 49.289 -6.957) 51.155 35.338 ( -1.197 37.346 2.247) 37.433 35.338 ( 1.197 37.346 2.247) 37.433 35.582 ( -1.078 45.062 -2.422) 45.140 35.582 ( 1.078 45.062 -2.422) 45.140 41.901 ( -13.213 -1.760 11.605) 17.674 41.901 ( 13.213 -1.760 11.605) 17.674 42.802 ( -1.686 -3.307 6.147) 7.181 42.802 ( 1.686 -3.307 6.147) 7.181 43.273 ( -8.533 -4.286 -16.334) 18.920 43.273 ( 8.533 -4.286 -16.334) 18.920 44.564 ( -41.402 -23.891 -47.710) 67.537 44.564 ( 41.402 -23.891 -47.710) 67.537 ======================= Grid point 120 (43/90) ======================= q-point: ( 0.00 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.000 9.293 21.712) 23.617 1.912 ( 0.000 32.672 9.288) 33.966 2.160 ( 0.000 8.541 14.280) 16.639 2.355 ( 0.000 4.563 9.108) 10.187 2.458 ( 0.000 6.162 0.607) 6.192 2.731 ( 0.000 15.259 -6.108) 16.436 2.902 ( 0.000 4.112 -2.839) 4.997 3.015 ( 0.000 29.078 -1.096) 29.099 3.139 ( 0.000 1.832 2.434) 3.046 3.448 ( 0.000 -2.331 -3.622) 4.308 3.495 ( 0.000 15.004 -10.068) 18.069 3.722 ( 0.000 15.450 8.955) 17.858 3.867 ( 0.000 10.424 5.930) 11.993 3.909 ( 0.000 -7.832 -18.456) 20.049 4.249 ( 0.000 -14.289 2.782) 14.558 4.438 ( 0.000 -11.872 -1.656) 11.987 4.517 ( 0.000 -5.103 4.705) 6.941 4.556 ( 0.000 -5.912 -9.938) 11.564 4.736 ( 0.000 -1.909 -2.281) 2.975 4.954 ( 0.000 2.568 -12.847) 13.101 5.211 ( 0.000 34.550 4.050) 34.787 5.436 ( 0.000 17.238 -3.010) 17.499 5.489 ( 0.000 -1.814 4.372) 4.733 5.710 ( 0.000 44.537 -0.616) 44.541 5.728 ( 0.000 -1.298 -0.887) 1.572 5.881 ( 0.000 6.257 2.595) 6.774 5.933 ( 0.000 35.869 -9.507) 37.107 6.014 ( 0.000 -4.138 4.243) 5.927 6.685 ( 0.000 23.547 6.589) 24.451 6.821 ( 0.000 -0.523 5.002) 5.029 7.142 ( 0.000 0.222 5.080) 5.084 7.297 ( 0.000 10.360 -0.472) 10.370 7.526 ( 0.000 -2.283 5.334) 5.802 7.877 ( 0.000 -8.920 15.506) 17.889 8.511 ( 0.000 -7.400 -7.508) 10.542 8.601 ( 0.000 -1.953 -2.337) 3.045 9.305 ( 0.000 27.798 1.527) 27.840 9.404 ( 0.000 26.093 -0.458) 26.097 9.599 ( 0.000 25.967 1.745) 26.026 9.818 ( 0.000 21.736 -3.744) 22.056 11.367 ( 0.000 17.925 0.005) 17.925 11.388 ( 0.000 16.843 -0.187) 16.844 11.530 ( 0.000 19.942 2.880) 20.149 11.778 ( 0.000 30.416 -2.443) 30.514 16.993 ( 0.000 -42.954 1.478) 42.980 17.017 ( 0.000 -45.492 1.060) 45.505 17.142 ( 0.000 -43.227 -1.779) 43.264 17.222 ( 0.000 -39.511 -5.765) 39.930 18.988 ( 0.000 -17.717 1.090) 17.750 19.009 ( 0.000 -17.616 1.630) 17.691 19.073 ( 0.000 -19.096 -0.618) 19.106 19.135 ( 0.000 -17.632 -1.019) 17.661 20.050 ( 0.000 0.932 13.572) 13.604 20.063 ( 0.000 -16.120 1.505) 16.191 20.094 ( 0.000 -16.819 2.041) 16.943 20.229 ( 0.000 -7.894 16.537) 18.325 20.239 ( 0.000 -7.044 -1.905) 7.297 20.287 ( 0.000 -7.502 -2.011) 7.767 20.953 ( 0.000 5.510 -5.395) 7.711 20.976 ( 0.000 3.857 -4.593) 5.998 22.163 ( 0.000 44.882 3.839) 45.046 22.453 ( 0.000 47.414 0.011) 47.414 22.538 ( 0.000 44.934 -0.748) 44.940 22.686 ( 0.000 40.975 -2.702) 41.064 30.085 ( 0.000 -56.878 2.090) 56.917 30.166 ( 0.000 -56.236 1.470) 56.255 30.287 ( 0.000 -57.322 -1.957) 57.355 30.330 ( 0.000 -56.490 -1.913) 56.522 35.207 ( 0.000 32.049 3.830) 32.277 35.305 ( 0.000 35.064 7.886) 35.940 35.706 ( 0.000 46.848 -6.441) 47.289 36.133 ( 0.000 41.264 4.596) 41.519 36.213 ( 0.000 40.343 4.000) 40.541 36.563 ( 0.000 47.168 -3.991) 47.336 36.600 ( 0.000 47.110 -4.008) 47.280 37.567 ( 0.000 55.609 -64.042) 84.816 41.535 ( 0.000 1.477 1.535) 2.131 41.639 ( 0.000 2.830 -1.573) 3.238 42.147 ( 0.000 -5.374 19.581) 20.305 42.687 ( 0.000 -4.734 5.984) 7.630 42.825 ( 0.000 -2.018 -0.352) 2.049 43.255 ( 0.000 -8.463 -8.260) 11.825 43.397 ( 0.000 -9.934 -5.543) 11.376 44.698 ( 0.000 -36.028 -34.659) 49.993 ======================= Grid point 121 (44/90) ======================= q-point: ( 0.25 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 4.408 11.921 18.212) 22.209 2.040 ( -8.510 8.447 13.158) 17.802 2.062 ( 10.838 21.353 9.057) 25.601 2.335 ( -1.765 7.419 4.694) 8.955 2.439 ( -0.825 8.445 1.250) 8.577 2.807 ( -4.834 4.514 -3.265) 7.376 2.877 ( 3.995 9.352 -2.095) 10.383 3.116 ( 8.115 14.292 -2.117) 16.571 3.147 ( 3.006 9.614 0.318) 10.078 3.323 ( -7.634 4.372 -2.817) 9.237 3.532 ( 3.297 13.028 -7.835) 15.555 3.742 ( 1.470 15.879 3.283) 16.281 3.822 ( -3.354 10.386 -2.501) 11.197 4.008 ( 2.944 -5.471 -5.848) 8.532 4.261 ( 0.400 -11.541 2.021) 11.723 4.325 ( -5.653 -5.696 0.940) 8.079 4.471 ( -2.978 -4.675 0.585) 5.574 4.520 ( -2.011 -11.078 0.951) 11.299 4.772 ( 1.084 1.270 -3.163) 3.577 4.918 ( -3.147 2.240 -9.204) 9.982 5.256 ( 4.488 34.311 3.011) 34.734 5.398 ( -0.478 20.596 -0.621) 20.611 5.547 ( -1.411 22.005 -2.109) 22.151 5.684 ( -3.706 14.664 -0.406) 15.130 5.747 ( 1.567 18.303 -0.555) 18.378 5.835 ( 3.569 11.663 -1.105) 12.247 6.008 ( 4.483 11.812 -4.642) 13.459 6.078 ( 2.814 -7.955 -0.063) 8.438 6.685 ( 0.332 21.027 6.494) 22.009 6.791 ( -2.841 3.846 5.369) 7.189 7.132 ( 0.631 3.661 5.781) 6.872 7.288 ( -1.884 4.603 -0.358) 4.986 7.572 ( 4.166 -2.183 6.286) 7.851 7.820 ( -5.219 -7.117 13.747) 16.336 8.529 ( 1.599 -6.861 -6.879) 9.846 8.597 ( -0.613 -3.488 -3.318) 4.853 9.335 ( 3.170 27.721 1.659) 27.951 9.422 ( 1.735 26.228 -0.112) 26.286 9.566 ( -2.938 25.636 1.223) 25.833 9.676 ( -10.865 23.121 -1.417) 25.586 11.404 ( 2.871 18.640 0.372) 18.863 11.475 ( 3.812 21.922 0.797) 22.265 11.548 ( 3.848 16.369 -0.293) 16.818 11.757 ( -2.146 28.807 -2.765) 29.019 16.996 ( 0.293 -43.330 1.435) 43.354 17.013 ( -0.336 -45.132 1.137) 45.148 17.153 ( 1.005 -42.667 -2.226) 42.737 17.209 ( -1.096 -40.037 -5.024) 40.366 18.992 ( 0.368 -17.685 1.162) 17.727 19.007 ( -0.201 -17.618 1.540) 17.686 19.083 ( 0.951 -18.873 -0.698) 18.910 19.128 ( -0.733 -17.845 -0.970) 17.886 20.048 ( 0.238 -6.051 8.437) 10.386 20.073 ( 0.218 -12.102 4.612) 12.953 20.096 ( 0.627 -13.661 4.794) 14.491 20.190 ( -3.002 -6.164 14.529) 16.066 20.249 ( 0.726 -7.262 -1.176) 7.393 20.283 ( -0.484 -7.650 -1.347) 7.782 20.953 ( -0.005 5.616 -5.329) 7.742 20.969 ( -0.616 4.506 -4.704) 6.543 22.182 ( 2.019 46.047 3.933) 46.259 22.395 ( -5.967 49.823 2.294) 50.232 22.534 ( 0.493 43.431 -2.129) 43.485 22.631 ( -3.717 41.567 -2.212) 41.792 30.098 ( 1.190 -56.819 2.008) 56.867 30.156 ( -0.991 -56.339 1.581) 56.370 30.294 ( 0.595 -57.247 -1.972) 57.284 30.324 ( -0.571 -56.645 -1.924) 56.681 35.220 ( 1.215 32.414 4.301) 32.720 35.290 ( -1.405 34.526 7.222) 35.301 35.814 ( 10.784 49.413 -8.360) 51.262 36.145 ( 1.047 41.407 4.440) 41.658 36.204 ( -0.776 40.344 4.007) 40.549 36.566 ( 0.174 47.130 -4.010) 47.301 36.594 ( -0.626 47.216 -4.168) 47.404 36.960 ( -41.703 59.290 -37.389) 81.562 41.649 ( 8.306 0.838 3.710) 9.135 42.053 ( -6.050 -4.602 16.190) 17.886 42.349 ( 42.997 -10.838 -15.152) 46.859 42.704 ( 1.253 -5.083 5.708) 7.745 42.858 ( 5.948 -2.633 -4.673) 8.009 43.236 ( -2.083 -8.341 -9.247) 12.626 43.476 ( 10.084 -13.307 -8.238) 18.618 44.519 ( -17.495 -35.409 -34.775) 52.623 ======================= Grid point 122 (45/90) ======================= q-point: (-0.50 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 133 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -10.897 10.274 14.551) 20.881 1.810 ( 10.897 10.274 14.551) 20.881 2.283 ( -4.992 6.922 2.805) 8.983 2.283 ( 4.992 6.922 2.805) 8.983 2.528 ( -12.827 11.805 2.677) 17.637 2.528 ( 12.827 11.805 2.677) 17.637 3.078 ( -9.872 5.760 -4.124) 12.151 3.078 ( 9.872 5.760 -4.124) 12.151 3.244 ( -3.642 7.687 -1.220) 8.593 3.244 ( 3.642 7.687 -1.220) 8.593 3.681 ( -9.295 8.541 -11.349) 16.975 3.681 ( 9.295 8.541 -11.349) 16.975 3.860 ( -9.698 15.494 7.267) 19.670 3.860 ( 9.698 15.494 7.267) 19.670 4.305 ( -1.549 -8.613 2.657) 9.146 4.305 ( 1.549 -8.613 2.657) 9.146 4.456 ( -2.897 -8.627 0.238) 9.104 4.456 ( 2.897 -8.627 0.238) 9.104 4.825 ( -4.597 2.027 -4.053) 6.455 4.825 ( 4.597 2.027 -4.053) 6.455 5.376 ( -5.334 30.577 0.432) 31.042 5.376 ( 5.334 30.577 0.432) 31.042 5.529 ( -5.488 26.324 -1.683) 26.942 5.529 ( 5.488 26.324 -1.683) 26.942 5.869 ( -3.125 7.371 -0.665) 8.034 5.869 ( 3.125 7.371 -0.665) 8.034 6.077 ( -2.472 -3.794 -4.403) 6.316 6.077 ( 2.472 -3.794 -4.403) 6.316 6.720 ( -3.132 13.353 6.092) 15.008 6.720 ( 3.132 13.353 6.092) 15.008 7.203 ( -5.322 2.182 3.006) 6.490 7.203 ( 5.322 2.182 3.006) 6.490 7.688 ( -6.579 -3.562 9.640) 12.203 7.688 ( 6.579 -3.562 9.640) 12.203 8.569 ( -1.944 -5.612 -5.275) 7.944 8.569 ( 1.944 -5.612 -5.275) 7.944 9.439 ( -4.951 27.540 1.474) 28.020 9.439 ( 4.951 27.540 1.474) 28.020 9.504 ( -0.472 24.245 0.045) 24.250 9.504 ( 0.472 24.245 0.045) 24.250 11.465 ( -2.496 19.934 1.600) 20.153 11.465 ( 2.496 19.934 1.600) 20.153 11.679 ( -5.603 23.299 -3.291) 24.188 11.679 ( 5.603 23.299 -3.291) 24.188 17.004 ( -0.454 -44.237 1.303) 44.259 17.004 ( 0.454 -44.237 1.303) 44.259 17.181 ( -1.507 -41.337 -3.480) 41.511 17.181 ( 1.507 -41.337 -3.480) 41.511 19.001 ( -0.399 -17.633 1.342) 17.688 19.001 ( 0.399 -17.633 1.342) 17.688 19.107 ( -1.167 -18.357 -0.848) 18.414 19.107 ( 1.167 -18.357 -0.848) 18.414 20.062 ( -0.907 -11.590 4.809) 12.581 20.062 ( 0.907 -11.590 4.809) 12.581 20.129 ( -2.418 -6.581 11.544) 13.507 20.129 ( 2.418 -6.581 11.544) 13.507 20.267 ( -0.938 -7.465 -1.394) 7.651 20.267 ( 0.938 -7.465 -1.394) 7.651 20.957 ( -0.432 5.424 -5.035) 7.413 20.957 ( 0.432 5.424 -5.035) 7.413 22.259 ( -5.565 48.888 3.829) 49.352 22.259 ( 5.565 48.888 3.829) 49.352 22.566 ( -2.419 42.454 -2.321) 42.586 22.566 ( 2.419 42.454 -2.321) 42.586 30.128 ( -1.546 -56.599 1.807) 56.649 30.128 ( 1.546 -56.599 1.807) 56.649 30.309 ( -0.810 -56.981 -1.956) 57.020 30.309 ( 0.810 -56.981 -1.956) 57.020 35.254 ( -1.874 33.389 5.637) 33.913 35.254 ( 1.874 33.389 5.637) 33.913 36.137 ( -9.242 47.977 -3.390) 48.977 36.137 ( 9.242 47.977 -3.390) 48.977 36.241 ( -16.758 48.304 -8.273) 51.793 36.241 ( 16.758 48.304 -8.273) 51.793 36.585 ( -0.707 47.350 -4.305) 47.550 36.585 ( 0.707 47.350 -4.305) 47.550 41.859 ( -10.812 -1.765 10.528) 15.194 41.859 ( 10.812 -1.765 10.528) 15.194 42.707 ( -2.112 -5.638 3.518) 6.973 42.707 ( 2.112 -5.638 3.518) 6.973 43.138 ( -9.323 -8.592 -14.069) 18.939 43.138 ( 9.323 -8.592 -14.069) 18.939 43.973 ( -32.670 -29.599 -29.183) 52.868 43.973 ( 32.670 -29.599 -29.183) 52.868 ======================= Grid point 125 (46/90) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.000 12.175 13.390) 18.098 2.365 ( 0.000 10.877 5.837) 12.344 2.461 ( 0.000 6.021 8.145) 10.129 2.557 ( 0.000 26.815 6.290) 27.543 2.603 ( 0.000 7.786 -2.901) 8.309 2.992 ( 0.000 4.696 -3.502) 5.858 3.045 ( 0.000 14.525 -3.542) 14.950 3.204 ( 0.000 4.794 0.885) 4.875 3.401 ( 0.000 11.664 -5.939) 13.089 3.411 ( 0.000 -2.769 -7.390) 7.892 3.682 ( 0.000 4.362 -11.540) 12.337 3.751 ( 0.000 -5.994 -12.339) 13.718 3.816 ( 0.000 -0.054 4.043) 4.043 3.928 ( 0.000 -15.266 2.844) 15.529 4.186 ( 0.000 -10.375 -4.669) 11.377 4.203 ( 0.000 10.826 5.891) 12.325 4.382 ( 0.000 -4.808 -3.801) 6.129 4.433 ( 0.000 -3.873 6.640) 7.686 4.687 ( 0.000 -2.512 -1.455) 2.903 4.952 ( 0.000 -1.759 -3.752) 4.144 5.460 ( 0.000 -0.596 2.001) 2.088 5.672 ( 0.000 6.364 3.662) 7.342 5.689 ( 0.000 -2.702 0.579) 2.763 5.705 ( 0.000 12.548 1.999) 12.706 5.972 ( 0.000 0.959 6.779) 6.846 6.048 ( 0.000 9.572 1.601) 9.705 6.427 ( 0.000 19.038 -3.197) 19.304 6.479 ( 0.000 15.399 -6.701) 16.794 6.824 ( 0.000 0.853 5.615) 5.679 7.132 ( 0.000 14.240 5.401) 15.230 7.179 ( 0.000 3.044 5.593) 6.368 7.481 ( 0.000 -1.698 1.690) 2.396 7.514 ( 0.000 5.288 7.179) 8.917 7.722 ( 0.000 -5.664 5.772) 8.087 8.344 ( 0.000 -8.212 -7.919) 11.408 8.522 ( 0.000 -5.390 -5.234) 7.513 10.285 ( 0.000 63.707 1.155) 63.717 10.338 ( 0.000 61.527 0.548) 61.530 10.457 ( 0.000 55.764 0.785) 55.769 10.577 ( 0.000 52.237 -2.126) 52.280 11.742 ( 0.000 18.818 0.300) 18.820 11.797 ( 0.000 22.620 -1.496) 22.669 12.043 ( 0.000 26.903 4.797) 27.327 12.425 ( 0.000 29.997 -3.779) 30.235 16.092 ( 0.000 -41.747 1.356) 41.769 16.150 ( 0.000 -36.977 1.661) 37.015 16.249 ( 0.000 -40.982 -1.641) 41.015 16.393 ( 0.000 -38.409 -4.455) 38.667 18.355 ( 0.000 -41.635 0.969) 41.646 18.380 ( 0.000 -42.272 0.985) 42.284 18.451 ( 0.000 -40.490 -0.470) 40.492 18.505 ( 0.000 -42.197 -1.044) 42.210 19.842 ( 0.000 -4.892 3.952) 6.289 19.845 ( 0.000 -5.932 4.334) 7.347 20.032 ( 0.000 -2.028 12.267) 12.434 20.087 ( 0.000 -5.545 13.850) 14.919 20.209 ( 0.000 3.284 -3.789) 5.014 20.245 ( 0.000 2.904 -3.719) 4.719 20.950 ( 0.000 -3.856 -6.853) 7.864 20.954 ( 0.000 -4.248 -6.224) 7.536 23.214 ( 0.000 53.764 3.311) 53.866 23.499 ( 0.000 51.402 -2.154) 51.447 23.569 ( 0.000 51.452 0.615) 51.456 23.643 ( 0.000 48.626 -0.905) 48.634 28.901 ( 0.000 -55.679 1.870) 55.710 28.990 ( 0.000 -55.585 1.142) 55.596 29.076 ( 0.000 -57.690 -1.499) 57.710 29.132 ( 0.000 -57.321 -1.743) 57.348 35.926 ( 0.000 35.183 6.288) 35.740 36.067 ( 0.000 36.069 11.816) 37.955 36.661 ( 0.000 42.444 -8.873) 43.362 36.885 ( 0.000 29.202 5.883) 29.789 36.959 ( 0.000 29.549 5.153) 29.995 37.433 ( 0.000 34.635 -5.122) 35.011 37.502 ( 0.000 38.012 -6.161) 38.508 38.348 ( 0.000 22.998 -44.865) 50.416 41.606 ( 0.000 5.735 3.306) 6.620 41.727 ( 0.000 5.777 -1.128) 5.886 42.058 ( 0.000 -2.357 13.707) 13.909 42.569 ( 0.000 -6.400 5.021) 8.134 42.772 ( 0.000 -3.078 -2.297) 3.841 43.037 ( 0.000 -12.270 -5.142) 13.304 43.168 ( 0.000 -11.659 -4.484) 12.491 43.946 ( 0.000 -33.907 -24.592) 41.886 ======================= Grid point 126 (47/90) ======================= q-point: ( 0.25 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 5.161 12.392 11.532) 17.697 2.238 ( -8.638 10.358 5.680) 14.634 2.467 ( -1.646 11.843 4.840) 12.899 2.533 ( -1.968 12.037 2.092) 12.375 2.660 ( 4.922 14.669 2.628) 15.694 2.897 ( -6.393 6.336 -2.010) 9.222 3.114 ( 5.010 12.138 -2.627) 13.391 3.258 ( 4.531 4.905 -2.291) 7.060 3.322 ( -5.187 5.076 -6.090) 9.474 3.424 ( -0.521 4.065 -3.793) 5.584 3.706 ( 2.432 3.601 -11.134) 11.952 3.770 ( 2.641 -3.838 -9.517) 10.596 3.930 ( 6.109 -2.053 -0.130) 6.446 3.969 ( 3.511 -9.952 0.537) 10.567 4.147 ( -4.642 -1.056 -2.834) 5.540 4.168 ( -2.775 -6.087 1.410) 6.837 4.325 ( -0.883 0.124 5.561) 5.632 4.411 ( -2.456 -2.153 6.447) 7.227 4.760 ( 4.411 -1.559 -2.165) 5.155 4.914 ( -3.032 -1.794 -3.329) 4.847 5.526 ( 4.872 -0.235 1.937) 5.248 5.672 ( 3.425 1.621 1.212) 3.978 5.726 ( 0.455 9.866 2.858) 10.282 5.757 ( 3.201 1.545 2.176) 4.168 5.984 ( -0.077 1.283 2.972) 3.238 6.056 ( 3.737 8.884 1.586) 9.767 6.278 ( -12.080 12.506 -1.783) 17.479 6.395 ( -6.399 15.532 -5.012) 17.531 6.912 ( 5.704 5.990 4.298) 9.321 7.093 ( -2.924 12.812 5.474) 14.236 7.233 ( 4.129 5.473 5.477) 8.775 7.434 ( -3.756 3.048 5.879) 7.613 7.552 ( 2.884 0.943 2.735) 4.085 7.696 ( -2.458 -4.922 5.124) 7.518 8.363 ( 1.737 -8.490 -7.394) 11.392 8.484 ( -3.148 -7.001 -5.363) 9.363 10.303 ( 1.864 62.883 1.071) 62.919 10.344 ( 0.761 60.773 0.638) 60.781 10.428 ( -2.494 56.423 0.711) 56.483 10.493 ( -6.298 55.610 -0.813) 55.971 11.838 ( 4.006 22.556 -0.367) 22.911 11.901 ( 12.505 20.237 -1.355) 23.828 12.014 ( -2.755 26.195 4.001) 26.642 12.363 ( -6.042 28.031 -3.734) 28.917 16.101 ( 0.810 -40.920 1.451) 40.954 16.142 ( -0.713 -37.474 1.713) 37.519 16.269 ( 1.899 -40.664 -2.081) 40.762 16.372 ( -1.912 -38.770 -4.028) 39.025 18.362 ( 0.646 -41.584 1.002) 41.601 18.382 ( 0.022 -42.007 1.068) 42.021 18.456 ( 0.580 -40.911 -0.668) 40.920 18.496 ( -0.814 -42.089 -1.014) 42.109 19.842 ( 0.056 -5.030 4.027) 6.443 19.845 ( -0.034 -5.770 4.285) 7.187 20.037 ( 0.512 -2.354 12.425) 12.656 20.075 ( -0.952 -4.795 13.524) 14.381 20.215 ( 0.521 3.185 -3.736) 4.937 20.241 ( -0.451 2.913 -3.686) 4.719 20.950 ( -0.009 -3.856 -6.788) 7.807 20.953 ( -0.121 -4.136 -6.341) 7.572 23.249 ( 3.401 54.081 3.168) 54.281 23.486 ( -3.427 53.123 0.244) 53.234 23.537 ( -1.206 50.463 -1.167) 50.491 23.603 ( -2.618 49.371 -0.834) 49.447 28.915 ( 1.260 -55.676 1.776) 55.718 28.978 ( -1.084 -55.602 1.288) 55.628 29.084 ( 0.685 -57.677 -1.579) 57.702 29.123 ( -0.784 -57.399 -1.722) 57.430 35.944 ( 1.709 35.301 6.952) 36.019 36.044 ( -2.056 35.911 10.878) 37.579 36.793 ( 12.535 41.907 -10.361) 44.952 36.901 ( 1.755 29.634 5.356) 30.165 36.950 ( -0.840 29.714 5.198) 30.176 37.441 ( 0.658 35.159 -5.302) 35.562 37.492 ( -0.899 37.514 -6.096) 38.017 37.905 ( -33.608 32.527 -31.752) 56.530 41.698 ( 6.139 4.236 4.489) 8.706 41.984 ( -3.230 -1.263 11.508) 12.019 42.168 ( 29.904 -5.884 -7.507) 31.388 42.585 ( 1.166 -6.108 4.075) 7.435 42.785 ( 2.105 -4.124 -3.412) 5.752 43.021 ( -1.861 -12.059 -6.182) 13.678 43.197 ( 3.704 -13.256 -5.321) 14.757 43.796 ( -14.120 -31.807 -23.296) 41.878 ======================= Grid point 127 (48/90) ======================= q-point: (-0.50 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 133 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -9.122 11.858 7.895) 16.916 2.044 ( 9.122 11.858 7.895) 16.916 2.472 ( -2.385 9.808 1.505) 10.205 2.472 ( 2.385 9.808 1.505) 10.205 2.772 ( -5.594 12.340 2.029) 13.700 2.772 ( 5.594 12.340 2.029) 13.700 3.217 ( -4.880 7.848 -4.876) 10.449 3.217 ( 4.880 7.848 -4.876) 10.449 3.368 ( -4.737 3.370 -2.677) 6.401 3.368 ( 4.737 3.370 -2.677) 6.401 3.776 ( -3.093 1.630 -10.712) 11.268 3.776 ( 3.093 1.630 -10.712) 11.268 4.001 ( -1.441 -2.825 -1.930) 3.712 4.001 ( 1.441 -2.825 -1.930) 3.712 4.110 ( -2.471 -7.651 1.013) 8.103 4.110 ( 2.471 -7.651 1.013) 8.103 4.353 ( -2.594 -0.531 8.306) 8.717 4.353 ( 2.594 -0.531 8.306) 8.717 4.841 ( -3.737 -0.226 -2.357) 4.424 4.841 ( 3.737 -0.226 -2.357) 4.424 5.643 ( -6.168 3.727 2.994) 7.804 5.643 ( 6.168 3.727 2.994) 7.804 5.781 ( -3.936 -1.312 0.795) 4.225 5.781 ( 3.936 -1.312 0.796) 4.225 6.038 ( -8.488 8.749 0.924) 12.224 6.038 ( 8.488 8.749 0.924) 12.224 6.222 ( -9.515 10.455 -2.765) 14.404 6.222 ( 9.515 10.455 -2.765) 14.404 7.017 ( -4.327 10.777 4.784) 12.560 7.017 ( 4.327 10.777 4.784) 12.560 7.335 ( -5.302 6.031 5.923) 9.978 7.335 ( 5.302 6.031 5.923) 9.978 7.626 ( -3.898 -2.550 3.370) 5.750 7.626 ( 3.898 -2.550 3.370) 5.750 8.415 ( -3.144 -8.617 -6.215) 11.080 8.415 ( 3.144 -8.617 -6.215) 11.080 10.366 ( -3.773 59.230 0.633) 59.354 10.366 ( 3.773 59.230 0.633) 59.354 10.380 ( -3.169 59.692 0.631) 59.780 10.380 ( 3.169 59.692 0.631) 59.780 11.933 ( -4.626 24.351 1.976) 24.865 11.933 ( 4.626 24.351 1.976) 24.865 12.173 ( -11.858 23.587 -3.170) 26.590 12.173 ( 11.858 23.587 -3.170) 26.590 16.122 ( -1.105 -39.068 1.637) 39.117 16.122 ( 1.105 -39.068 1.637) 39.117 16.320 ( -2.741 -39.702 -3.043) 39.912 16.320 ( 2.741 -39.702 -3.043) 39.912 18.376 ( -0.567 -41.613 1.083) 41.631 18.376 ( 0.567 -41.613 1.083) 41.631 18.475 ( -1.100 -41.681 -0.914) 41.706 18.475 ( 1.100 -41.681 -0.914) 41.706 19.844 ( -0.070 -5.387 4.169) 6.812 19.844 ( 0.070 -5.387 4.169) 6.812 20.053 ( -1.013 -3.369 12.898) 13.369 20.053 ( 1.013 -3.369 12.898) 13.369 20.228 ( -0.689 3.012 -3.676) 4.802 20.228 ( 0.689 3.012 -3.676) 4.802 20.950 ( -0.083 -3.940 -6.591) 7.679 20.950 ( 0.083 -3.940 -6.591) 7.679 23.356 ( -6.648 54.281 2.499) 54.744 23.356 ( 6.648 54.281 2.499) 54.744 23.555 ( -1.882 50.089 -1.535) 50.148 23.555 ( 1.882 50.089 -1.535) 50.148 28.948 ( -1.684 -55.651 1.548) 55.698 28.948 ( 1.684 -55.651 1.548) 55.698 29.103 ( -1.049 -57.564 -1.669) 57.598 29.103 ( 1.049 -57.564 -1.669) 57.598 35.992 ( -2.656 35.591 8.765) 36.751 35.992 ( 2.656 35.591 8.765) 36.751 36.922 ( -1.582 29.342 5.241) 29.849 36.922 ( 1.582 29.342 5.241) 29.849 37.223 ( -26.705 40.879 -16.947) 51.686 37.223 ( 26.705 40.879 -16.947) 51.686 37.472 ( -0.900 36.266 -6.143) 36.794 37.472 ( 0.900 36.266 -6.143) 36.794 41.849 ( -7.707 1.321 8.832) 11.797 41.849 ( 7.707 1.321 8.832) 11.797 42.573 ( -4.969 -6.963 -0.077) 8.555 42.573 ( 4.969 -6.963 -0.077) 8.555 42.925 ( -8.526 -11.176 -9.590) 17.016 42.925 ( 8.526 -11.176 -9.590) 17.016 43.415 ( -18.468 -22.784 -15.107) 32.991 43.415 ( 18.468 -22.784 -15.107) 32.991 ======================= Grid point 130 (49/90) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.000 14.213 6.193) 15.504 2.581 ( 0.000 9.721 -3.956) 10.495 2.619 ( 0.000 9.244 5.503) 10.758 2.770 ( 0.000 7.584 -6.257) 9.832 2.939 ( 0.000 4.088 2.760) 4.932 3.096 ( 0.000 5.140 -4.454) 6.801 3.260 ( 0.000 4.114 -4.140) 5.836 3.333 ( 0.000 2.231 -11.016) 11.240 3.380 ( 0.000 10.507 5.921) 12.060 3.543 ( 0.000 -14.421 1.787) 14.531 3.583 ( 0.000 6.001 -4.911) 7.754 3.713 ( 0.000 -0.495 -12.088) 12.098 3.784 ( 0.000 -2.594 3.085) 4.031 3.812 ( 0.000 4.943 -2.519) 5.548 4.006 ( 0.000 -7.939 -7.234) 10.741 4.161 ( 0.000 -5.050 -4.709) 6.905 4.385 ( 0.000 0.378 7.734) 7.743 4.489 ( 0.000 5.407 9.211) 10.681 4.650 ( 0.000 -0.398 0.261) 0.476 4.893 ( 0.000 -3.831 3.253) 5.025 5.482 ( 0.000 2.923 0.222) 2.931 5.638 ( 0.000 -1.189 1.326) 1.780 5.734 ( 0.000 0.375 5.762) 5.774 5.826 ( 0.000 0.344 1.317) 1.362 6.041 ( 0.000 5.100 6.961) 8.629 6.276 ( 0.000 11.804 -0.240) 11.807 6.511 ( 0.000 -4.831 -3.825) 6.162 6.679 ( 0.000 3.042 -5.194) 6.020 6.857 ( 0.000 2.443 6.574) 7.013 7.234 ( 0.000 -3.016 6.890) 7.521 7.255 ( 0.000 3.838 7.659) 8.567 7.470 ( 0.000 0.881 -2.584) 2.730 7.508 ( 0.000 -3.023 10.697) 11.116 7.626 ( 0.000 -4.382 -2.101) 4.860 8.186 ( 0.000 -6.343 -7.727) 9.997 8.373 ( 0.000 -8.693 -6.959) 11.136 11.738 ( 0.000 65.011 0.741) 65.015 11.775 ( 0.000 71.110 0.738) 71.114 11.776 ( 0.000 66.286 0.451) 66.288 11.878 ( 0.000 66.782 -1.071) 66.790 12.177 ( 0.000 22.389 0.930) 22.408 12.304 ( 0.000 25.218 -2.441) 25.336 12.608 ( 0.000 26.265 4.926) 26.723 12.994 ( 0.000 23.671 -3.836) 23.980 15.338 ( 0.000 -27.470 1.222) 27.497 15.465 ( 0.000 -27.498 -0.934) 27.513 15.519 ( 0.000 -25.445 0.828) 25.459 15.686 ( 0.000 -26.779 -2.831) 26.928 17.323 ( 0.000 -55.243 0.858) 55.250 17.329 ( 0.000 -56.490 0.811) 56.495 17.417 ( 0.000 -56.544 -0.648) 56.547 17.442 ( 0.000 -57.613 -0.995) 57.622 19.803 ( 0.000 0.765 6.357) 6.403 19.813 ( 0.000 0.939 5.652) 5.730 19.979 ( 0.000 -2.917 10.564) 10.959 19.990 ( 0.000 -3.944 11.226) 11.899 20.330 ( 0.000 7.476 -5.167) 9.088 20.361 ( 0.000 7.246 -5.030) 8.821 20.833 ( 0.000 -6.808 -7.016) 9.777 20.838 ( 0.000 -6.568 -7.031) 9.621 24.363 ( 0.000 55.478 2.460) 55.532 24.579 ( 0.000 51.726 -1.979) 51.764 24.649 ( 0.000 51.530 0.503) 51.533 24.678 ( 0.000 49.893 0.007) 49.893 27.764 ( 0.000 -53.334 1.488) 53.355 27.855 ( 0.000 -52.905 0.783) 52.911 27.889 ( 0.000 -55.753 -0.954) 55.761 27.952 ( 0.000 -55.347 -1.234) 55.361 36.620 ( 0.000 30.101 7.824) 31.102 36.759 ( 0.000 29.230 12.247) 31.692 37.320 ( 0.000 12.179 7.247) 14.172 37.410 ( 0.000 13.080 6.345) 14.537 37.431 ( 0.000 30.582 -8.970) 31.870 37.973 ( 0.000 16.522 -6.125) 17.621 38.161 ( 0.000 24.780 -9.094) 26.396 38.646 ( 0.000 7.277 -29.508) 30.392 41.785 ( 0.000 11.380 4.432) 12.212 41.880 ( 0.000 8.647 -0.130) 8.648 42.075 ( 0.000 4.377 7.406) 8.603 42.424 ( 0.000 -7.475 3.635) 8.312 42.685 ( 0.000 -6.593 -3.360) 7.399 42.754 ( 0.000 -13.986 -1.657) 14.083 42.932 ( 0.000 -9.582 -3.580) 10.229 43.338 ( 0.000 -23.432 -16.325) 28.559 ======================= Grid point 131 (50/90) ======================= q-point: ( 0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 4.655 13.605 4.579) 15.091 2.465 ( -7.369 11.097 -1.965) 13.464 2.632 ( -1.131 5.948 1.490) 6.235 2.721 ( -4.690 6.174 -4.512) 8.971 2.969 ( 3.846 8.966 2.963) 10.196 3.081 ( -0.855 9.654 -1.412) 9.794 3.295 ( 2.354 1.391 -4.298) 5.094 3.340 ( 0.005 -2.194 -8.679) 8.952 3.385 ( 0.064 11.215 1.661) 11.337 3.498 ( -3.183 1.189 -1.901) 3.893 3.614 ( 3.729 -4.883 -1.748) 6.388 3.768 ( 3.561 -1.733 -10.459) 11.184 3.853 ( 5.881 0.141 -0.608) 5.914 3.879 ( 4.164 -1.198 -1.193) 4.494 3.960 ( -3.533 -8.887 -3.609) 10.222 4.112 ( -4.090 -1.385 -6.787) 8.044 4.369 ( -0.767 0.795 7.810) 7.888 4.441 ( -3.070 2.951 9.601) 10.503 4.736 ( 5.057 -0.844 -0.160) 5.129 4.858 ( -2.512 -3.023 1.999) 4.410 5.553 ( 6.166 2.962 2.250) 7.201 5.663 ( 3.557 0.102 2.094) 4.129 5.784 ( 3.086 0.390 4.713) 5.647 5.833 ( -1.366 2.364 4.695) 5.431 6.041 ( 0.725 2.124 2.959) 3.714 6.247 ( -0.246 9.536 -0.404) 9.547 6.348 ( -11.737 -2.134 -0.329) 11.934 6.584 ( -8.443 3.443 -5.220) 10.506 6.983 ( 8.161 1.165 4.374) 9.332 7.209 ( -2.344 -0.489 6.305) 6.745 7.298 ( 3.643 1.130 7.487) 8.402 7.432 ( -1.991 -1.122 4.599) 5.136 7.547 ( 1.755 -1.519 2.997) 3.791 7.611 ( -1.366 -3.458 -2.301) 4.373 8.195 ( 0.957 -6.928 -7.396) 10.178 8.316 ( -4.425 -8.624 -6.623) 11.739 11.738 ( -0.030 63.964 0.676) 63.968 11.760 ( -1.127 69.008 0.709) 69.021 11.768 ( -0.065 68.107 0.405) 68.108 11.845 ( -2.552 67.549 -0.685) 67.601 12.315 ( 10.112 22.696 0.144) 24.847 12.380 ( 7.833 25.662 -1.369) 26.866 12.573 ( -3.255 26.685 3.890) 27.163 12.901 ( -8.714 22.908 -3.403) 24.745 15.366 ( 2.465 -26.662 1.250) 26.805 15.470 ( -0.676 -25.289 0.699) 25.308 15.524 ( 1.548 -27.716 -1.023) 27.778 15.657 ( -2.609 -27.139 -2.667) 27.394 17.328 ( 0.369 -55.555 0.884) 55.564 17.332 ( 0.227 -56.525 0.854) 56.532 17.419 ( 0.223 -56.508 -0.758) 56.513 17.437 ( -0.418 -57.335 -0.992) 57.345 19.804 ( 0.137 0.785 6.260) 6.311 19.811 ( -0.121 0.908 5.762) 5.834 19.980 ( 0.099 -3.020 10.642) 11.063 19.988 ( -0.192 -3.745 11.111) 11.727 20.335 ( 0.426 7.438 -5.145) 9.054 20.357 ( -0.406 7.276 -5.049) 8.865 20.833 ( 0.054 -6.754 -7.030) 9.749 20.837 ( -0.082 -6.584 -7.039) 9.639 24.397 ( 3.256 55.189 2.249) 55.330 24.588 ( 0.457 52.004 -1.456) 52.026 24.608 ( -3.916 51.786 0.474) 51.936 24.651 ( -1.622 50.516 -0.131) 50.542 27.777 ( 1.252 -53.323 1.388) 53.356 27.843 ( -1.193 -53.047 0.922) 53.068 27.897 ( 0.787 -55.655 -1.030) 55.670 27.942 ( -0.885 -55.388 -1.198) 55.408 36.639 ( 1.681 29.988 8.372) 31.180 36.736 ( -2.027 29.352 11.507) 31.592 37.332 ( 1.129 12.358 6.951) 14.223 37.389 ( -1.086 13.274 5.666) 14.473 37.562 ( 11.612 28.839 -9.601) 32.538 37.998 ( 2.321 17.692 -6.555) 19.010 38.132 ( -2.557 23.475 -8.696) 25.164 38.386 ( -21.341 14.689 -23.656) 35.083 41.840 ( 3.747 9.533 5.019) 11.406 42.025 ( -2.646 5.377 7.022) 9.232 42.112 ( 17.564 0.425 -3.076) 17.837 42.453 ( 2.001 -6.411 2.082) 7.031 42.683 ( -0.190 -6.563 -3.047) 7.238 42.743 ( -1.246 -13.958 -2.336) 14.207 42.936 ( 1.026 -10.609 -4.258) 11.478 43.238 ( -9.068 -21.024 -14.810) 27.269 ======================= Grid point 132 (51/90) ======================= q-point: (-0.50 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 133 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -7.924 12.304 0.913) 14.664 2.299 ( 7.924 12.304 0.913) 14.664 2.636 ( -2.342 5.273 -1.933) 6.084 2.636 ( 2.342 5.273 -1.933) 6.084 3.049 ( -2.709 12.818 2.161) 13.279 3.049 ( 2.709 12.818 2.161) 13.279 3.327 ( -0.852 -3.012 -4.200) 5.238 3.327 ( 0.852 -3.012 -4.200) 5.238 3.424 ( -3.352 7.632 -4.428) 9.438 3.424 ( 3.352 7.632 -4.428) 9.438 3.732 ( -6.238 -5.716 -2.019) 8.698 3.732 ( 6.238 -5.716 -2.019) 8.698 3.927 ( -0.222 -3.337 -1.552) 3.687 3.927 ( 0.222 -3.337 -1.552) 3.687 3.999 ( -6.412 -1.034 -7.892) 10.221 3.999 ( 6.412 -1.034 -7.892) 10.221 4.382 ( -2.170 1.943 9.633) 10.064 4.382 ( 2.170 1.943 9.633) 10.064 4.809 ( -2.383 -2.535 -0.019) 3.479 4.809 ( 2.383 -2.535 -0.019) 3.479 5.707 ( -7.248 3.109 4.824) 9.245 5.707 ( 7.248 3.109 4.824) 9.245 5.784 ( -5.226 2.124 3.830) 6.818 5.784 ( 5.226 2.124 3.830) 6.818 6.117 ( -8.573 0.216 1.429) 8.694 6.117 ( 8.573 0.216 1.429) 8.694 6.370 ( -10.414 3.946 -3.533) 11.683 6.370 ( 10.414 3.946 -3.533) 11.683 7.129 ( -5.471 1.076 4.995) 7.486 7.129 ( 5.471 1.076 4.995) 7.486 7.380 ( -3.455 -0.859 7.123) 7.963 7.380 ( 3.455 -0.859 7.123) 7.963 7.577 ( -1.554 -2.012 -1.259) 2.837 7.577 ( 1.554 -2.012 -1.259) 2.837 8.234 ( -2.940 -8.077 -6.717) 10.909 8.234 ( 2.940 -8.077 -6.717) 10.909 11.740 ( -0.534 65.716 0.838) 65.723 11.740 ( 0.534 65.716 0.838) 65.723 11.792 ( -2.145 68.556 -0.152) 68.590 11.792 ( 2.145 68.556 -0.152) 68.590 12.469 ( -5.708 26.905 1.654) 27.553 12.469 ( 5.708 26.905 1.654) 27.553 12.652 ( -14.075 22.048 -2.170) 26.248 12.652 ( 14.075 22.048 -2.170) 26.248 15.426 ( -2.918 -25.258 1.356) 25.462 15.426 ( 2.918 -25.258 1.356) 25.462 15.587 ( -3.732 -27.954 -2.240) 28.291 15.587 ( 3.732 -27.954 -2.240) 28.291 17.334 ( -0.135 -56.221 0.910) 56.228 17.334 ( 0.135 -56.221 0.910) 56.228 17.427 ( -0.479 -56.759 -0.934) 56.768 17.427 ( 0.479 -56.759 -0.934) 56.768 19.808 ( -0.185 0.840 6.018) 6.079 19.808 ( 0.185 0.840 6.018) 6.079 19.983 ( -0.206 -3.334 10.858) 11.360 19.983 ( 0.206 -3.334 10.858) 11.360 20.346 ( -0.587 7.353 -5.095) 8.965 20.346 ( 0.587 7.353 -5.095) 8.965 20.835 ( -0.097 -6.651 -7.046) 9.689 20.835 ( 0.097 -6.651 -7.046) 9.689 24.492 ( -5.579 54.071 1.592) 54.381 24.492 ( 5.579 54.071 1.592) 54.381 24.617 ( -1.566 51.106 -0.953) 51.139 24.617 ( 1.566 51.106 -0.953) 51.139 27.810 ( -1.740 -53.244 1.157) 53.285 27.810 ( 1.740 -53.244 1.157) 53.285 27.919 ( -1.195 -55.499 -1.116) 55.523 27.919 ( 1.195 -55.499 -1.116) 55.523 36.685 ( -2.593 29.678 9.839) 31.374 36.685 ( 2.593 29.678 9.839) 31.374 37.362 ( -1.497 12.467 6.546) 14.160 37.362 ( 1.497 12.467 6.546) 14.160 37.907 ( -20.520 24.567 -14.921) 35.317 37.907 ( 20.520 24.567 -14.921) 35.317 38.069 ( -3.024 20.479 -7.908) 22.160 38.069 ( 3.024 20.479 -7.908) 22.160 41.933 ( -4.889 6.927 6.660) 10.781 41.933 ( 4.889 6.927 6.660) 10.781 42.430 ( -7.533 -6.180 -2.545) 10.071 42.430 ( 7.533 -6.180 -2.545) 10.071 42.697 ( -2.303 -10.502 -3.408) 11.278 42.697 ( 2.303 -10.502 -3.408) 11.278 43.026 ( -8.585 -14.542 -8.873) 19.076 43.026 ( 8.585 -14.542 -8.873) 19.076 ======================= Grid point 135 (52/90) ======================= q-point: ( 0.00 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 15.101 0.593) 15.113 2.704 ( 0.000 -6.151 -7.069) 9.371 2.816 ( 0.000 6.062 -4.902) 7.796 2.819 ( 0.000 -1.581 -5.419) 5.645 2.914 ( 0.000 8.606 -2.107) 8.860 3.180 ( 0.000 -14.239 1.823) 14.355 3.195 ( 0.000 4.053 -4.302) 5.911 3.275 ( 0.000 -3.775 -3.493) 5.143 3.505 ( 0.000 8.983 -1.148) 9.056 3.634 ( 0.000 8.881 2.793) 9.310 3.651 ( 0.000 -2.629 -1.415) 2.985 3.681 ( 0.000 1.258 -3.305) 3.536 3.746 ( 0.000 -0.851 -3.083) 3.198 3.827 ( 0.000 -8.338 -5.378) 9.922 3.962 ( 0.000 7.194 -3.593) 8.041 4.077 ( 0.000 -3.904 -4.556) 6.000 4.437 ( 0.000 3.661 7.553) 8.393 4.513 ( 0.000 -2.511 9.267) 9.601 4.692 ( 0.000 4.298 3.736) 5.695 4.797 ( 0.000 -5.115 5.624) 7.602 5.577 ( 0.000 5.718 2.559) 6.264 5.667 ( 0.000 3.925 -0.044) 3.925 5.692 ( 0.000 -4.365 5.373) 6.922 5.768 ( 0.000 -4.791 0.197) 4.795 6.171 ( 0.000 7.300 4.246) 8.445 6.347 ( 0.000 -9.172 -0.550) 9.189 6.512 ( 0.000 9.861 -3.042) 10.320 6.660 ( 0.000 -4.131 -4.675) 6.239 6.937 ( 0.000 5.622 7.899) 9.695 7.094 ( 0.000 -8.536 7.894) 11.627 7.335 ( 0.000 4.000 8.543) 9.433 7.426 ( 0.000 -4.545 8.767) 9.875 7.510 ( 0.000 2.374 -4.569) 5.149 7.554 ( 0.000 -2.220 -3.711) 4.324 8.110 ( 0.000 -0.146 -7.240) 7.241 8.192 ( 0.000 -7.413 -7.121) 10.279 12.628 ( 0.000 18.157 1.375) 18.209 12.697 ( 0.000 20.052 1.287) 20.094 12.795 ( 0.000 18.962 -2.767) 19.163 12.831 ( 0.000 24.562 -1.826) 24.630 12.984 ( 0.000 33.473 1.764) 33.520 13.080 ( 0.000 15.765 3.826) 16.223 13.089 ( 0.000 39.803 -0.673) 39.809 13.359 ( 0.000 8.292 -2.655) 8.706 15.181 ( 0.000 19.605 0.678) 19.617 15.271 ( 0.000 17.561 -1.116) 17.597 15.333 ( 0.000 14.744 1.063) 14.782 15.451 ( 0.000 10.630 -1.659) 10.758 16.096 ( 0.000 -58.171 0.672) 58.175 16.142 ( 0.000 -54.860 0.676) 54.865 16.179 ( 0.000 -57.903 -0.966) 57.911 16.212 ( 0.000 -55.360 -0.693) 55.364 19.845 ( 0.000 2.833 7.841) 8.337 19.855 ( 0.000 2.715 7.331) 7.818 19.911 ( 0.000 -3.390 9.271) 9.871 19.917 ( 0.000 -3.156 9.019) 9.555 20.500 ( 0.000 8.486 -6.177) 10.496 20.524 ( 0.000 8.045 -6.054) 10.069 20.675 ( 0.000 -8.111 -6.826) 10.601 20.689 ( 0.000 -7.581 -6.778) 10.169 25.519 ( 0.000 54.957 1.663) 54.982 25.659 ( 0.000 51.613 -1.170) 51.626 25.721 ( 0.000 50.171 0.302) 50.172 25.726 ( 0.000 51.493 0.006) 51.493 26.654 ( 0.000 -53.429 1.278) 53.444 26.749 ( 0.000 -53.113 -0.596) 53.116 26.774 ( 0.000 -50.833 0.439) 50.835 26.819 ( 0.000 -53.132 -0.652) 53.136 37.144 ( 0.000 19.163 8.568) 20.991 37.262 ( 0.000 18.304 10.250) 20.979 37.397 ( 0.000 -4.600 8.359) 9.541 37.501 ( 0.000 -4.036 7.930) 8.898 37.928 ( 0.000 16.878 -7.983) 18.671 38.125 ( 0.000 -1.537 -6.961) 7.128 38.543 ( 0.000 12.264 -13.361) 18.136 38.693 ( 0.000 -2.411 -19.681) 19.828 42.067 ( 0.000 11.889 1.834) 12.029 42.073 ( 0.000 12.726 3.278) 13.142 42.243 ( 0.000 11.171 2.053) 11.358 42.256 ( 0.000 -8.545 2.349) 8.862 42.408 ( 0.000 -16.231 1.250) 16.279 42.504 ( 0.000 -12.614 -1.160) 12.667 42.845 ( 0.000 1.388 -5.838) 6.001 42.976 ( 0.000 -11.426 -10.221) 15.330 ======================= Grid point 136 (53/90) ======================= q-point: ( 0.25 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 2.541 12.863 -1.338) 13.179 2.653 ( -4.020 2.970 -8.277) 9.669 2.702 ( -4.817 -0.497 -3.760) 6.131 2.790 ( -5.595 1.188 -9.114) 10.760 2.996 ( 6.863 2.249 4.638) 8.583 3.174 ( 0.136 -10.965 1.593) 11.081 3.260 ( 4.296 6.198 -3.166) 8.179 3.354 ( 4.124 -0.613 -2.949) 5.107 3.512 ( 1.107 6.655 -1.852) 6.996 3.610 ( -0.286 6.323 -1.236) 6.449 3.641 ( -2.731 3.133 -2.714) 4.964 3.696 ( 0.092 -4.479 0.538) 4.512 3.761 ( 1.629 -2.657 -2.858) 4.228 3.798 ( -1.062 -7.275 -3.644) 8.206 3.995 ( 2.548 5.784 -5.107) 8.126 4.088 ( 0.200 -1.701 -6.059) 6.297 4.410 ( -1.452 2.378 6.894) 7.436 4.468 ( -2.865 -0.094 9.977) 10.381 4.710 ( 1.130 -1.180 2.669) 3.129 4.809 ( -0.220 -1.419 4.417) 4.644 5.638 ( 5.363 4.718 3.454) 7.934 5.699 ( 4.329 1.398 2.987) 5.443 5.767 ( 6.102 -0.712 3.817) 7.233 5.830 ( 3.630 -2.592 2.451) 5.089 6.079 ( -5.866 1.943 3.401) 7.053 6.265 ( -7.175 -4.040 1.674) 8.402 6.445 ( -5.313 8.492 -3.204) 10.517 6.581 ( -7.740 -3.241 -5.074) 9.806 7.000 ( 5.712 1.121 6.051) 8.396 7.131 ( 2.031 -4.418 6.790) 8.352 7.331 ( 0.082 2.173 8.346) 8.625 7.391 ( -2.218 -2.744 7.435) 8.230 7.527 ( 1.002 -0.196 -3.269) 3.425 7.562 ( 0.224 -0.917 -3.450) 3.577 8.102 ( -0.531 -1.297 -7.176) 7.312 8.154 ( -2.923 -5.940 -6.994) 9.630 12.694 ( 1.479 20.458 0.928) 20.533 12.700 ( 3.508 17.428 1.103) 17.812 12.794 ( 0.989 21.755 -1.415) 21.823 12.858 ( 1.011 22.698 -1.852) 22.796 12.987 ( 1.369 31.247 1.650) 31.320 13.072 ( 0.405 26.307 1.318) 26.343 13.104 ( 0.285 28.182 0.609) 28.190 13.288 ( -6.418 11.814 -1.962) 13.587 15.208 ( 2.370 18.480 0.608) 18.641 15.285 ( 0.945 16.187 -0.469) 16.221 15.321 ( -0.637 15.170 0.301) 15.187 15.421 ( -2.617 11.128 -1.546) 11.535 16.105 ( 0.752 -57.359 0.650) 57.368 16.137 ( -0.484 -54.988 0.667) 54.994 16.186 ( 0.586 -57.615 -0.932) 57.626 16.209 ( -0.303 -55.726 -0.735) 55.732 19.846 ( 0.125 2.805 7.775) 8.267 19.853 ( -0.132 2.719 7.418) 7.902 19.912 ( 0.074 -3.335 9.222) 9.807 19.916 ( -0.080 -3.172 9.046) 9.586 20.504 ( 0.328 8.412 -6.159) 10.431 20.521 ( -0.322 8.099 -6.072) 10.127 20.677 ( 0.191 -8.017 -6.824) 10.530 20.687 ( -0.173 -7.644 -6.790) 10.226 25.544 ( 2.355 54.404 1.473) 54.475 25.665 ( 0.418 51.320 -0.905) 51.330 25.690 ( -2.794 51.351 0.324) 51.428 25.712 ( -0.995 51.239 -0.122) 51.249 26.671 ( 1.577 -52.995 1.171) 53.032 26.750 ( -0.764 -52.035 0.166) 52.041 26.765 ( 0.063 -52.126 -0.189) 52.126 26.807 ( -0.972 -53.218 -0.628) 53.231 37.159 ( 1.404 19.021 8.770) 20.992 37.241 ( -1.778 18.339 9.950) 20.940 37.411 ( 1.275 -4.510 8.227) 9.468 37.482 ( -1.582 -3.961 7.849) 8.934 38.022 ( 8.624 15.000 -9.016) 19.511 38.181 ( 5.143 0.163 -7.723) 9.280 38.476 ( -6.035 9.710 -12.307) 16.798 38.556 ( -11.826 2.109 -17.027) 20.838 42.085 ( 1.264 12.712 3.715) 13.304 42.169 ( 6.276 4.684 0.174) 7.833 42.188 ( -0.633 7.866 3.629) 8.686 42.336 ( 3.574 -3.014 0.037) 4.675 42.425 ( 1.747 -14.384 1.006) 14.525 42.497 ( -0.481 -11.807 -1.365) 11.896 42.821 ( -1.731 -0.077 -5.859) 6.110 42.921 ( -4.871 -9.604 -9.332) 14.250 ======================= Grid point 137 (54/90) ======================= q-point: (-0.50 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 133 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -5.675 8.818 -5.374) 11.783 2.534 ( 5.675 8.818 -5.375) 11.783 2.691 ( -2.833 -0.046 -6.047) 6.678 2.691 ( 2.833 -0.046 -6.047) 6.678 3.126 ( -4.768 -4.368 4.274) 7.751 3.126 ( 4.768 -4.368 4.274) 7.751 3.356 ( -3.620 6.501 -2.863) 7.973 3.356 ( 3.620 6.501 -2.863) 7.973 3.565 ( -3.546 3.190 -3.468) 5.898 3.565 ( 3.546 3.190 -3.468) 5.898 3.645 ( -2.841 -0.681 -0.302) 2.937 3.645 ( 2.841 -0.681 -0.302) 2.937 3.796 ( -0.776 -6.104 -2.181) 6.528 3.796 ( 0.776 -6.104 -2.181) 6.528 4.056 ( -2.992 2.523 -7.201) 8.196 4.056 ( 2.992 2.523 -7.201) 8.196 4.415 ( -1.865 1.016 8.612) 8.870 4.415 ( 1.865 1.016 8.612) 8.870 4.760 ( -3.491 -1.540 2.330) 4.471 4.760 ( 3.491 -1.540 2.330) 4.471 5.769 ( -4.632 2.285 4.508) 6.856 5.769 ( 4.632 2.285 4.508) 6.856 5.831 ( -2.854 1.348 6.186) 6.945 5.831 ( 2.854 1.348 6.186) 6.945 6.098 ( -8.008 -1.026 1.028) 8.139 6.098 ( 8.008 -1.026 1.028) 8.139 6.411 ( -5.037 0.567 -4.418) 6.724 6.411 ( 5.037 0.567 -4.418) 6.724 7.117 ( -3.898 -1.018 5.041) 6.453 7.117 ( 3.898 -1.018 5.041) 6.453 7.350 ( -1.629 -1.114 8.166) 8.401 7.350 ( 1.629 -1.114 8.166) 8.401 7.551 ( -1.135 -0.478 -3.480) 3.691 7.551 ( 1.135 -0.478 -3.480) 3.691 8.105 ( -1.252 -3.521 -6.997) 7.932 8.105 ( 1.252 -3.521 -6.997) 7.932 12.718 ( -1.369 21.702 1.238) 21.780 12.718 ( 1.369 21.702 1.238) 21.780 12.850 ( -2.012 21.085 -1.471) 21.231 12.850 ( 2.012 21.085 -1.471) 21.231 13.061 ( -3.729 24.089 0.772) 24.388 13.061 ( 3.729 24.089 0.772) 24.388 13.137 ( -5.550 23.488 -0.321) 24.137 13.137 ( 5.550 23.488 -0.321) 24.137 15.262 ( -2.456 16.536 0.726) 16.733 15.262 ( 2.456 16.536 0.726) 16.733 15.356 ( -3.203 13.189 -1.318) 13.636 15.356 ( 3.203 13.189 -1.318) 13.636 16.122 ( -0.853 -55.886 0.643) 55.896 16.122 ( 0.853 -55.886 0.643) 55.896 16.200 ( -0.626 -56.678 -0.836) 56.688 16.200 ( 0.626 -56.678 -0.836) 56.688 19.850 ( -0.182 2.750 7.607) 8.091 19.850 ( 0.182 2.750 7.607) 8.091 19.914 ( -0.109 -3.235 9.123) 9.680 19.914 ( 0.109 -3.235 9.123) 9.680 20.512 ( -0.458 8.245 -6.115) 10.276 20.512 ( 0.458 8.245 -6.115) 10.276 20.682 ( -0.257 -7.815 -6.812) 10.371 20.682 ( 0.257 -7.815 -6.812) 10.371 25.611 ( -3.792 52.858 0.977) 53.003 25.611 ( 3.792 52.858 0.977) 53.003 25.688 ( -1.147 51.345 -0.608) 51.361 25.688 ( 1.147 51.345 -0.608) 51.361 26.713 ( -2.215 -52.018 0.886) 52.073 26.713 ( 2.215 -52.018 0.886) 52.073 26.783 ( -1.203 -53.108 -0.600) 53.125 26.783 ( 1.203 -53.108 -0.600) 53.125 37.198 ( -2.161 18.646 9.313) 20.954 37.198 ( 2.161 18.646 9.313) 20.954 37.445 ( -1.859 -4.232 7.973) 9.216 37.445 ( 1.859 -4.232 7.973) 9.216 38.260 ( -11.971 9.306 -12.045) 19.364 38.260 ( 11.971 9.306 -12.045) 19.364 38.331 ( -6.151 5.028 -10.146) 12.887 38.331 ( 6.151 5.028 -10.146) 12.887 42.126 ( -2.575 10.445 3.887) 11.438 42.126 ( 2.575 10.445 3.887) 11.438 42.329 ( -4.633 -4.068 -0.518) 6.188 42.329 ( 4.633 -4.068 -0.518) 6.188 42.478 ( -2.067 -9.300 -1.040) 9.583 42.478 ( 2.067 -9.300 -1.040) 9.583 42.821 ( -2.949 -4.771 -7.028) 8.992 42.821 ( 2.949 -4.771 -7.028) 8.992 ======================= Grid point 165 (55/90) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 0.000 19.970) 19.970 1.317 ( 0.000 0.000 21.411) 21.411 1.887 ( 0.000 0.000 -7.027) 7.027 2.020 ( 0.000 0.000 -14.773) 14.773 2.211 ( 0.000 0.000 12.719) 12.719 2.317 ( 0.000 0.000 5.479) 5.479 2.467 ( 0.000 0.000 4.871) 4.871 2.568 ( 0.000 0.000 25.714) 25.714 2.689 ( 0.000 0.000 -5.546) 5.546 3.115 ( 0.000 0.000 1.457) 1.457 3.377 ( 0.000 0.000 16.189) 16.189 3.512 ( 0.000 0.000 -3.305) 3.305 3.746 ( 0.000 0.000 -18.708) 18.708 3.803 ( 0.000 0.000 6.570) 6.570 3.977 ( 0.000 0.000 -2.035) 2.035 4.078 ( 0.000 0.000 -7.602) 7.602 4.459 ( 0.000 0.000 -4.804) 4.804 4.576 ( 0.000 0.000 -4.631) 4.631 4.591 ( 0.000 0.000 2.479) 2.479 4.690 ( 0.000 0.000 -2.057) 2.057 4.706 ( 0.000 0.000 3.251) 3.251 4.830 ( 0.000 0.000 -1.891) 1.891 4.918 ( 0.000 0.000 -10.275) 10.275 4.923 ( 0.000 0.000 -11.287) 11.287 5.570 ( 0.000 0.000 1.525) 1.525 5.704 ( 0.000 0.000 -3.775) 3.775 5.857 ( 0.000 0.000 7.874) 7.874 6.107 ( 0.000 0.000 -4.270) 4.270 6.482 ( 0.000 0.000 12.237) 12.237 6.964 ( 0.000 0.000 6.690) 6.690 7.005 ( 0.000 0.000 -14.677) 14.677 7.208 ( 0.000 0.000 -4.205) 4.205 7.893 ( 0.000 0.000 19.747) 19.747 8.474 ( 0.000 0.000 3.948) 3.948 8.525 ( 0.000 0.000 -11.286) 11.286 8.529 ( 0.000 0.000 0.407) 0.407 9.057 ( 0.000 0.000 0.709) 0.709 9.090 ( 0.000 0.000 -0.993) 0.993 9.340 ( 0.000 0.000 0.712) 0.712 9.346 ( 0.000 0.000 0.952) 0.952 10.820 ( 0.000 0.000 1.267) 1.267 10.875 ( 0.000 0.000 -1.596) 1.596 11.127 ( 0.000 0.000 1.697) 1.697 11.180 ( 0.000 0.000 -1.033) 1.033 18.379 ( 0.000 0.000 1.234) 1.234 18.428 ( 0.000 0.000 -1.141) 1.141 18.445 ( 0.000 0.000 1.011) 1.011 18.480 ( 0.000 0.000 -0.766) 0.766 19.247 ( 0.000 0.000 0.924) 0.924 19.278 ( 0.000 0.000 -0.713) 0.713 19.281 ( 0.000 0.000 1.031) 1.031 19.322 ( 0.000 0.000 -0.941) 0.941 19.931 ( 0.000 0.000 8.534) 8.534 20.145 ( 0.000 0.000 -2.937) 2.937 20.235 ( 0.000 0.000 0.052) 0.052 20.237 ( 0.000 0.000 -0.179) 0.179 20.538 ( 0.000 0.000 0.889) 0.889 20.573 ( 0.000 0.000 -0.901) 0.901 20.578 ( 0.000 0.000 0.823) 0.823 20.615 ( 0.000 0.000 -1.000) 1.000 21.290 ( 0.000 0.000 9.272) 9.272 21.627 ( 0.000 0.000 -6.976) 6.976 21.731 ( 0.000 0.000 1.804) 1.804 21.804 ( 0.000 0.000 -1.892) 1.892 31.871 ( 0.000 0.000 0.622) 0.622 31.885 ( 0.000 0.000 0.526) 0.526 31.892 ( 0.000 0.000 -0.454) 0.454 31.904 ( 0.000 0.000 -0.338) 0.338 34.432 ( 0.000 0.000 0.293) 0.293 34.435 ( 0.000 0.000 0.324) 0.324 34.446 ( 0.000 0.000 -0.376) 0.376 34.450 ( 0.000 0.000 -0.395) 0.395 34.866 ( 0.000 0.000 1.226) 1.226 34.914 ( 0.000 0.000 -1.092) 1.092 35.004 ( 0.000 0.000 0.248) 0.248 35.009 ( 0.000 0.000 0.027) 0.027 41.528 ( 0.000 0.000 0.151) 0.151 41.560 ( 0.000 0.000 -1.325) 1.325 42.880 ( 0.000 0.000 6.572) 6.572 42.889 ( 0.000 0.000 36.781) 36.781 43.033 ( 0.000 0.000 9.891) 9.891 43.217 ( 0.000 0.000 -10.959) 10.959 43.456 ( 0.000 0.000 -10.904) 10.904 44.644 ( 0.000 0.000 -52.288) 52.288 ======================= Grid point 166 (56/90) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 16.057 0.000 15.237) 22.136 1.564 ( 23.517 0.000 14.248) 27.497 2.049 ( 4.005 0.000 -6.745) 7.844 2.087 ( 13.945 0.000 -7.289) 15.735 2.261 ( -10.802 0.000 11.666) 15.899 2.297 ( -7.982 0.000 4.894) 9.362 2.455 ( 18.907 0.000 11.834) 22.306 2.595 ( 15.018 0.000 -1.767) 15.121 2.881 ( -19.979 0.000 7.836) 21.461 2.919 ( 8.911 0.000 6.671) 11.131 3.105 ( -16.167 0.000 1.546) 16.240 3.407 ( -13.691 0.000 -9.780) 16.825 3.462 ( -5.676 0.000 8.011) 9.818 4.064 ( 0.337 0.000 -10.463) 10.469 4.101 ( -11.687 0.000 0.812) 11.716 4.168 ( 7.780 0.000 -2.546) 8.186 4.215 ( -9.068 0.000 -2.166) 9.323 4.375 ( 1.752 0.000 -10.594) 10.738 4.635 ( 2.341 0.000 3.013) 3.815 4.650 ( -6.649 0.000 1.423) 6.800 4.756 ( 2.343 0.000 4.439) 5.019 4.804 ( 2.234 0.000 -1.402) 2.637 4.868 ( -4.883 0.000 -9.160) 10.380 4.902 ( -1.224 0.000 -0.772) 1.447 5.740 ( 3.239 0.000 -2.009) 3.811 5.784 ( 13.812 0.000 -5.308) 14.797 5.861 ( -0.408 0.000 6.353) 6.366 6.152 ( 0.335 0.000 -8.658) 8.664 6.536 ( 5.526 0.000 12.065) 13.271 6.889 ( -6.888 0.000 8.286) 10.775 7.033 ( 5.224 0.000 -12.270) 13.336 7.247 ( 1.112 0.000 -10.068) 10.129 7.985 ( 8.489 0.000 18.943) 20.758 8.421 ( -5.900 0.000 6.204) 8.562 8.538 ( 1.254 0.000 -4.538) 4.708 8.548 ( 1.216 0.000 -5.436) 5.570 9.073 ( 1.964 0.000 -0.035) 1.964 9.075 ( -0.651 0.000 -0.025) 0.652 9.242 ( -7.505 0.000 1.528) 7.659 9.281 ( -5.571 0.000 0.041) 5.571 10.879 ( 5.253 0.000 0.944) 5.337 10.918 ( 3.752 0.000 -1.071) 3.902 11.095 ( -3.005 0.000 1.257) 3.257 11.132 ( -4.391 0.000 -0.691) 4.445 18.387 ( 0.784 0.000 1.177) 1.414 18.433 ( 0.526 0.000 -1.047) 1.172 18.434 ( -0.990 0.000 1.022) 1.423 18.471 ( -0.846 0.000 -0.830) 1.185 19.254 ( 0.571 0.000 0.961) 1.118 19.278 ( -0.306 0.000 1.016) 1.061 19.287 ( 0.707 0.000 -0.729) 1.016 19.317 ( -0.462 0.000 -0.892) 1.004 19.941 ( 1.295 0.000 8.326) 8.426 20.146 ( -7.243 0.000 2.821) 7.773 20.148 ( 0.414 0.000 -2.858) 2.888 20.210 ( -2.073 0.000 -0.847) 2.240 20.548 ( 0.783 0.000 1.052) 1.311 20.575 ( -0.277 0.000 0.954) 0.993 20.590 ( 1.219 0.000 -1.077) 1.627 20.616 ( 0.010 0.000 -1.034) 1.034 21.309 ( 2.063 0.000 9.646) 9.864 21.582 ( -10.860 0.000 6.972) 12.905 21.645 ( 1.659 0.000 -6.700) 6.903 21.767 ( -3.144 0.000 -3.300) 4.558 31.878 ( 0.449 0.000 0.536) 0.699 31.886 ( 0.056 0.000 0.488) 0.491 31.895 ( 0.289 0.000 -0.388) 0.484 31.904 ( -0.045 0.000 -0.323) 0.327 34.432 ( -0.047 0.000 0.295) 0.299 34.434 ( -0.121 0.000 0.310) 0.333 34.445 ( -0.027 0.000 -0.381) 0.381 34.448 ( -0.152 0.000 -0.390) 0.418 34.889 ( 1.998 0.000 1.064) 2.264 34.929 ( 1.354 0.000 -0.944) 1.651 34.989 ( -1.802 0.000 0.214) 1.814 34.992 ( -1.081 0.000 0.042) 1.082 41.736 ( 18.420 0.000 6.051) 19.389 42.176 ( 46.953 0.000 -20.408) 51.197 42.625 ( -16.852 0.000 22.490) 28.104 42.993 ( 2.848 0.000 16.911) 17.150 43.036 ( 0.125 0.000 11.343) 11.344 43.173 ( -4.738 0.000 -12.460) 13.330 43.538 ( 9.140 0.000 -15.055) 17.612 44.453 ( -18.337 0.000 -50.929) 54.130 ======================= Grid point 167 (57/90) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -16.607 0.000 12.443) 20.752 1.881 ( 16.607 0.000 12.443) 20.752 2.038 ( -15.358 0.000 2.232) 15.520 2.038 ( 15.358 0.000 2.232) 15.520 2.312 ( -21.929 0.000 6.713) 22.934 2.312 ( 21.929 0.000 6.713) 22.934 2.533 ( -19.632 0.000 -4.105) 20.057 2.533 ( 19.632 0.000 -4.105) 20.057 3.063 ( -20.126 0.000 -3.207) 20.380 3.063 ( 20.126 0.000 -3.207) 20.380 3.071 ( -10.254 0.000 -2.682) 10.599 3.071 ( 10.254 0.000 -2.682) 10.599 3.457 ( -19.029 0.000 15.918) 24.809 3.457 ( 19.029 0.000 15.918) 24.809 4.110 ( -4.474 0.000 -12.397) 13.179 4.110 ( 4.474 0.000 -12.397) 13.179 4.445 ( -12.262 0.000 2.616) 12.538 4.445 ( 12.262 0.000 2.616) 12.538 4.588 ( -9.127 0.000 -4.146) 10.025 4.588 ( 9.127 0.000 -4.146) 10.025 4.783 ( -1.672 0.000 1.139) 2.023 4.783 ( 1.672 0.000 1.139) 2.023 4.863 ( -2.546 0.000 -0.391) 2.576 4.863 ( 2.546 0.000 -0.391) 2.576 5.818 ( -3.501 0.000 2.287) 4.182 5.818 ( 3.501 0.000 2.287) 4.182 6.041 ( -9.991 0.000 -8.523) 13.133 6.041 ( 9.991 0.000 -8.523) 13.133 6.705 ( -9.697 0.000 10.947) 14.624 6.705 ( 9.697 0.000 10.947) 14.624 7.190 ( -6.743 0.000 -13.776) 15.338 7.190 ( 6.743 0.000 -13.776) 15.338 8.217 ( -12.369 0.000 13.951) 18.645 8.217 ( 12.369 0.000 13.951) 18.645 8.560 ( -0.365 0.000 -4.429) 4.444 8.560 ( 0.365 0.000 -4.429) 4.444 9.108 ( -4.335 0.000 0.956) 4.439 9.108 ( 4.335 0.000 0.956) 4.439 9.153 ( -5.657 0.000 -0.922) 5.732 9.153 ( 5.657 0.000 -0.922) 5.732 11.011 ( -4.675 0.000 0.148) 4.678 11.011 ( 4.675 0.000 0.148) 4.678 11.011 ( -6.716 0.000 0.132) 6.717 11.011 ( 6.716 0.000 0.132) 6.717 18.409 ( -1.259 0.000 1.077) 1.657 18.409 ( 1.259 0.000 1.077) 1.657 18.450 ( -1.026 0.000 -0.933) 1.386 18.450 ( 1.026 0.000 -0.933) 1.386 19.268 ( -0.643 0.000 1.003) 1.192 19.268 ( 0.643 0.000 1.003) 1.192 19.304 ( -0.819 0.000 -0.796) 1.142 19.304 ( 0.819 0.000 -0.796) 1.142 20.005 ( -5.152 0.000 6.866) 8.584 20.005 ( 5.152 0.000 6.866) 8.584 20.168 ( -1.584 0.000 -2.241) 2.744 20.168 ( 1.584 0.000 -2.241) 2.744 20.565 ( -0.721 0.000 1.127) 1.338 20.565 ( 0.721 0.000 1.127) 1.338 20.611 ( -0.634 0.000 -1.083) 1.255 20.611 ( 0.634 0.000 -1.083) 1.255 21.393 ( -6.410 0.000 9.943) 11.831 21.393 ( 6.410 0.000 9.943) 11.831 21.696 ( -3.205 0.000 -5.539) 6.400 21.696 ( 3.205 0.000 -5.539) 6.400 31.885 ( -0.197 0.000 0.497) 0.534 31.885 ( 0.197 0.000 0.497) 0.534 31.901 ( -0.217 0.000 -0.318) 0.385 31.901 ( 0.217 0.000 -0.318) 0.385 34.432 ( -0.053 0.000 0.298) 0.303 34.432 ( 0.053 0.000 0.298) 0.303 34.445 ( -0.055 0.000 -0.397) 0.401 34.445 ( 0.055 0.000 -0.397) 0.401 34.940 ( -2.670 0.000 0.650) 2.748 34.940 ( 2.670 0.000 0.650) 2.748 34.962 ( -1.665 0.000 -0.456) 1.726 34.962 ( 1.665 0.000 -0.456) 1.726 42.196 ( -23.182 0.000 16.769) 28.611 42.196 ( 23.182 0.000 16.769) 28.611 42.948 ( -20.853 0.000 -20.916) 29.535 42.948 ( 20.853 0.000 -20.916) 29.535 43.029 ( -0.937 0.000 13.296) 13.329 43.029 ( 0.937 0.000 13.296) 13.329 43.930 ( -27.680 0.000 -37.747) 46.809 43.930 ( 27.680 0.000 -37.747) 46.809 ======================= Grid point 170 (58/90) ======================= q-point: ( 0.00 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 21.584 17.127) 27.553 1.844 ( 0.000 21.013 19.825) 28.889 2.139 ( 0.000 10.790 -10.179) 14.834 2.288 ( 0.000 25.427 3.386) 25.652 2.388 ( 0.000 9.850 6.690) 11.907 2.479 ( 0.000 11.230 6.357) 12.904 2.581 ( 0.000 1.458 21.280) 21.329 2.693 ( 0.000 34.414 -6.472) 35.017 2.757 ( 0.000 4.546 -5.270) 6.960 3.136 ( 0.000 1.546 0.212) 1.560 3.466 ( 0.000 -4.004 -3.066) 5.042 3.572 ( 0.000 15.327 14.953) 21.413 3.687 ( 0.000 -5.289 -18.293) 19.042 3.880 ( 0.000 5.005 7.622) 9.118 4.244 ( 0.000 18.267 -6.819) 19.499 4.388 ( 0.000 21.547 -15.222) 26.382 4.547 ( 0.000 -6.756 3.087) 7.427 4.589 ( 0.000 18.974 -1.303) 19.019 4.591 ( 0.000 -5.579 0.839) 5.642 4.715 ( 0.000 -2.217 -0.488) 2.271 4.730 ( 0.000 -6.487 -1.338) 6.624 4.786 ( 0.000 22.259 -7.462) 23.476 5.028 ( 0.000 15.712 -2.546) 15.917 5.127 ( 0.000 20.920 -7.307) 22.159 5.573 ( 0.000 0.303 2.648) 2.665 5.716 ( 0.000 -0.016 -3.858) 3.858 5.867 ( 0.000 1.633 6.944) 7.133 6.087 ( 0.000 -1.816 -3.345) 3.807 6.545 ( 0.000 7.036 11.492) 13.475 6.950 ( 0.000 -1.054 6.595) 6.678 7.019 ( 0.000 2.700 -12.336) 12.628 7.182 ( 0.000 -1.898 -3.564) 4.038 7.842 ( 0.000 -4.316 18.401) 18.900 8.365 ( 0.000 -7.719 9.613) 12.329 8.466 ( 0.000 -5.320 -11.783) 12.928 8.563 ( 0.000 0.900 -2.255) 2.428 9.069 ( 0.000 2.745 1.412) 3.087 9.118 ( 0.000 3.922 -1.113) 4.077 9.344 ( 0.000 5.576 3.238) 6.448 9.459 ( 0.000 7.900 -2.919) 8.422 11.014 ( 0.000 16.298 1.026) 16.330 11.050 ( 0.000 14.631 -0.719) 14.648 11.255 ( 0.000 12.641 0.301) 12.645 11.267 ( 0.000 9.639 -0.239) 9.642 17.896 ( 0.000 -38.239 0.789) 38.247 17.932 ( 0.000 -37.525 -0.545) 37.529 17.957 ( 0.000 -37.784 -0.265) 37.785 17.982 ( 0.000 -38.116 -0.984) 38.128 19.210 ( 0.000 -3.983 1.410) 4.226 19.244 ( 0.000 -4.137 1.405) 4.369 19.259 ( 0.000 -3.113 -1.070) 3.292 19.298 ( 0.000 -3.141 -1.276) 3.391 20.185 ( 0.000 13.849 11.913) 18.268 20.409 ( 0.000 -12.245 0.665) 12.263 20.424 ( 0.000 -11.799 0.181) 11.801 20.433 ( 0.000 16.544 2.323) 16.706 20.463 ( 0.000 -11.595 -0.093) 11.596 20.485 ( 0.000 -11.073 -0.995) 11.118 20.585 ( 0.000 20.760 -1.757) 20.834 20.632 ( 0.000 22.031 -3.430) 22.297 21.524 ( 0.000 23.256 6.551) 24.161 21.772 ( 0.000 15.112 -2.952) 15.398 21.799 ( 0.000 18.401 2.641) 18.590 21.971 ( 0.000 17.828 -4.173) 18.310 31.259 ( 0.000 -47.883 2.352) 47.941 31.306 ( 0.000 -46.284 1.831) 46.320 31.354 ( 0.000 -45.721 -2.292) 45.778 31.385 ( 0.000 -44.744 -1.907) 44.785 34.680 ( 0.000 22.117 1.755) 22.187 34.733 ( 0.000 27.662 1.688) 27.713 34.800 ( 0.000 30.412 0.798) 30.423 35.208 ( 0.000 62.590 -22.777) 66.606 35.334 ( 0.000 39.334 3.938) 39.530 35.423 ( 0.000 38.422 2.289) 38.490 35.503 ( 0.000 43.085 -2.690) 43.169 35.562 ( 0.000 42.181 -2.909) 42.281 41.531 ( 0.000 0.495 0.491) 0.697 41.570 ( 0.000 1.042 -1.436) 1.774 42.810 ( 0.000 -7.183 34.705) 35.440 42.861 ( 0.000 -1.832 5.829) 6.110 42.980 ( 0.000 -4.621 7.729) 9.006 43.195 ( 0.000 -2.350 -8.839) 9.146 43.404 ( 0.000 -4.877 -10.060) 11.180 44.454 ( 0.000 -17.340 -48.514) 51.519 ======================= Grid point 171 (59/90) ======================= q-point: ( 0.25 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 9.975 13.490 14.332) 22.065 1.992 ( 13.453 20.197 15.477) 28.783 2.110 ( 1.128 6.021 -3.541) 7.075 2.279 ( -14.270 3.309 13.068) 19.630 2.380 ( -8.506 5.590 4.120) 10.980 2.513 ( 12.055 19.399 -5.722) 23.545 2.651 ( 18.929 17.753 6.927) 26.860 2.854 ( 7.959 22.988 -5.735) 24.994 2.876 ( 0.752 5.626 4.617) 7.317 3.034 ( 0.694 5.926 2.510) 6.473 3.214 ( -16.700 6.059 -2.108) 17.890 3.495 ( -9.874 5.145 -13.385) 17.410 3.552 ( -2.721 13.360 14.612) 19.985 4.091 ( -0.383 -1.208 -0.567) 1.388 4.260 ( -6.133 8.439 -3.274) 10.934 4.339 ( -0.325 10.645 -11.532) 15.698 4.419 ( -6.760 9.631 -2.065) 11.947 4.525 ( 3.164 25.475 -4.308) 26.030 4.634 ( -0.089 -3.847 1.495) 4.128 4.667 ( 4.377 8.195 1.873) 9.478 4.794 ( 1.271 -2.817 -0.420) 3.119 4.823 ( 3.052 5.762 -1.173) 6.625 4.937 ( -6.706 18.977 1.484) 20.182 5.059 ( -5.727 19.145 -5.424) 20.706 5.742 ( 7.780 -0.311 -1.319) 7.897 5.756 ( 6.201 -1.678 -1.798) 6.671 5.888 ( 2.050 2.275 2.904) 4.221 6.121 ( 0.330 -2.867 -6.964) 7.539 6.585 ( 4.193 5.635 11.121) 13.154 6.883 ( -6.128 -0.108 7.781) 9.905 7.028 ( 2.911 1.064 -10.025) 10.493 7.199 ( -0.075 -3.302 -8.087) 8.736 7.919 ( 7.095 -5.391 18.116) 20.189 8.301 ( -6.311 -8.634 11.384) 15.619 8.489 ( 2.071 -4.722 -9.844) 11.112 8.565 ( -0.279 -0.281 -3.852) 3.872 9.088 ( 2.234 3.507 1.303) 4.358 9.124 ( 0.933 5.432 -0.523) 5.537 9.289 ( -4.613 6.588 1.928) 8.270 9.358 ( -8.001 6.998 -1.570) 10.745 11.064 ( 4.202 15.436 0.806) 16.018 11.090 ( 3.295 14.841 -0.430) 15.209 11.236 ( -1.861 14.169 -0.048) 14.290 11.248 ( -1.937 10.908 -0.740) 11.103 17.903 ( 0.636 -38.337 0.801) 38.350 17.933 ( -0.114 -38.305 0.192) 38.306 17.954 ( -0.100 -36.994 -0.970) 37.007 17.976 ( -0.577 -37.729 -1.126) 37.750 19.216 ( 0.558 -4.036 1.419) 4.314 19.240 ( -0.351 -4.158 1.411) 4.405 19.266 ( 0.638 -3.124 -1.095) 3.371 19.294 ( -0.430 -3.150 -1.244) 3.414 20.201 ( 1.698 13.550 11.400) 17.789 20.368 ( -4.314 5.145 4.503) 8.085 20.418 ( -0.071 -7.631 0.513) 7.649 20.423 ( -0.252 -7.781 0.031) 7.785 20.473 ( 0.558 -9.420 -0.152) 9.437 20.496 ( 0.479 -6.326 -0.022) 6.344 20.569 ( -1.058 19.375 -2.881) 19.617 20.606 ( -1.886 21.047 -2.754) 21.310 21.533 ( 1.031 23.005 6.966) 24.059 21.703 ( -6.758 18.576 7.013) 20.975 21.795 ( 1.440 17.752 -5.541) 18.653 21.920 ( -3.765 17.621 -4.275) 18.519 31.268 ( 0.824 -47.733 2.260) 47.794 31.302 ( -0.461 -46.547 1.937) 46.590 31.360 ( 0.486 -45.646 -2.253) 45.705 31.382 ( -0.338 -44.942 -1.956) 44.986 34.689 ( 0.861 22.805 2.030) 22.911 34.735 ( -0.318 27.360 3.265) 27.556 34.807 ( 1.516 31.864 -2.293) 31.982 35.069 ( -9.951 52.899 -14.060) 55.633 35.358 ( 1.615 39.605 3.137) 39.762 35.418 ( -0.646 38.255 2.914) 38.372 35.508 ( 0.571 43.314 -3.138) 43.431 35.552 ( -0.927 42.479 -3.017) 42.596 41.732 ( 17.432 -0.296 5.847) 18.389 42.135 ( 43.633 -3.534 -17.833) 47.269 42.580 ( -16.010 -4.320 22.711) 28.121 42.948 ( 2.500 -4.181 12.771) 13.668 42.983 ( 0.273 -4.406 8.957) 9.986 43.155 ( -4.266 -2.126 -9.421) 10.558 43.470 ( 7.341 -6.223 -13.418) 16.512 44.271 ( -17.398 -16.517 -46.662) 52.468 ======================= Grid point 172 (60/90) ======================= q-point: (-0.50 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -14.804 5.449 12.999) 20.441 1.943 ( 14.804 5.449 12.999) 20.441 2.190 ( -7.589 7.021 -1.560) 10.456 2.190 ( 7.589 7.021 -1.560) 10.456 2.426 ( -23.128 9.725 11.470) 27.587 2.426 ( 23.128 9.725 11.470) 27.587 2.807 ( -15.041 14.494 -5.909) 21.707 2.807 ( 15.041 14.494 -5.909) 21.707 3.087 ( -4.297 5.360 -0.094) 6.871 3.087 ( 4.297 5.360 -0.094) 6.871 3.243 ( -14.606 12.601 -8.264) 20.986 3.243 ( 14.606 12.601 -8.264) 20.986 3.656 ( -19.507 18.861 14.808) 30.912 3.656 ( 19.507 18.861 14.808) 30.912 4.274 ( -2.320 11.262 -14.650) 18.624 4.274 ( 2.320 11.262 -14.650) 18.624 4.534 ( -9.232 2.406 4.743) 10.654 4.534 ( 9.232 2.406 4.743) 10.654 4.692 ( -5.201 6.533 -2.397) 8.688 4.692 ( 5.201 6.533 -2.397) 8.688 4.806 ( -4.360 11.941 3.444) 13.170 4.806 ( 4.360 11.941 3.444) 13.170 4.926 ( -6.001 12.647 -3.205) 14.360 4.926 ( 6.001 12.647 -3.205) 14.360 5.819 ( -2.490 0.373 2.288) 3.402 5.819 ( 2.490 0.373 2.288) 3.402 6.027 ( -8.564 -1.577 -7.873) 11.740 6.027 ( 8.564 -1.577 -7.873) 11.740 6.722 ( -8.254 2.422 9.978) 13.174 6.722 ( 8.254 2.422 9.978) 13.174 7.138 ( -5.596 -3.153 -10.803) 12.568 7.138 ( 5.596 -3.153 -10.803) 12.568 8.114 ( -10.522 -7.873 15.755) 20.517 8.114 ( 10.522 -7.873 15.755) 20.517 8.538 ( -2.184 -2.772 -6.605) 7.488 8.538 ( 2.184 -2.772 -6.605) 7.488 9.157 ( -0.703 6.216 1.616) 6.461 9.157 ( 0.703 6.216 1.616) 6.461 9.213 ( -1.838 6.168 -1.154) 6.539 9.213 ( 1.838 6.168 -1.154) 6.539 11.144 ( -0.926 12.736 1.159) 12.822 11.144 ( 0.926 12.736 1.159) 12.822 11.198 ( -0.723 15.930 -1.646) 16.031 11.198 ( 0.723 15.930 -1.646) 16.031 17.920 ( -0.894 -38.626 0.816) 38.645 17.920 ( 0.894 -38.626 0.816) 38.645 17.961 ( -0.689 -36.914 -1.418) 36.947 17.961 ( 0.689 -36.914 -1.418) 36.947 19.229 ( -0.634 -4.129 1.423) 4.413 19.229 ( 0.634 -4.129 1.423) 4.413 19.281 ( -0.748 -3.148 -1.167) 3.439 19.281 ( 0.748 -3.148 -1.167) 3.439 20.266 ( -4.550 11.533 9.208) 15.444 20.266 ( 4.550 11.533 9.208) 15.444 20.419 ( -0.126 -7.425 -0.095) 7.426 20.419 ( 0.126 -7.425 -0.095) 7.426 20.489 ( -0.887 -8.275 0.220) 8.326 20.489 ( 0.887 -8.275 0.220) 8.326 20.571 ( -1.250 18.909 -3.046) 19.193 20.571 ( 1.250 18.909 -3.046) 19.193 21.582 ( -4.028 21.878 7.775) 23.565 21.582 ( 4.028 21.878 7.775) 23.565 21.844 ( -3.184 17.392 -5.215) 18.434 21.844 ( 3.184 17.392 -5.215) 18.434 31.287 ( -0.879 -47.185 2.105) 47.240 31.287 ( 0.879 -47.185 2.105) 47.240 31.372 ( -0.578 -45.346 -2.097) 45.399 31.372 ( 0.578 -45.346 -2.097) 45.399 34.713 ( -1.363 24.825 2.960) 25.038 34.713 ( 1.363 24.825 2.960) 25.038 34.889 ( -6.441 39.693 -6.349) 40.710 34.889 ( 6.441 39.693 -6.349) 40.710 35.393 ( -1.595 38.629 3.375) 38.809 35.393 ( 1.595 38.629 3.375) 38.809 35.528 ( -1.213 43.069 -3.251) 43.209 35.528 ( 1.213 43.069 -3.251) 43.209 42.167 ( -21.988 -2.598 16.217) 27.445 42.167 ( 21.988 -2.598 16.217) 27.445 42.868 ( -17.429 -6.614 -13.099) 22.784 42.868 ( 17.429 -6.614 -13.099) 22.784 43.020 ( -4.694 -1.674 4.784) 6.908 43.020 ( 4.694 -1.674 4.784) 6.908 43.793 ( -23.985 -12.203 -32.804) 42.430 43.793 ( 23.985 -12.203 -32.804) 42.430 ======================= Grid point 175 (61/90) ======================= q-point: ( 0.00 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 3.657 19.505) 19.845 2.109 ( 0.000 28.135 11.033) 30.220 2.412 ( 0.000 12.379 6.030) 13.769 2.442 ( 0.000 3.807 -2.293) 4.444 2.546 ( 0.000 3.678 9.527) 10.213 2.657 ( 0.000 7.606 4.018) 8.602 2.831 ( 0.000 3.924 -4.818) 6.214 3.018 ( 0.000 20.925 1.336) 20.968 3.156 ( 0.000 0.159 -2.833) 2.837 3.268 ( 0.000 15.214 -12.082) 19.428 3.376 ( 0.000 -3.993 -3.311) 5.188 3.561 ( 0.000 -5.248 -15.793) 16.642 3.922 ( 0.000 4.686 10.447) 11.450 4.029 ( 0.000 19.604 12.345) 23.167 4.305 ( 0.000 -14.295 2.973) 14.601 4.341 ( 0.000 -4.631 -11.977) 12.841 4.403 ( 0.000 -13.401 -2.056) 13.558 4.602 ( 0.000 -2.883 3.942) 4.884 4.664 ( 0.000 10.378 -17.054) 19.964 4.700 ( 0.000 -1.628 -1.696) 2.351 5.290 ( 0.000 32.863 3.886) 33.092 5.392 ( 0.000 25.200 -1.863) 25.268 5.566 ( 0.000 -1.620 3.708) 4.046 5.692 ( 0.000 -1.396 -2.672) 3.015 5.703 ( 0.000 41.942 0.152) 41.942 5.795 ( 0.000 37.455 -5.307) 37.830 5.941 ( 0.000 5.242 3.617) 6.369 6.049 ( 0.000 -1.142 -0.489) 1.242 6.835 ( 0.000 20.704 8.895) 22.534 6.935 ( 0.000 -0.117 6.724) 6.725 7.160 ( 0.000 0.324 -2.979) 2.996 7.192 ( 0.000 14.385 -8.404) 16.660 7.736 ( 0.000 -5.537 15.508) 16.467 8.176 ( 0.000 -10.124 14.183) 17.426 8.323 ( 0.000 -7.846 -12.262) 14.558 8.532 ( 0.000 -4.393 -5.097) 6.729 9.336 ( 0.000 27.576 1.708) 27.629 9.391 ( 0.000 26.877 -0.986) 26.895 9.639 ( 0.000 24.819 2.397) 24.934 9.749 ( 0.000 22.779 -3.383) 23.029 11.370 ( 0.000 17.119 0.282) 17.122 11.383 ( 0.000 16.208 -0.321) 16.211 11.591 ( 0.000 23.098 3.447) 23.354 11.724 ( 0.000 28.361 -3.209) 28.541 17.025 ( 0.000 -42.457 1.863) 42.498 17.041 ( 0.000 -44.700 1.463) 44.724 17.106 ( 0.000 -43.441 -1.942) 43.484 17.133 ( 0.000 -40.242 -3.605) 40.403 19.011 ( 0.000 -18.210 1.319) 18.258 19.043 ( 0.000 -17.427 1.905) 17.531 19.057 ( 0.000 -18.912 -0.969) 18.936 19.111 ( 0.000 -17.600 -1.493) 17.663 20.099 ( 0.000 -13.900 2.219) 14.076 20.137 ( 0.000 -14.376 2.457) 14.585 20.197 ( 0.000 -9.295 -2.369) 9.592 20.243 ( 0.000 -9.448 -2.563) 9.790 20.325 ( 0.000 0.848 14.687) 14.711 20.511 ( 0.000 -5.956 12.696) 14.024 20.812 ( 0.000 2.808 -9.238) 9.655 20.874 ( 0.000 1.446 -6.334) 6.497 22.249 ( 0.000 44.474 5.035) 44.759 22.426 ( 0.000 44.138 -3.075) 44.245 22.542 ( 0.000 46.619 1.326) 46.638 22.632 ( 0.000 42.969 -2.870) 43.065 30.131 ( 0.000 -56.949 2.691) 57.012 30.198 ( 0.000 -56.548 1.670) 56.573 30.244 ( 0.000 -56.952 -2.296) 56.999 30.290 ( 0.000 -56.537 -2.264) 56.583 35.297 ( 0.000 35.121 5.576) 35.561 35.493 ( 0.000 41.684 7.707) 42.390 35.595 ( 0.000 42.639 -0.418) 42.641 36.234 ( 0.000 42.614 5.799) 43.007 36.299 ( 0.000 41.731 4.859) 42.013 36.473 ( 0.000 45.818 -5.238) 46.117 36.513 ( 0.000 45.234 -5.000) 45.510 36.547 ( 0.000 58.003 -42.771) 72.067 41.560 ( 0.000 2.574 1.194) 2.837 41.609 ( 0.000 2.977 -1.482) 3.325 42.615 ( 0.000 -10.678 29.265) 31.152 42.799 ( 0.000 -4.359 4.969) 6.610 42.862 ( 0.000 -6.085 3.874) 7.213 43.110 ( 0.000 -5.865 -5.796) 8.246 43.262 ( 0.000 -8.360 -8.148) 11.674 43.979 ( 0.000 -26.335 -39.351) 47.350 ======================= Grid point 176 (62/90) ======================= q-point: ( 0.25 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 0.786 10.829 15.133) 18.625 2.244 ( 5.590 11.789 8.662) 15.661 2.316 ( -7.910 7.457 12.446) 16.525 2.366 ( -2.782 8.915 1.971) 9.545 2.506 ( -3.462 7.189 4.115) 8.978 2.716 ( 5.138 6.772 -6.268) 10.562 2.872 ( -0.946 3.861 1.944) 4.425 3.073 ( 2.477 7.730 -2.787) 8.582 3.146 ( 1.633 5.933 -1.089) 6.249 3.236 ( -0.763 8.294 -7.112) 10.952 3.369 ( 0.967 8.572 -5.476) 10.218 3.545 ( -1.847 0.996 -13.872) 14.030 3.977 ( -0.365 17.408 12.319) 21.329 4.046 ( 4.162 -0.863 6.163) 7.487 4.255 ( -2.694 -6.776 -3.102) 7.925 4.369 ( 2.597 -8.293 3.762) 9.470 4.398 ( -0.481 -5.785 -6.069) 8.398 4.592 ( -1.803 -3.807 4.489) 6.156 4.681 ( 1.711 6.395 -9.676) 11.724 4.737 ( 1.787 0.055 -5.572) 5.851 5.310 ( 2.756 32.507 2.619) 32.729 5.382 ( 0.959 27.091 -1.107) 27.131 5.540 ( -4.636 21.661 1.177) 22.182 5.642 ( -6.637 21.379 -3.287) 22.625 5.759 ( 6.137 15.268 1.092) 16.491 5.806 ( 4.093 12.410 -1.631) 13.169 5.965 ( 0.929 6.840 0.078) 6.904 6.052 ( -0.958 -2.517 -2.448) 3.639 6.831 ( 0.120 18.254 8.651) 20.200 6.912 ( -2.142 3.564 7.180) 8.297 7.139 ( -0.547 6.837 -4.297) 8.094 7.196 ( -0.718 7.433 -7.276) 10.426 7.795 ( 5.488 -6.027 15.562) 17.568 8.109 ( -6.181 -9.487 14.628) 18.498 8.356 ( 2.968 -7.661 -11.345) 14.007 8.507 ( -2.482 -5.445 -6.350) 8.726 9.368 ( 3.193 27.405 1.695) 27.642 9.415 ( 2.394 26.744 -0.638) 26.858 9.592 ( -4.074 25.089 1.463) 25.460 9.648 ( -8.113 23.840 -1.455) 25.225 11.416 ( 3.878 18.157 0.947) 18.590 11.465 ( 6.468 18.974 -1.330) 20.090 11.574 ( -1.568 21.572 2.651) 21.791 11.698 ( -2.539 26.987 -3.336) 27.310 17.028 ( 0.232 -42.769 1.855) 42.810 17.039 ( -0.184 -44.363 1.583) 44.392 17.110 ( 0.358 -42.968 -2.231) 43.027 17.129 ( -0.339 -40.699 -3.403) 40.843 19.017 ( 0.507 -18.106 1.405) 18.167 19.040 ( -0.354 -17.573 1.822) 17.671 19.067 ( 0.811 -18.681 -1.065) 18.729 19.105 ( -0.632 -17.784 -1.426) 17.852 20.103 ( 0.450 -13.765 2.383) 13.977 20.132 ( -0.550 -14.218 2.573) 14.460 20.202 ( 0.493 -8.974 -2.318) 9.281 20.234 ( -0.733 -9.107 -2.304) 9.422 20.348 ( 2.080 -0.379 14.217) 14.373 20.479 ( -2.873 -5.063 13.180) 14.409 20.815 ( 0.409 3.088 -9.004) 9.527 20.860 ( -1.206 1.968 -6.859) 7.237 22.269 ( 2.078 45.303 5.066) 45.633 22.428 ( -0.974 45.701 -0.247) 45.712 22.494 ( -2.923 45.685 -0.651) 45.783 22.583 ( -3.700 43.243 -2.771) 43.490 30.142 ( 1.039 -56.897 2.603) 56.966 30.191 ( -0.740 -56.538 2.038) 56.580 30.250 ( 0.567 -57.026 -2.511) 57.084 30.283 ( -0.635 -56.664 -2.326) 56.715 35.323 ( 2.439 35.861 6.460) 36.519 35.474 ( -2.797 40.300 11.919) 42.119 35.646 ( 6.498 44.942 -8.427) 46.184 36.226 ( -5.500 47.173 -3.511) 47.622 36.282 ( -4.048 43.754 -1.625) 43.971 36.321 ( -9.946 49.077 -14.430) 52.112 36.478 ( 0.461 45.775 -5.399) 46.095 36.508 ( -0.630 45.436 -5.375) 45.757 41.734 ( 14.638 0.826 5.314) 15.594 42.050 ( 35.194 -3.932 -12.311) 37.492 42.451 ( -13.124 -7.501 21.814) 26.540 42.826 ( -0.093 -7.103 6.179) 9.415 42.880 ( 1.981 -5.220 5.692) 7.973 43.073 ( -3.885 -5.726 -6.144) 9.253 43.297 ( 3.834 -9.841 -10.183) 14.672 43.824 ( -14.297 -24.446 -36.571) 46.254 ======================= Grid point 177 (63/90) ======================= q-point: (-0.50 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -9.660 7.157 12.976) 17.689 2.082 ( 9.660 7.157 12.976) 17.689 2.321 ( -4.497 6.970 0.294) 8.300 2.321 ( 4.497 6.970 0.294) 8.300 2.610 ( -11.765 8.652 6.672) 16.055 2.610 ( 11.765 8.652 6.672) 16.055 2.971 ( -8.841 4.630 -7.600) 12.545 2.971 ( 8.841 4.630 -7.600) 12.545 3.236 ( -3.834 7.028 0.813) 8.047 3.236 ( 3.834 7.028 0.813) 8.047 3.455 ( -6.473 6.575 -11.211) 14.519 3.455 ( 6.473 6.575 -11.211) 14.519 4.018 ( -4.577 9.631 8.869) 13.870 4.018 ( 4.577 9.631 8.869) 13.870 4.299 ( -4.800 -7.374 -3.874) 9.614 4.299 ( 4.800 -7.374 -3.874) 9.614 4.504 ( -6.079 -1.951 4.971) 8.092 4.504 ( 6.079 -1.951 4.971) 8.092 4.732 ( -2.207 1.912 -5.588) 6.305 4.732 ( 2.207 1.912 -5.588) 6.305 5.397 ( -4.795 30.074 1.805) 30.507 5.397 ( 4.795 30.074 1.805) 30.507 5.490 ( -5.947 28.161 -2.365) 28.879 5.490 ( 5.947 28.161 -2.365) 28.879 5.873 ( -1.548 6.650 1.123) 6.920 5.873 ( 1.548 6.650 1.123) 6.920 5.988 ( -3.571 0.211 -4.610) 5.835 5.988 ( 3.571 0.211 -4.610) 5.835 6.858 ( -2.446 11.467 8.106) 14.255 6.858 ( 2.446 11.467 8.106) 14.255 7.160 ( -2.154 6.644 -5.977) 9.193 7.160 ( 2.154 6.644 -5.977) 9.193 7.947 ( -8.398 -7.637 15.412) 19.141 7.947 ( 8.398 -7.637 15.412) 19.141 8.434 ( -4.101 -6.950 -9.018) 12.102 8.434 ( 4.101 -6.950 -9.018) 12.102 9.468 ( -3.871 26.857 1.394) 27.171 9.468 ( 3.871 26.857 1.394) 27.171 9.502 ( -1.463 25.146 -0.348) 25.191 9.502 ( 1.463 25.146 -0.348) 25.191 11.503 ( -3.652 20.668 2.341) 21.119 11.503 ( 3.652 20.668 2.341) 21.119 11.614 ( -5.387 22.603 -3.366) 23.479 11.614 ( 5.387 22.603 -3.366) 23.479 17.034 ( -0.306 -43.553 1.774) 43.591 17.034 ( 0.306 -43.553 1.774) 43.591 17.120 ( -0.519 -41.827 -2.858) 41.928 17.120 ( 0.519 -41.827 -2.858) 41.928 19.029 ( -0.603 -17.844 1.613) 17.927 19.029 ( 0.603 -17.844 1.613) 17.927 19.087 ( -1.009 -18.225 -1.257) 18.296 19.087 ( 1.009 -18.225 -1.257) 18.296 20.117 ( -0.770 -13.816 2.598) 14.079 20.117 ( 0.770 -13.816 2.598) 14.079 20.217 ( -0.843 -8.826 -2.227) 9.142 20.217 ( 0.843 -8.826 -2.227) 9.142 20.408 ( -3.490 -2.722 13.774) 14.467 20.408 ( 3.490 -2.722 13.774) 14.467 20.833 ( -1.224 2.878 -8.050) 8.636 20.833 ( 1.224 2.878 -8.050) 8.636 22.342 ( -4.839 47.130 4.694) 47.609 22.342 ( 4.839 47.130 4.694) 47.609 22.509 ( -2.913 43.561 -3.588) 43.805 22.509 ( 2.913 43.561 -3.588) 43.805 30.169 ( -1.316 -56.712 2.388) 56.777 30.169 ( 1.316 -56.712 2.388) 56.777 30.266 ( -0.899 -56.916 -2.482) 56.977 30.266 ( 0.899 -56.916 -2.482) 56.977 35.393 ( -4.117 37.840 9.138) 39.145 35.393 ( 4.117 37.840 9.138) 39.145 35.881 ( -15.853 50.359 -15.797) 55.108 35.881 ( 15.853 50.359 -15.797) 55.108 36.278 ( -1.156 41.969 5.164) 42.301 36.278 ( 1.156 41.969 5.164) 42.301 36.492 ( -0.812 45.571 -5.372) 45.893 36.492 ( 0.812 45.571 -5.372) 45.893 42.100 ( -18.483 -3.440 14.498) 23.742 42.100 ( 18.483 -3.440 14.498) 23.742 42.698 ( -17.848 -9.281 -10.482) 22.684 42.698 ( 17.848 -9.281 -10.482) 22.684 42.948 ( -5.707 -5.086 1.186) 7.736 42.948 ( 5.707 -5.086 1.186) 7.736 43.476 ( -14.760 -16.721 -22.331) 31.561 43.476 ( 14.760 -16.721 -22.331) 31.561 ======================= Grid point 180 (64/90) ======================= q-point: ( 0.00 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.000 5.550 14.192) 15.239 2.523 ( 0.000 3.868 -5.721) 6.905 2.530 ( 0.000 3.544 11.464) 12.000 2.630 ( 0.000 4.944 8.728) 10.031 2.692 ( 0.000 23.204 7.730) 24.458 2.908 ( 0.000 3.810 -5.396) 6.605 2.945 ( 0.000 16.516 -6.694) 17.821 3.126 ( 0.000 -4.304 -12.084) 12.827 3.318 ( 0.000 10.367 -2.548) 10.676 3.330 ( 0.000 2.023 1.754) 2.677 3.454 ( 0.000 5.007 -10.592) 11.716 3.537 ( 0.000 3.237 -8.901) 9.472 3.916 ( 0.000 -2.142 5.960) 6.334 3.987 ( 0.000 -15.366 3.224) 15.701 4.112 ( 0.000 -13.246 -3.450) 13.687 4.181 ( 0.000 -6.571 -6.722) 9.400 4.455 ( 0.000 14.949 9.891) 17.925 4.547 ( 0.000 -2.588 5.046) 5.671 4.658 ( 0.000 -2.037 -1.554) 2.562 4.840 ( 0.000 6.044 -7.934) 9.974 5.515 ( 0.000 -2.200 3.652) 4.263 5.664 ( 0.000 -1.624 -2.893) 3.318 5.731 ( 0.000 9.047 2.522) 9.392 5.749 ( 0.000 11.565 2.014) 11.739 6.058 ( 0.000 3.806 2.794) 4.722 6.088 ( 0.000 7.117 1.753) 7.330 6.368 ( 0.000 15.912 -2.547) 16.115 6.385 ( 0.000 18.270 -3.367) 18.577 6.950 ( 0.000 1.598 7.403) 7.574 7.201 ( 0.000 3.466 -3.436) 4.881 7.245 ( 0.000 13.695 6.410) 15.121 7.489 ( 0.000 9.365 -5.320) 10.770 7.622 ( 0.000 -5.033 12.679) 13.642 7.957 ( 0.000 -10.300 14.337) 17.654 8.154 ( 0.000 -7.996 -11.996) 14.417 8.395 ( 0.000 -8.007 -8.220) 11.476 10.310 ( 0.000 63.321 1.341) 63.335 10.343 ( 0.000 62.214 -0.128) 62.214 10.476 ( 0.000 55.119 1.161) 55.132 10.536 ( 0.000 53.344 -2.006) 53.381 11.749 ( 0.000 19.541 0.456) 19.547 11.774 ( 0.000 21.546 -0.962) 21.568 12.140 ( 0.000 27.664 5.297) 28.167 12.341 ( 0.000 29.269 -4.901) 29.676 16.123 ( 0.000 -41.603 1.836) 41.644 16.180 ( 0.000 -38.816 0.891) 38.826 16.220 ( 0.000 -39.214 -0.669) 39.220 16.313 ( 0.000 -37.290 -3.803) 37.483 18.375 ( 0.000 -41.689 1.119) 41.704 18.397 ( 0.000 -42.530 0.566) 42.534 18.444 ( 0.000 -40.781 -0.026) 40.781 18.482 ( 0.000 -42.129 -1.354) 42.150 19.926 ( 0.000 -2.769 4.934) 5.658 19.943 ( 0.000 -3.624 5.662) 6.723 20.125 ( 0.000 1.558 -4.923) 5.164 20.160 ( 0.000 1.179 -5.121) 5.255 20.289 ( 0.000 -3.381 14.177) 14.575 20.357 ( 0.000 -7.228 14.036) 15.788 20.783 ( 0.000 -4.237 -10.524) 11.345 20.809 ( 0.000 -5.669 -9.107) 10.727 23.287 ( 0.000 52.931 4.229) 53.100 23.445 ( 0.000 51.351 -3.482) 51.469 23.584 ( 0.000 51.384 0.938) 51.392 23.624 ( 0.000 49.852 -1.047) 49.863 28.942 ( 0.000 -56.057 2.368) 56.107 29.012 ( 0.000 -56.151 0.718) 56.156 29.046 ( 0.000 -56.970 -1.246) 56.984 29.095 ( 0.000 -56.920 -1.988) 56.955 36.071 ( 0.000 37.223 8.840) 38.258 36.355 ( 0.000 38.666 16.053) 41.866 36.483 ( 0.000 40.555 -6.827) 41.126 37.015 ( 0.000 30.652 7.529) 31.563 37.073 ( 0.000 30.853 6.597) 31.550 37.319 ( 0.000 33.512 -6.744) 34.184 37.368 ( 0.000 35.487 -7.557) 36.283 37.519 ( 0.000 35.135 -40.323) 53.483 41.653 ( 0.000 6.682 1.828) 6.928 41.705 ( 0.000 6.354 -1.165) 6.460 42.403 ( 0.000 -8.577 22.147) 23.749 42.670 ( 0.000 -7.597 5.003) 9.097 42.746 ( 0.000 -5.232 -0.496) 5.256 42.952 ( 0.000 -9.129 -2.900) 9.578 43.065 ( 0.000 -10.210 -6.042) 11.864 43.428 ( 0.000 -24.852 -28.856) 38.083 ======================= Grid point 181 (65/90) ======================= q-point: ( 0.25 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 2.482 6.343 12.715) 14.424 2.390 ( -8.793 3.886 9.969) 13.849 2.485 ( -2.284 6.851 -3.577) 8.059 2.591 ( -6.057 7.566 3.597) 10.338 2.743 ( 4.456 16.001 5.133) 17.385 2.858 ( -1.888 8.058 -1.933) 8.498 3.029 ( 3.600 10.469 -5.561) 12.389 3.129 ( -0.381 0.584 -9.970) 9.995 3.274 ( -0.592 6.126 -0.386) 6.167 3.362 ( 3.121 4.778 -3.033) 6.463 3.504 ( 2.204 5.186 -7.393) 9.296 3.578 ( 2.099 2.753 -8.271) 8.966 3.971 ( 3.394 -4.361 3.313) 6.443 4.004 ( 1.647 -10.689 2.807) 11.174 4.086 ( -1.484 -9.306 -2.833) 9.840 4.154 ( -2.095 -10.011 -3.212) 10.721 4.479 ( 2.016 8.554 9.570) 12.993 4.543 ( -0.398 -0.156 6.581) 6.595 4.706 ( 3.681 -0.525 -3.194) 4.901 4.822 ( -1.664 3.908 -6.309) 7.606 5.570 ( 4.906 0.153 2.676) 5.590 5.672 ( 2.632 1.709 -1.353) 3.417 5.773 ( 0.683 8.553 1.760) 8.759 5.789 ( 3.083 7.603 1.303) 8.308 6.028 ( -2.124 4.186 2.096) 5.140 6.079 ( 0.631 6.936 0.307) 6.972 6.252 ( -9.242 12.923 -0.691) 15.902 6.311 ( -6.216 15.660 -3.637) 17.237 7.017 ( 5.103 5.203 6.503) 9.768 7.204 ( -2.683 12.272 5.709) 13.798 7.253 ( 3.418 5.782 -2.792) 7.274 7.440 ( -3.964 8.507 -4.288) 10.318 7.678 ( 4.678 -4.940 12.087) 13.870 7.911 ( -4.270 -9.217 13.801) 17.136 8.184 ( 2.809 -8.376 -11.275) 14.324 8.353 ( -3.676 -8.675 -8.521) 12.703 10.325 ( 1.601 62.342 1.173) 62.374 10.351 ( 0.940 61.328 0.034) 61.335 10.443 ( -2.732 56.119 0.843) 56.191 10.477 ( -4.666 55.721 -0.879) 55.923 11.839 ( 5.875 22.079 0.403) 22.851 11.875 ( 10.282 20.987 -1.334) 23.409 12.097 ( -4.062 26.688 4.656) 27.394 12.281 ( -5.735 27.682 -4.676) 28.654 16.134 ( 0.997 -40.816 1.967) 40.875 16.179 ( -0.450 -37.977 1.975) 38.031 16.228 ( 1.019 -40.081 -2.048) 40.146 16.298 ( -1.360 -37.852 -3.594) 38.047 18.384 ( 0.744 -41.658 1.196) 41.682 18.403 ( 0.343 -42.366 0.972) 42.378 18.443 ( 0.050 -41.014 -0.564) 41.018 18.473 ( -0.766 -42.078 -1.333) 42.106 19.929 ( 0.249 -2.896 5.052) 5.828 19.941 ( -0.195 -3.508 5.565) 6.581 20.130 ( 0.476 1.510 -4.928) 5.176 20.155 ( -0.479 1.250 -5.042) 5.216 20.296 ( 0.723 -3.806 14.137) 14.658 20.345 ( -1.102 -6.528 14.052) 15.534 20.786 ( 0.222 -4.360 -10.362) 11.244 20.804 ( -0.451 -5.380 -9.356) 10.802 23.318 ( 2.997 53.113 3.977) 53.346 23.461 ( 1.420 51.544 -2.800) 51.639 23.535 ( -4.526 51.790 0.989) 51.996 23.584 ( -3.059 50.368 -1.148) 50.474 28.955 ( 1.091 -56.063 2.274) 56.120 29.006 ( -0.697 -56.028 1.528) 56.053 29.049 ( 0.471 -57.114 -1.927) 57.149 29.087 ( -0.795 -56.973 -2.025) 57.014 36.107 ( 3.361 37.398 10.016) 38.862 36.313 ( -4.255 38.093 17.341) 42.070 36.568 ( 8.951 41.264 -12.353) 43.994 37.026 ( 1.029 30.615 7.399) 31.513 37.064 ( -1.023 31.008 6.310) 31.660 37.279 ( -17.650 37.828 -28.761) 50.692 37.327 ( -0.198 34.068 -8.558) 35.127 37.363 ( -1.251 35.197 -8.441) 36.217 41.783 ( 10.595 4.252 4.588) 12.304 41.998 ( 24.532 -0.485 -6.993) 25.513 42.299 ( -9.041 -6.129 17.938) 21.002 42.664 ( -1.521 -8.144 3.170) 8.870 42.766 ( 1.669 -5.665 1.505) 6.094 42.919 ( -3.523 -8.854 -3.396) 10.116 43.073 ( 1.089 -11.244 -7.267) 13.432 43.321 ( -9.268 -22.283 -25.412) 35.046 ======================= Grid point 182 (66/90) ======================= q-point: (-0.50 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -6.773 6.084 10.238) 13.701 2.220 ( 6.773 6.084 10.238) 13.701 2.484 ( -2.770 7.282 -1.106) 7.869 2.484 ( 2.770 7.282 -1.106) 7.869 2.819 ( -2.662 11.416 3.188) 12.148 2.819 ( 2.662 11.416 3.188) 12.148 3.080 ( -2.734 6.421 -9.105) 11.471 3.080 ( 2.734 6.421 -9.105) 11.471 3.355 ( -4.608 3.977 1.360) 6.237 3.355 ( 4.608 3.977 1.360) 6.237 3.562 ( -3.291 4.907 -9.906) 11.534 3.562 ( 3.291 4.907 -9.906) 11.534 4.015 ( -0.806 -6.623 2.186) 7.021 4.015 ( 0.806 -6.623 2.186) 7.021 4.103 ( -2.591 -9.758 -1.438) 10.199 4.103 ( 2.591 -9.758 -1.438) 10.199 4.523 ( -1.769 2.522 8.788) 9.312 4.523 ( 1.769 2.522 8.788) 9.312 4.775 ( -2.729 1.488 -4.399) 5.386 4.775 ( 2.729 1.488 -4.399) 5.386 5.697 ( -6.249 5.141 2.591) 8.497 5.697 ( 6.249 5.141 2.591) 8.497 5.777 ( -4.753 2.918 -1.199) 5.704 5.777 ( 4.753 2.918 -1.199) 5.704 6.065 ( -6.669 8.837 1.921) 11.237 6.065 ( 6.669 8.837 1.921) 11.237 6.165 ( -6.678 10.247 -3.045) 12.604 6.165 ( 6.678 10.247 -3.045) 12.604 7.123 ( -4.690 10.149 6.175) 12.772 7.123 ( 4.690 10.149 6.175) 12.772 7.345 ( -4.847 7.480 -3.718) 9.658 7.345 ( 4.847 7.480 -3.718) 9.658 7.796 ( -6.147 -6.868 12.793) 15.767 7.796 ( 6.147 -6.868 12.793) 15.767 8.263 ( -4.438 -9.028 -9.720) 13.988 8.263 ( 4.438 -9.028 -9.720) 13.988 10.379 ( -3.368 59.090 0.637) 59.189 10.379 ( 3.368 59.090 0.637) 59.189 10.388 ( -2.858 59.383 0.256) 59.452 10.388 ( 2.858 59.383 0.256) 59.452 11.979 ( -6.794 24.375 2.828) 25.462 11.979 ( 6.794 24.375 2.828) 25.462 12.107 ( -10.566 24.056 -3.626) 26.523 12.107 ( 10.566 24.056 -3.626) 26.523 16.159 ( -1.276 -39.050 2.231) 39.135 16.159 ( 1.276 -39.050 2.231) 39.135 16.261 ( -1.944 -39.214 -3.059) 39.381 16.261 ( 1.944 -39.214 -3.059) 39.381 18.400 ( -0.656 -41.764 1.388) 41.792 18.400 ( 0.656 -41.764 1.388) 41.792 18.454 ( -0.944 -41.788 -1.270) 41.818 18.454 ( 0.944 -41.788 -1.270) 41.818 19.935 ( -0.313 -3.207 5.319) 6.219 19.935 ( 0.313 -3.207 5.319) 6.219 20.143 ( -0.657 1.391 -4.950) 5.183 20.143 ( 0.657 1.391 -4.950) 5.183 20.318 ( -1.295 -5.027 14.084) 15.011 20.318 ( 1.295 -5.027 14.084) 15.011 20.793 ( -0.483 -4.786 -9.903) 11.009 20.793 ( 0.483 -4.786 -9.903) 11.009 23.410 ( -5.502 53.165 3.033) 53.534 23.410 ( 5.502 53.165 3.033) 53.534 23.518 ( -2.870 50.872 -2.342) 51.007 23.518 ( 2.870 50.872 -2.342) 51.007 28.983 ( -1.430 -56.047 2.044) 56.103 28.983 ( 1.430 -56.047 2.044) 56.103 29.066 ( -1.050 -57.081 -2.120) 57.130 29.066 ( 1.050 -57.081 -2.120) 57.130 36.203 ( -5.525 37.760 13.400) 40.446 36.203 ( 5.525 37.760 13.400) 40.446 36.854 ( -17.743 40.631 -18.863) 48.182 36.854 ( 17.743 40.631 -18.863) 48.182 37.054 ( -1.617 31.234 6.459) 31.936 37.054 ( 1.617 31.234 6.459) 31.936 37.343 ( -0.977 34.489 -7.413) 35.290 37.343 ( 0.977 34.489 -7.413) 35.290 42.047 ( -13.333 -0.989 11.715) 17.776 42.047 ( 13.333 -0.989 11.715) 17.776 42.502 ( -17.475 -8.773 -8.812) 21.448 42.502 ( 17.475 -8.773 -8.812) 21.448 42.818 ( -4.061 -7.029 0.513) 8.134 42.818 ( 4.061 -7.029 0.513) 8.134 43.137 ( -5.974 -15.143 -13.450) 21.116 43.137 ( 5.974 -15.143 -13.450) 21.116 ======================= Grid point 185 (67/90) ======================= q-point: ( 0.00 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 0.000 8.202 7.935) 11.412 2.572 ( 0.000 1.721 3.376) 3.789 2.599 ( 0.000 3.201 -8.355) 8.947 2.764 ( 0.000 7.950 6.009) 9.965 2.910 ( 0.000 -8.110 -8.136) 11.488 2.998 ( 0.000 4.955 -5.695) 7.549 3.154 ( 0.000 13.003 -2.973) 13.339 3.206 ( 0.000 5.768 -2.969) 6.487 3.491 ( 0.000 11.557 5.282) 12.707 3.500 ( 0.000 7.006 -3.314) 7.750 3.533 ( 0.000 3.425 -6.329) 7.197 3.579 ( 0.000 -6.245 1.490) 6.421 3.767 ( 0.000 0.727 -1.481) 1.650 3.855 ( 0.000 -3.540 4.409) 5.655 3.881 ( 0.000 -8.633 -5.997) 10.511 4.060 ( 0.000 -4.631 -5.710) 7.352 4.518 ( 0.000 0.689 5.741) 5.782 4.639 ( 0.000 1.075 -1.272) 1.665 4.673 ( 0.000 5.688 9.455) 11.034 4.908 ( 0.000 0.351 -1.762) 1.797 5.511 ( 0.000 2.266 2.762) 3.572 5.635 ( 0.000 -0.500 -1.830) 1.897 5.822 ( 0.000 0.465 3.199) 3.232 5.855 ( 0.000 -0.360 1.355) 1.402 6.154 ( 0.000 5.317 4.974) 7.281 6.268 ( 0.000 9.195 -0.951) 9.244 6.469 ( 0.000 -2.343 -0.327) 2.366 6.582 ( 0.000 2.509 -4.939) 5.540 7.001 ( 0.000 3.361 8.316) 8.970 7.294 ( 0.000 5.083 -4.793) 6.987 7.352 ( 0.000 -2.063 5.733) 6.093 7.539 ( 0.000 -2.589 10.742) 11.049 7.541 ( 0.000 -2.388 -3.949) 4.615 7.763 ( 0.000 -8.138 12.798) 15.166 8.006 ( 0.000 -5.609 -11.020) 12.365 8.212 ( 0.000 -9.270 -9.835) 13.515 11.753 ( 0.000 65.034 0.816) 65.039 11.776 ( 0.000 66.708 -0.236) 66.709 11.799 ( 0.000 69.433 1.419) 69.448 11.855 ( 0.000 68.036 -1.361) 68.049 12.198 ( 0.000 22.992 1.326) 23.030 12.262 ( 0.000 24.511 -2.016) 24.594 12.706 ( 0.000 25.698 5.350) 26.249 12.909 ( 0.000 24.286 -4.945) 24.784 15.366 ( 0.000 -27.882 1.689) 27.933 15.437 ( 0.000 -28.466 -1.783) 28.522 15.545 ( 0.000 -24.567 1.737) 24.628 15.632 ( 0.000 -25.658 -2.747) 25.805 17.341 ( 0.000 -55.572 0.941) 55.580 17.346 ( 0.000 -56.226 0.892) 56.233 17.404 ( 0.000 -56.804 -0.626) 56.807 17.420 ( 0.000 -57.511 -1.189) 57.523 19.934 ( 0.000 2.558 7.202) 7.642 19.944 ( 0.000 2.546 7.920) 8.319 20.204 ( 0.000 -4.483 12.695) 13.464 20.214 ( 0.000 6.161 -6.818) 9.189 20.224 ( 0.000 -5.648 12.873) 14.058 20.245 ( 0.000 5.967 -7.029) 9.220 20.666 ( 0.000 -6.579 -10.333) 12.250 20.676 ( 0.000 -6.704 -9.900) 11.957 24.417 ( 0.000 54.540 3.107) 54.629 24.534 ( 0.000 52.461 -2.733) 52.532 24.659 ( 0.000 51.197 0.559) 51.200 24.676 ( 0.000 50.365 -0.223) 50.365 27.796 ( 0.000 -53.744 1.837) 53.776 27.861 ( 0.000 -54.298 -1.109) 54.310 27.878 ( 0.000 -54.213 0.748) 54.218 27.926 ( 0.000 -54.777 -1.407) 54.795 36.795 ( 0.000 30.924 10.322) 32.601 37.057 ( 0.000 27.941 18.376) 33.442 37.238 ( 0.000 30.907 -10.192) 32.544 37.480 ( 0.000 13.481 9.177) 16.308 37.554 ( 0.000 14.783 8.665) 17.135 37.836 ( 0.000 15.591 -7.961) 17.506 37.965 ( 0.000 21.283 -11.028) 23.971 38.058 ( 0.000 17.482 -30.947) 35.543 41.844 ( 0.000 11.402 1.890) 11.558 41.876 ( 0.000 9.860 -0.310) 9.865 42.289 ( 0.000 -1.794 14.788) 14.896 42.498 ( 0.000 -8.703 3.917) 9.544 42.623 ( 0.000 -7.186 -3.098) 7.826 42.738 ( 0.000 -10.989 0.324) 10.994 42.853 ( 0.000 -9.319 -4.498) 10.348 42.990 ( 0.000 -16.264 -19.601) 25.470 ======================= Grid point 186 (68/90) ======================= q-point: ( 0.25 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 2.234 7.526 6.685) 10.311 2.474 ( -6.695 3.948 3.219) 8.413 2.578 ( -1.435 2.706 -6.979) 7.621 2.673 ( -6.488 0.733 -2.048) 6.843 2.983 ( 5.191 7.352 -0.863) 9.041 3.075 ( 4.532 3.248 -1.627) 5.809 3.152 ( 0.180 10.321 -5.150) 11.536 3.228 ( 0.672 4.665 -3.742) 6.018 3.420 ( -2.577 8.085 0.482) 8.499 3.475 ( -1.711 5.605 0.290) 5.867 3.594 ( 1.969 -3.568 -2.656) 4.865 3.622 ( 4.327 5.530 -2.169) 7.350 3.820 ( 3.833 -1.397 -1.675) 4.411 3.875 ( 0.327 -9.152 -4.310) 10.122 3.897 ( 2.245 -4.524 1.900) 5.396 4.015 ( -4.166 -3.390 -3.945) 6.664 4.512 ( 0.546 0.505 6.665) 6.706 4.611 ( -0.973 2.066 6.243) 6.647 4.725 ( 2.067 1.421 0.441) 2.547 4.864 ( -3.446 0.471 -1.468) 3.775 5.601 ( 7.795 3.007 2.673) 8.773 5.680 ( 5.138 1.114 -0.534) 5.284 5.859 ( 1.838 1.321 3.170) 3.896 5.897 ( 2.293 1.757 1.860) 3.436 6.111 ( -2.819 3.357 4.109) 6.009 6.230 ( -1.879 7.268 -1.550) 7.666 6.353 ( -9.297 -0.481 1.189) 9.385 6.485 ( -8.280 2.773 -5.008) 10.066 7.090 ( 6.817 2.076 6.619) 9.725 7.322 ( -2.561 -0.846 4.996) 5.678 7.337 ( 3.395 3.717 -3.506) 6.135 7.499 ( -2.512 -0.678 -0.431) 2.637 7.586 ( 2.745 -4.171 7.241) 8.796 7.733 ( -2.821 -7.688 11.798) 14.361 8.023 ( 1.633 -6.508 -10.554) 12.506 8.162 ( -4.094 -9.154 -9.488) 13.805 11.751 ( -0.022 64.699 0.684) 64.702 11.767 ( -0.243 66.813 -0.008) 66.813 11.783 ( -1.153 68.553 1.141) 68.572 11.829 ( -2.045 67.827 -1.022) 67.866 12.321 ( 9.554 23.799 0.562) 25.651 12.356 ( 8.811 25.200 -1.171) 26.722 12.653 ( -5.009 25.903 4.436) 26.753 12.826 ( -7.762 23.874 -4.329) 25.474 15.395 ( 2.536 -27.181 1.717) 27.353 15.465 ( 2.262 -27.804 -1.420) 27.932 15.524 ( -1.722 -25.194 1.231) 25.283 15.606 ( -2.385 -26.113 -2.654) 26.356 17.347 ( 0.471 -55.834 1.043) 55.846 17.351 ( 0.365 -56.425 1.052) 56.436 17.403 ( -0.046 -56.633 -0.875) 56.639 17.415 ( -0.437 -57.246 -1.228) 57.261 19.936 ( 0.144 2.548 7.309) 7.742 19.943 ( -0.118 2.541 7.816) 8.219 20.206 ( 0.191 -4.533 12.639) 13.428 20.218 ( 0.106 2.187 0.083) 2.191 20.221 ( -0.004 -1.464 5.893) 6.073 20.241 ( -0.387 5.903 -6.891) 9.081 20.667 ( 0.098 -6.566 -10.284) 12.202 20.674 ( -0.162 -6.656 -9.977) 11.994 24.446 ( 2.776 54.257 2.804) 54.400 24.550 ( 1.511 52.298 -2.371) 52.374 24.621 ( -3.692 51.781 0.793) 51.918 24.646 ( -2.234 50.900 -0.413) 50.951 27.808 ( 1.070 -53.741 1.731) 53.779 27.862 ( -0.681 -53.408 0.845) 53.419 27.875 ( 0.429 -55.137 -1.090) 55.149 27.917 ( -0.858 -54.807 -1.417) 54.832 36.828 ( 3.120 30.566 11.376) 32.763 37.015 ( -3.891 28.337 17.620) 33.594 37.317 ( 7.506 29.441 -12.148) 32.721 37.490 ( 0.813 13.518 8.699) 16.096 37.551 ( -0.137 15.388 8.208) 17.441 37.852 ( 0.797 16.694 -9.046) 19.004 37.899 ( -11.988 21.008 -24.578) 34.483 37.948 ( -2.280 20.439 -11.416) 23.522 41.922 ( 6.241 9.063 3.593) 11.575 42.042 ( 14.523 4.530 -3.115) 15.529 42.227 ( -5.522 -0.192 12.604) 13.762 42.493 ( -1.459 -8.028 1.600) 8.315 42.637 ( 1.057 -7.212 -1.516) 7.445 42.714 ( -2.325 -10.341 -0.211) 10.601 42.842 ( -0.658 -10.120 -5.428) 11.503 42.932 ( -4.693 -14.473 -16.353) 22.336 ======================= Grid point 187 (69/90) ======================= q-point: (-0.50 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -5.183 5.971 4.317) 9.008 2.346 ( 5.183 5.971 4.317) 9.008 2.577 ( -2.064 1.530 -4.741) 5.392 2.577 ( 2.064 1.530 -4.741) 5.392 3.074 ( -3.284 12.009 0.892) 12.482 3.074 ( 3.284 12.009 0.892) 12.482 3.205 ( -2.833 3.472 -7.058) 8.360 3.205 ( 2.833 3.472 -7.058) 8.360 3.425 ( -2.709 4.288 3.798) 6.336 3.425 ( 2.709 4.288 3.798) 6.336 3.651 ( -1.996 1.742 -6.002) 6.560 3.651 ( 1.996 1.742 -6.002) 6.560 3.898 ( -3.344 -1.800 -1.077) 3.947 3.898 ( 3.344 -1.800 -1.077) 3.947 3.914 ( -3.120 -7.840 -1.762) 8.620 3.914 ( 3.120 -7.840 -1.762) 8.620 4.562 ( -3.613 1.166 8.739) 9.528 4.562 ( 3.613 1.166 8.739) 9.528 4.782 ( -3.970 -0.610 -2.798) 4.895 4.782 ( 3.970 -0.610 -2.798) 4.895 5.785 ( -7.455 3.976 3.439) 9.122 5.785 ( 7.455 3.976 3.439) 9.122 5.840 ( -6.968 3.982 1.498) 8.164 5.840 ( 6.968 3.982 1.498) 8.164 6.155 ( -7.738 0.595 2.717) 8.222 6.155 ( 7.738 0.595 2.717) 8.222 6.297 ( -7.982 2.932 -4.057) 9.421 6.297 ( 7.982 2.932 -4.057) 9.421 7.231 ( -5.947 1.144 5.617) 8.260 7.231 ( 5.947 1.144 5.617) 8.260 7.426 ( -4.327 1.447 -2.956) 5.437 7.426 ( 4.327 1.447 -2.956) 5.437 7.657 ( -3.933 -6.302 9.993) 12.452 7.657 ( 3.933 -6.302 9.993) 12.452 8.077 ( -3.532 -8.236 -9.663) 13.179 8.077 ( 3.532 -8.236 -9.663) 13.179 11.758 ( -0.763 66.156 0.955) 66.167 11.758 ( 0.763 66.156 0.955) 66.167 11.787 ( -1.651 67.641 -0.464) 67.662 11.787 ( 1.651 67.641 -0.464) 67.662 12.507 ( -8.035 26.055 2.283) 27.361 12.507 ( 8.035 26.055 2.283) 27.361 12.606 ( -12.375 23.469 -2.644) 26.663 12.606 ( 12.375 23.469 -2.644) 26.663 15.457 ( -2.994 -25.813 1.868) 26.053 15.457 ( 2.994 -25.813 1.868) 26.053 15.542 ( -3.317 -27.194 -2.442) 27.504 15.542 ( 3.317 -27.194 -2.442) 27.504 17.355 ( -0.159 -56.403 1.243) 56.417 17.355 ( 0.159 -56.403 1.243) 56.417 17.406 ( -0.360 -56.678 -1.260) 56.693 17.406 ( 0.360 -56.678 -1.260) 56.693 19.939 ( -0.185 2.537 7.564) 7.981 19.939 ( 0.185 2.537 7.564) 7.981 20.212 ( -0.354 -4.679 12.407) 13.265 20.212 ( 0.354 -4.679 12.407) 13.265 20.230 ( -0.567 5.774 -6.544) 8.746 20.230 ( 0.567 5.774 -6.544) 8.746 20.670 ( -0.185 -6.580 -10.144) 12.093 20.670 ( 0.185 -6.580 -10.144) 12.093 24.527 ( -4.662 53.287 1.914) 53.524 24.527 ( 4.662 53.287 1.914) 53.524 24.594 ( -2.496 51.666 -1.456) 51.747 24.594 ( 2.496 51.666 -1.456) 51.747 27.836 ( -1.493 -53.678 1.484) 53.719 27.836 ( 1.493 -53.678 1.484) 53.719 27.894 ( -1.165 -54.899 -1.448) 54.930 27.894 ( 1.165 -54.899 -1.448) 54.930 36.916 ( -4.980 29.549 14.282) 33.195 36.916 ( 4.980 29.549 14.282) 33.195 37.484 ( -3.648 16.859 1.248) 17.294 37.484 ( 3.648 16.859 1.248) 17.294 37.611 ( -10.313 24.184 -10.529) 28.321 37.611 ( 10.313 24.184 -10.529) 28.321 37.900 ( -2.435 18.446 -9.650) 20.959 37.900 ( 2.435 18.446 -9.650) 20.959 42.079 ( -8.004 4.240 8.301) 12.286 42.079 ( 8.004 4.240 8.301) 12.286 42.358 ( -12.590 -4.579 -5.178) 14.363 42.358 ( 12.590 -4.579 -5.178) 14.363 42.663 ( -1.728 -7.932 0.260) 8.123 42.663 ( 1.728 -7.932 0.260) 8.123 42.852 ( -2.108 -11.845 -8.755) 14.880 42.852 ( 2.108 -11.845 -8.755) 14.880 ======================= Grid point 190 (70/90) ======================= q-point: ( 0.00 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 0.000 9.673 1.497) 9.789 2.590 ( 0.000 -1.759 -3.167) 3.623 2.647 ( 0.000 1.383 -9.239) 9.342 2.711 ( 0.000 -7.937 -6.626) 10.339 2.964 ( 0.000 10.983 3.807) 11.624 3.111 ( 0.000 5.644 -4.223) 7.050 3.189 ( 0.000 -7.249 -0.226) 7.253 3.228 ( 0.000 -6.257 -1.622) 6.464 3.526 ( 0.000 5.601 3.746) 6.738 3.595 ( 0.000 1.472 -2.285) 2.718 3.615 ( 0.000 4.289 -2.422) 4.925 3.693 ( 0.000 5.514 2.172) 5.927 3.735 ( 0.000 -5.393 -3.428) 6.390 3.779 ( 0.000 -3.315 3.744) 5.001 3.874 ( 0.000 5.655 -5.076) 7.599 3.975 ( 0.000 -4.050 -5.758) 7.040 4.586 ( 0.000 5.333 7.089) 8.872 4.694 ( 0.000 -3.303 8.675) 9.282 4.727 ( 0.000 6.681 -0.105) 6.682 4.858 ( 0.000 -4.824 0.670) 4.871 5.612 ( 0.000 6.977 1.622) 7.163 5.667 ( 0.000 3.787 -0.413) 3.809 5.761 ( 0.000 -5.946 1.833) 6.223 5.777 ( 0.000 -5.792 0.664) 5.830 6.265 ( 0.000 5.171 5.395) 7.472 6.374 ( 0.000 -5.322 3.346) 6.286 6.448 ( 0.000 7.498 -3.765) 8.390 6.564 ( 0.000 -3.433 -5.325) 6.336 7.096 ( 0.000 5.768 8.514) 10.283 7.238 ( 0.000 -7.264 7.097) 10.155 7.395 ( 0.000 4.091 -6.342) 7.547 7.469 ( 0.000 -3.540 -5.055) 6.171 7.530 ( 0.000 2.053 10.518) 10.717 7.617 ( 0.000 -5.794 10.876) 12.323 7.945 ( 0.000 0.380 -9.883) 9.891 8.030 ( 0.000 -7.256 -9.726) 12.135 12.659 ( 0.000 18.450 1.896) 18.547 12.726 ( 0.000 20.719 1.688) 20.787 12.745 ( 0.000 18.939 -2.546) 19.110 12.796 ( 0.000 22.947 -1.888) 23.024 13.017 ( 0.000 35.265 1.699) 35.306 13.072 ( 0.000 38.370 -1.099) 38.386 13.154 ( 0.000 14.095 3.968) 14.643 13.300 ( 0.000 10.122 -3.467) 10.699 15.197 ( 0.000 19.219 1.062) 19.248 15.246 ( 0.000 18.251 -1.371) 18.303 15.357 ( 0.000 13.825 1.375) 13.893 15.417 ( 0.000 11.826 -1.767) 11.958 16.112 ( 0.000 -58.342 1.024) 58.351 16.155 ( 0.000 -58.059 -0.106) 58.059 16.160 ( 0.000 -55.072 -0.171) 55.072 16.197 ( 0.000 -55.226 -0.958) 55.235 20.010 ( 0.000 4.344 9.196) 10.170 20.019 ( 0.000 4.289 9.685) 10.593 20.106 ( 0.000 -4.769 10.991) 11.981 20.115 ( 0.000 -4.843 11.330) 12.322 20.360 ( 0.000 7.481 -8.342) 11.206 20.385 ( 0.000 7.065 -8.473) 11.032 20.518 ( 0.000 -7.454 -9.535) 12.103 20.533 ( 0.000 -6.998 -9.508) 11.806 25.555 ( 0.000 54.244 2.057) 54.283 25.631 ( 0.000 52.469 -1.714) 52.497 25.726 ( 0.000 50.728 0.142) 50.728 25.727 ( 0.000 50.564 0.089) 50.565 26.681 ( 0.000 -53.377 1.528) 53.399 26.733 ( 0.000 -53.240 -1.045) 53.250 26.783 ( 0.000 -51.113 0.526) 51.116 26.806 ( 0.000 -52.471 -0.670) 52.475 37.327 ( 0.000 19.321 10.501) 21.990 37.512 ( 0.000 15.360 15.681) 21.951 37.577 ( 0.000 -4.022 10.157) 10.924 37.690 ( 0.000 -1.410 11.805) 11.889 37.753 ( 0.000 17.904 -10.008) 20.512 37.970 ( 0.000 -2.456 -9.003) 9.332 38.261 ( 0.000 7.301 -15.783) 17.390 38.285 ( 0.000 4.749 -22.306) 22.806 42.093 ( 0.000 10.920 1.336) 11.002 42.121 ( 0.000 13.924 0.801) 13.947 42.307 ( 0.000 -9.621 2.916) 10.053 42.335 ( 0.000 5.978 7.947) 9.944 42.411 ( 0.000 -12.933 -1.548) 13.025 42.514 ( 0.000 -10.172 2.922) 10.583 42.723 ( 0.000 -2.433 -6.673) 7.102 42.758 ( 0.000 -6.067 -12.239) 13.660 ======================= Grid point 191 (71/90) ======================= q-point: ( 0.25 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -0.053 7.334 0.259) 7.338 2.536 ( -4.116 1.120 -3.247) 5.360 2.606 ( -2.966 -0.311 -7.318) 7.902 2.631 ( -4.844 -3.333 -6.352) 8.655 3.072 ( 7.433 4.643 3.274) 9.356 3.172 ( 4.378 2.098 -1.891) 5.211 3.223 ( 2.736 -0.438 -0.359) 2.794 3.292 ( 3.783 -1.953 -3.193) 5.321 3.512 ( -0.532 2.881 2.339) 3.749 3.559 ( -2.282 4.383 -1.822) 5.267 3.600 ( -0.928 3.154 -1.847) 3.771 3.686 ( -2.721 -4.624 -3.198) 6.247 3.748 ( 2.452 1.550 1.840) 3.435 3.795 ( 1.156 -3.977 2.872) 5.040 3.894 ( 1.458 4.353 -5.023) 6.805 3.976 ( -0.564 -1.711 -5.632) 5.913 4.548 ( -1.412 2.197 6.885) 7.364 4.652 ( -2.349 1.424 7.718) 8.192 4.729 ( -0.825 -0.235 0.044) 0.859 4.851 ( -2.026 -1.284 -0.121) 2.402 5.685 ( 6.890 4.206 2.052) 8.329 5.739 ( 7.970 4.235 0.433) 9.035 5.834 ( 5.483 -3.523 3.088) 7.211 5.867 ( 6.478 -3.447 1.378) 7.466 6.175 ( -6.677 2.570 6.053) 9.371 6.306 ( -6.822 -2.553 2.839) 7.817 6.375 ( -5.887 6.094 -4.065) 9.398 6.481 ( -7.935 -2.590 -5.431) 9.958 7.132 ( 3.838 2.111 7.471) 8.661 7.257 ( 0.639 -3.662 6.412) 7.411 7.399 ( 1.283 2.051 -4.972) 5.529 7.480 ( 0.058 -1.275 -4.725) 4.894 7.528 ( 0.098 0.290 10.180) 10.184 7.595 ( -1.991 -5.243 9.875) 11.357 7.939 ( -0.381 -0.939 -9.790) 9.842 7.995 ( -2.772 -6.037 -9.562) 11.643 12.713 ( 2.620 19.559 0.990) 19.758 12.725 ( 2.350 19.570 1.266) 19.751 12.771 ( 1.257 21.060 -0.783) 21.112 12.818 ( 1.420 21.432 -2.160) 21.587 13.020 ( 1.003 32.899 1.757) 32.961 13.073 ( 0.669 34.358 -0.802) 34.374 13.139 ( -1.606 17.460 2.592) 17.724 13.244 ( -5.021 13.376 -2.583) 14.519 15.223 ( 2.296 18.065 0.970) 18.236 15.268 ( 1.967 16.979 -1.188) 17.134 15.336 ( -1.868 14.295 1.114) 14.460 15.391 ( -2.425 12.324 -1.644) 12.668 16.120 ( 0.725 -57.624 1.005) 57.637 16.152 ( -0.463 -55.443 0.923) 55.453 16.166 ( 0.620 -57.489 -1.162) 57.505 16.193 ( -0.383 -55.589 -1.008) 55.599 20.011 ( 0.130 4.330 9.270) 10.232 20.018 ( -0.123 4.291 9.615) 10.530 20.108 ( 0.107 -4.764 11.041) 12.025 20.114 ( -0.126 -4.816 11.281) 12.267 20.364 ( 0.330 7.412 -8.361) 11.179 20.381 ( -0.323 7.116 -8.453) 11.055 20.520 ( 0.195 -7.369 -9.537) 12.054 20.531 ( -0.193 -7.049 -9.518) 11.845 25.576 ( 1.962 53.732 1.808) 53.798 25.642 ( 1.027 52.130 -1.461) 52.160 25.697 ( -2.587 51.128 0.390) 51.195 25.709 ( -1.457 50.936 -0.185) 50.957 26.696 ( 1.360 -52.971 1.394) 53.007 26.743 ( 0.829 -53.058 -0.866) 53.072 26.769 ( -1.230 -51.325 0.550) 51.343 26.795 ( -0.989 -52.596 -0.702) 52.610 37.351 ( 2.167 18.776 11.142) 21.941 37.480 ( -2.781 15.787 14.882) 21.873 37.590 ( 1.228 -3.591 10.256) 10.936 37.660 ( -1.828 -0.244 9.670) 9.844 37.832 ( 6.404 15.031 -9.605) 18.952 38.011 ( 3.688 -1.050 -9.840) 10.560 38.191 ( -7.419 7.145 -19.137) 21.733 38.220 ( -4.394 5.953 -15.361) 17.050 42.144 ( 2.504 10.462 2.209) 10.982 42.171 ( 6.173 7.900 0.160) 10.027 42.291 ( -2.476 4.133 6.441) 8.043 42.343 ( 1.396 -4.232 0.942) 4.555 42.435 ( 1.873 -11.538 -0.104) 11.690 42.500 ( -1.224 -10.001 2.568) 10.398 42.696 ( -2.115 -3.283 -7.383) 8.352 42.726 ( -2.756 -5.071 -10.301) 11.808 ======================= Grid point 192 (72/90) ======================= q-point: (-0.50 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -2.794 3.977 -1.963) 5.242 2.457 ( 2.794 3.977 -1.963) 5.242 2.572 ( -0.455 -1.281 -6.329) 6.473 2.572 ( 0.455 -1.281 -6.329) 6.473 3.193 ( -3.018 -0.850 2.788) 4.196 3.193 ( 3.018 -0.850 2.788) 4.196 3.299 ( -3.122 6.481 -3.051) 7.814 3.299 ( 3.122 6.481 -3.051) 7.814 3.521 ( -1.261 3.078 -0.039) 3.326 3.521 ( 1.261 3.078 -0.039) 3.327 3.618 ( -2.954 -3.083 -2.626) 5.012 3.618 ( 2.954 -3.083 -2.626) 5.012 3.797 ( -1.495 -2.512 1.791) 3.428 3.797 ( 1.495 -2.512 1.791) 3.428 3.936 ( -2.657 2.314 -5.381) 6.432 3.936 ( 2.657 2.314 -5.381) 6.432 4.578 ( -3.852 0.389 7.946) 8.839 4.578 ( 3.852 0.389 7.946) 8.839 4.768 ( -4.459 -0.446 -1.523) 4.733 4.768 ( 4.459 -0.446 -1.523) 4.733 5.852 ( -5.857 1.958 4.251) 7.498 5.852 ( 5.857 1.958 4.251) 7.498 5.928 ( -5.443 3.353 2.717) 6.946 5.928 ( 5.443 3.353 2.717) 6.946 6.130 ( -7.317 -1.886 2.925) 8.102 6.130 ( 7.317 -1.886 2.925) 8.103 6.319 ( -3.979 -0.081 -5.244) 6.583 6.319 ( 3.979 -0.081 -5.244) 6.583 7.225 ( -3.818 -0.637 6.179) 7.292 7.225 ( 3.818 -0.637 6.179) 7.292 7.449 ( -2.743 1.037 -3.729) 4.744 7.449 ( 2.743 1.037 -3.729) 4.744 7.549 ( -1.899 -3.433 9.019) 9.835 7.549 ( 1.899 -3.433 9.019) 9.835 7.946 ( -1.408 -3.585 -9.564) 10.311 7.946 ( 1.408 -3.585 -9.564) 10.311 12.746 ( -1.328 21.466 1.675) 21.572 12.746 ( 1.328 21.466 1.675) 21.572 12.817 ( -1.890 21.118 -1.883) 21.286 12.817 ( 1.890 21.118 -1.883) 21.286 13.081 ( -3.855 23.920 1.231) 24.260 13.081 ( 3.855 23.920 1.231) 24.260 13.126 ( -4.711 23.759 -0.866) 24.237 13.126 ( 4.711 23.759 -0.866) 24.237 15.279 ( -2.673 15.926 1.054) 16.183 15.279 ( 2.673 15.926 1.054) 16.183 15.329 ( -2.998 14.194 -1.451) 14.579 15.329 ( 2.998 14.194 -1.451) 14.579 16.138 ( -0.849 -56.205 0.976) 56.220 16.138 ( 0.849 -56.205 0.976) 56.220 16.181 ( -0.724 -56.605 -1.111) 56.620 16.181 ( 0.724 -56.605 -1.111) 56.620 20.015 ( -0.180 4.305 9.444) 10.380 20.015 ( 0.180 4.305 9.444) 10.380 20.111 ( -0.166 -4.774 11.161) 12.140 20.111 ( 0.166 -4.774 11.161) 12.140 20.373 ( -0.461 7.256 -8.407) 11.115 20.373 ( 0.461 7.256 -8.407) 11.115 20.525 ( -0.275 -7.193 -9.533) 11.945 20.525 ( 0.275 -7.193 -9.533) 11.945 25.632 ( -3.162 52.386 1.165) 52.494 25.632 ( 3.162 52.386 1.165) 52.494 25.673 ( -1.712 51.544 -0.900) 51.580 25.673 ( 1.712 51.544 -0.900) 51.580 26.732 ( -1.859 -52.133 1.055) 52.177 26.732 ( 1.859 -52.133 1.055) 52.177 26.770 ( -1.257 -52.724 -0.849) 52.746 26.770 ( 1.257 -52.724 -0.849) 52.746 37.411 ( -3.411 17.319 12.897) 21.862 37.411 ( 3.411 17.319 12.897) 21.862 37.623 ( -1.748 -2.325 10.233) 10.639 37.623 ( 1.748 -2.325 10.233) 10.639 38.001 ( -9.251 12.026 -14.404) 20.921 38.001 ( 9.251 12.026 -14.404) 20.921 38.114 ( -5.323 2.382 -12.266) 13.582 38.114 ( 5.323 2.382 -12.266) 13.582 42.209 ( -3.351 6.563 4.490) 8.629 42.209 ( 3.351 6.563 4.490) 8.629 42.318 ( -4.579 1.460 -0.888) 4.887 42.318 ( 4.579 1.460 -0.888) 4.887 42.473 ( -1.438 -10.068 1.110) 10.230 42.473 ( 1.438 -10.068 1.110) 10.230 42.675 ( -1.040 -4.352 -7.886) 9.068 42.675 ( 1.040 -4.352 -7.886) 9.068 ======================= Grid point 220 (73/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.000 0.000 -16.650) 16.650 1.633 ( 0.000 0.000 16.650) 16.650 1.700 ( 0.000 0.000 -18.680) 18.680 1.700 ( 0.000 0.000 18.680) 18.680 2.360 ( 0.000 0.000 -1.737) 1.737 2.360 ( 0.000 0.000 1.737) 1.737 2.578 ( 0.000 0.000 -6.113) 6.113 2.578 ( 0.000 0.000 6.113) 6.113 2.998 ( 0.000 0.000 -16.449) 16.449 2.998 ( 0.000 0.000 16.449) 16.449 3.497 ( 0.000 0.000 -4.353) 4.353 3.497 ( 0.000 0.000 4.353) 4.353 3.769 ( 0.000 0.000 -21.896) 21.896 3.769 ( 0.000 0.000 21.896) 21.896 3.917 ( 0.000 0.000 -4.254) 4.254 3.917 ( 0.000 0.000 4.254) 4.254 4.459 ( 0.000 0.000 -5.294) 5.294 4.459 ( 0.000 0.000 5.294) 5.294 4.643 ( 0.000 0.000 -2.777) 2.777 4.643 ( 0.000 0.000 2.777) 2.777 4.774 ( 0.000 0.000 -3.593) 3.593 4.774 ( 0.000 0.000 3.593) 3.593 4.824 ( 0.000 0.000 -0.048) 0.048 4.824 ( 0.000 0.000 0.048) 0.048 5.627 ( 0.000 0.000 -3.951) 3.951 5.627 ( 0.000 0.000 3.951) 3.951 5.999 ( 0.000 0.000 -6.787) 6.787 5.999 ( 0.000 0.000 6.787) 6.787 6.732 ( 0.000 0.000 -13.902) 13.902 6.732 ( 0.000 0.000 13.902) 13.902 7.097 ( 0.000 0.000 -6.881) 6.881 7.097 ( 0.000 0.000 6.881) 6.881 8.254 ( 0.000 0.000 -17.093) 17.093 8.254 ( 0.000 0.000 17.093) 17.093 8.522 ( 0.000 0.000 -1.275) 1.275 8.522 ( 0.000 0.000 1.275) 1.275 9.072 ( 0.000 0.000 -0.884) 0.884 9.072 ( 0.000 0.000 0.884) 0.884 9.352 ( 0.000 0.000 -0.279) 0.279 9.352 ( 0.000 0.000 0.279) 0.279 10.846 ( 0.000 0.000 -1.459) 1.459 10.846 ( 0.000 0.000 1.459) 1.459 11.157 ( 0.000 0.000 -1.408) 1.408 11.157 ( 0.000 0.000 1.408) 1.408 18.404 ( 0.000 0.000 -1.344) 1.344 18.404 ( 0.000 0.000 1.344) 1.344 18.464 ( 0.000 0.000 -0.935) 0.935 18.464 ( 0.000 0.000 0.935) 0.935 19.264 ( 0.000 0.000 -0.810) 0.810 19.264 ( 0.000 0.000 0.810) 0.810 19.302 ( 0.000 0.000 -1.139) 1.139 19.302 ( 0.000 0.000 1.139) 1.139 20.066 ( 0.000 0.000 -5.539) 5.539 20.066 ( 0.000 0.000 5.539) 5.539 20.236 ( 0.000 0.000 -0.008) 0.008 20.236 ( 0.000 0.000 0.008) 0.008 20.555 ( 0.000 0.000 -0.904) 0.904 20.555 ( 0.000 0.000 0.904) 0.904 20.596 ( 0.000 0.000 -1.028) 1.028 20.596 ( 0.000 0.000 1.028) 1.028 21.471 ( 0.000 0.000 -9.222) 9.222 21.471 ( 0.000 0.000 9.222) 9.222 21.767 ( 0.000 0.000 -1.962) 1.962 21.767 ( 0.000 0.000 1.962) 1.962 31.882 ( 0.000 0.000 -0.527) 0.527 31.882 ( 0.000 0.000 0.527) 0.527 31.895 ( 0.000 0.000 -0.526) 0.526 31.895 ( 0.000 0.000 0.526) 0.526 34.439 ( 0.000 0.000 -0.352) 0.352 34.439 ( 0.000 0.000 0.352) 0.352 34.442 ( 0.000 0.000 -0.394) 0.394 34.442 ( 0.000 0.000 0.394) 0.394 34.891 ( 0.000 0.000 -1.276) 1.276 34.891 ( 0.000 0.000 1.276) 1.276 35.008 ( 0.000 0.000 -0.132) 0.132 35.008 ( 0.000 0.000 0.132) 0.132 41.538 ( 0.000 0.000 -0.883) 0.883 41.538 ( 0.000 0.000 0.883) 0.883 43.026 ( 0.000 0.000 -8.901) 8.901 43.026 ( 0.000 0.000 8.901) 8.901 43.240 ( 0.000 0.000 -11.479) 11.479 43.240 ( 0.000 0.000 11.479) 11.479 43.689 ( 0.000 0.000 -46.866) 46.866 43.689 ( 0.000 0.000 46.866) 46.866 ======================= Grid point 222 (74/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 11.246 0.000 -1.418) 11.335 1.754 ( 11.246 0.000 1.418) 11.335 1.933 ( 18.716 0.000 -1.870) 18.809 1.933 ( 18.716 0.000 1.870) 18.809 2.359 ( -12.424 0.000 -0.549) 12.436 2.359 ( -12.424 0.000 0.549) 12.436 2.572 ( 13.865 0.000 -1.795) 13.980 2.572 ( 13.865 0.000 1.795) 13.980 3.023 ( -11.807 0.000 -5.495) 13.023 3.023 ( -11.807 0.000 5.495) 13.023 3.162 ( -8.791 0.000 -13.560) 16.160 3.162 ( -8.791 0.000 13.560) 16.160 3.771 ( -1.731 0.000 -19.719) 19.795 3.771 ( -1.731 0.000 19.719) 19.795 4.125 ( -9.737 0.000 -2.208) 9.985 4.125 ( -9.737 0.000 2.208) 9.984 4.219 ( 5.801 0.000 -3.265) 6.657 4.219 ( 5.801 0.000 3.265) 6.657 4.668 ( -2.041 0.000 -0.007) 2.041 4.668 ( -2.041 0.000 0.007) 2.041 4.784 ( 0.082 0.000 -0.342) 0.352 4.784 ( 0.082 0.000 0.342) 0.352 4.849 ( 1.598 0.000 -4.473) 4.750 4.849 ( 1.598 0.000 4.473) 4.750 5.724 ( 8.033 0.000 -0.851) 8.078 5.724 ( 8.033 0.000 0.851) 8.078 5.996 ( -1.588 0.000 -7.711) 7.873 5.996 ( -1.588 0.000 7.711) 7.873 6.781 ( 5.240 0.000 -13.440) 14.425 6.781 ( 5.240 0.000 13.440) 14.425 7.061 ( -3.765 0.000 -9.542) 10.258 7.061 ( -3.765 0.000 9.542) 10.258 8.314 ( 5.250 0.000 -14.945) 15.841 8.314 ( 5.250 0.000 14.945) 15.841 8.508 ( -1.703 0.000 -3.022) 3.469 8.508 ( -1.703 0.000 3.022) 3.469 9.074 ( 0.693 0.000 -0.055) 0.695 9.074 ( 0.693 0.000 0.055) 0.695 9.270 ( -6.800 0.000 -1.188) 6.903 9.270 ( -6.800 0.000 1.188) 6.903 10.898 ( 4.589 0.000 -1.024) 4.702 10.898 ( 4.589 0.000 1.024) 4.702 11.116 ( -3.742 0.000 -1.005) 3.874 11.116 ( -3.742 0.000 1.005) 3.874 18.411 ( 0.667 0.000 -1.255) 1.421 18.411 ( 0.667 0.000 1.255) 1.421 18.454 ( -0.938 0.000 -0.979) 1.355 18.454 ( -0.938 0.000 0.979) 1.355 19.271 ( 0.646 0.000 -0.857) 1.073 19.271 ( 0.646 0.000 0.857) 1.073 19.298 ( -0.370 0.000 -1.082) 1.143 19.298 ( -0.370 0.000 1.082) 1.143 20.072 ( 0.751 0.000 -5.343) 5.395 20.072 ( 0.751 0.000 5.343) 5.395 20.187 ( -3.933 0.000 -1.626) 4.256 20.187 ( -3.933 0.000 1.626) 4.256 20.569 ( 1.017 0.000 -1.143) 1.530 20.569 ( 1.017 0.000 1.143) 1.530 20.595 ( -0.096 0.000 -1.128) 1.132 20.595 ( -0.096 0.000 1.128) 1.132 21.492 ( 2.157 0.000 -9.117) 9.369 21.492 ( 2.157 0.000 9.117) 9.369 21.692 ( -6.112 0.000 -4.730) 7.729 21.692 ( -6.112 0.000 4.730) 7.729 31.887 ( 0.376 0.000 -0.451) 0.587 31.887 ( 0.376 0.000 0.451) 0.587 31.896 ( -0.002 0.000 -0.488) 0.488 31.896 ( -0.002 0.000 0.488) 0.488 34.438 ( -0.037 0.000 -0.361) 0.363 34.438 ( -0.037 0.000 0.361) 0.363 34.440 ( -0.143 0.000 -0.373) 0.399 34.440 ( -0.143 0.000 0.373) 0.399 34.910 ( 1.683 0.000 -1.094) 2.007 34.910 ( 1.683 0.000 1.094) 2.007 34.992 ( -1.451 0.000 -0.084) 1.453 34.992 ( -1.451 0.000 0.084) 1.453 41.891 ( 29.881 0.000 -10.719) 31.745 41.891 ( 29.881 0.000 10.719) 31.745 42.939 ( -9.597 0.000 -12.542) 15.793 42.939 ( -9.597 0.000 12.542) 15.793 43.266 ( 2.657 0.000 -13.515) 13.774 43.266 ( 2.657 0.000 13.515) 13.774 43.569 ( -10.201 0.000 -40.508) 41.773 43.569 ( -10.201 0.000 40.508) 41.773 ======================= Grid point 224 (75/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -14.173 0.000 -3.609) 14.626 2.031 ( -14.173 0.000 3.609) 14.626 2.031 ( 14.173 0.000 -3.609) 14.626 2.031 ( 14.173 0.000 3.609) 14.626 2.437 ( -24.702 0.000 -6.003) 25.421 2.437 ( -24.702 0.000 6.003) 25.421 2.437 ( 24.702 0.000 -6.003) 25.421 2.437 ( 24.702 0.000 6.003) 25.421 3.033 ( -13.818 0.000 -0.353) 13.822 3.033 ( -13.818 0.000 0.353) 13.822 3.033 ( 13.818 0.000 -0.353) 13.822 3.033 ( 13.818 0.000 0.353) 13.822 3.803 ( -8.199 0.000 -18.645) 20.368 3.803 ( 8.199 0.000 -18.645) 20.368 3.803 ( -8.199 0.000 18.645) 20.368 3.803 ( 8.199 0.000 18.645) 20.368 4.504 ( -12.075 0.000 -3.777) 12.652 4.504 ( -12.075 0.000 3.777) 12.652 4.504 ( 12.075 0.000 -3.777) 12.652 4.504 ( 12.075 0.000 3.777) 12.652 4.833 ( -2.597 0.000 -2.634) 3.699 4.833 ( 2.597 0.000 -2.634) 3.699 4.833 ( -2.597 0.000 2.634) 3.699 4.833 ( 2.597 0.000 2.634) 3.699 5.899 ( -7.460 0.000 -6.066) 9.615 5.899 ( 7.460 0.000 -6.066) 9.615 5.899 ( -7.460 0.000 6.066) 9.615 5.899 ( 7.460 0.000 6.066) 9.615 6.934 ( -7.945 0.000 -12.927) 15.173 6.934 ( 7.945 0.000 -12.927) 15.173 6.934 ( -7.945 0.000 12.927) 15.173 6.934 ( 7.945 0.000 12.927) 15.173 8.435 ( -5.323 0.000 -8.905) 10.375 8.435 ( 5.323 0.000 -8.905) 10.375 8.435 ( -5.323 0.000 8.905) 10.375 8.435 ( 5.323 0.000 8.905) 10.375 9.131 ( -5.188 0.000 -1.329) 5.355 9.131 ( -5.188 0.000 1.329) 5.355 9.131 ( 5.188 0.000 -1.329) 5.355 9.131 ( 5.188 0.000 1.329) 5.355 11.013 ( -5.782 0.000 -0.012) 5.782 11.013 ( -5.782 0.000 0.012) 5.782 11.013 ( 5.782 0.000 -0.012) 5.782 11.013 ( 5.782 0.000 0.012) 5.782 18.430 ( -1.150 0.000 -1.097) 1.589 18.430 ( 1.150 0.000 -1.097) 1.589 18.430 ( -1.150 0.000 1.097) 1.589 18.430 ( 1.150 0.000 1.097) 1.589 19.287 ( -0.715 0.000 -0.966) 1.202 19.287 ( 0.715 0.000 -0.966) 1.202 19.287 ( -0.715 0.000 0.966) 1.202 19.287 ( 0.715 0.000 0.966) 1.202 20.108 ( -2.945 0.000 -4.160) 5.097 20.108 ( 2.945 0.000 -4.160) 5.097 20.108 ( -2.945 0.000 4.160) 5.097 20.108 ( 2.945 0.000 4.160) 5.097 20.588 ( -0.670 0.000 -1.259) 1.427 20.588 ( 0.670 0.000 -1.259) 1.427 20.588 ( -0.670 0.000 1.259) 1.427 20.588 ( 0.670 0.000 1.259) 1.427 21.566 ( -5.058 0.000 -8.064) 9.519 21.566 ( 5.058 0.000 -8.064) 9.519 21.566 ( -5.058 0.000 8.064) 9.519 21.566 ( 5.058 0.000 8.064) 9.519 31.894 ( -0.209 0.000 -0.426) 0.475 31.894 ( 0.209 0.000 -0.426) 0.475 31.894 ( -0.209 0.000 0.426) 0.475 31.894 ( 0.209 0.000 0.426) 0.475 34.438 ( -0.055 0.000 -0.366) 0.370 34.438 ( 0.055 0.000 -0.366) 0.370 34.438 ( -0.055 0.000 0.366) 0.370 34.438 ( 0.055 0.000 0.366) 0.370 34.952 ( -2.188 0.000 -0.599) 2.268 34.952 ( -2.188 0.000 0.599) 2.268 34.952 ( 2.188 0.000 -0.599) 2.268 34.952 ( 2.188 0.000 0.599) 2.268 42.551 ( -28.067 0.000 -20.199) 34.580 42.551 ( 28.067 0.000 -20.199) 34.580 42.551 ( -28.067 0.000 20.199) 34.580 42.551 ( 28.067 0.000 20.199) 34.580 43.365 ( -7.418 0.000 -22.723) 23.904 43.365 ( 7.418 0.000 -22.723) 23.904 43.365 ( -7.418 0.000 22.723) 23.904 43.365 ( 7.418 0.000 22.723) 23.904 ======================= Grid point 230 (76/90) ======================= q-point: ( 0.00 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.000 16.274 -15.620) 22.558 1.882 ( 0.000 16.274 15.620) 22.558 2.167 ( 0.000 22.863 -13.279) 26.440 2.167 ( 0.000 22.863 13.279) 26.440 2.503 ( 0.000 18.155 -3.853) 18.560 2.503 ( 0.000 18.155 3.853) 18.560 2.674 ( 0.000 10.066 -4.161) 10.892 2.674 ( 0.000 10.066 4.161) 10.892 2.984 ( 0.000 -1.406 -17.575) 17.631 2.984 ( 0.000 -1.406 17.575) 17.631 3.457 ( 0.000 -3.559 -4.282) 5.567 3.457 ( 0.000 -3.559 4.282) 5.568 3.918 ( 0.000 11.453 -15.603) 19.355 3.918 ( 0.000 11.453 15.603) 19.355 4.114 ( 0.000 12.004 -2.342) 12.231 4.114 ( 0.000 12.004 2.342) 12.231 4.592 ( 0.000 -6.572 -1.173) 6.676 4.592 ( 0.000 -6.572 1.173) 6.676 4.652 ( 0.000 24.773 -5.677) 25.415 4.652 ( 0.000 24.773 5.677) 25.415 4.711 ( 0.000 -3.750 -0.458) 3.778 4.711 ( 0.000 -3.750 0.458) 3.778 5.036 ( 0.000 21.552 -2.636) 21.712 5.036 ( 0.000 21.552 2.636) 21.712 5.638 ( 0.000 0.652 -3.994) 4.047 5.638 ( 0.000 0.652 3.994) 4.047 5.994 ( 0.000 -0.255 -6.060) 6.066 5.994 ( 0.000 -0.255 6.060) 6.066 6.777 ( 0.000 5.369 -12.697) 13.785 6.777 ( 0.000 5.369 12.697) 13.785 7.079 ( 0.000 -1.288 -6.579) 6.704 7.079 ( 0.000 -1.288 6.579) 6.704 8.190 ( 0.000 -5.537 -16.966) 17.847 8.190 ( 0.000 -5.537 16.966) 17.847 8.498 ( 0.000 -2.451 -4.836) 5.422 8.498 ( 0.000 -2.451 4.836) 5.422 9.095 ( 0.000 3.504 -1.298) 3.736 9.095 ( 0.000 3.504 1.298) 3.736 9.404 ( 0.000 6.222 -2.969) 6.895 9.404 ( 0.000 6.222 2.969) 6.895 11.034 ( 0.000 15.761 -0.970) 15.791 11.034 ( 0.000 15.761 0.970) 15.791 11.261 ( 0.000 10.839 -0.350) 10.845 11.261 ( 0.000 10.839 0.350) 10.845 17.914 ( 0.000 -37.592 -1.031) 37.606 17.914 ( 0.000 -37.592 1.031) 37.606 17.965 ( 0.000 -38.683 -0.763) 38.691 17.965 ( 0.000 -38.683 0.763) 38.691 19.236 ( 0.000 -3.501 -1.303) 3.736 19.236 ( 0.000 -3.501 1.303) 3.736 19.272 ( 0.000 -3.604 -1.492) 3.901 19.272 ( 0.000 -3.604 1.492) 3.901 20.377 ( 0.000 18.600 -7.609) 20.096 20.377 ( 0.000 18.600 7.609) 20.096 20.421 ( 0.000 -11.935 -0.453) 11.944 20.421 ( 0.000 -11.935 0.453) 11.944 20.468 ( 0.000 -11.451 -0.627) 11.469 20.468 ( 0.000 -11.451 0.627) 11.469 20.585 ( 0.000 19.422 -1.711) 19.498 20.585 ( 0.000 19.422 1.711) 19.498 21.656 ( 0.000 19.963 -6.936) 21.134 21.656 ( 0.000 19.963 6.936) 21.134 21.887 ( 0.000 16.812 -4.615) 17.434 21.887 ( 0.000 16.812 4.615) 17.434 31.305 ( 0.000 -46.916 -2.419) 46.978 31.305 ( 0.000 -46.916 2.419) 46.978 31.347 ( 0.000 -45.483 -1.981) 45.526 31.347 ( 0.000 -45.483 1.981) 45.526 34.716 ( 0.000 25.432 -1.970) 25.508 34.716 ( 0.000 25.432 1.970) 25.508 34.911 ( 0.000 40.658 -10.146) 41.905 34.911 ( 0.000 40.658 10.146) 41.905 35.408 ( 0.000 41.383 -3.514) 41.531 35.408 ( 0.000 41.383 3.514) 41.531 35.506 ( 0.000 40.141 -2.692) 40.231 35.506 ( 0.000 40.141 2.692) 40.231 41.546 ( 0.000 0.870 -1.041) 1.356 41.546 ( 0.000 0.870 1.041) 1.356 42.986 ( 0.000 -3.749 -6.886) 7.841 42.986 ( 0.000 -3.749 6.886) 7.841 43.208 ( 0.000 -3.054 -9.603) 10.077 43.208 ( 0.000 -3.054 9.603) 10.077 43.564 ( 0.000 -11.517 -43.947) 45.431 43.564 ( 0.000 -11.517 43.947) 45.431 ======================= Grid point 232 (77/90) ======================= q-point: ( 0.25 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 5.386 12.031 -11.379) 17.414 1.922 ( 5.386 12.031 11.379) 17.414 2.300 ( 10.184 18.100 -11.922) 23.947 2.300 ( 10.184 18.100 11.922) 23.947 2.440 ( -12.031 5.885 -3.147) 13.758 2.440 ( -12.031 5.885 3.147) 13.758 2.746 ( 15.293 18.700 -4.293) 24.535 2.746 ( 15.292 18.700 4.293) 24.535 3.022 ( -4.845 -0.610 -6.756) 8.336 3.022 ( -4.845 -0.610 6.756) 8.336 3.248 ( -9.237 6.032 -9.118) 14.312 3.248 ( -9.237 6.032 9.118) 14.312 3.912 ( -0.966 13.777 -20.094) 24.382 3.912 ( -0.966 13.777 20.094) 24.382 4.196 ( -4.412 0.982 -3.534) 5.738 4.196 ( -4.412 0.982 3.534) 5.738 4.451 ( 1.063 21.296 -3.440) 21.598 4.451 ( 1.063 21.296 3.440) 21.598 4.673 ( 1.969 -0.244 -1.554) 2.520 4.673 ( 1.969 -0.244 1.554) 2.520 4.800 ( 2.877 2.453 -1.370) 4.021 4.800 ( 2.877 2.453 1.370) 4.021 4.980 ( -4.945 20.395 -3.068) 21.209 4.980 ( -4.945 20.395 3.068) 21.209 5.728 ( 7.512 0.208 -0.413) 7.526 5.728 ( 7.512 0.208 0.413) 7.526 5.990 ( -1.519 -0.441 -6.578) 6.765 5.990 ( -1.519 -0.441 6.578) 6.765 6.809 ( 3.601 3.791 -12.094) 13.175 6.809 ( 3.601 3.791 12.094) 13.175 7.041 ( -3.791 -1.177 -8.521) 9.400 7.041 ( -3.791 -1.177 8.521) 9.400 8.246 ( 5.002 -5.855 -15.357) 17.180 8.246 ( 5.002 -5.855 15.357) 17.180 8.470 ( -2.975 -3.713 -6.554) 8.099 8.470 ( -2.975 -3.713 6.554) 8.099 9.110 ( 1.812 4.644 -0.927) 5.071 9.110 ( 1.812 4.644 0.927) 5.071 9.326 ( -6.497 6.503 -1.848) 9.376 9.326 ( -6.497 6.503 1.848) 9.376 11.079 ( 3.863 15.488 -0.737) 15.980 11.079 ( 3.863 15.488 0.737) 15.980 11.238 ( -2.251 11.928 -0.335) 12.143 11.238 ( -2.251 11.928 0.335) 12.143 17.921 ( 0.624 -37.673 -0.999) 37.691 17.921 ( 0.624 -37.673 0.999) 37.691 17.957 ( -0.742 -38.448 -0.807) 38.464 17.957 ( -0.742 -38.448 0.807) 38.464 19.243 ( 0.589 -3.544 -1.329) 3.831 19.243 ( 0.589 -3.544 1.329) 3.831 19.268 ( -0.373 -3.619 -1.463) 3.922 19.268 ( -0.373 -3.619 1.463) 3.922 20.376 ( 0.113 13.257 -6.174) 14.625 20.376 ( 0.113 13.257 6.174) 14.625 20.414 ( -0.838 -6.908 -0.897) 7.016 20.414 ( -0.838 -6.908 0.897) 7.016 20.479 ( 1.076 -6.321 -1.189) 6.521 20.479 ( 1.076 -6.321 1.189) 6.521 20.559 ( -2.123 15.142 -2.036) 15.425 20.559 ( -2.123 15.142 2.036) 15.425 21.670 ( 1.518 19.726 -7.118) 21.026 21.670 ( 1.518 19.726 7.118) 21.026 21.825 ( -4.946 17.684 -5.648) 19.211 21.825 ( -4.946 17.684 5.648) 19.211 31.313 ( 0.693 -46.769 -2.320) 46.832 31.313 ( 0.693 -46.769 2.320) 46.832 31.343 ( -0.432 -45.741 -2.020) 45.788 31.343 ( -0.432 -45.741 2.020) 45.788 34.733 ( 1.614 26.848 -2.424) 27.005 34.733 ( 1.614 26.848 2.424) 27.005 34.865 ( -3.800 37.209 -7.641) 38.175 34.865 ( -3.800 37.209 7.641) 38.175 35.425 ( 1.468 41.237 -3.233) 41.389 35.425 ( 1.468 41.237 3.233) 41.389 35.493 ( -1.151 40.339 -2.729) 40.448 35.493 ( -1.151 40.339 2.729) 40.448 41.879 ( 28.214 -1.075 -9.962) 29.940 41.879 ( 28.214 -1.075 9.962) 29.940 42.899 ( -9.746 -3.804 -11.606) 15.626 42.899 ( -9.746 -3.804 11.606) 15.626 43.224 ( 1.781 -3.889 -11.922) 12.666 43.224 ( 1.781 -3.889 11.922) 12.666 43.458 ( -8.639 -10.048 -37.076) 39.372 43.458 ( -8.639 -10.048 37.076) 39.372 ======================= Grid point 234 (78/90) ======================= q-point: (-0.50 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -12.949 6.266 -6.054) 15.608 2.121 ( 9.478 6.266 -5.292) 12.534 2.121 ( -9.478 6.266 5.292) 12.534 2.121 ( 12.949 6.266 6.054) 15.608 2.648 ( -18.346 11.645 -10.774) 24.254 2.648 ( 17.989 11.645 -10.707) 23.955 2.648 ( -17.989 11.645 10.707) 23.955 2.648 ( 18.346 11.645 10.774) 24.254 3.120 ( -10.453 8.392 -4.077) 14.011 3.120 ( 5.104 8.392 -2.715) 10.190 3.120 ( -5.104 8.392 2.715) 10.190 3.120 ( 10.453 8.392 4.077) 14.011 3.966 ( -8.243 14.564 -16.954) 23.822 3.966 ( 8.070 14.564 -16.944) 23.756 3.966 ( -8.070 14.564 16.944) 23.756 3.966 ( 8.243 14.564 16.954) 23.822 4.625 ( -7.595 5.154 -4.417) 10.187 4.625 ( 6.808 5.154 -4.272) 9.548 4.625 ( -6.808 5.154 4.272) 9.548 4.625 ( 7.596 5.154 4.417) 10.187 4.868 ( -4.660 12.004 -3.035) 13.229 4.868 ( 4.596 12.004 -3.024) 13.204 4.868 ( -4.596 12.004 3.024) 13.204 4.868 ( 4.660 12.004 3.035) 13.229 5.896 ( -6.778 -0.275 -5.577) 8.781 5.896 ( 4.709 -0.275 -5.335) 7.121 5.896 ( -4.709 -0.275 5.335) 7.121 5.896 ( 6.778 -0.275 5.577) 8.781 6.926 ( -6.627 0.391 -11.202) 13.022 6.926 ( 6.627 0.391 -11.202) 13.022 6.926 ( -6.627 0.391 11.202) 13.022 6.926 ( 6.627 0.391 11.202) 13.022 8.371 ( -6.118 -5.637 -11.124) 13.891 8.371 ( 6.097 -5.637 -11.123) 13.880 8.371 ( -6.097 -5.637 11.123) 13.880 8.371 ( 6.118 -5.637 11.124) 13.891 9.187 ( -4.605 6.376 -1.034) 7.933 9.187 ( -4.269 6.376 -0.860) 7.721 9.187 ( 4.269 6.376 0.860) 7.721 9.187 ( 4.605 6.376 1.034) 7.933 11.169 ( -3.235 14.097 -1.080) 14.504 11.169 ( -2.695 14.097 -0.901) 14.381 11.169 ( 2.695 14.097 0.901) 14.381 11.169 ( 3.235 14.097 1.080) 14.504 17.938 ( -0.882 -37.985 -1.051) 38.010 17.938 ( 0.711 -37.985 -1.037) 38.006 17.938 ( -0.711 -37.985 1.037) 38.006 17.938 ( 0.882 -37.985 1.051) 38.010 19.257 ( -0.669 -3.609 -1.396) 3.927 19.257 ( 0.669 -3.609 -1.396) 3.927 19.257 ( -0.669 -3.609 1.396) 3.927 19.257 ( 0.669 -3.609 1.396) 3.927 20.390 ( -1.109 3.818 -3.652) 5.398 20.390 ( 1.072 3.818 -3.650) 5.390 20.390 ( -1.072 3.818 3.650) 5.390 20.390 ( 1.109 3.818 3.652) 5.398 20.512 ( -1.867 4.034 -2.511) 5.105 20.512 ( 1.496 4.034 -2.483) 4.967 20.512 ( -1.496 4.034 2.483) 4.967 20.512 ( 1.867 4.034 2.511) 5.105 21.726 ( -3.909 18.975 -7.077) 20.625 21.726 ( 3.897 18.975 -7.076) 20.623 21.726 ( -3.897 18.975 7.076) 20.623 21.726 ( 3.909 18.975 7.077) 20.625 31.330 ( -0.739 -46.306 -2.264) 46.367 31.330 ( 0.720 -46.306 -2.263) 46.366 31.330 ( -0.720 -46.306 2.263) 46.366 31.330 ( 0.739 -46.306 2.264) 46.367 34.785 ( -3.157 31.100 -4.584) 31.594 34.785 ( 2.836 31.100 -4.560) 31.560 34.785 ( -2.836 31.100 4.560) 31.560 34.785 ( 3.157 31.100 4.584) 31.594 35.461 ( -1.519 40.797 -3.613) 40.985 35.461 ( 1.300 40.797 -3.603) 40.976 35.461 ( -1.300 40.797 3.603) 40.976 35.461 ( 1.519 40.797 3.613) 40.985 42.510 ( -27.412 -3.834 -19.383) 33.791 42.510 ( 27.134 -3.834 -19.340) 33.541 42.510 ( -27.134 -3.834 19.340) 33.541 42.510 ( 27.412 -3.834 19.383) 33.791 43.296 ( -5.563 -6.251 -20.167) 21.835 43.296 ( 5.563 -6.251 -20.167) 21.835 43.296 ( -5.563 -6.251 20.167) 21.835 43.296 ( 5.563 -6.251 20.167) 21.835 ======================= Grid point 240 (79/90) ======================= q-point: ( 0.00 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.000 23.573 -10.057) 25.629 2.316 ( 0.000 23.573 10.057) 25.629 2.317 ( 0.000 1.861 -11.601) 11.749 2.317 ( 0.000 1.861 11.601) 11.749 2.712 ( 0.000 4.090 -7.577) 8.610 2.712 ( 0.000 4.090 7.577) 8.610 2.935 ( 0.000 -3.460 -17.919) 18.249 2.935 ( 0.000 -3.460 17.919) 18.249 3.084 ( 0.000 16.425 -6.425) 17.637 3.084 ( 0.000 16.425 6.425) 17.637 3.381 ( 0.000 -2.342 -4.211) 4.818 3.381 ( 0.000 -2.342 4.211) 4.818 4.118 ( 0.000 -0.816 -10.774) 10.805 4.118 ( 0.000 -0.816 10.774) 10.805 4.328 ( 0.000 17.534 -17.472) 24.753 4.328 ( 0.000 17.534 17.472) 24.753 4.359 ( 0.000 -14.089 -2.623) 14.331 4.359 ( 0.000 -14.089 2.623) 14.331 4.663 ( 0.000 -1.770 -2.447) 3.020 4.663 ( 0.000 -1.770 2.447) 3.020 5.352 ( 0.000 30.215 -2.593) 30.326 5.352 ( 0.000 30.215 2.593) 30.326 5.633 ( 0.000 -1.340 -3.394) 3.649 5.633 ( 0.000 -1.340 3.394) 3.649 5.724 ( 0.000 39.282 -2.261) 39.347 5.724 ( 0.000 39.282 2.261) 39.347 6.009 ( 0.000 2.241 -3.195) 3.902 6.009 ( 0.000 2.241 3.195) 3.902 7.015 ( 0.000 17.581 -9.754) 20.105 7.015 ( 0.000 17.581 9.754) 20.105 7.064 ( 0.000 0.201 -6.431) 6.434 7.064 ( 0.000 0.201 6.431) 6.434 8.049 ( 0.000 -7.421 -16.170) 17.791 8.049 ( 0.000 -7.421 16.170) 17.791 8.398 ( 0.000 -7.475 -9.193) 11.848 8.398 ( 0.000 -7.475 9.193) 11.848 9.367 ( 0.000 27.347 -1.471) 27.386 9.367 ( 0.000 27.347 1.471) 27.386 9.689 ( 0.000 23.716 -2.902) 23.893 9.689 ( 0.000 23.716 2.902) 23.893 11.377 ( 0.000 16.449 -0.376) 16.453 11.377 ( 0.000 16.449 0.376) 16.453 11.659 ( 0.000 25.874 -3.553) 26.117 11.659 ( 0.000 25.874 3.553) 26.117 17.059 ( 0.000 -42.849 -1.111) 42.864 17.059 ( 0.000 -42.849 1.111) 42.864 17.083 ( 0.000 -42.633 -1.191) 42.650 17.083 ( 0.000 -42.633 1.191) 42.650 19.036 ( 0.000 -18.547 -1.252) 18.589 19.036 ( 0.000 -18.547 1.252) 18.590 19.079 ( 0.000 -17.547 -1.833) 17.643 19.079 ( 0.000 -17.547 1.833) 17.643 20.144 ( 0.000 -11.397 -2.396) 11.646 20.144 ( 0.000 -11.397 2.396) 11.646 20.192 ( 0.000 -12.016 -2.566) 12.287 20.192 ( 0.000 -12.016 2.566) 12.287 20.586 ( 0.000 2.167 -11.730) 11.928 20.586 ( 0.000 2.167 11.730) 11.928 20.732 ( 0.000 -2.920 -8.078) 8.589 20.732 ( 0.000 -2.920 8.078) 8.589 22.346 ( 0.000 43.943 -4.938) 44.220 22.346 ( 0.000 43.943 4.938) 44.220 22.580 ( 0.000 45.134 -2.485) 45.203 22.580 ( 0.000 45.134 2.485) 45.203 30.184 ( 0.000 -57.081 -2.715) 57.146 30.184 ( 0.000 -57.081 2.715) 57.146 30.247 ( 0.000 -56.425 -2.120) 56.465 30.247 ( 0.000 -56.425 2.120) 56.465 35.416 ( 0.000 39.088 -6.763) 39.669 35.416 ( 0.000 39.088 6.763) 39.669 35.908 ( 0.000 49.610 -25.429) 55.748 35.908 ( 0.000 49.610 25.429) 55.748 36.341 ( 0.000 44.019 -4.309) 44.229 36.341 ( 0.000 44.019 4.309) 44.229 36.420 ( 0.000 43.579 -3.575) 43.725 36.420 ( 0.000 43.579 3.575) 43.725 41.583 ( 0.000 2.961 -1.289) 3.229 41.583 ( 0.000 2.961 1.289) 3.229 42.879 ( 0.000 -6.207 -3.172) 6.971 42.879 ( 0.000 -6.207 3.172) 6.971 43.112 ( 0.000 -6.027 -6.270) 8.697 43.112 ( 0.000 -6.027 6.270) 8.697 43.247 ( 0.000 -17.572 -36.588) 40.589 43.247 ( 0.000 -17.572 36.588) 40.589 ======================= Grid point 242 (80/90) ======================= q-point: ( 0.25 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -1.622 11.804 -8.975) 14.917 2.198 ( -1.622 11.804 8.975) 14.917 2.485 ( -4.827 6.455 -4.152) 9.067 2.485 ( -4.827 6.455 4.152) 9.067 2.569 ( 3.108 6.884 -7.450) 10.609 2.569 ( 3.108 6.884 7.450) 10.609 2.971 ( -4.454 -0.887 -7.811) 9.035 2.971 ( -4.454 -0.887 7.811) 9.035 3.127 ( 7.233 10.190 -1.460) 12.581 3.127 ( 7.233 10.190 1.460) 12.581 3.365 ( -1.296 5.196 -4.497) 6.993 3.365 ( -1.296 5.196 4.497) 6.993 4.156 ( 1.194 -3.365 -6.617) 7.519 4.156 ( 1.194 -3.365 6.617) 7.519 4.233 ( -2.959 5.088 -11.007) 12.482 4.233 ( -2.959 5.088 11.007) 12.482 4.484 ( 6.771 0.687 -8.336) 10.762 4.484 ( 6.771 0.687 8.336) 10.762 4.668 ( -0.181 -1.644 -3.444) 3.820 4.668 ( -0.181 -1.644 3.444) 3.820 5.354 ( 1.410 30.463 -1.877) 30.553 5.354 ( 1.410 30.463 1.877) 30.553 5.580 ( -5.572 22.411 -2.875) 23.271 5.580 ( -5.572 22.411 2.875) 23.271 5.779 ( 5.572 13.626 -1.137) 14.765 5.779 ( 5.572 13.626 1.137) 14.765 5.998 ( -1.832 2.184 -2.807) 4.001 5.998 ( -1.832 2.184 2.807) 4.001 7.003 ( -0.417 14.601 -8.865) 17.086 7.003 ( -0.417 14.601 8.865) 17.086 7.054 ( -1.226 3.764 -7.413) 8.404 7.054 ( -1.226 3.764 7.413) 8.404 8.099 ( 4.603 -7.639 -15.316) 17.724 8.099 ( 4.603 -7.639 15.316) 17.724 8.348 ( -4.620 -7.858 -10.407) 13.835 8.348 ( -4.620 -7.858 10.407) 13.835 9.397 ( 2.933 27.114 -1.264) 27.301 9.397 ( 2.933 27.114 1.264) 27.301 9.620 ( -5.807 24.489 -1.490) 25.212 9.620 ( -5.807 24.489 1.490) 25.212 11.439 ( 5.192 18.111 -1.353) 18.889 11.439 ( 5.192 18.111 1.353) 18.889 11.634 ( -2.481 24.683 -3.365) 25.035 11.634 ( -2.481 24.683 3.365) 25.035 17.063 ( 0.332 -42.799 -1.130) 42.815 17.063 ( 0.332 -42.799 1.130) 42.815 17.080 ( -0.296 -42.638 -1.192) 42.656 17.080 ( -0.296 -42.638 1.192) 42.656 19.043 ( 0.660 -18.406 -1.343) 18.467 19.043 ( 0.660 -18.406 1.343) 18.467 19.074 ( -0.503 -17.694 -1.752) 17.788 19.074 ( -0.503 -17.694 1.752) 17.788 20.151 ( 0.619 -11.381 -2.440) 11.656 20.151 ( 0.619 -11.381 2.440) 11.656 20.185 ( -0.657 -11.821 -2.535) 12.108 20.185 ( -0.657 -11.821 2.535) 12.108 20.602 ( 1.544 1.573 -11.329) 11.542 20.602 ( 1.544 1.573 11.329) 11.542 20.706 ( -2.342 -2.020 -8.751) 9.281 20.706 ( -2.342 -2.020 8.751) 9.281 22.366 ( 1.969 44.365 -4.814) 44.669 22.366 ( 1.969 44.365 4.814) 44.669 22.528 ( -4.392 45.402 -2.839) 45.702 22.528 ( -4.392 45.402 2.839) 45.702 30.194 ( 0.905 -57.023 -2.618) 57.090 30.194 ( 0.905 -57.023 2.618) 57.090 30.238 ( -0.787 -56.555 -2.194) 56.603 30.238 ( -0.787 -56.555 2.194) 56.603 35.463 ( 4.556 40.365 -8.113) 41.423 35.463 ( 4.556 40.365 8.113) 41.423 35.800 ( -8.937 47.797 -20.360) 52.716 35.800 ( -8.937 47.797 20.360) 52.716 36.355 ( 1.187 43.881 -4.097) 44.088 36.355 ( 1.187 43.881 4.097) 44.088 36.411 ( -0.927 43.629 -3.648) 43.791 36.411 ( -0.927 43.629 3.648) 43.791 41.858 ( 23.549 -0.454 -8.012) 24.879 41.858 ( 23.549 -0.454 8.012) 24.879 42.784 ( -10.649 -7.022 -10.389) 16.451 42.784 ( -10.649 -7.022 10.389) 16.451 43.108 ( -0.044 -7.134 -8.398) 11.019 43.108 ( -0.044 -7.134 8.398) 11.019 43.190 ( -4.039 -14.319 -27.373) 31.155 43.190 ( -4.039 -14.319 27.373) 31.155 ======================= Grid point 244 (81/90) ======================= q-point: (-0.50 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -8.198 7.503 -6.167) 12.710 2.269 ( 8.028 7.503 -6.142) 12.588 2.269 ( -8.028 7.503 6.142) 12.588 2.269 ( 8.198 7.503 6.167) 12.710 2.786 ( -9.993 4.343 -10.739) 15.299 2.786 ( 7.099 4.343 -10.481) 13.383 2.786 ( -7.099 4.343 10.481) 13.383 2.786 ( 9.993 4.343 10.739) 15.299 3.292 ( -5.399 6.828 -5.399) 10.243 3.292 ( 2.723 6.828 -5.170) 8.987 3.292 ( -2.723 6.828 5.170) 8.987 3.292 ( 5.399 6.828 5.399) 10.243 4.181 ( -2.326 1.160 -7.864) 8.282 4.181 ( 2.323 1.160 -7.864) 8.281 4.181 ( -2.323 1.160 7.864) 8.281 4.181 ( 2.326 1.160 7.864) 8.282 4.617 ( -4.970 0.512 -6.328) 8.062 4.617 ( 4.891 0.512 -6.321) 8.008 4.617 ( -4.891 0.512 6.321) 8.008 4.617 ( 4.970 0.512 6.328) 8.062 5.441 ( -6.281 29.162 -2.559) 29.940 5.441 ( 0.587 29.162 -1.484) 29.205 5.441 ( -0.587 29.162 1.484) 29.205 5.441 ( 6.281 29.162 2.559) 29.940 5.913 ( -4.661 3.999 -2.816) 6.757 5.913 ( -1.507 3.999 -2.401) 4.902 5.913 ( 1.507 3.999 2.402) 4.902 5.913 ( 4.661 3.999 2.816) 6.757 7.018 ( -1.746 9.360 -8.348) 12.663 7.018 ( 1.745 9.360 -8.348) 12.663 7.018 ( -1.745 9.360 8.348) 12.663 7.018 ( 1.746 9.360 8.348) 12.663 8.224 ( -6.688 -8.021 -13.070) 16.730 8.224 ( 6.688 -8.021 -13.070) 16.730 8.224 ( -6.688 -8.021 13.070) 16.730 8.224 ( 6.688 -8.021 13.070) 16.730 9.490 ( -5.523 26.055 -0.662) 26.643 9.490 ( -5.154 26.055 -0.017) 26.560 9.490 ( 5.154 26.055 0.017) 26.560 9.490 ( 5.523 26.055 0.662) 26.643 11.554 ( -4.913 21.619 -2.927) 22.363 11.554 ( 3.367 21.619 -2.673) 22.042 11.554 ( -3.367 21.619 2.673) 22.042 11.554 ( 4.913 21.619 2.927) 22.363 17.072 ( -0.252 -42.697 -2.235) 42.756 17.072 ( 0.210 -42.697 -2.235) 42.756 17.072 ( -0.210 -42.697 2.235) 42.756 17.072 ( 0.252 -42.697 2.235) 42.756 19.060 ( -0.814 -18.052 -1.553) 18.137 19.060 ( 0.813 -18.052 -1.553) 18.137 19.060 ( -0.813 -18.052 1.553) 18.137 19.060 ( 0.814 -18.052 1.553) 18.137 20.168 ( -0.850 -11.494 -2.709) 11.839 20.168 ( 0.818 -11.494 -2.707) 11.837 20.168 ( -0.818 -11.494 2.707) 11.837 20.168 ( 0.850 -11.494 2.709) 11.839 20.649 ( -2.532 -0.064 -11.249) 11.531 20.649 ( 2.450 -0.064 -11.247) 11.511 20.649 ( -2.450 -0.064 11.247) 11.511 20.649 ( 2.532 -0.064 11.249) 11.531 22.431 ( -3.990 45.197 -4.513) 45.597 22.431 ( 3.461 45.197 -4.464) 45.549 22.431 ( -3.461 45.197 4.464) 45.549 22.431 ( 3.990 45.197 4.513) 45.597 30.217 ( -1.109 -56.823 -2.621) 56.895 30.217 ( 1.047 -56.823 -2.618) 56.893 30.217 ( -1.047 -56.823 2.618) 56.893 30.217 ( 1.109 -56.823 2.621) 56.895 35.604 ( -8.574 43.802 -12.948) 46.474 35.604 ( 8.366 43.802 -12.933) 46.432 35.604 ( -8.366 43.802 12.933) 46.432 35.604 ( 8.574 43.802 12.948) 46.474 36.384 ( -1.042 43.719 -5.781) 44.112 36.384 ( 0.904 43.719 -5.778) 44.108 36.384 ( -0.904 43.719 5.778) 44.108 36.384 ( 1.042 43.719 5.781) 44.112 42.402 ( -24.759 -6.037 -16.826) 30.538 42.402 ( 24.053 -6.037 -16.712) 29.904 42.402 ( -24.053 -6.037 16.712) 29.904 42.402 ( 24.759 -6.037 16.826) 30.538 43.126 ( -1.832 -9.436 -14.449) 17.354 43.126 ( 1.821 -9.436 -14.449) 17.353 43.126 ( -1.821 -9.436 14.449) 17.353 43.126 ( 1.832 -9.436 14.449) 17.354 ======================= Grid point 250 (82/90) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.000 2.307 -11.702) 11.927 2.356 ( 0.000 2.307 11.702) 11.927 2.770 ( 0.000 10.634 -10.919) 15.242 2.770 ( 0.000 10.634 10.919) 15.242 2.786 ( 0.000 3.677 -7.346) 8.215 2.786 ( 0.000 3.677 7.346) 8.215 2.871 ( 0.000 5.312 -10.423) 11.699 2.871 ( 0.000 5.312 10.423) 11.699 3.319 ( 0.000 8.249 -3.213) 8.852 3.319 ( 0.000 8.249 3.213) 8.852 3.407 ( 0.000 5.250 -5.356) 7.500 3.407 ( 0.000 5.250 5.356) 7.500 4.042 ( 0.000 -4.530 -7.190) 8.498 4.042 ( 0.000 -4.530 7.190) 8.498 4.049 ( 0.000 -14.762 -3.285) 15.123 4.049 ( 0.000 -14.762 3.285) 15.123 4.620 ( 0.000 -2.140 -2.683) 3.432 4.620 ( 0.000 -2.140 2.683) 3.432 4.659 ( 0.000 12.275 -10.648) 16.250 4.659 ( 0.000 12.275 10.648) 16.250 5.593 ( 0.000 -1.960 -4.246) 4.676 5.593 ( 0.000 -1.960 4.246) 4.676 5.764 ( 0.000 10.529 -0.622) 10.548 5.764 ( 0.000 10.529 0.622) 10.548 6.094 ( 0.000 5.688 -0.985) 5.773 6.094 ( 0.000 5.688 0.985) 5.773 6.347 ( 0.000 17.016 -0.494) 17.023 6.347 ( 0.000 17.016 0.494) 17.023 7.093 ( 0.000 2.481 -7.138) 7.557 7.093 ( 0.000 2.481 7.138) 7.557 7.371 ( 0.000 11.756 -6.648) 13.506 7.371 ( 0.000 11.756 6.648) 13.506 7.896 ( 0.000 -6.934 -14.725) 16.276 7.896 ( 0.000 -6.934 14.725) 16.276 8.207 ( 0.000 -9.987 -11.562) 15.278 8.207 ( 0.000 -9.987 11.562) 15.278 10.332 ( 0.000 62.860 -0.941) 62.868 10.332 ( 0.000 62.860 0.941) 62.868 10.502 ( 0.000 54.273 -1.589) 54.296 10.502 ( 0.000 54.273 1.589) 54.296 11.759 ( 0.000 20.483 -0.650) 20.493 11.759 ( 0.000 20.483 0.650) 20.493 12.242 ( 0.000 28.461 -5.380) 28.965 12.242 ( 0.000 28.461 5.380) 28.965 16.160 ( 0.000 -41.414 -1.980) 41.461 16.160 ( 0.000 -41.414 1.980) 41.461 16.249 ( 0.000 -36.885 -2.813) 36.993 16.249 ( 0.000 -36.885 2.813) 36.993 18.394 ( 0.000 -41.959 -0.782) 41.966 18.394 ( 0.000 -41.959 0.782) 41.966 18.456 ( 0.000 -41.715 -1.199) 41.732 18.456 ( 0.000 -41.715 1.199) 41.732 20.025 ( 0.000 -0.488 -4.951) 4.975 20.025 ( 0.000 -0.488 4.951) 4.975 20.056 ( 0.000 -1.139 -5.463) 5.581 20.056 ( 0.000 -1.139 5.463) 5.581 20.553 ( 0.000 -4.043 -12.524) 13.161 20.553 ( 0.000 -4.043 12.524) 13.161 20.609 ( 0.000 -7.072 -11.204) 13.250 20.609 ( 0.000 -7.072 11.204) 13.250 23.370 ( 0.000 51.996 -4.285) 52.173 23.370 ( 0.000 51.996 4.285) 52.173 23.604 ( 0.000 50.812 -1.077) 50.823 23.604 ( 0.000 50.812 1.077) 50.823 28.988 ( 0.000 -56.524 -2.324) 56.572 28.988 ( 0.000 -56.524 2.324) 56.572 29.059 ( 0.000 -56.489 -1.770) 56.517 29.059 ( 0.000 -56.489 1.770) 56.517 36.256 ( 0.000 39.424 -10.392) 40.771 36.256 ( 0.000 39.424 10.392) 40.771 36.849 ( 0.000 38.740 -29.815) 48.885 36.849 ( 0.000 38.740 29.815) 48.885 37.153 ( 0.000 32.211 -4.771) 32.563 37.153 ( 0.000 32.211 4.771) 32.563 37.233 ( 0.000 32.856 -4.455) 33.157 37.233 ( 0.000 32.856 4.455) 33.157 41.682 ( 0.000 6.737 -1.282) 6.858 41.682 ( 0.000 6.737 1.282) 6.858 42.734 ( 0.000 -7.543 -1.558) 7.702 42.734 ( 0.000 -7.543 1.558) 7.702 42.883 ( 0.000 -16.052 -27.588) 31.919 42.883 ( 0.000 -16.052 27.588) 31.919 42.961 ( 0.000 -8.328 -3.952) 9.219 42.961 ( 0.000 -8.328 3.952) 9.219 ======================= Grid point 252 (83/90) ======================= q-point: ( 0.25 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.229 4.061 -10.162) 10.946 2.351 ( 0.229 4.061 10.162) 10.946 2.574 ( -10.579 2.034 -6.898) 12.793 2.574 ( -10.579 2.034 6.898) 12.793 2.824 ( 3.343 14.085 -2.791) 14.743 2.824 ( 3.343 14.085 2.791) 14.743 2.976 ( 0.979 3.463 -3.253) 4.851 2.976 ( 0.979 3.463 3.253) 4.851 3.293 ( 3.025 7.133 -2.872) 8.264 3.293 ( 3.025 7.133 2.872) 8.264 3.474 ( 1.451 5.613 -2.770) 6.425 3.474 ( 1.451 5.613 2.770) 6.425 4.032 ( 0.468 -9.268 -2.886) 9.718 4.032 ( 0.468 -9.268 2.886) 9.718 4.076 ( 0.868 -9.391 -4.418) 10.415 4.076 ( 0.868 -9.391 4.418) 10.415 4.628 ( 1.433 -0.804 -4.239) 4.547 4.628 ( 1.433 -0.804 4.239) 4.546 4.681 ( 0.965 8.586 -7.443) 11.404 4.681 ( 0.965 8.586 7.443) 11.404 5.626 ( 3.687 0.617 -3.053) 4.827 5.626 ( 3.687 0.617 3.053) 4.827 5.797 ( 1.517 9.097 -0.600) 9.242 5.797 ( 1.517 9.097 0.600) 9.242 6.065 ( -1.616 6.007 -1.561) 6.413 6.065 ( -1.616 6.007 1.561) 6.413 6.260 ( -7.113 14.287 -1.626) 16.043 6.260 ( -7.113 14.287 1.626) 16.043 7.146 ( 4.318 4.941 -6.534) 9.260 7.146 ( 4.318 4.941 6.534) 9.260 7.332 ( -3.441 11.075 -6.369) 13.231 7.332 ( -3.441 11.075 6.369) 13.231 7.940 ( 4.016 -7.383 -14.011) 16.339 7.940 ( 4.016 -7.383 14.011) 16.339 8.159 ( -4.305 -9.694 -11.787) 15.856 8.159 ( -4.305 -9.694 11.787) 15.856 10.344 ( 1.252 61.863 -0.737) 61.880 10.344 ( 1.252 61.863 0.737) 61.880 10.460 ( -3.422 55.849 -0.879) 55.960 10.460 ( -3.422 55.849 0.879) 55.960 11.852 ( 7.980 21.578 -0.983) 23.027 11.852 ( 7.980 21.578 0.983) 23.027 12.189 ( -5.073 27.210 -4.937) 28.116 12.189 ( -5.073 27.210 4.937) 28.116 16.174 ( 1.251 -40.701 -2.116) 40.775 16.174 ( 1.251 -40.701 2.116) 40.775 16.237 ( -1.134 -37.506 -2.708) 37.621 16.237 ( -1.134 -37.506 2.708) 37.621 18.405 ( 0.913 -41.920 -0.838) 41.938 18.405 ( 0.913 -41.920 0.838) 41.938 18.448 ( -0.741 -41.746 -1.131) 41.768 18.448 ( -0.741 -41.746 1.131) 41.768 20.029 ( 0.438 -0.589 -5.013) 5.067 20.029 ( 0.438 -0.589 5.013) 5.067 20.051 ( -0.389 -1.050 -5.372) 5.487 20.051 ( -0.389 -1.050 5.372) 5.487 20.559 ( 0.587 -4.375 -12.378) 13.141 20.559 ( 0.587 -4.375 12.378) 13.141 20.599 ( -0.917 -6.520 -11.444) 13.203 20.599 ( -0.917 -6.520 11.444) 13.203 23.395 ( 2.416 52.064 -3.932) 52.268 23.395 ( 2.416 52.064 3.932) 52.268 23.559 ( -3.859 51.293 -1.357) 51.456 23.559 ( -3.859 51.293 1.357) 51.456 28.999 ( 0.954 -56.540 -2.234) 56.592 28.999 ( 0.954 -56.540 2.234) 56.592 29.049 ( -0.920 -56.514 -1.838) 56.551 29.049 ( -0.920 -56.514 1.838) 56.551 36.320 ( 6.022 39.639 -12.077) 41.873 36.320 ( 6.022 39.639 12.077) 41.873 36.730 ( -10.039 39.340 -25.145) 47.756 36.730 ( -10.039 39.340 25.145) 47.756 37.166 ( 1.162 32.326 -4.796) 32.701 37.166 ( 1.162 32.326 4.796) 32.701 37.223 ( -0.966 32.791 -4.525) 33.116 37.223 ( -0.966 32.791 4.525) 33.116 41.878 ( 16.975 2.755 -5.555) 18.072 41.878 ( 16.975 2.755 5.555) 18.072 42.615 ( -11.363 -8.634 -10.806) 17.900 42.615 ( -11.363 -8.634 10.806) 17.900 42.890 ( 0.974 -12.365 -12.664) 17.726 42.890 ( 0.974 -12.365 12.664) 17.726 42.951 ( -1.044 -8.994 -3.715) 9.787 42.951 ( -1.044 -8.994 3.715) 9.787 ======================= Grid point 254 (84/90) ======================= q-point: (-0.50 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -5.319 4.558 -7.687) 10.400 2.402 ( 5.319 4.558 -7.687) 10.400 2.402 ( -5.319 4.558 7.687) 10.400 2.402 ( 5.319 4.558 7.687) 10.400 2.913 ( -2.598 8.371 -7.079) 11.267 2.913 ( 0.820 8.371 -7.032) 10.963 2.913 ( -0.820 8.371 7.032) 10.963 2.913 ( 2.598 8.371 7.079) 11.267 3.418 ( -5.057 5.651 -5.203) 9.197 3.418 ( 2.447 5.651 -4.990) 7.926 3.418 ( -2.447 5.651 4.990) 7.926 3.418 ( 5.057 5.651 5.203) 9.197 4.063 ( -1.812 -8.966 -2.574) 9.503 4.063 ( 1.797 -8.966 -2.573) 9.500 4.063 ( -1.797 -8.966 2.573) 9.500 4.063 ( 1.812 -8.966 2.574) 9.503 4.671 ( -1.518 2.686 -6.606) 7.291 4.671 ( 1.375 2.686 -6.602) 7.259 4.671 ( -1.375 2.686 6.602) 7.259 4.671 ( 1.518 2.686 6.606) 7.291 5.742 ( -6.083 5.010 -2.182) 8.177 5.742 ( 0.108 5.010 -0.807) 5.076 5.742 ( -0.108 5.010 0.807) 5.076 5.742 ( 6.083 5.010 2.182) 8.177 6.110 ( -5.950 9.611 -2.700) 11.622 6.110 ( 3.889 9.611 -2.244) 10.608 6.110 ( -3.889 9.611 2.244) 10.608 6.110 ( 5.950 9.611 2.700) 11.622 7.244 ( -4.680 8.774 -6.204) 11.721 7.244 ( 4.599 8.774 -6.197) 11.685 7.244 ( -4.599 8.774 6.197) 11.685 7.244 ( 4.680 8.774 6.204) 11.721 8.047 ( -5.809 -8.648 -12.709) 16.433 8.047 ( 5.807 -8.648 -12.708) 16.432 8.047 ( -5.807 -8.648 12.708) 16.432 8.047 ( 5.809 -8.648 12.709) 16.433 10.388 ( -2.967 59.146 -0.270) 59.221 10.388 ( -2.967 59.146 0.270) 59.221 10.388 ( 2.967 59.146 -0.270) 59.221 10.388 ( 2.967 59.146 0.270) 59.221 12.039 ( -8.827 24.305 -3.436) 26.086 12.039 ( 8.395 24.305 -3.314) 25.927 12.039 ( -8.395 24.305 3.314) 25.927 12.039 ( 8.827 24.305 3.436) 26.086 16.206 ( -1.565 -39.058 -2.696) 39.182 16.206 ( 1.421 -39.058 -2.687) 39.176 16.206 ( -1.421 -39.058 2.687) 39.176 16.206 ( 1.565 -39.058 2.696) 39.182 18.428 ( -0.919 -41.829 -1.429) 41.864 18.428 ( 0.563 -41.829 -1.409) 41.857 18.428 ( -0.563 -41.829 1.409) 41.857 18.428 ( 0.919 -41.829 1.429) 41.864 20.041 ( -0.541 -0.825 -5.591) 5.677 20.041 ( 0.536 -0.825 -5.591) 5.677 20.041 ( -0.536 -0.825 5.591) 5.677 20.041 ( 0.541 -0.825 5.591) 5.677 20.576 ( -1.009 -5.336 -12.709) 13.821 20.576 ( 1.002 -5.336 -12.709) 13.820 20.576 ( -1.002 -5.336 12.709) 13.820 20.576 ( 1.009 -5.336 12.709) 13.821 23.468 ( -4.267 51.948 -2.918) 52.204 23.468 ( 3.647 51.948 -2.823) 52.152 23.468 ( -3.647 51.948 2.823) 52.152 23.468 ( 4.267 51.948 2.918) 52.204 29.024 ( -1.230 -56.547 -2.239) 56.605 29.024 ( 1.127 -56.547 -2.233) 56.602 29.024 ( -1.127 -56.547 2.233) 56.602 29.024 ( 1.230 -56.547 2.239) 56.605 36.499 ( -10.640 39.863 -17.505) 44.819 36.499 ( 10.525 39.863 -17.497) 44.789 36.499 ( -10.525 39.863 17.497) 44.789 36.499 ( 10.640 39.863 17.505) 44.819 37.196 ( -0.986 32.572 -7.804) 33.508 37.196 ( 0.855 32.572 -7.802) 33.504 37.196 ( -0.855 32.572 7.802) 33.504 37.196 ( 0.986 32.572 7.804) 33.508 42.283 ( -19.349 -4.591 -12.670) 23.580 42.283 ( 18.696 -4.591 -12.560) 22.987 42.283 ( -18.696 -4.591 12.560) 22.987 42.283 ( 19.349 -4.591 12.670) 23.580 42.920 ( -1.010 -10.004 -8.959) 13.467 42.920 ( 0.859 -10.004 -8.958) 13.456 42.920 ( -0.859 -10.004 8.958) 13.456 42.920 ( 1.010 -10.004 8.959) 13.467 ======================= Grid point 260 (85/90) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 0.000 3.563 -9.808) 10.435 2.418 ( 0.000 3.563 9.808) 10.435 2.707 ( 0.000 -5.264 -10.233) 11.508 2.707 ( 0.000 -5.264 10.233) 11.508 2.884 ( 0.000 5.943 -6.219) 8.602 2.884 ( 0.000 5.943 6.219) 8.602 3.161 ( 0.000 10.006 -1.861) 10.177 3.161 ( 0.000 10.006 1.861) 10.177 3.470 ( 0.000 6.450 -0.580) 6.476 3.470 ( 0.000 6.450 0.580) 6.476 3.571 ( 0.000 7.899 -2.671) 8.338 3.571 ( 0.000 7.899 2.671) 8.338 3.785 ( 0.000 -8.528 -3.549) 9.237 3.785 ( 0.000 -8.528 3.549) 9.237 3.951 ( 0.000 -4.104 -5.530) 6.886 3.951 ( 0.000 -4.104 5.530) 6.886 4.600 ( 0.000 1.165 -2.990) 3.209 4.600 ( 0.000 1.165 2.990) 3.209 4.828 ( 0.000 3.849 -6.422) 7.487 4.828 ( 0.000 3.849 6.422) 7.487 5.577 ( 0.000 0.980 -3.782) 3.907 5.577 ( 0.000 0.980 3.782) 3.907 5.861 ( 0.000 -0.318 -0.923) 0.976 5.861 ( 0.000 -0.318 0.923) 0.976 6.231 ( 0.000 6.909 -3.014) 7.538 6.231 ( 0.000 6.909 3.014) 7.538 6.500 ( 0.000 0.618 -3.333) 3.390 6.500 ( 0.000 0.618 3.333) 3.390 7.162 ( 0.000 3.993 -8.166) 9.089 7.162 ( 0.000 3.993 8.166) 9.089 7.455 ( 0.000 -2.099 -5.003) 5.426 7.455 ( 0.000 -2.099 5.003) 5.426 7.775 ( 0.000 -4.123 -12.888) 13.531 7.775 ( 0.000 -4.123 12.888) 13.531 8.003 ( 0.000 -9.324 -12.019) 15.211 8.003 ( 0.000 -9.324 12.019) 15.211 11.767 ( 0.000 65.592 -0.635) 65.595 11.767 ( 0.000 65.592 0.635) 65.595 11.827 ( 0.000 69.012 -1.515) 69.028 11.827 ( 0.000 69.012 1.515) 69.028 12.227 ( 0.000 23.730 -1.666) 23.788 12.227 ( 0.000 23.730 1.666) 23.788 12.810 ( 0.000 25.001 -5.408) 25.580 12.810 ( 0.000 25.001 5.408) 25.580 15.401 ( 0.000 -28.291 -1.938) 28.357 15.401 ( 0.000 -28.291 1.938) 28.357 15.583 ( 0.000 -24.893 -2.290) 24.998 15.583 ( 0.000 -24.893 2.290) 24.998 17.354 ( 0.000 -55.757 -0.264) 55.757 17.354 ( 0.000 -55.757 0.264) 55.757 17.401 ( 0.000 -57.345 -0.555) 57.348 17.401 ( 0.000 -57.345 0.555) 57.348 20.076 ( 0.000 4.483 -7.414) 8.664 20.076 ( 0.000 4.483 7.414) 8.664 20.099 ( 0.000 4.298 -7.997) 9.078 20.099 ( 0.000 4.298 7.997) 9.078 20.447 ( 0.000 -5.759 -11.930) 13.247 20.447 ( 0.000 -5.759 11.930) 13.247 20.465 ( 0.000 -6.573 -11.611) 13.342 20.465 ( 0.000 -6.573 11.611) 13.342 24.477 ( 0.000 53.459 -3.177) 53.554 24.477 ( 0.000 53.459 3.177) 53.554 24.669 ( 0.000 50.808 -0.457) 50.810 24.669 ( 0.000 50.808 0.457) 50.810 27.831 ( 0.000 -54.250 -1.812) 54.280 27.831 ( 0.000 -54.250 1.812) 54.280 27.900 ( 0.000 -54.204 -1.321) 54.220 27.900 ( 0.000 -54.204 1.321) 54.220 37.006 ( 0.000 31.294 -11.552) 33.358 37.006 ( 0.000 31.294 11.552) 33.358 37.506 ( 0.000 24.261 -26.260) 35.752 37.506 ( 0.000 24.261 26.260) 35.752 37.650 ( 0.000 14.869 -7.065) 16.462 37.650 ( 0.000 14.869 7.065) 16.462 37.762 ( 0.000 17.407 -8.626) 19.427 37.762 ( 0.000 17.407 8.626) 19.427 41.867 ( 0.000 10.786 -0.730) 10.811 41.867 ( 0.000 10.786 0.730) 10.811 42.565 ( 0.000 -8.659 -3.137) 9.210 42.565 ( 0.000 -8.659 3.137) 9.210 42.617 ( 0.000 -8.729 -18.995) 20.905 42.617 ( 0.000 -8.729 18.995) 20.905 42.774 ( 0.000 -9.175 -3.394) 9.782 42.774 ( 0.000 -9.175 3.394) 9.782 ======================= Grid point 262 (86/90) ======================= q-point: ( 0.25 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 0.441 2.868 -8.695) 9.167 2.418 ( 0.441 2.868 8.695) 9.167 2.581 ( -7.510 -1.186 -6.666) 10.111 2.581 ( -7.510 -1.186 6.666) 10.111 2.996 ( 6.295 5.680 -2.933) 8.972 2.996 ( 6.295 5.680 2.933) 8.972 3.166 ( -0.728 9.387 -2.753) 9.809 3.166 ( -0.728 9.387 2.753) 9.809 3.447 ( 0.918 7.064 -2.642) 7.598 3.447 ( 0.918 7.064 2.642) 7.598 3.595 ( -0.433 4.542 -2.184) 5.058 3.595 ( -0.433 4.542 2.184) 5.058 3.815 ( 3.055 -7.362 -1.482) 8.107 3.815 ( 3.055 -7.362 1.482) 8.107 3.948 ( -0.952 -4.518 -3.182) 5.607 3.948 ( -0.952 -4.518 3.182) 5.607 4.613 ( 2.140 0.437 -3.770) 4.357 4.613 ( 2.140 0.437 3.770) 4.357 4.801 ( -3.103 2.520 -4.952) 6.364 4.801 ( -3.103 2.520 4.952) 6.364 5.650 ( 7.034 2.387 -2.299) 7.776 5.650 ( 7.034 2.387 2.299) 7.776 5.902 ( 2.318 1.533 -1.194) 3.025 5.902 ( 2.318 1.533 1.194) 3.025 6.184 ( -3.100 5.253 -3.276) 6.924 6.184 ( -3.100 5.253 3.276) 6.924 6.400 ( -8.357 1.370 -3.701) 9.242 6.400 ( -8.357 1.369 3.701) 9.242 7.222 ( 5.067 2.661 -6.914) 8.975 7.222 ( 5.067 2.661 6.914) 8.975 7.425 ( -2.825 -0.583 -4.998) 5.771 7.425 ( -2.825 -0.583 4.999) 5.771 7.802 ( 2.439 -5.418 -12.334) 13.691 7.802 ( 2.439 -5.418 12.334) 13.691 7.960 ( -3.708 -9.048 -11.567) 15.146 7.960 ( -3.708 -9.048 11.567) 15.146 11.762 ( -0.079 65.617 -0.438) 65.619 11.762 ( -0.079 65.617 0.438) 65.619 11.807 ( -1.589 68.172 -1.234) 68.202 11.807 ( -1.589 68.173 1.234) 68.202 12.336 ( 9.228 24.631 -0.932) 26.320 12.336 ( 9.228 24.631 0.932) 26.320 12.740 ( -6.513 24.925 -4.634) 26.175 12.740 ( -6.513 24.925 4.634) 26.175 15.430 ( 2.600 -27.725 -1.944) 27.914 15.430 ( 2.600 -27.725 1.944) 27.914 15.559 ( -2.264 -25.337 -2.208) 25.533 15.559 ( -2.264 -25.337 2.208) 25.533 17.362 ( 0.709 -55.993 -0.293) 55.998 17.362 ( 0.709 -55.993 0.293) 55.998 17.395 ( -0.543 -57.120 -0.499) 57.124 17.395 ( -0.543 -57.120 0.499) 57.124 20.079 ( 0.325 4.450 -7.497) 8.724 20.079 ( 0.325 4.450 7.497) 8.724 20.096 ( -0.300 4.320 -7.908) 9.016 20.096 ( -0.300 4.320 7.908) 9.016 20.449 ( 0.196 -5.834 -11.895) 13.250 20.449 ( 0.196 -5.834 11.895) 13.250 20.462 ( -0.295 -6.411 -11.669) 13.318 20.462 ( -0.295 -6.411 11.669) 13.318 24.500 ( 2.168 53.212 -2.822) 53.331 24.500 ( 2.168 53.212 2.822) 53.331 24.636 ( -2.949 51.352 -0.683) 51.441 24.636 ( -2.949 51.352 0.683) 51.441 27.841 ( 0.909 -54.257 -1.732) 54.292 27.841 ( 0.909 -54.257 1.732) 54.292 27.890 ( -0.929 -54.224 -1.385) 54.250 27.890 ( -0.929 -54.224 1.385) 54.250 37.063 ( 5.419 30.603 -12.977) 33.680 37.063 ( 5.419 30.603 12.977) 33.680 37.411 ( -8.072 25.514 -22.538) 34.987 37.411 ( -8.072 25.514 22.538) 34.987 37.671 ( 1.689 15.609 -6.568) 17.018 37.671 ( 1.689 15.609 6.568) 17.018 37.748 ( -1.285 17.117 -8.189) 19.019 37.748 ( -1.285 17.117 8.189) 19.019 41.983 ( 10.210 7.297 -3.019) 12.908 41.983 ( 10.210 7.297 3.019) 12.908 42.458 ( -8.434 -5.665 -8.128) 13.011 42.458 ( -8.434 -5.665 8.128) 13.011 42.661 ( 2.558 -9.554 -6.586) 11.882 42.661 ( 2.558 -9.554 6.586) 11.882 42.758 ( -1.513 -9.262 -3.377) 9.974 42.758 ( -1.513 -9.262 3.377) 9.974 ======================= Grid point 264 (87/90) ======================= q-point: (-0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -3.802 1.292 -6.913) 7.994 2.459 ( 3.758 1.292 -6.910) 7.971 2.459 ( -3.758 1.292 6.910) 7.971 2.459 ( 3.802 1.292 6.913) 7.994 3.106 ( -4.396 8.790 -3.107) 10.307 3.106 ( 4.350 8.790 -3.100) 10.286 3.106 ( -4.350 8.790 3.100) 10.286 3.106 ( 4.396 8.790 3.107) 10.307 3.528 ( -4.099 4.204 -6.367) 8.661 3.528 ( 2.643 4.204 -6.281) 8.007 3.528 ( -2.643 4.204 6.281) 8.007 3.528 ( 4.099 4.204 6.367) 8.661 3.895 ( -3.843 -5.788 -0.522) 6.967 3.895 ( -3.830 -5.788 0.512) 6.959 3.895 ( 3.830 -5.788 -0.512) 6.959 3.895 ( 3.843 -5.788 0.522) 6.967 4.702 ( -4.945 0.436 -5.689) 7.550 4.702 ( 3.438 0.436 -5.564) 6.555 4.702 ( -3.438 0.436 5.564) 6.555 4.702 ( 4.945 0.436 5.689) 7.550 5.836 ( -8.589 4.613 -1.661) 9.890 5.836 ( -7.445 4.613 0.849) 8.799 5.836 ( 7.445 4.613 -0.849) 8.799 5.836 ( 8.589 4.613 1.661) 9.890 6.220 ( -7.082 1.643 -3.888) 8.244 6.220 ( 6.778 1.643 -3.827) 7.956 6.220 ( -6.778 1.643 3.827) 7.956 6.220 ( 7.082 1.643 3.888) 8.244 7.338 ( -5.333 1.302 -5.488) 7.762 7.338 ( 5.288 1.302 -5.483) 7.728 7.338 ( -5.288 1.302 5.483) 7.728 7.338 ( 5.333 1.302 5.488) 7.762 7.872 ( -4.149 -7.710 -11.530) 14.478 7.872 ( 4.147 -7.710 -11.530) 14.477 7.872 ( -4.147 -7.710 11.530) 14.477 7.872 ( 4.149 -7.710 11.530) 14.478 11.775 ( -1.203 66.800 -0.789) 66.816 11.775 ( 0.937 66.800 -0.748) 66.811 11.775 ( -0.937 66.800 0.748) 66.811 11.775 ( 1.203 66.800 0.789) 66.816 12.555 ( -10.542 24.877 -2.628) 27.146 12.555 ( -8.878 24.877 1.820) 26.476 12.555 ( 8.878 24.877 -1.820) 26.476 12.555 ( 10.542 24.877 2.628) 27.146 15.497 ( -3.274 -26.470 -2.227) 26.765 15.497 ( 2.351 -26.470 -2.093) 26.657 15.497 ( -2.351 -26.470 2.093) 26.657 15.497 ( 3.274 -26.470 2.227) 26.765 17.380 ( -0.401 -56.562 -1.350) 56.579 17.380 ( 0.059 -56.562 -1.344) 56.578 17.380 ( -0.059 -56.562 1.344) 56.578 17.380 ( 0.401 -56.562 1.350) 56.579 20.088 ( -0.433 4.379 -7.833) 8.984 20.088 ( 0.432 4.379 -7.833) 8.984 20.088 ( -0.432 4.379 7.833) 8.984 20.088 ( 0.433 4.379 7.833) 8.984 20.455 ( -0.336 -6.078 -12.307) 13.731 20.455 ( 0.335 -6.078 -12.307) 13.731 20.455 ( -0.335 -6.078 12.307) 13.731 20.455 ( 0.336 -6.078 12.307) 13.731 24.563 ( -3.591 52.430 -1.832) 52.584 24.563 ( 3.437 52.430 -1.799) 52.573 24.563 ( -3.437 52.430 1.799) 52.573 24.563 ( 3.591 52.430 1.832) 52.584 27.865 ( -1.282 -54.254 -1.577) 54.292 27.865 ( 1.252 -54.254 -1.575) 54.291 27.865 ( -1.252 -54.254 1.575) 54.291 27.865 ( 1.282 -54.254 1.577) 54.292 37.220 ( -9.050 28.477 -17.251) 34.502 37.220 ( 8.977 28.477 -17.246) 34.481 37.220 ( -8.977 28.477 17.246) 34.481 37.220 ( 9.050 28.477 17.251) 34.502 37.712 ( -1.581 16.424 -9.734) 19.157 37.712 ( 1.453 16.424 -9.732) 19.146 37.712 ( -1.453 16.424 9.732) 19.146 37.712 ( 1.581 16.424 9.734) 19.157 42.234 ( -12.424 0.226 -7.634) 14.584 42.234 ( 12.359 0.226 -7.622) 14.522 42.234 ( -12.359 0.226 7.622) 14.522 42.234 ( 12.424 0.226 7.634) 14.584 42.715 ( -1.902 -9.492 -5.163) 10.972 42.715 ( 1.488 -9.492 -5.148) 10.900 42.715 ( -1.488 -9.492 5.148) 10.900 42.715 ( 1.902 -9.492 5.163) 10.972 ======================= Grid point 270 (88/90) ======================= q-point: ( 0.00 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 0.000 4.386 -5.609) 7.120 2.502 ( 0.000 4.386 5.609) 7.120 2.600 ( 0.000 -4.952 -3.921) 6.316 2.600 ( 0.000 -4.952 3.921) 6.316 3.036 ( 0.000 8.301 -3.799) 9.129 3.036 ( 0.000 8.301 3.799) 9.129 3.199 ( 0.000 -5.560 -1.284) 5.707 3.199 ( 0.000 -5.560 1.284) 5.707 3.584 ( 0.000 4.000 -0.750) 4.070 3.584 ( 0.000 4.000 0.750) 4.070 3.623 ( 0.000 -0.126 -5.581) 5.582 3.623 ( 0.000 -0.126 5.581) 5.582 3.782 ( 0.000 4.152 -4.429) 6.071 3.782 ( 0.000 4.152 4.429) 6.071 3.867 ( 0.000 -4.019 -5.343) 6.686 3.867 ( 0.000 -4.019 5.343) 6.686 4.690 ( 0.000 6.830 -3.718) 7.776 4.690 ( 0.000 6.830 3.718) 7.776 4.821 ( 0.000 -4.197 -4.457) 6.123 4.821 ( 0.000 -4.197 4.457) 6.123 5.645 ( 0.000 5.461 -1.708) 5.722 5.645 ( 0.000 5.461 1.708) 5.722 5.780 ( 0.000 -6.368 -0.442) 6.383 5.780 ( 0.000 -6.368 0.442) 6.383 6.366 ( 0.000 5.659 -4.916) 7.496 6.366 ( 0.000 5.659 4.916) 7.496 6.461 ( 0.000 -3.432 -5.346) 6.353 6.461 ( 0.000 -3.432 5.346) 6.353 7.255 ( 0.000 4.844 -8.040) 9.387 7.255 ( 0.000 4.844 8.040) 9.387 7.363 ( 0.000 -5.377 -6.091) 8.125 7.363 ( 0.000 -5.377 6.091) 8.125 7.742 ( 0.000 1.259 -11.221) 11.291 7.742 ( 0.000 1.259 11.221) 11.291 7.829 ( 0.000 -6.765 -11.125) 13.021 7.829 ( 0.000 -6.765 11.125) 13.021 12.699 ( 0.000 18.739 -2.270) 18.876 12.699 ( 0.000 18.739 2.270) 18.876 12.760 ( 0.000 21.672 -1.870) 21.753 12.760 ( 0.000 21.672 1.870) 21.753 13.047 ( 0.000 36.853 -1.472) 36.883 13.047 ( 0.000 36.853 1.472) 36.883 13.229 ( 0.000 12.151 -3.875) 12.754 13.229 ( 0.000 12.151 3.875) 12.754 15.220 ( 0.000 18.779 -1.335) 18.827 15.220 ( 0.000 18.779 1.335) 18.827 15.385 ( 0.000 12.897 -1.615) 12.998 15.385 ( 0.000 12.897 1.615) 12.998 16.134 ( 0.000 -58.490 -1.229) 58.503 16.134 ( 0.000 -58.490 1.229) 58.503 16.177 ( 0.000 -54.942 -1.046) 54.952 16.177 ( 0.000 -54.942 1.046) 54.952 20.189 ( 0.000 6.039 -9.431) 11.199 20.189 ( 0.000 6.039 9.431) 11.199 20.208 ( 0.000 5.776 -9.857) 11.425 20.208 ( 0.000 5.776 9.857) 11.425 20.319 ( 0.000 -6.283 -11.040) 12.703 20.319 ( 0.000 -6.283 11.040) 12.703 20.333 ( 0.000 -6.119 -11.188) 12.752 20.333 ( 0.000 -6.119 11.188) 12.752 25.595 ( 0.000 53.379 -2.056) 53.419 25.595 ( 0.000 53.379 2.057) 53.419 25.727 ( 0.000 50.576 -0.041) 50.576 25.727 ( 0.000 50.576 0.041) 50.576 26.710 ( 0.000 -53.315 -1.430) 53.334 26.710 ( 0.000 -53.315 1.430) 53.334 26.794 ( 0.000 -51.723 -0.592) 51.726 26.794 ( 0.000 -51.723 0.592) 51.726 37.535 ( 0.000 18.801 -11.001) 21.783 37.535 ( 0.000 18.801 11.001) 21.783 37.770 ( 0.000 -3.166 -9.559) 10.069 37.770 ( 0.000 -3.166 9.559) 10.069 37.872 ( 0.000 10.955 -20.343) 23.105 37.872 ( 0.000 10.955 20.343) 23.105 37.965 ( 0.000 2.325 -14.424) 14.610 37.965 ( 0.000 2.325 14.424) 14.610 42.116 ( 0.000 12.450 -0.965) 12.488 42.116 ( 0.000 12.450 0.965) 12.488 42.364 ( 0.000 -10.836 -2.950) 11.230 42.364 ( 0.000 -10.836 2.950) 11.230 42.527 ( 0.000 0.007 -11.594) 11.594 42.527 ( 0.000 0.007 11.594) 11.594 42.601 ( 0.000 -6.579 -5.814) 8.780 42.601 ( 0.000 -6.579 5.814) 8.780 ======================= Grid point 272 (89/90) ======================= q-point: ( 0.25 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -1.550 2.719 -4.760) 5.696 2.477 ( -1.550 2.719 4.760) 5.696 2.539 ( -4.278 -2.473 -2.968) 5.765 2.539 ( -4.278 -2.473 2.968) 5.765 3.126 ( 6.725 6.599 -2.627) 9.782 3.126 ( 6.725 6.599 2.627) 9.782 3.240 ( 2.696 -2.569 -2.018) 4.236 3.240 ( 2.696 -2.569 2.018) 4.236 3.549 ( -1.527 2.692 -0.678) 3.168 3.549 ( -1.527 2.692 0.678) 3.168 3.609 ( -1.928 -0.931 -3.828) 4.386 3.609 ( -1.928 -0.931 3.828) 4.386 3.805 ( 1.874 3.395 -3.576) 5.275 3.805 ( 1.874 3.395 3.576) 5.275 3.876 ( 0.082 -2.719 -4.646) 5.384 3.876 ( 0.082 -2.719 4.646) 5.384 4.656 ( -0.820 2.890 -4.258) 5.211 4.656 ( -0.820 2.890 4.258) 5.211 4.804 ( -3.146 -1.440 -4.689) 5.827 4.804 ( -3.146 -1.440 4.689) 5.827 5.722 ( 8.142 3.782 -1.716) 9.140 5.722 ( 8.142 3.782 1.716) 9.140 5.874 ( 6.815 -3.186 -0.901) 7.577 5.874 ( 6.815 -3.186 0.901) 7.577 6.286 ( -6.341 4.218 -5.278) 9.266 6.286 ( -6.341 4.218 5.278) 9.266 6.381 ( -7.768 -2.343 -4.813) 9.434 6.381 ( -7.768 -2.343 4.813) 9.434 7.274 ( 2.483 2.255 -7.156) 7.903 7.274 ( 2.483 2.255 7.156) 7.903 7.377 ( 0.270 -2.711 -5.775) 6.386 7.377 ( 0.270 -2.711 5.775) 6.386 7.737 ( -0.194 -0.248 -11.092) 11.097 7.737 ( -0.194 -0.248 11.092) 11.097 7.798 ( -2.552 -5.838 -10.830) 12.565 7.798 ( -2.552 -5.838 10.830) 12.565 12.730 ( 2.566 20.073 -0.706) 20.249 12.730 ( 2.566 20.073 0.706) 20.249 12.780 ( 1.322 20.623 -1.659) 20.732 12.780 ( 1.322 20.623 1.659) 20.732 13.051 ( 0.878 33.996 -1.436) 34.037 13.051 ( 0.878 33.996 1.436) 34.037 13.192 ( -3.410 15.126 -2.835) 15.763 13.192 ( -3.410 15.126 2.835) 15.763 15.244 ( 2.182 17.573 -1.225) 17.750 15.244 ( 2.182 17.573 1.225) 17.750 15.361 ( -2.215 13.399 -1.467) 13.660 15.361 ( -2.215 13.399 1.467) 13.660 16.142 ( 0.696 -57.836 -1.212) 57.853 16.142 ( 0.696 -57.836 1.212) 57.853 16.172 ( -0.457 -55.330 -1.084) 55.343 16.172 ( -0.457 -55.330 1.084) 55.343 20.192 ( 0.259 5.993 -9.493) 11.230 20.192 ( 0.259 5.993 9.493) 11.230 20.206 ( -0.251 5.807 -9.794) 11.389 20.206 ( -0.251 5.807 9.794) 11.389 20.321 ( 0.176 -6.241 -11.066) 12.706 20.321 ( 0.176 -6.241 11.066) 12.706 20.331 ( -0.188 -6.127 -11.170) 12.741 20.331 ( -0.188 -6.127 11.170) 12.741 25.611 ( 1.500 52.944 -1.789) 52.996 25.611 ( 1.500 52.944 1.789) 52.996 25.704 ( -2.036 50.938 -0.313) 50.980 25.704 ( -2.036 50.938 0.313) 50.980 26.722 ( 1.123 -52.996 -1.295) 53.024 26.722 ( 1.123 -52.996 1.295) 53.024 26.781 ( -1.124 -51.892 -0.680) 51.908 26.781 ( -1.124 -51.892 0.680) 51.908 37.572 ( 3.460 17.506 -11.557) 21.261 37.572 ( 3.460 17.506 11.557) 21.261 37.762 ( -2.198 3.518 -0.831) 4.230 37.762 ( -2.198 3.518 0.831) 4.230 37.850 ( -0.311 6.357 -7.756) 10.033 37.850 ( -0.311 6.357 7.756) 10.033 37.943 ( -2.074 1.922 -13.038) 13.341 37.943 ( -2.074 1.922 13.038) 13.341 42.169 ( 4.697 9.820 -0.559) 10.900 42.169 ( 4.697 9.820 0.559) 10.900 42.358 ( -1.378 -6.292 -1.056) 6.527 42.358 ( -1.378 -6.292 1.056) 6.527 42.515 ( -0.319 -2.422 -9.051) 9.375 42.515 ( -0.319 -2.422 9.051) 9.375 42.584 ( -1.646 -6.538 -5.561) 8.739 42.584 ( -1.646 -6.538 5.561) 8.739 ======================= Grid point 274 (90/90) ======================= q-point: (-0.50 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -1.477 0.215 -3.441) 3.751 2.472 ( 1.431 0.215 -3.439) 3.731 2.472 ( -1.431 0.215 3.439) 3.731 2.472 ( 1.477 0.215 3.441) 3.751 3.243 ( -2.716 3.755 -2.660) 5.344 3.243 ( 1.210 3.755 -2.534) 4.689 3.243 ( -1.210 3.755 2.534) 4.689 3.243 ( 2.716 3.755 2.660) 5.344 3.558 ( -1.724 -0.734 -3.126) 3.645 3.558 ( 1.102 -0.734 -3.095) 3.366 3.558 ( -1.102 -0.734 3.095) 3.366 3.558 ( 1.724 -0.734 3.126) 3.645 3.850 ( -2.115 0.450 -3.666) 4.256 3.850 ( 1.954 0.450 -3.656) 4.170 3.850 ( -1.954 0.450 3.656) 4.170 3.850 ( 2.115 0.450 3.666) 4.256 4.704 ( -4.785 0.008 -5.085) 6.982 4.704 ( 4.477 0.008 -5.054) 6.752 4.704 ( -4.477 0.008 5.054) 6.752 4.704 ( 4.785 0.008 5.085) 6.982 5.922 ( -6.568 2.838 -2.630) 7.623 5.922 ( 5.012 2.838 -2.217) 6.172 5.922 ( -5.012 2.838 2.217) 6.172 5.922 ( 6.568 2.838 2.630) 7.623 6.215 ( -4.053 -1.067 -5.430) 6.860 6.215 ( 4.048 -1.067 -5.430) 6.856 6.215 ( -4.048 -1.067 5.430) 6.856 6.215 ( 4.053 -1.067 5.430) 6.860 7.345 ( -3.203 -0.024 -6.181) 6.962 7.345 ( 3.130 -0.024 -6.177) 6.925 7.345 ( -3.130 -0.024 6.177) 6.925 7.345 ( 3.203 -0.024 6.181) 6.962 7.749 ( -1.605 -3.397 -10.830) 11.463 7.749 ( 1.604 -3.397 -10.830) 11.463 7.749 ( -1.604 -3.397 10.830) 11.463 7.749 ( 1.605 -3.397 10.830) 11.463 12.780 ( -1.564 21.246 -1.916) 21.389 12.780 ( 1.490 21.246 -1.909) 21.383 12.780 ( -1.490 21.246 1.909) 21.383 12.780 ( 1.564 21.246 1.916) 21.389 13.105 ( -4.139 23.865 -1.249) 24.253 13.105 ( -2.758 23.865 0.709) 24.034 13.105 ( 2.758 23.865 -0.709) 24.034 13.105 ( 4.139 23.865 1.250) 24.253 15.302 ( -3.012 15.140 -1.300) 15.491 15.302 ( 1.010 15.140 -0.892) 15.200 15.302 ( -1.010 15.140 0.892) 15.200 15.302 ( 3.012 15.140 1.300) 15.491 16.159 ( -0.805 -56.456 -1.163) 56.474 16.159 ( 0.801 -56.456 -1.163) 56.474 16.159 ( -0.801 -56.456 1.163) 56.474 16.159 ( 0.805 -56.456 1.163) 56.474 20.199 ( -0.360 5.893 -9.647) 11.310 20.199 ( 0.360 5.893 -9.647) 11.310 20.199 ( -0.360 5.893 9.647) 11.310 20.199 ( 0.360 5.893 9.647) 11.310 20.326 ( -0.258 -6.167 -11.168) 12.760 20.326 ( 0.258 -6.167 -11.168) 12.760 20.326 ( -0.258 -6.167 11.168) 12.760 20.326 ( 0.258 -6.167 11.168) 12.760 25.654 ( -2.465 51.908 -1.112) 51.978 25.654 ( 1.850 51.908 -0.970) 51.950 25.654 ( -1.850 51.908 0.970) 51.950 25.654 ( 2.465 51.908 1.112) 51.978 26.752 ( -1.544 -52.373 -1.016) 52.405 26.752 ( 1.281 -52.373 -0.975) 52.398 26.752 ( -1.281 -52.373 0.975) 52.398 26.752 ( 1.544 -52.373 1.016) 52.405 37.669 ( -5.271 13.640 -12.407) 19.177 37.669 ( 5.185 13.640 -12.403) 19.151 37.669 ( -5.185 13.640 12.403) 19.151 37.669 ( 5.271 13.640 12.407) 19.177 37.887 ( -2.596 1.200 -9.741) 10.152 37.887 ( 2.478 1.200 -9.737) 10.119 37.887 ( -2.478 1.200 9.737) 10.119 37.887 ( 2.596 1.200 9.741) 10.152 42.283 ( -4.813 3.332 -2.844) 6.508 42.283 ( 1.133 3.332 -2.378) 4.248 42.283 ( -1.133 3.332 2.378) 4.248 42.283 ( 4.813 3.332 2.844) 6.508 42.539 ( -2.167 -6.280 -5.793) 8.814 42.539 ( 2.095 -6.280 -5.790) 8.795 42.539 ( -2.095 -6.280 5.790) 8.795 42.539 ( 2.167 -6.280 5.793) 8.814 =================== 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 3/29568 10.0 579.896 747.630 900.465 0.000 0.000 0.000 3/29568 20.0 167.019 161.250 126.663 0.000 0.000 0.000 3/29568 30.0 71.630 73.502 47.549 0.000 0.000 0.000 3/29568 40.0 39.631 43.556 25.695 0.000 0.000 0.000 3/29568 50.0 25.793 29.840 16.723 0.000 0.000 0.000 3/29568 60.0 18.638 22.443 12.152 0.000 0.000 0.000 3/29568 70.0 14.444 18.011 9.478 0.000 0.000 0.000 3/29568 80.0 11.748 15.171 7.755 0.000 0.000 0.000 3/29568 90.0 9.893 13.280 6.565 0.000 0.000 0.000 3/29568 100.0 8.545 11.999 5.696 0.000 0.000 0.000 3/29568 110.0 7.526 11.128 5.036 0.000 0.000 0.000 3/29568 120.0 6.729 10.541 4.518 0.000 0.000 0.000 3/29568 130.0 6.089 10.155 4.101 0.000 0.000 0.000 3/29568 140.0 5.564 9.910 3.757 0.000 0.000 0.000 3/29568 150.0 5.125 9.766 3.469 0.000 0.000 0.000 3/29568 160.0 4.753 9.692 3.224 0.000 0.000 0.000 3/29568 170.0 4.433 9.665 3.014 0.000 0.000 0.000 3/29568 180.0 4.155 9.671 2.831 0.000 0.000 0.000 3/29568 190.0 3.911 9.698 2.670 0.000 0.000 0.000 3/29568 200.0 3.696 9.735 2.528 0.000 0.000 0.000 3/29568 210.0 3.504 9.778 2.402 0.000 0.000 0.000 3/29568 220.0 3.332 9.821 2.289 0.000 0.000 0.000 3/29568 230.0 3.177 9.862 2.188 0.000 0.000 0.000 3/29568 240.0 3.037 9.897 2.096 0.000 0.000 0.000 3/29568 250.0 2.910 9.926 2.013 0.000 0.000 0.000 3/29568 260.0 2.794 9.947 1.937 0.000 0.000 0.000 3/29568 270.0 2.687 9.960 1.867 0.000 0.000 0.000 3/29568 280.0 2.589 9.966 1.804 0.000 0.000 0.000 3/29568 290.0 2.499 9.963 1.745 0.000 0.000 0.000 3/29568 300.0 2.415 9.952 1.691 0.000 0.000 0.000 3/29568 310.0 2.338 9.934 1.641 0.000 0.000 0.000 3/29568 320.0 2.266 9.909 1.595 0.000 0.000 0.000 3/29568 330.0 2.199 9.877 1.552 0.000 0.000 0.000 3/29568 340.0 2.136 9.839 1.512 0.000 0.000 0.000 3/29568 350.0 2.078 9.796 1.474 0.000 0.000 0.000 3/29568 360.0 2.023 9.748 1.439 0.000 0.000 0.000 3/29568 370.0 1.971 9.695 1.407 0.000 0.000 0.000 3/29568 380.0 1.922 9.639 1.376 0.000 0.000 0.000 3/29568 390.0 1.876 9.579 1.347 0.000 0.000 0.000 3/29568 400.0 1.833 9.515 1.320 0.000 0.000 0.000 3/29568 410.0 1.792 9.449 1.294 0.000 0.000 0.000 3/29568 420.0 1.753 9.381 1.269 0.000 0.000 0.000 3/29568 430.0 1.716 9.310 1.246 0.000 0.000 0.000 3/29568 440.0 1.681 9.238 1.224 0.000 0.000 0.000 3/29568 450.0 1.648 9.165 1.203 0.000 0.000 0.000 3/29568 460.0 1.616 9.090 1.183 0.000 0.000 0.000 3/29568 470.0 1.586 9.014 1.164 0.000 0.000 0.000 3/29568 480.0 1.557 8.937 1.146 0.000 0.000 0.000 3/29568 490.0 1.529 8.860 1.129 0.000 0.000 0.000 3/29568 500.0 1.502 8.783 1.112 0.000 0.000 0.000 3/29568 510.0 1.477 8.705 1.096 0.000 0.000 0.000 3/29568 520.0 1.452 8.627 1.080 0.000 0.000 0.000 3/29568 530.0 1.428 8.550 1.065 0.000 0.000 0.000 3/29568 540.0 1.406 8.472 1.051 0.000 0.000 0.000 3/29568 550.0 1.384 8.395 1.037 0.000 0.000 0.000 3/29568 560.0 1.363 8.318 1.024 0.000 0.000 0.000 3/29568 570.0 1.342 8.241 1.011 0.000 0.000 0.000 3/29568 580.0 1.323 8.165 0.999 0.000 0.000 0.000 3/29568 590.0 1.304 8.089 0.986 0.000 0.000 0.000 3/29568 600.0 1.285 8.014 0.975 0.000 0.000 0.000 3/29568 610.0 1.267 7.940 0.963 0.000 0.000 0.000 3/29568 620.0 1.250 7.866 0.952 0.000 0.000 0.000 3/29568 630.0 1.233 7.793 0.942 0.000 0.000 0.000 3/29568 640.0 1.217 7.721 0.931 0.000 0.000 0.000 3/29568 650.0 1.201 7.649 0.921 0.000 0.000 0.000 3/29568 660.0 1.186 7.578 0.911 0.000 0.000 0.000 3/29568 670.0 1.171 7.508 0.901 0.000 0.000 0.000 3/29568 680.0 1.157 7.439 0.892 0.000 0.000 0.000 3/29568 690.0 1.143 7.371 0.883 0.000 0.000 0.000 3/29568 700.0 1.129 7.304 0.874 0.000 0.000 0.000 3/29568 710.0 1.115 7.237 0.865 0.000 0.000 0.000 3/29568 720.0 1.102 7.171 0.856 0.000 0.000 0.000 3/29568 730.0 1.090 7.106 0.848 0.000 0.000 0.000 3/29568 740.0 1.077 7.042 0.840 0.000 0.000 0.000 3/29568 750.0 1.065 6.979 0.832 0.000 0.000 0.000 3/29568 760.0 1.054 6.917 0.824 0.000 0.000 0.000 3/29568 770.0 1.042 6.855 0.816 0.000 0.000 0.000 3/29568 780.0 1.031 6.794 0.808 0.000 0.000 0.000 3/29568 790.0 1.020 6.734 0.801 0.000 0.000 0.000 3/29568 800.0 1.009 6.675 0.794 0.000 0.000 0.000 3/29568 810.0 0.999 6.617 0.787 0.000 0.000 0.000 3/29568 820.0 0.988 6.560 0.780 0.000 0.000 0.000 3/29568 830.0 0.978 6.503 0.773 0.000 0.000 0.000 3/29568 840.0 0.968 6.447 0.766 0.000 0.000 0.000 3/29568 850.0 0.959 6.392 0.759 0.000 0.000 0.000 3/29568 860.0 0.949 6.338 0.753 0.000 0.000 0.000 3/29568 870.0 0.940 6.284 0.747 0.000 0.000 0.000 3/29568 880.0 0.931 6.232 0.740 0.000 0.000 0.000 3/29568 890.0 0.922 6.180 0.734 0.000 0.000 0.000 3/29568 900.0 0.913 6.128 0.728 0.000 0.000 0.000 3/29568 910.0 0.905 6.078 0.722 0.000 0.000 0.000 3/29568 920.0 0.897 6.028 0.716 0.000 0.000 0.000 3/29568 930.0 0.888 5.979 0.711 0.000 0.000 0.000 3/29568 940.0 0.880 5.930 0.705 0.000 0.000 0.000 3/29568 950.0 0.872 5.883 0.699 0.000 0.000 0.000 3/29568 960.0 0.865 5.835 0.694 0.000 0.000 0.000 3/29568 970.0 0.857 5.789 0.688 0.000 0.000 0.000 3/29568 980.0 0.849 5.743 0.683 0.000 0.000 0.000 3/29568 990.0 0.842 5.698 0.678 0.000 0.000 0.000 3/29568 1000.0 0.835 5.654 0.673 0.000 0.000 0.000 3/29568 Thermal conductivity related properties were written into "kappa-m4118.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:36:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|