----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:36:19]------------------------- 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: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.648707529999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.973874290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.962787860000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *5 Sc 0.27133981058730 0.75000000000000 0.99440083562357 44.956 6 Sc 0.22866018941270 0.25000000000000 0.49440083562358 44.956 7 Sc 0.72866018941269 0.25000000000000 0.00559916437642 44.956 8 Sc 0.77133981058731 0.75000000000000 0.50559916437643 44.956 *9 Ge 0.08944769946330 0.75000000000000 0.54919631390471 72.640 10 Ge 0.41055230053670 0.25000000000000 0.04919631390471 72.640 11 Ge 0.91055230053670 0.25000000000000 0.45080368609529 72.640 12 Ge 0.58944769946330 0.75000000000000 0.95080368609529 72.640 *13 O 0.09594008304519 0.75000000000000 0.20061596565030 15.999 14 O 0.40405991695481 0.25000000000000 0.70061596565030 15.999 15 O 0.90405991695481 0.25000000000000 0.79938403434970 15.999 16 O 0.59594008304519 0.75000000000000 0.29938403434970 15.999 *17 O 0.44136930658370 0.75000000000000 0.79801115559953 15.999 18 O 0.05863069341630 0.25000000000000 0.29801115559953 15.999 19 O 0.55863069341630 0.25000000000000 0.20198884440047 15.999 20 O 0.94136930658370 0.75000000000000 0.70198884440047 15.999 *21 O 0.17310975979038 0.97117281294034 0.71458280941103 15.999 22 O 0.32689024020962 0.02882718705966 0.21458280941103 15.999 23 O 0.82689024020962 0.47117281294034 0.28541719058897 15.999 24 O 0.67310975979038 0.52882718705966 0.78541719058897 15.999 25 O 0.82689024020962 0.02882718705966 0.28541719058897 15.999 26 O 0.67310975979038 0.97117281294034 0.78541719058897 15.999 27 O 0.17310975979038 0.52882718705966 0.71458280941103 15.999 28 O 0.32689024020962 0.47117281294034 0.21458280941103 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.648707529999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.973874290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.962787860000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 2 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 3 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 4 *5 Sc 0.27133981058730 0.75000000000000 0.99440083562357 44.956 > 5 6 Sc 0.22866018941270 0.25000000000000 0.49440083562358 44.956 > 6 7 Sc 0.72866018941269 0.25000000000000 0.00559916437642 44.956 > 7 8 Sc 0.77133981058731 0.75000000000000 0.50559916437643 44.956 > 8 *9 Ge 0.08944769946330 0.75000000000000 0.54919631390471 72.640 > 9 10 Ge 0.41055230053670 0.25000000000000 0.04919631390471 72.640 > 10 11 Ge 0.91055230053670 0.25000000000000 0.45080368609529 72.640 > 11 12 Ge 0.58944769946330 0.75000000000000 0.95080368609529 72.640 > 12 *13 O 0.09594008304519 0.75000000000000 0.20061596565030 15.999 > 13 14 O 0.40405991695481 0.25000000000000 0.70061596565030 15.999 > 14 15 O 0.90405991695481 0.25000000000000 0.79938403434970 15.999 > 15 16 O 0.59594008304519 0.75000000000000 0.29938403434970 15.999 > 16 *17 O 0.44136930658370 0.75000000000000 0.79801115559953 15.999 > 17 18 O 0.05863069341630 0.25000000000000 0.29801115559953 15.999 > 18 19 O 0.55863069341630 0.25000000000000 0.20198884440047 15.999 > 19 20 O 0.94136930658370 0.75000000000000 0.70198884440047 15.999 > 20 *21 O 0.17310975979038 0.97117281294034 0.71458280941103 15.999 > 21 22 O 0.32689024020962 0.02882718705966 0.21458280941103 15.999 > 22 23 O 0.82689024020962 0.47117281294034 0.28541719058897 15.999 > 23 24 O 0.67310975979038 0.52882718705966 0.78541719058897 15.999 > 24 25 O 0.82689024020962 0.02882718705966 0.28541719058897 15.999 > 25 26 O 0.67310975979038 0.97117281294034 0.78541719058897 15.999 > 26 27 O 0.17310975979038 0.52882718705966 0.71458280941103 15.999 > 27 28 O 0.32689024020962 0.47117281294034 0.21458280941103 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.648707529999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.947748580000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.925575719999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 2 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 2 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 2 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 2 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 3 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 3 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 3 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 3 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 4 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 4 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 4 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 4 *17 Sc 0.27133981058730 0.37500000000000 0.49720041781179 44.956 > 5 18 Sc 0.27133981058730 0.87500000000000 0.49720041781179 44.956 > 5 19 Sc 0.27133981058730 0.37500000000000 0.99720041781179 44.956 > 5 20 Sc 0.27133981058730 0.87500000000000 0.99720041781179 44.956 > 5 21 Sc 0.22866018941270 0.12500000000000 0.24720041781179 44.956 > 6 22 Sc 0.22866018941270 0.62500000000000 0.24720041781179 44.956 > 6 23 Sc 0.22866018941270 0.12500000000000 0.74720041781179 44.956 > 6 24 Sc 0.22866018941270 0.62500000000000 0.74720041781179 44.956 > 6 25 Sc 0.72866018941269 0.12500000000000 0.00279958218821 44.956 > 7 26 Sc 0.72866018941269 0.62500000000000 0.00279958218821 44.956 > 7 27 Sc 0.72866018941269 0.12500000000000 0.50279958218821 44.956 > 7 28 Sc 0.72866018941269 0.62500000000000 0.50279958218821 44.956 > 7 29 Sc 0.77133981058731 0.37500000000000 0.25279958218821 44.956 > 8 30 Sc 0.77133981058731 0.87500000000000 0.25279958218821 44.956 > 8 31 Sc 0.77133981058731 0.37500000000000 0.75279958218821 44.956 > 8 32 Sc 0.77133981058731 0.87500000000000 0.75279958218821 44.956 > 8 *33 Ge 0.08944769946330 0.37500000000000 0.27459815695236 72.640 > 9 34 Ge 0.08944769946330 0.87500000000000 0.27459815695236 72.640 > 9 35 Ge 0.08944769946330 0.37500000000000 0.77459815695236 72.640 > 9 36 Ge 0.08944769946330 0.87500000000000 0.77459815695236 72.640 > 9 37 Ge 0.41055230053670 0.12500000000000 0.02459815695236 72.640 > 10 38 Ge 0.41055230053670 0.62500000000000 0.02459815695236 72.640 > 10 39 Ge 0.41055230053670 0.12500000000000 0.52459815695236 72.640 > 10 40 Ge 0.41055230053670 0.62500000000000 0.52459815695236 72.640 > 10 41 Ge 0.91055230053670 0.12500000000000 0.22540184304764 72.640 > 11 42 Ge 0.91055230053670 0.62500000000000 0.22540184304764 72.640 > 11 43 Ge 0.91055230053670 0.12500000000000 0.72540184304764 72.640 > 11 44 Ge 0.91055230053670 0.62500000000000 0.72540184304764 72.640 > 11 45 Ge 0.58944769946330 0.37500000000000 0.47540184304764 72.640 > 12 46 Ge 0.58944769946330 0.87500000000000 0.47540184304764 72.640 > 12 47 Ge 0.58944769946330 0.37500000000000 0.97540184304764 72.640 > 12 48 Ge 0.58944769946330 0.87500000000000 0.97540184304764 72.640 > 12 *49 O 0.09594008304519 0.37500000000000 0.10030798282515 15.999 > 13 50 O 0.09594008304519 0.87500000000000 0.10030798282515 15.999 > 13 51 O 0.09594008304519 0.37500000000000 0.60030798282515 15.999 > 13 52 O 0.09594008304519 0.87500000000000 0.60030798282515 15.999 > 13 53 O 0.40405991695481 0.12500000000000 0.35030798282515 15.999 > 14 54 O 0.40405991695481 0.62500000000000 0.35030798282515 15.999 > 14 55 O 0.40405991695481 0.12500000000000 0.85030798282515 15.999 > 14 56 O 0.40405991695481 0.62500000000000 0.85030798282515 15.999 > 14 57 O 0.90405991695481 0.12500000000000 0.39969201717485 15.999 > 15 58 O 0.90405991695481 0.62500000000000 0.39969201717485 15.999 > 15 59 O 0.90405991695481 0.12500000000000 0.89969201717485 15.999 > 15 60 O 0.90405991695481 0.62500000000000 0.89969201717485 15.999 > 15 61 O 0.59594008304519 0.37500000000000 0.14969201717485 15.999 > 16 62 O 0.59594008304519 0.87500000000000 0.14969201717485 15.999 > 16 63 O 0.59594008304519 0.37500000000000 0.64969201717485 15.999 > 16 64 O 0.59594008304519 0.87500000000000 0.64969201717485 15.999 > 16 *65 O 0.44136930658370 0.37500000000000 0.39900557779976 15.999 > 17 66 O 0.44136930658370 0.87500000000000 0.39900557779976 15.999 > 17 67 O 0.44136930658370 0.37500000000000 0.89900557779976 15.999 > 17 68 O 0.44136930658370 0.87500000000000 0.89900557779976 15.999 > 17 69 O 0.05863069341630 0.12500000000000 0.14900557779976 15.999 > 18 70 O 0.05863069341630 0.62500000000000 0.14900557779976 15.999 > 18 71 O 0.05863069341630 0.12500000000000 0.64900557779976 15.999 > 18 72 O 0.05863069341630 0.62500000000000 0.64900557779976 15.999 > 18 73 O 0.55863069341630 0.12500000000000 0.10099442220024 15.999 > 19 74 O 0.55863069341630 0.62500000000000 0.10099442220024 15.999 > 19 75 O 0.55863069341630 0.12500000000000 0.60099442220024 15.999 > 19 76 O 0.55863069341630 0.62500000000000 0.60099442220024 15.999 > 19 77 O 0.94136930658370 0.37500000000000 0.35099442220024 15.999 > 20 78 O 0.94136930658370 0.87500000000000 0.35099442220024 15.999 > 20 79 O 0.94136930658370 0.37500000000000 0.85099442220024 15.999 > 20 80 O 0.94136930658370 0.87500000000000 0.85099442220024 15.999 > 20 *81 O 0.17310975979038 0.48558640647017 0.35729140470551 15.999 > 21 82 O 0.17310975979038 0.98558640647017 0.35729140470551 15.999 > 21 83 O 0.17310975979038 0.48558640647017 0.85729140470551 15.999 > 21 84 O 0.17310975979038 0.98558640647017 0.85729140470551 15.999 > 21 85 O 0.32689024020962 0.01441359352983 0.10729140470551 15.999 > 22 86 O 0.32689024020962 0.51441359352983 0.10729140470551 15.999 > 22 87 O 0.32689024020962 0.01441359352983 0.60729140470551 15.999 > 22 88 O 0.32689024020962 0.51441359352983 0.60729140470551 15.999 > 22 89 O 0.82689024020962 0.23558640647017 0.14270859529449 15.999 > 23 90 O 0.82689024020962 0.73558640647017 0.14270859529449 15.999 > 23 91 O 0.82689024020962 0.23558640647017 0.64270859529449 15.999 > 23 92 O 0.82689024020962 0.73558640647017 0.64270859529449 15.999 > 23 93 O 0.67310975979038 0.26441359352983 0.39270859529449 15.999 > 24 94 O 0.67310975979038 0.76441359352983 0.39270859529449 15.999 > 24 95 O 0.67310975979038 0.26441359352983 0.89270859529449 15.999 > 24 96 O 0.67310975979038 0.76441359352983 0.89270859529449 15.999 > 24 97 O 0.82689024020962 0.01441359352983 0.14270859529449 15.999 > 25 98 O 0.82689024020962 0.51441359352983 0.14270859529449 15.999 > 25 99 O 0.82689024020962 0.01441359352983 0.64270859529449 15.999 > 25 100 O 0.82689024020962 0.51441359352983 0.64270859529449 15.999 > 25 101 O 0.67310975979038 0.48558640647017 0.39270859529449 15.999 > 26 102 O 0.67310975979038 0.98558640647017 0.39270859529449 15.999 > 26 103 O 0.67310975979038 0.48558640647017 0.89270859529449 15.999 > 26 104 O 0.67310975979038 0.98558640647017 0.89270859529449 15.999 > 26 105 O 0.17310975979038 0.26441359352983 0.35729140470551 15.999 > 27 106 O 0.17310975979038 0.76441359352983 0.35729140470551 15.999 > 27 107 O 0.17310975979038 0.26441359352983 0.85729140470551 15.999 > 27 108 O 0.17310975979038 0.76441359352983 0.85729140470551 15.999 > 27 109 O 0.32689024020962 0.23558640647017 0.10729140470551 15.999 > 28 110 O 0.32689024020962 0.73558640647017 0.10729140470551 15.999 > 28 111 O 0.32689024020962 0.23558640647017 0.60729140470551 15.999 > 28 112 O 0.32689024020962 0.73558640647017 0.60729140470551 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8560616 0.0000000 0.0000000 0.0000000 3.7414503 0.0000000 0.0000000 0.0000000 3.6909146 -------------------------- Born effective charges -------------------------- 1 Li 1.0725006 -0.1996055 0.0399556 -0.1108926 1.0492797 0.0837118 0.0477955 0.0607326 1.2629740 2 Li 1.0725006 -0.1996055 -0.0399556 -0.1108926 1.0492797 -0.0837118 -0.0477955 -0.0607326 1.2629740 3 Li 1.0725006 0.1996055 0.0399556 0.1108926 1.0492797 -0.0837118 0.0477955 -0.0607326 1.2629740 4 Li 1.0725006 0.1996055 -0.0399556 0.1108926 1.0492797 0.0837118 -0.0477955 0.0607326 1.2629740 5 Sc 4.1138425 0.0000000 -0.1373240 0.0000000 4.1006691 0.0000000 -0.0076016 0.0000000 3.4832896 6 Sc 4.1138425 0.0000000 0.1373240 0.0000000 4.1006691 0.0000000 0.0076016 0.0000000 3.4832896 7 Sc 4.1138425 0.0000000 -0.1373240 0.0000000 4.1006691 0.0000000 -0.0076016 0.0000000 3.4832896 8 Sc 4.1138425 0.0000000 0.1373240 0.0000000 4.1006691 0.0000000 0.0076016 0.0000000 3.4832896 9 Ge 3.4372066 0.0000000 -0.2417635 0.0000000 3.1556747 0.0000000 0.2019838 0.0000000 3.0472581 10 Ge 3.4372066 0.0000000 0.2417635 0.0000000 3.1556747 0.0000000 -0.2019838 0.0000000 3.0472581 11 Ge 3.4372066 0.0000000 -0.2417635 0.0000000 3.1556747 0.0000000 0.2019838 0.0000000 3.0472581 12 Ge 3.4372066 0.0000000 0.2417635 0.0000000 3.1556747 0.0000000 -0.2019838 0.0000000 3.0472581 13 O -1.9840949 0.0000000 0.4798777 0.0000000 -1.3996373 0.0000000 0.5485181 0.0000000 -2.4085231 14 O -1.9840949 0.0000000 -0.4798777 0.0000000 -1.3996373 0.0000000 -0.5485181 0.0000000 -2.4085231 15 O -1.9840949 0.0000000 0.4798777 0.0000000 -1.3996373 0.0000000 0.5485181 0.0000000 -2.4085231 16 O -1.9840949 0.0000000 -0.4798777 0.0000000 -1.3996373 0.0000000 -0.5485181 0.0000000 -2.4085231 17 O -3.1066310 0.0000000 0.1937842 0.0000000 -1.4682053 0.0000000 0.2515756 0.0000000 -1.5066210 18 O -3.1066310 0.0000000 -0.1937842 0.0000000 -1.4682053 0.0000000 -0.2515756 0.0000000 -1.5066210 19 O -3.1066310 0.0000000 0.1937842 0.0000000 -1.4682053 0.0000000 0.2515756 0.0000000 -1.5066210 20 O -3.1066310 0.0000000 -0.1937842 0.0000000 -1.4682053 0.0000000 -0.2515756 0.0000000 -1.5066210 21 O -1.7664119 -0.2463671 -0.2820721 -0.3823022 -2.7188905 0.5264837 -0.3262252 0.4618332 -1.9391888 22 O -1.7664119 -0.2463671 0.2820721 -0.3823022 -2.7188905 -0.5264837 0.3262252 -0.4618332 -1.9391888 23 O -1.7664119 0.2463671 -0.2820721 0.3823022 -2.7188905 -0.5264837 -0.3262252 -0.4618332 -1.9391888 24 O -1.7664119 0.2463671 0.2820721 0.3823022 -2.7188905 0.5264837 0.3262252 0.4618332 -1.9391888 25 O -1.7664119 -0.2463671 -0.2820721 -0.3823022 -2.7188905 0.5264837 -0.3262252 0.4618332 -1.9391888 26 O -1.7664119 -0.2463671 0.2820721 -0.3823022 -2.7188905 -0.5264837 0.3262252 -0.4618332 -1.9391888 27 O -1.7664119 0.2463671 -0.2820721 0.3823022 -2.7188905 -0.5264837 -0.3262252 -0.4618332 -1.9391888 28 O -1.7664119 0.2463671 0.2820721 0.3823022 -2.7188905 0.5264837 0.3262252 0.4618332 -1.9391888 ---------------------------------------------------------------------------- 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: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.056 Solver_block: 200 / 480 - Time: 3.067 Solver_block: 300 / 480 - Time: 3.064 Solver_block: 400 / 480 - Time: 3.072 Solver_block: 480 / 480 - Time: 2.483 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.793 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), 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 2026-01-08 09:36:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:36:54]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.648707529999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.973874290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.962787860000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 Sc 0.27133981058730 0.75000000000000 0.99440083562357 44.956 6 Sc 0.22866018941270 0.25000000000000 0.49440083562358 44.956 7 Sc 0.72866018941269 0.25000000000000 0.00559916437642 44.956 8 Sc 0.77133981058731 0.75000000000000 0.50559916437643 44.956 9 Ge 0.08944769946330 0.75000000000000 0.54919631390471 72.640 10 Ge 0.41055230053670 0.25000000000000 0.04919631390471 72.640 11 Ge 0.91055230053670 0.25000000000000 0.45080368609529 72.640 12 Ge 0.58944769946330 0.75000000000000 0.95080368609529 72.640 13 O 0.09594008304519 0.75000000000000 0.20061596565030 15.999 14 O 0.40405991695481 0.25000000000000 0.70061596565030 15.999 15 O 0.90405991695481 0.25000000000000 0.79938403434970 15.999 16 O 0.59594008304519 0.75000000000000 0.29938403434970 15.999 17 O 0.44136930658370 0.75000000000000 0.79801115559953 15.999 18 O 0.05863069341630 0.25000000000000 0.29801115559953 15.999 19 O 0.55863069341630 0.25000000000000 0.20198884440047 15.999 20 O 0.94136930658370 0.75000000000000 0.70198884440047 15.999 21 O 0.17310975979038 0.97117281294034 0.71458280941103 15.999 22 O 0.32689024020962 0.02882718705966 0.21458280941103 15.999 23 O 0.82689024020962 0.47117281294034 0.28541719058897 15.999 24 O 0.67310975979038 0.52882718705966 0.78541719058897 15.999 25 O 0.82689024020962 0.02882718705966 0.28541719058897 15.999 26 O 0.67310975979038 0.97117281294034 0.78541719058897 15.999 27 O 0.17310975979038 0.52882718705966 0.71458280941103 15.999 28 O 0.32689024020962 0.47117281294034 0.21458280941103 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.648707529999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.947748580000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.925575719999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 Sc 0.27133981058730 0.37500000000000 0.49720041781179 44.956 > 17 18 Sc 0.27133981058730 0.87500000000000 0.49720041781179 44.956 > 17 19 Sc 0.27133981058730 0.37500000000000 0.99720041781179 44.956 > 17 20 Sc 0.27133981058730 0.87500000000000 0.99720041781179 44.956 > 17 21 Sc 0.22866018941270 0.12500000000000 0.24720041781179 44.956 > 21 22 Sc 0.22866018941270 0.62500000000000 0.24720041781179 44.956 > 21 23 Sc 0.22866018941270 0.12500000000000 0.74720041781179 44.956 > 21 24 Sc 0.22866018941270 0.62500000000000 0.74720041781179 44.956 > 21 25 Sc 0.72866018941269 0.12500000000000 0.00279958218821 44.956 > 25 26 Sc 0.72866018941269 0.62500000000000 0.00279958218821 44.956 > 25 27 Sc 0.72866018941269 0.12500000000000 0.50279958218821 44.956 > 25 28 Sc 0.72866018941269 0.62500000000000 0.50279958218821 44.956 > 25 29 Sc 0.77133981058731 0.37500000000000 0.25279958218821 44.956 > 29 30 Sc 0.77133981058731 0.87500000000000 0.25279958218821 44.956 > 29 31 Sc 0.77133981058731 0.37500000000000 0.75279958218821 44.956 > 29 32 Sc 0.77133981058731 0.87500000000000 0.75279958218821 44.956 > 29 33 Ge 0.08944769946330 0.37500000000000 0.27459815695236 72.640 > 33 34 Ge 0.08944769946330 0.87500000000000 0.27459815695236 72.640 > 33 35 Ge 0.08944769946330 0.37500000000000 0.77459815695236 72.640 > 33 36 Ge 0.08944769946330 0.87500000000000 0.77459815695236 72.640 > 33 37 Ge 0.41055230053670 0.12500000000000 0.02459815695236 72.640 > 37 38 Ge 0.41055230053670 0.62500000000000 0.02459815695236 72.640 > 37 39 Ge 0.41055230053670 0.12500000000000 0.52459815695236 72.640 > 37 40 Ge 0.41055230053670 0.62500000000000 0.52459815695236 72.640 > 37 41 Ge 0.91055230053670 0.12500000000000 0.22540184304764 72.640 > 41 42 Ge 0.91055230053670 0.62500000000000 0.22540184304764 72.640 > 41 43 Ge 0.91055230053670 0.12500000000000 0.72540184304764 72.640 > 41 44 Ge 0.91055230053670 0.62500000000000 0.72540184304764 72.640 > 41 45 Ge 0.58944769946330 0.37500000000000 0.47540184304764 72.640 > 45 46 Ge 0.58944769946330 0.87500000000000 0.47540184304764 72.640 > 45 47 Ge 0.58944769946330 0.37500000000000 0.97540184304764 72.640 > 45 48 Ge 0.58944769946330 0.87500000000000 0.97540184304764 72.640 > 45 49 O 0.09594008304519 0.37500000000000 0.10030798282515 15.999 > 49 50 O 0.09594008304519 0.87500000000000 0.10030798282515 15.999 > 49 51 O 0.09594008304519 0.37500000000000 0.60030798282515 15.999 > 49 52 O 0.09594008304519 0.87500000000000 0.60030798282515 15.999 > 49 53 O 0.40405991695481 0.12500000000000 0.35030798282515 15.999 > 53 54 O 0.40405991695481 0.62500000000000 0.35030798282515 15.999 > 53 55 O 0.40405991695481 0.12500000000000 0.85030798282515 15.999 > 53 56 O 0.40405991695481 0.62500000000000 0.85030798282515 15.999 > 53 57 O 0.90405991695481 0.12500000000000 0.39969201717485 15.999 > 57 58 O 0.90405991695481 0.62500000000000 0.39969201717485 15.999 > 57 59 O 0.90405991695481 0.12500000000000 0.89969201717485 15.999 > 57 60 O 0.90405991695481 0.62500000000000 0.89969201717485 15.999 > 57 61 O 0.59594008304519 0.37500000000000 0.14969201717485 15.999 > 61 62 O 0.59594008304519 0.87500000000000 0.14969201717485 15.999 > 61 63 O 0.59594008304519 0.37500000000000 0.64969201717485 15.999 > 61 64 O 0.59594008304519 0.87500000000000 0.64969201717485 15.999 > 61 65 O 0.44136930658370 0.37500000000000 0.39900557779976 15.999 > 65 66 O 0.44136930658370 0.87500000000000 0.39900557779976 15.999 > 65 67 O 0.44136930658370 0.37500000000000 0.89900557779976 15.999 > 65 68 O 0.44136930658370 0.87500000000000 0.89900557779976 15.999 > 65 69 O 0.05863069341630 0.12500000000000 0.14900557779976 15.999 > 69 70 O 0.05863069341630 0.62500000000000 0.14900557779976 15.999 > 69 71 O 0.05863069341630 0.12500000000000 0.64900557779976 15.999 > 69 72 O 0.05863069341630 0.62500000000000 0.64900557779976 15.999 > 69 73 O 0.55863069341630 0.12500000000000 0.10099442220024 15.999 > 73 74 O 0.55863069341630 0.62500000000000 0.10099442220024 15.999 > 73 75 O 0.55863069341630 0.12500000000000 0.60099442220024 15.999 > 73 76 O 0.55863069341630 0.62500000000000 0.60099442220024 15.999 > 73 77 O 0.94136930658370 0.37500000000000 0.35099442220024 15.999 > 77 78 O 0.94136930658370 0.87500000000000 0.35099442220024 15.999 > 77 79 O 0.94136930658370 0.37500000000000 0.85099442220024 15.999 > 77 80 O 0.94136930658370 0.87500000000000 0.85099442220024 15.999 > 77 81 O 0.17310975979038 0.48558640647017 0.35729140470551 15.999 > 81 82 O 0.17310975979038 0.98558640647017 0.35729140470551 15.999 > 81 83 O 0.17310975979038 0.48558640647017 0.85729140470551 15.999 > 81 84 O 0.17310975979038 0.98558640647017 0.85729140470551 15.999 > 81 85 O 0.32689024020962 0.01441359352983 0.10729140470551 15.999 > 85 86 O 0.32689024020962 0.51441359352983 0.10729140470551 15.999 > 85 87 O 0.32689024020962 0.01441359352983 0.60729140470551 15.999 > 85 88 O 0.32689024020962 0.51441359352983 0.60729140470551 15.999 > 85 89 O 0.82689024020962 0.23558640647017 0.14270859529449 15.999 > 89 90 O 0.82689024020962 0.73558640647017 0.14270859529449 15.999 > 89 91 O 0.82689024020962 0.23558640647017 0.64270859529449 15.999 > 89 92 O 0.82689024020962 0.73558640647017 0.64270859529449 15.999 > 89 93 O 0.67310975979038 0.26441359352983 0.39270859529449 15.999 > 93 94 O 0.67310975979038 0.76441359352983 0.39270859529449 15.999 > 93 95 O 0.67310975979038 0.26441359352983 0.89270859529449 15.999 > 93 96 O 0.67310975979038 0.76441359352983 0.89270859529449 15.999 > 93 97 O 0.82689024020962 0.01441359352983 0.14270859529449 15.999 > 97 98 O 0.82689024020962 0.51441359352983 0.14270859529449 15.999 > 97 99 O 0.82689024020962 0.01441359352983 0.64270859529449 15.999 > 97 100 O 0.82689024020962 0.51441359352983 0.64270859529449 15.999 > 97 101 O 0.67310975979038 0.48558640647017 0.39270859529449 15.999 > 101 102 O 0.67310975979038 0.98558640647017 0.39270859529449 15.999 > 101 103 O 0.67310975979038 0.48558640647017 0.89270859529449 15.999 > 101 104 O 0.67310975979038 0.98558640647017 0.89270859529449 15.999 > 101 105 O 0.17310975979038 0.26441359352983 0.35729140470551 15.999 > 105 106 O 0.17310975979038 0.76441359352983 0.35729140470551 15.999 > 105 107 O 0.17310975979038 0.26441359352983 0.85729140470551 15.999 > 105 108 O 0.17310975979038 0.76441359352983 0.85729140470551 15.999 > 105 109 O 0.32689024020962 0.23558640647017 0.10729140470551 15.999 > 109 110 O 0.32689024020962 0.73558640647017 0.10729140470551 15.999 > 109 111 O 0.32689024020962 0.23558640647017 0.60729140470551 15.999 > 109 112 O 0.32689024020962 0.73558640647017 0.60729140470551 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8560616 0.0000000 0.0000000 0.0000000 3.7414503 0.0000000 0.0000000 0.0000000 3.6909146 -------------------------- Born effective charges -------------------------- 1 Li 1.0725006 -0.1996055 0.0399556 -0.1108926 1.0492797 0.0837118 0.0477955 0.0607326 1.2629740 2 Li 1.0725006 -0.1996055 -0.0399556 -0.1108926 1.0492797 -0.0837118 -0.0477955 -0.0607326 1.2629740 3 Li 1.0725006 0.1996055 0.0399556 0.1108926 1.0492797 -0.0837118 0.0477955 -0.0607326 1.2629740 4 Li 1.0725006 0.1996055 -0.0399556 0.1108926 1.0492797 0.0837118 -0.0477955 0.0607326 1.2629740 5 Sc 4.1138425 0.0000000 -0.1373240 0.0000000 4.1006691 0.0000000 -0.0076016 0.0000000 3.4832896 6 Sc 4.1138425 0.0000000 0.1373240 0.0000000 4.1006691 0.0000000 0.0076016 0.0000000 3.4832896 7 Sc 4.1138425 0.0000000 -0.1373240 0.0000000 4.1006691 0.0000000 -0.0076016 0.0000000 3.4832896 8 Sc 4.1138425 0.0000000 0.1373240 0.0000000 4.1006691 0.0000000 0.0076016 0.0000000 3.4832896 9 Ge 3.4372066 0.0000000 -0.2417635 0.0000000 3.1556747 0.0000000 0.2019838 0.0000000 3.0472581 10 Ge 3.4372066 0.0000000 0.2417635 0.0000000 3.1556747 0.0000000 -0.2019838 0.0000000 3.0472581 11 Ge 3.4372066 0.0000000 -0.2417635 0.0000000 3.1556747 0.0000000 0.2019838 0.0000000 3.0472581 12 Ge 3.4372066 0.0000000 0.2417635 0.0000000 3.1556747 0.0000000 -0.2019838 0.0000000 3.0472581 13 O -1.9840949 0.0000000 0.4798777 0.0000000 -1.3996373 0.0000000 0.5485181 0.0000000 -2.4085231 14 O -1.9840949 0.0000000 -0.4798777 0.0000000 -1.3996373 0.0000000 -0.5485181 0.0000000 -2.4085231 15 O -1.9840949 0.0000000 0.4798777 0.0000000 -1.3996373 0.0000000 0.5485181 0.0000000 -2.4085231 16 O -1.9840949 0.0000000 -0.4798777 0.0000000 -1.3996373 0.0000000 -0.5485181 0.0000000 -2.4085231 17 O -3.1066310 0.0000000 0.1937842 0.0000000 -1.4682053 0.0000000 0.2515756 0.0000000 -1.5066210 18 O -3.1066310 0.0000000 -0.1937842 0.0000000 -1.4682053 0.0000000 -0.2515756 0.0000000 -1.5066210 19 O -3.1066310 0.0000000 0.1937842 0.0000000 -1.4682053 0.0000000 0.2515756 0.0000000 -1.5066210 20 O -3.1066310 0.0000000 -0.1937842 0.0000000 -1.4682053 0.0000000 -0.2515756 0.0000000 -1.5066210 21 O -1.7664119 -0.2463671 -0.2820721 -0.3823022 -2.7188905 0.5264837 -0.3262252 0.4618332 -1.9391888 22 O -1.7664119 -0.2463671 0.2820721 -0.3823022 -2.7188905 -0.5264837 0.3262252 -0.4618332 -1.9391888 23 O -1.7664119 0.2463671 -0.2820721 0.3823022 -2.7188905 -0.5264837 -0.3262252 -0.4618332 -1.9391888 24 O -1.7664119 0.2463671 0.2820721 0.3823022 -2.7188905 0.5264837 0.3262252 0.4618332 -1.9391888 25 O -1.7664119 -0.2463671 -0.2820721 -0.3823022 -2.7188905 0.5264837 -0.3262252 0.4618332 -1.9391888 26 O -1.7664119 -0.2463671 0.2820721 -0.3823022 -2.7188905 -0.5264837 0.3262252 -0.4618332 -1.9391888 27 O -1.7664119 0.2463671 -0.2820721 0.3823022 -2.7188905 -0.5264837 -0.3262252 -0.4618332 -1.9391888 28 O -1.7664119 0.2463671 0.2820721 0.3823022 -2.7188905 0.5264837 0.3262252 0.4618332 -1.9391888 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (zy) 0.00000007 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:37:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:37:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.648707529999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.973874290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.962787860000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 Sc 0.27133981058730 0.75000000000000 0.99440083562357 44.956 6 Sc 0.22866018941270 0.25000000000000 0.49440083562358 44.956 7 Sc 0.72866018941269 0.25000000000000 0.00559916437642 44.956 8 Sc 0.77133981058731 0.75000000000000 0.50559916437643 44.956 9 Ge 0.08944769946330 0.75000000000000 0.54919631390471 72.640 10 Ge 0.41055230053670 0.25000000000000 0.04919631390471 72.640 11 Ge 0.91055230053670 0.25000000000000 0.45080368609529 72.640 12 Ge 0.58944769946330 0.75000000000000 0.95080368609529 72.640 13 O 0.09594008304519 0.75000000000000 0.20061596565030 15.999 14 O 0.40405991695481 0.25000000000000 0.70061596565030 15.999 15 O 0.90405991695481 0.25000000000000 0.79938403434970 15.999 16 O 0.59594008304519 0.75000000000000 0.29938403434970 15.999 17 O 0.44136930658370 0.75000000000000 0.79801115559953 15.999 18 O 0.05863069341630 0.25000000000000 0.29801115559953 15.999 19 O 0.55863069341630 0.25000000000000 0.20198884440047 15.999 20 O 0.94136930658370 0.75000000000000 0.70198884440047 15.999 21 O 0.17310975979038 0.97117281294034 0.71458280941103 15.999 22 O 0.32689024020962 0.02882718705966 0.21458280941103 15.999 23 O 0.82689024020962 0.47117281294034 0.28541719058897 15.999 24 O 0.67310975979038 0.52882718705966 0.78541719058897 15.999 25 O 0.82689024020962 0.02882718705966 0.28541719058897 15.999 26 O 0.67310975979038 0.97117281294034 0.78541719058897 15.999 27 O 0.17310975979038 0.52882718705966 0.71458280941103 15.999 28 O 0.32689024020962 0.47117281294034 0.21458280941103 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.648707529999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.947748580000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.925575719999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 Sc 0.27133981058730 0.37500000000000 0.49720041781179 44.956 > 17 18 Sc 0.27133981058730 0.87500000000000 0.49720041781179 44.956 > 17 19 Sc 0.27133981058730 0.37500000000000 0.99720041781179 44.956 > 17 20 Sc 0.27133981058730 0.87500000000000 0.99720041781179 44.956 > 17 21 Sc 0.22866018941270 0.12500000000000 0.24720041781179 44.956 > 21 22 Sc 0.22866018941270 0.62500000000000 0.24720041781179 44.956 > 21 23 Sc 0.22866018941270 0.12500000000000 0.74720041781179 44.956 > 21 24 Sc 0.22866018941270 0.62500000000000 0.74720041781179 44.956 > 21 25 Sc 0.72866018941269 0.12500000000000 0.00279958218821 44.956 > 25 26 Sc 0.72866018941269 0.62500000000000 0.00279958218821 44.956 > 25 27 Sc 0.72866018941269 0.12500000000000 0.50279958218821 44.956 > 25 28 Sc 0.72866018941269 0.62500000000000 0.50279958218821 44.956 > 25 29 Sc 0.77133981058731 0.37500000000000 0.25279958218821 44.956 > 29 30 Sc 0.77133981058731 0.87500000000000 0.25279958218821 44.956 > 29 31 Sc 0.77133981058731 0.37500000000000 0.75279958218821 44.956 > 29 32 Sc 0.77133981058731 0.87500000000000 0.75279958218821 44.956 > 29 33 Ge 0.08944769946330 0.37500000000000 0.27459815695236 72.640 > 33 34 Ge 0.08944769946330 0.87500000000000 0.27459815695236 72.640 > 33 35 Ge 0.08944769946330 0.37500000000000 0.77459815695236 72.640 > 33 36 Ge 0.08944769946330 0.87500000000000 0.77459815695236 72.640 > 33 37 Ge 0.41055230053670 0.12500000000000 0.02459815695236 72.640 > 37 38 Ge 0.41055230053670 0.62500000000000 0.02459815695236 72.640 > 37 39 Ge 0.41055230053670 0.12500000000000 0.52459815695236 72.640 > 37 40 Ge 0.41055230053670 0.62500000000000 0.52459815695236 72.640 > 37 41 Ge 0.91055230053670 0.12500000000000 0.22540184304764 72.640 > 41 42 Ge 0.91055230053670 0.62500000000000 0.22540184304764 72.640 > 41 43 Ge 0.91055230053670 0.12500000000000 0.72540184304764 72.640 > 41 44 Ge 0.91055230053670 0.62500000000000 0.72540184304764 72.640 > 41 45 Ge 0.58944769946330 0.37500000000000 0.47540184304764 72.640 > 45 46 Ge 0.58944769946330 0.87500000000000 0.47540184304764 72.640 > 45 47 Ge 0.58944769946330 0.37500000000000 0.97540184304764 72.640 > 45 48 Ge 0.58944769946330 0.87500000000000 0.97540184304764 72.640 > 45 49 O 0.09594008304519 0.37500000000000 0.10030798282515 15.999 > 49 50 O 0.09594008304519 0.87500000000000 0.10030798282515 15.999 > 49 51 O 0.09594008304519 0.37500000000000 0.60030798282515 15.999 > 49 52 O 0.09594008304519 0.87500000000000 0.60030798282515 15.999 > 49 53 O 0.40405991695481 0.12500000000000 0.35030798282515 15.999 > 53 54 O 0.40405991695481 0.62500000000000 0.35030798282515 15.999 > 53 55 O 0.40405991695481 0.12500000000000 0.85030798282515 15.999 > 53 56 O 0.40405991695481 0.62500000000000 0.85030798282515 15.999 > 53 57 O 0.90405991695481 0.12500000000000 0.39969201717485 15.999 > 57 58 O 0.90405991695481 0.62500000000000 0.39969201717485 15.999 > 57 59 O 0.90405991695481 0.12500000000000 0.89969201717485 15.999 > 57 60 O 0.90405991695481 0.62500000000000 0.89969201717485 15.999 > 57 61 O 0.59594008304519 0.37500000000000 0.14969201717485 15.999 > 61 62 O 0.59594008304519 0.87500000000000 0.14969201717485 15.999 > 61 63 O 0.59594008304519 0.37500000000000 0.64969201717485 15.999 > 61 64 O 0.59594008304519 0.87500000000000 0.64969201717485 15.999 > 61 65 O 0.44136930658370 0.37500000000000 0.39900557779976 15.999 > 65 66 O 0.44136930658370 0.87500000000000 0.39900557779976 15.999 > 65 67 O 0.44136930658370 0.37500000000000 0.89900557779976 15.999 > 65 68 O 0.44136930658370 0.87500000000000 0.89900557779976 15.999 > 65 69 O 0.05863069341630 0.12500000000000 0.14900557779976 15.999 > 69 70 O 0.05863069341630 0.62500000000000 0.14900557779976 15.999 > 69 71 O 0.05863069341630 0.12500000000000 0.64900557779976 15.999 > 69 72 O 0.05863069341630 0.62500000000000 0.64900557779976 15.999 > 69 73 O 0.55863069341630 0.12500000000000 0.10099442220024 15.999 > 73 74 O 0.55863069341630 0.62500000000000 0.10099442220024 15.999 > 73 75 O 0.55863069341630 0.12500000000000 0.60099442220024 15.999 > 73 76 O 0.55863069341630 0.62500000000000 0.60099442220024 15.999 > 73 77 O 0.94136930658370 0.37500000000000 0.35099442220024 15.999 > 77 78 O 0.94136930658370 0.87500000000000 0.35099442220024 15.999 > 77 79 O 0.94136930658370 0.37500000000000 0.85099442220024 15.999 > 77 80 O 0.94136930658370 0.87500000000000 0.85099442220024 15.999 > 77 81 O 0.17310975979038 0.48558640647017 0.35729140470551 15.999 > 81 82 O 0.17310975979038 0.98558640647017 0.35729140470551 15.999 > 81 83 O 0.17310975979038 0.48558640647017 0.85729140470551 15.999 > 81 84 O 0.17310975979038 0.98558640647017 0.85729140470551 15.999 > 81 85 O 0.32689024020962 0.01441359352983 0.10729140470551 15.999 > 85 86 O 0.32689024020962 0.51441359352983 0.10729140470551 15.999 > 85 87 O 0.32689024020962 0.01441359352983 0.60729140470551 15.999 > 85 88 O 0.32689024020962 0.51441359352983 0.60729140470551 15.999 > 85 89 O 0.82689024020962 0.23558640647017 0.14270859529449 15.999 > 89 90 O 0.82689024020962 0.73558640647017 0.14270859529449 15.999 > 89 91 O 0.82689024020962 0.23558640647017 0.64270859529449 15.999 > 89 92 O 0.82689024020962 0.73558640647017 0.64270859529449 15.999 > 89 93 O 0.67310975979038 0.26441359352983 0.39270859529449 15.999 > 93 94 O 0.67310975979038 0.76441359352983 0.39270859529449 15.999 > 93 95 O 0.67310975979038 0.26441359352983 0.89270859529449 15.999 > 93 96 O 0.67310975979038 0.76441359352983 0.89270859529449 15.999 > 93 97 O 0.82689024020962 0.01441359352983 0.14270859529449 15.999 > 97 98 O 0.82689024020962 0.51441359352983 0.14270859529449 15.999 > 97 99 O 0.82689024020962 0.01441359352983 0.64270859529449 15.999 > 97 100 O 0.82689024020962 0.51441359352983 0.64270859529449 15.999 > 97 101 O 0.67310975979038 0.48558640647017 0.39270859529449 15.999 > 101 102 O 0.67310975979038 0.98558640647017 0.39270859529449 15.999 > 101 103 O 0.67310975979038 0.48558640647017 0.89270859529449 15.999 > 101 104 O 0.67310975979038 0.98558640647017 0.89270859529449 15.999 > 101 105 O 0.17310975979038 0.26441359352983 0.35729140470551 15.999 > 105 106 O 0.17310975979038 0.76441359352983 0.35729140470551 15.999 > 105 107 O 0.17310975979038 0.26441359352983 0.85729140470551 15.999 > 105 108 O 0.17310975979038 0.76441359352983 0.85729140470551 15.999 > 105 109 O 0.32689024020962 0.23558640647017 0.10729140470551 15.999 > 109 110 O 0.32689024020962 0.73558640647017 0.10729140470551 15.999 > 109 111 O 0.32689024020962 0.23558640647017 0.60729140470551 15.999 > 109 112 O 0.32689024020962 0.73558640647017 0.60729140470551 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8560616 0.0000000 0.0000000 0.0000000 3.7414503 0.0000000 0.0000000 0.0000000 3.6909146 -------------------------- Born effective charges -------------------------- 1 Li 1.0725006 -0.1996055 0.0399556 -0.1108926 1.0492797 0.0837118 0.0477955 0.0607326 1.2629740 2 Li 1.0725006 -0.1996055 -0.0399556 -0.1108926 1.0492797 -0.0837118 -0.0477955 -0.0607326 1.2629740 3 Li 1.0725006 0.1996055 0.0399556 0.1108926 1.0492797 -0.0837118 0.0477955 -0.0607326 1.2629740 4 Li 1.0725006 0.1996055 -0.0399556 0.1108926 1.0492797 0.0837118 -0.0477955 0.0607326 1.2629740 5 Sc 4.1138425 0.0000000 -0.1373240 0.0000000 4.1006691 0.0000000 -0.0076016 0.0000000 3.4832896 6 Sc 4.1138425 0.0000000 0.1373240 0.0000000 4.1006691 0.0000000 0.0076016 0.0000000 3.4832896 7 Sc 4.1138425 0.0000000 -0.1373240 0.0000000 4.1006691 0.0000000 -0.0076016 0.0000000 3.4832896 8 Sc 4.1138425 0.0000000 0.1373240 0.0000000 4.1006691 0.0000000 0.0076016 0.0000000 3.4832896 9 Ge 3.4372066 0.0000000 -0.2417635 0.0000000 3.1556747 0.0000000 0.2019838 0.0000000 3.0472581 10 Ge 3.4372066 0.0000000 0.2417635 0.0000000 3.1556747 0.0000000 -0.2019838 0.0000000 3.0472581 11 Ge 3.4372066 0.0000000 -0.2417635 0.0000000 3.1556747 0.0000000 0.2019838 0.0000000 3.0472581 12 Ge 3.4372066 0.0000000 0.2417635 0.0000000 3.1556747 0.0000000 -0.2019838 0.0000000 3.0472581 13 O -1.9840949 0.0000000 0.4798777 0.0000000 -1.3996373 0.0000000 0.5485181 0.0000000 -2.4085231 14 O -1.9840949 0.0000000 -0.4798777 0.0000000 -1.3996373 0.0000000 -0.5485181 0.0000000 -2.4085231 15 O -1.9840949 0.0000000 0.4798777 0.0000000 -1.3996373 0.0000000 0.5485181 0.0000000 -2.4085231 16 O -1.9840949 0.0000000 -0.4798777 0.0000000 -1.3996373 0.0000000 -0.5485181 0.0000000 -2.4085231 17 O -3.1066310 0.0000000 0.1937842 0.0000000 -1.4682053 0.0000000 0.2515756 0.0000000 -1.5066210 18 O -3.1066310 0.0000000 -0.1937842 0.0000000 -1.4682053 0.0000000 -0.2515756 0.0000000 -1.5066210 19 O -3.1066310 0.0000000 0.1937842 0.0000000 -1.4682053 0.0000000 0.2515756 0.0000000 -1.5066210 20 O -3.1066310 0.0000000 -0.1937842 0.0000000 -1.4682053 0.0000000 -0.2515756 0.0000000 -1.5066210 21 O -1.7664119 -0.2463671 -0.2820721 -0.3823022 -2.7188905 0.5264837 -0.3262252 0.4618332 -1.9391888 22 O -1.7664119 -0.2463671 0.2820721 -0.3823022 -2.7188905 -0.5264837 0.3262252 -0.4618332 -1.9391888 23 O -1.7664119 0.2463671 -0.2820721 0.3823022 -2.7188905 -0.5264837 -0.3262252 -0.4618332 -1.9391888 24 O -1.7664119 0.2463671 0.2820721 0.3823022 -2.7188905 0.5264837 0.3262252 0.4618332 -1.9391888 25 O -1.7664119 -0.2463671 -0.2820721 -0.3823022 -2.7188905 0.5264837 -0.3262252 0.4618332 -1.9391888 26 O -1.7664119 -0.2463671 0.2820721 -0.3823022 -2.7188905 -0.5264837 0.3262252 -0.4618332 -1.9391888 27 O -1.7664119 0.2463671 -0.2820721 0.3823022 -2.7188905 -0.5264837 -0.3262252 -0.4618332 -1.9391888 28 O -1.7664119 0.2463671 0.2820721 0.3823022 -2.7188905 0.5264837 0.3262252 0.4618332 -1.9391888 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 10 ] 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: 0.61, Number of G-points: 285, Lambda: 0.12 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: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 1.718 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.704 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.191 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.514 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 8.358 ( 0.000 0.000 0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 9.071 ( 0.000 0.000 0.000) 0.000 9.359 ( 0.000 0.000 0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.282 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 10.544 ( 0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 11.186 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.526 ( 0.000 0.000 0.000) 0.000 11.899 ( 0.000 0.000 0.000) 0.000 12.242 ( 0.000 0.000 0.000) 0.000 12.246 ( 0.000 0.000 0.000) 0.000 12.616 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.878 ( 0.000 0.000 0.000) 0.000 12.900 ( 0.000 0.000 0.000) 0.000 12.983 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.228 ( 0.000 0.000 0.000) 0.000 13.443 ( 0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 14.275 ( 0.000 0.000 0.000) 0.000 14.595 ( 0.000 0.000 0.000) 0.000 14.794 ( 0.000 0.000 0.000) 0.000 14.984 ( 0.000 0.000 0.000) 0.000 16.020 ( 0.000 0.000 0.000) 0.000 17.027 ( 0.000 0.000 0.000) 0.000 18.769 ( 0.000 0.000 0.000) 0.000 18.782 ( 0.000 0.000 0.000) 0.000 18.784 ( 0.000 0.000 0.000) 0.000 18.808 ( 0.000 0.000 0.000) 0.000 20.494 ( 0.000 0.000 0.000) 0.000 20.665 ( 0.000 0.000 0.000) 0.000 21.646 ( 0.000 0.000 0.000) 0.000 21.847 ( 0.000 0.000 0.000) 0.000 22.407 ( 0.000 0.000 0.000) 0.000 22.464 ( 0.000 0.000 0.000) 0.000 22.629 ( 0.000 0.000 0.000) 0.000 22.677 ( 0.000 0.000 0.000) 0.000 22.703 ( 0.000 0.000 0.000) 0.000 22.845 ( 0.000 0.000 0.000) 0.000 23.795 ( 0.000 0.000 0.000) 0.000 24.713 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 37.657 0.000 0.000) 37.657 0.721 ( 36.510 0.000 0.000) 36.510 1.295 ( 66.057 0.000 0.000) 66.057 1.693 ( -2.649 0.000 0.000) 2.649 2.061 ( 0.294 0.000 0.000) 0.294 2.547 ( -17.578 0.000 0.000) 17.578 2.785 ( -16.027 0.000 0.000) 16.027 3.408 ( 3.659 0.000 0.000) 3.659 3.687 ( -4.807 0.000 0.000) 4.807 3.988 ( 12.082 0.000 0.000) 12.082 4.098 ( 13.685 0.000 0.000) 13.685 4.316 ( -27.450 0.000 0.000) 27.450 4.516 ( -5.362 0.000 0.000) 5.362 4.523 ( 10.146 0.000 0.000) 10.146 4.631 ( -6.678 0.000 0.000) 6.678 5.329 ( 16.403 0.000 0.000) 16.403 5.708 ( 0.974 0.000 0.000) 0.974 5.739 ( -13.075 0.000 0.000) 13.075 5.765 ( 0.151 0.000 0.000) 0.151 5.937 ( -6.486 0.000 0.000) 6.486 6.463 ( 2.512 0.000 0.000) 2.512 6.654 ( -2.496 0.000 0.000) 2.496 6.703 ( -0.401 0.000 0.000) 0.401 6.729 ( 4.404 0.000 0.000) 4.404 6.876 ( -24.628 0.000 0.000) 24.628 7.037 ( 4.682 0.000 0.000) 4.682 7.124 ( -7.023 0.000 0.000) 7.023 7.493 ( -4.683 0.000 0.000) 4.683 7.515 ( 0.064 0.000 0.000) 0.064 7.538 ( -1.648 0.000 0.000) 1.648 7.779 ( 11.317 0.000 0.000) 11.317 7.900 ( 5.206 0.000 0.000) 5.206 8.317 ( -4.667 0.000 0.000) 4.667 8.370 ( -6.163 0.000 0.000) 6.163 8.549 ( 6.707 0.000 0.000) 6.707 8.888 ( 1.189 0.000 0.000) 1.189 8.896 ( 9.517 0.000 0.000) 9.517 9.133 ( -0.549 0.000 0.000) 0.549 9.385 ( 2.392 0.000 0.000) 2.392 9.823 ( 6.118 0.000 0.000) 6.118 9.941 ( -2.853 0.000 0.000) 2.853 10.047 ( -1.069 0.000 0.000) 1.069 10.346 ( 6.746 0.000 0.000) 6.746 10.566 ( 2.351 0.000 0.000) 2.351 10.622 ( 11.016 0.000 0.000) 11.016 10.662 ( -1.815 0.000 0.000) 1.815 11.192 ( 1.545 0.000 0.000) 1.545 11.219 ( -4.261 0.000 0.000) 4.261 11.298 ( -18.046 0.000 0.000) 18.046 12.078 ( 13.131 0.000 0.000) 13.131 12.137 ( -4.234 0.000 0.000) 4.234 12.264 ( 1.942 0.000 0.000) 1.942 12.497 ( -21.944 0.000 0.000) 21.944 12.635 ( -5.818 0.000 0.000) 5.818 12.655 ( 4.125 0.000 0.000) 4.125 12.971 ( -2.440 0.000 0.000) 2.440 12.972 ( 6.919 0.000 0.000) 6.919 13.184 ( 6.751 0.000 0.000) 6.751 13.249 ( 2.268 0.000 0.000) 2.268 13.425 ( -1.825 0.000 0.000) 1.825 14.009 ( 1.969 0.000 0.000) 1.969 14.139 ( 7.881 0.000 0.000) 7.881 14.261 ( 0.068 0.000 0.000) 0.068 14.752 ( -4.388 0.000 0.000) 4.388 14.762 ( 0.773 0.000 0.000) 0.773 14.949 ( -3.550 0.000 0.000) 3.550 17.045 ( 1.810 0.000 0.000) 1.810 17.193 ( -1.824 0.000 0.000) 1.824 18.771 ( 0.133 0.000 0.000) 0.133 18.781 ( -0.119 0.000 0.000) 0.119 18.786 ( 0.242 0.000 0.000) 0.242 18.806 ( -0.222 0.000 0.000) 0.222 20.511 ( 1.757 0.000 0.000) 1.757 20.650 ( -1.594 0.000 0.000) 1.594 21.877 ( 3.179 0.000 0.000) 3.179 22.311 ( -8.969 0.000 0.000) 8.969 22.405 ( -0.268 0.000 0.000) 0.268 22.426 ( -1.905 0.000 0.000) 1.905 22.630 ( -0.431 0.000 0.000) 0.431 22.697 ( -0.689 0.000 0.000) 0.689 23.040 ( 14.482 0.000 0.000) 14.482 23.731 ( -6.623 0.000 0.000) 6.623 24.747 ( 3.445 0.000 0.000) 3.445 24.979 ( -2.401 0.000 0.000) 2.401 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 24.706 0.000 0.000) 24.706 1.401 ( 34.370 0.000 0.000) 34.370 1.606 ( -7.826 0.000 0.000) 7.826 1.964 ( -20.232 0.000 0.000) 20.232 2.125 ( 8.607 0.000 0.000) 8.607 2.419 ( -20.565 0.000 0.000) 20.565 2.621 ( 51.081 0.000 0.000) 51.081 3.496 ( 5.305 0.000 0.000) 5.305 3.593 ( -46.734 0.000 0.000) 46.734 3.596 ( -5.137 0.000 0.000) 5.137 4.228 ( 12.987 0.000 0.000) 12.987 4.355 ( 10.571 0.000 0.000) 10.571 4.459 ( -11.159 0.000 0.000) 11.159 4.469 ( -2.786 0.000 0.000) 2.786 4.819 ( 22.398 0.000 0.000) 22.398 5.321 ( -27.436 0.000 0.000) 27.436 5.621 ( 12.098 0.000 0.000) 12.098 5.732 ( 1.480 0.000 0.000) 1.480 5.757 ( -0.997 0.000 0.000) 0.997 5.804 ( -7.676 0.000 0.000) 7.676 6.558 ( 6.974 0.000 0.000) 6.974 6.562 ( -5.092 0.000 0.000) 5.092 6.562 ( -7.351 0.000 0.000) 7.351 6.670 ( -3.761 0.000 0.000) 3.761 6.821 ( 5.473 0.000 0.000) 5.473 6.957 ( -9.185 0.000 0.000) 9.185 7.185 ( 9.780 0.000 0.000) 9.780 7.364 ( -8.626 0.000 0.000) 8.626 7.515 ( -0.067 0.000 0.000) 0.067 7.517 ( -0.478 0.000 0.000) 0.478 7.984 ( 10.896 0.000 0.000) 10.896 8.038 ( 9.031 0.000 0.000) 9.031 8.181 ( -9.470 0.000 0.000) 9.470 8.217 ( -9.475 0.000 0.000) 9.475 8.702 ( 8.751 0.000 0.000) 8.751 8.847 ( -5.786 0.000 0.000) 5.786 9.051 ( 6.225 0.000 0.000) 6.225 9.124 ( -1.576 0.000 0.000) 1.576 9.508 ( 11.426 0.000 0.000) 11.426 9.767 ( -13.909 0.000 0.000) 13.909 9.938 ( 5.320 0.000 0.000) 5.320 10.013 ( -2.711 0.000 0.000) 2.711 10.511 ( 8.424 0.000 0.000) 8.424 10.612 ( -3.512 0.000 0.000) 3.512 10.660 ( 9.581 0.000 0.000) 9.581 10.935 ( 16.183 0.000 0.000) 16.183 10.944 ( -18.511 0.000 0.000) 18.511 11.120 ( -6.224 0.000 0.000) 6.224 11.318 ( 15.682 0.000 0.000) 15.682 11.785 ( -28.544 0.000 0.000) 28.544 12.299 ( 1.376 0.000 0.000) 1.376 12.310 ( 11.145 0.000 0.000) 11.145 12.316 ( -1.199 0.000 0.000) 1.199 12.496 ( -8.724 0.000 0.000) 8.724 12.762 ( 6.751 0.000 0.000) 6.751 12.888 ( -6.111 0.000 0.000) 6.111 13.118 ( 7.467 0.000 0.000) 7.467 13.217 ( -2.392 0.000 0.000) 2.392 13.309 ( 3.742 0.000 0.000) 3.742 13.377 ( -3.270 0.000 0.000) 3.270 14.065 ( 3.867 0.000 0.000) 3.867 14.146 ( -4.186 0.000 0.000) 4.186 14.418 ( 12.523 0.000 0.000) 12.523 14.627 ( -9.065 0.000 0.000) 9.065 14.794 ( 2.801 0.000 0.000) 2.801 14.866 ( -4.648 0.000 0.000) 4.648 17.090 ( 2.907 0.000 0.000) 2.907 17.147 ( -2.917 0.000 0.000) 2.917 18.774 ( 0.208 0.000 0.000) 0.208 18.778 ( -0.199 0.000 0.000) 0.199 18.793 ( 0.382 0.000 0.000) 0.382 18.800 ( -0.370 0.000 0.000) 0.370 20.555 ( 2.798 0.000 0.000) 2.798 20.609 ( -2.702 0.000 0.000) 2.702 21.968 ( 6.630 0.000 0.000) 6.630 22.123 ( -9.690 0.000 0.000) 9.690 22.400 ( -0.090 0.000 0.000) 0.090 22.404 ( -0.596 0.000 0.000) 0.596 22.648 ( 1.604 0.000 0.000) 1.604 22.677 ( -1.362 0.000 0.000) 1.362 23.315 ( 14.190 0.000 0.000) 14.190 23.558 ( -11.376 0.000 0.000) 11.376 24.828 ( 4.783 0.000 0.000) 4.783 24.915 ( -4.201 0.000 0.000) 4.201 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 33.610 0.000) 33.610 0.789 ( 0.000 37.460 0.000) 37.460 1.435 ( 0.000 65.968 0.000) 65.968 1.996 ( 0.000 24.147 0.000) 24.147 2.282 ( 0.000 14.949 0.000) 14.949 2.780 ( 0.000 4.158 0.000) 4.158 3.246 ( 0.000 25.230 0.000) 25.230 3.444 ( 0.000 3.814 0.000) 3.814 3.634 ( 0.000 -12.604 0.000) 12.604 3.648 ( 0.000 -13.073 0.000) 13.073 3.932 ( 0.000 4.198 0.000) 4.198 4.341 ( 0.000 -7.636 0.000) 7.636 4.343 ( 0.000 -12.402 0.000) 12.402 4.654 ( 0.000 -4.313 0.000) 4.313 4.833 ( 0.000 7.264 0.000) 7.264 5.099 ( 0.000 11.944 0.000) 11.944 5.196 ( 0.000 8.025 0.000) 8.025 5.848 ( 0.000 -0.358 0.000) 0.358 5.856 ( 0.000 6.446 0.000) 6.446 6.017 ( 0.000 7.427 0.000) 7.427 6.478 ( 0.000 -10.591 0.000) 10.591 6.571 ( 0.000 11.973 0.000) 11.973 6.739 ( 0.000 4.190 0.000) 4.190 6.913 ( 0.000 6.454 0.000) 6.454 6.948 ( 0.000 -4.576 0.000) 4.576 7.273 ( 0.000 2.236 0.000) 2.236 7.314 ( 0.000 -3.837 0.000) 3.837 7.491 ( 0.000 -1.548 0.000) 1.548 7.523 ( 0.000 -3.833 0.000) 3.833 7.876 ( 0.000 2.022 0.000) 2.022 7.939 ( 0.000 18.634 0.000) 18.634 8.247 ( 0.000 -8.695 0.000) 8.695 8.384 ( 0.000 -4.234 0.000) 4.234 8.461 ( 0.000 -1.834 0.000) 1.834 8.731 ( 0.000 7.608 0.000) 7.608 8.758 ( 0.000 -1.945 0.000) 1.945 8.907 ( 0.000 4.367 0.000) 4.367 9.070 ( 0.000 -0.060 0.000) 0.060 9.347 ( 0.000 -1.198 0.000) 1.198 9.771 ( 0.000 -0.516 0.000) 0.516 9.899 ( 0.000 -3.092 0.000) 3.092 10.109 ( 0.000 3.646 0.000) 3.646 10.428 ( 0.000 -10.680 0.000) 10.680 10.458 ( 0.000 -1.140 0.000) 1.140 10.535 ( 0.000 0.897 0.000) 0.897 10.627 ( 0.000 -1.266 0.000) 1.266 10.887 ( 0.000 -0.742 0.000) 0.742 11.150 ( 0.000 -6.773 0.000) 6.773 11.459 ( 0.000 15.272 0.000) 15.272 11.611 ( 0.000 8.596 0.000) 8.596 11.753 ( 0.000 -18.658 0.000) 18.658 12.002 ( 0.000 -9.372 0.000) 9.372 12.102 ( 0.000 -13.821 0.000) 13.821 12.647 ( 0.000 -1.956 0.000) 1.956 12.659 ( 0.000 -12.578 0.000) 12.578 13.022 ( 0.000 7.659 0.000) 7.659 13.042 ( 0.000 5.429 0.000) 5.429 13.085 ( 0.000 -0.934 0.000) 0.934 13.283 ( 0.000 7.358 0.000) 7.358 13.387 ( 0.000 -4.958 0.000) 4.958 14.119 ( 0.000 11.465 0.000) 11.465 14.239 ( 0.000 -3.284 0.000) 3.284 14.529 ( 0.000 -6.196 0.000) 6.196 14.828 ( 0.000 3.762 0.000) 3.762 14.946 ( 0.000 -3.461 0.000) 3.461 15.257 ( 0.000 2.732 0.000) 2.732 15.980 ( 0.000 -3.701 0.000) 3.701 16.805 ( 0.000 -17.707 0.000) 17.707 18.895 ( 0.000 10.331 0.000) 10.331 18.902 ( 0.000 8.730 0.000) 8.730 19.055 ( 0.000 21.957 0.000) 21.957 20.457 ( 0.000 -3.554 0.000) 3.554 20.656 ( 0.000 -0.779 0.000) 0.779 21.675 ( 0.000 2.643 0.000) 2.643 21.799 ( 0.000 -4.612 0.000) 4.612 22.413 ( 0.000 0.541 0.000) 0.541 22.416 ( 0.000 -4.482 0.000) 4.482 22.631 ( 0.000 0.198 0.000) 0.198 22.668 ( 0.000 -0.678 0.000) 0.678 22.686 ( 0.000 -1.594 0.000) 1.594 22.850 ( 0.000 0.561 0.000) 0.561 22.964 ( 0.000 1.110 0.000) 1.110 23.806 ( 0.000 1.198 0.000) 1.198 24.642 ( 0.000 -6.453 0.000) 6.453 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 26.278 21.947 0.000) 34.237 1.117 ( 29.011 24.468 0.000) 37.952 1.794 ( 25.870 42.197 0.000) 49.495 1.984 ( -1.160 24.940 0.000) 24.967 2.328 ( 10.189 22.655 0.000) 24.840 2.587 ( -15.748 5.436 0.000) 16.660 2.973 ( -23.033 13.139 0.000) 26.517 3.503 ( 4.571 6.214 0.000) 7.714 3.607 ( -0.347 -7.732 0.000) 7.740 3.834 ( 10.441 -6.521 0.000) 12.310 4.041 ( 9.079 -2.423 0.000) 9.397 4.373 ( -0.184 -5.454 0.000) 5.457 4.414 ( 7.922 -9.550 0.000) 12.408 4.516 ( -21.485 7.027 0.000) 22.605 4.702 ( 0.340 2.791 0.000) 2.812 5.293 ( 15.184 -8.012 0.000) 17.168 5.383 ( 10.925 3.250 0.000) 11.399 5.687 ( -14.373 -1.598 0.000) 14.462 5.899 ( 0.268 7.551 0.000) 7.555 5.980 ( -3.764 7.362 0.000) 8.268 6.474 ( -0.170 -9.968 0.000) 9.969 6.514 ( -4.210 4.930 0.000) 6.483 6.767 ( -0.047 3.236 0.000) 3.236 6.772 ( -8.801 -1.405 0.000) 8.913 6.966 ( -14.966 8.777 0.000) 17.350 7.080 ( 8.007 3.321 0.000) 8.669 7.355 ( 3.442 -1.458 0.000) 3.738 7.507 ( -1.050 -2.616 0.000) 2.819 7.623 ( 2.065 1.251 0.000) 2.414 7.825 ( 1.151 4.004 0.000) 4.166 7.856 ( -33.029 22.873 0.000) 40.176 8.048 ( 7.456 13.235 0.000) 15.190 8.297 ( -6.623 -1.456 0.000) 6.781 8.465 ( -6.392 11.418 0.000) 13.086 8.526 ( 6.660 -2.096 0.000) 6.982 8.876 ( 9.635 -1.858 0.000) 9.813 8.913 ( -0.513 2.405 0.000) 2.459 9.099 ( 0.714 -2.467 0.000) 2.568 9.369 ( 2.873 -1.215 0.000) 3.119 9.821 ( 4.932 -1.475 0.000) 5.148 9.902 ( -1.983 -3.000 0.000) 3.596 10.088 ( -3.126 2.202 0.000) 3.823 10.362 ( 2.066 0.897 0.000) 2.253 10.459 ( 3.639 -12.239 0.000) 12.769 10.554 ( -0.464 0.219 0.000) 0.513 10.652 ( 5.060 -0.124 0.000) 5.061 11.037 ( -10.671 -11.542 0.000) 15.720 11.208 ( 3.267 -7.375 0.000) 8.066 11.489 ( -5.054 11.577 0.000) 12.632 11.737 ( 20.302 -13.183 0.000) 24.207 11.951 ( 10.840 -19.402 0.000) 22.225 12.025 ( 4.352 -6.156 0.000) 7.539 12.115 ( -4.814 -9.476 0.000) 10.629 12.440 ( -10.636 -13.362 0.000) 17.078 12.749 ( 9.634 1.469 0.000) 9.745 13.043 ( 0.408 2.505 0.000) 2.538 13.050 ( 2.972 5.920 0.000) 6.624 13.217 ( 1.039 -0.497 0.000) 1.152 13.370 ( -1.668 -4.745 0.000) 5.030 13.397 ( 12.115 7.652 0.000) 14.329 14.123 ( 0.532 10.025 0.000) 10.039 14.223 ( -0.421 -3.561 0.000) 3.586 14.366 ( -13.094 1.653 0.000) 13.198 14.774 ( -5.950 1.660 0.000) 6.177 14.927 ( -1.807 -1.084 0.000) 2.108 14.948 ( -10.566 14.106 0.000) 17.625 16.414 ( 23.089 -27.529 0.000) 35.930 16.802 ( -0.386 -18.891 0.000) 18.895 18.891 ( -0.307 10.011 0.000) 10.016 18.898 ( -0.327 8.796 0.000) 8.802 19.091 ( 3.779 24.254 0.000) 24.547 20.192 ( -54.877 47.359 0.000) 72.487 20.545 ( -8.653 12.714 0.000) 15.379 20.641 ( -1.549 -0.710 0.000) 1.704 21.831 ( 3.375 -4.431 0.000) 5.570 22.287 ( -9.741 -2.644 0.000) 10.094 22.409 ( -0.321 0.493 0.000) 0.588 22.436 ( -2.479 1.004 0.000) 2.675 22.623 ( -0.809 -0.667 0.000) 1.048 22.680 ( -0.597 -1.514 0.000) 1.628 23.051 ( 14.789 1.006 0.000) 14.823 23.744 ( -6.458 1.358 0.000) 6.599 24.223 ( 42.285 -41.047 0.000) 58.931 24.659 ( 1.601 -7.902 0.000) 8.062 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 29.345 11.292 0.000) 31.443 1.691 ( 27.102 23.204 0.000) 35.678 1.950 ( -3.254 28.548 0.000) 28.733 1.966 ( -8.802 10.663 0.000) 13.826 2.202 ( -8.823 7.714 0.000) 11.720 2.482 ( -27.227 4.987 0.000) 27.680 2.975 ( 43.474 27.999 0.000) 51.711 3.574 ( 2.660 4.907 0.000) 5.582 3.602 ( -0.575 -1.213 0.000) 1.342 3.735 ( -31.304 11.403 0.000) 33.316 4.139 ( -0.311 -1.966 0.000) 1.991 4.163 ( 1.607 -9.381 0.000) 9.518 4.516 ( 6.448 0.726 0.000) 6.489 4.598 ( 2.007 1.777 0.000) 2.681 4.749 ( 16.112 -2.218 0.000) 16.264 5.230 ( -27.674 -7.124 0.000) 28.576 5.524 ( 8.560 -10.858 0.000) 13.826 5.572 ( 3.681 -2.341 0.000) 4.362 5.864 ( -2.350 7.636 0.000) 7.989 5.892 ( -4.724 7.345 0.000) 8.733 6.466 ( -0.636 -4.948 0.000) 4.989 6.470 ( -0.416 -8.724 0.000) 8.734 6.637 ( -4.153 0.166 0.000) 4.157 6.646 ( -5.375 3.775 0.000) 6.569 6.999 ( 11.093 15.739 0.000) 19.256 7.189 ( -1.159 7.229 0.000) 7.322 7.392 ( -0.453 3.137 0.000) 3.170 7.407 ( -10.827 22.264 0.000) 24.757 7.508 ( 0.614 -0.742 0.000) 0.963 7.561 ( -4.928 3.609 0.000) 6.108 7.951 ( 9.840 0.794 0.000) 9.872 8.142 ( -9.746 -0.184 0.000) 9.748 8.197 ( 8.324 11.088 0.000) 13.865 8.349 ( -7.301 9.261 0.000) 11.793 8.683 ( 9.123 -1.683 0.000) 9.277 8.840 ( -6.905 -0.552 0.000) 6.927 9.033 ( 6.255 -1.638 0.000) 6.466 9.105 ( -1.280 -1.688 0.000) 2.119 9.499 ( 11.512 -0.606 0.000) 11.528 9.753 ( -13.148 -1.153 0.000) 13.198 9.927 ( 5.473 -2.219 0.000) 5.906 10.014 ( -4.011 -1.095 0.000) 4.158 10.479 ( 8.525 -3.204 0.000) 9.108 10.509 ( 1.357 -8.742 0.000) 8.847 10.545 ( 0.721 -6.880 0.000) 6.918 10.715 ( -9.939 -10.431 0.000) 14.408 10.975 ( 13.178 -4.668 0.000) 13.980 11.173 ( -5.341 -0.638 0.000) 5.379 11.483 ( 5.972 13.151 0.000) 14.443 11.764 ( -20.488 0.336 0.000) 20.491 11.976 ( 3.318 -13.211 0.000) 13.621 12.009 ( -0.030 -14.502 0.000) 14.502 12.226 ( 11.099 -13.071 0.000) 17.147 12.371 ( -3.659 -17.029 0.000) 17.418 12.938 ( 8.324 9.077 0.000) 12.316 13.031 ( -2.226 7.488 0.000) 7.812 13.141 ( 6.788 0.987 0.000) 6.860 13.218 ( -0.318 -2.828 0.000) 2.845 13.339 ( -0.625 -2.283 0.000) 2.367 13.421 ( -7.723 9.357 0.000) 12.132 14.144 ( 1.875 6.530 0.000) 6.793 14.202 ( -4.504 3.474 0.000) 5.689 14.348 ( 12.862 -6.159 0.000) 14.260 14.602 ( -12.145 -2.697 0.000) 12.441 14.874 ( -0.313 7.745 0.000) 7.751 14.891 ( -1.695 3.528 0.000) 3.914 16.693 ( 8.234 -27.259 0.000) 28.475 16.781 ( -2.242 -22.305 0.000) 22.417 18.888 ( 0.005 9.454 0.000) 9.454 18.891 ( -0.348 9.029 0.000) 9.036 19.206 ( 9.040 31.400 0.000) 32.675 19.478 ( -22.263 44.779 0.000) 50.008 20.550 ( 2.461 0.282 0.000) 2.477 20.600 ( -2.605 -0.472 0.000) 2.648 21.928 ( 6.979 -3.930 0.000) 8.009 22.090 ( -10.095 -3.250 0.000) 10.605 22.404 ( -0.129 0.406 0.000) 0.426 22.409 ( -0.700 0.430 0.000) 0.821 22.637 ( 1.449 -1.083 0.000) 1.809 22.663 ( -1.229 -1.322 0.000) 1.805 23.330 ( 14.344 1.452 0.000) 14.418 23.574 ( -11.312 1.557 0.000) 11.419 24.624 ( 8.238 -22.912 0.000) 24.348 24.683 ( 0.166 -12.615 0.000) 12.616 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 36.041 0.000) 36.041 1.559 ( 0.000 35.913 0.000) 35.913 2.589 ( 0.000 28.022 0.000) 28.022 2.626 ( 0.000 32.516 0.000) 32.516 2.717 ( 0.000 32.133 0.000) 32.133 2.932 ( 0.000 16.091 0.000) 16.091 3.326 ( 0.000 -15.167 0.000) 15.167 3.372 ( 0.000 -8.411 0.000) 8.411 3.427 ( 0.000 -4.749 0.000) 4.749 3.853 ( 0.000 27.525 0.000) 27.525 3.991 ( 0.000 -20.423 0.000) 20.423 4.092 ( 0.000 7.373 0.000) 7.373 4.129 ( 0.000 -11.354 0.000) 11.354 4.530 ( 0.000 -5.971 0.000) 5.971 5.001 ( 0.000 7.018 0.000) 7.018 5.349 ( 0.000 6.484 0.000) 6.484 5.462 ( 0.000 21.748 0.000) 21.748 5.750 ( 0.000 -10.523 0.000) 10.523 5.949 ( 0.000 2.172 0.000) 2.172 6.103 ( 0.000 -2.751 0.000) 2.751 6.372 ( 0.000 3.565 0.000) 3.565 6.819 ( 0.000 -7.347 0.000) 7.347 6.868 ( 0.000 9.622 0.000) 9.622 6.908 ( 0.000 17.682 0.000) 17.682 7.028 ( 0.000 4.651 0.000) 4.651 7.350 ( 0.000 5.419 0.000) 5.419 7.381 ( 0.000 -10.046 0.000) 10.046 7.429 ( 0.000 12.597 0.000) 12.597 7.483 ( 0.000 1.287 0.000) 1.287 7.931 ( 0.000 3.508 0.000) 3.508 8.051 ( 0.000 -9.059 0.000) 9.059 8.269 ( 0.000 -6.317 0.000) 6.317 8.336 ( 0.000 18.991 0.000) 18.991 8.406 ( 0.000 -3.163 0.000) 3.163 8.707 ( 0.000 -2.075 0.000) 2.075 8.890 ( 0.000 6.160 0.000) 6.160 9.072 ( 0.000 0.346 0.000) 0.346 9.098 ( 0.000 15.318 0.000) 15.318 9.311 ( 0.000 -2.156 0.000) 2.156 9.677 ( 0.000 -8.302 0.000) 8.302 9.830 ( 0.000 -2.923 0.000) 2.923 10.055 ( 0.000 -11.154 0.000) 11.154 10.252 ( 0.000 -3.973 0.000) 3.973 10.426 ( 0.000 -1.916 0.000) 1.916 10.592 ( 0.000 3.081 0.000) 3.081 10.693 ( 0.000 6.172 0.000) 6.172 10.889 ( 0.000 -14.898 0.000) 14.898 10.972 ( 0.000 10.008 0.000) 10.008 11.233 ( 0.000 -26.949 0.000) 26.949 11.684 ( 0.000 -25.111 0.000) 25.111 11.821 ( 0.000 18.369 0.000) 18.369 11.829 ( 0.000 10.795 0.000) 10.795 11.871 ( 0.000 -6.274 0.000) 6.274 12.391 ( 0.000 -13.516 0.000) 13.516 12.541 ( 0.000 -7.446 0.000) 7.446 12.980 ( 0.000 -7.553 0.000) 7.553 13.115 ( 0.000 1.390 0.000) 1.390 13.201 ( 0.000 9.556 0.000) 9.556 13.262 ( 0.000 -6.288 0.000) 6.288 13.467 ( 0.000 8.721 0.000) 8.721 14.145 ( 0.000 -5.458 0.000) 5.458 14.346 ( 0.000 -10.907 0.000) 10.907 14.383 ( 0.000 11.190 0.000) 11.190 14.851 ( 0.000 -5.243 0.000) 5.243 14.985 ( 0.000 11.885 0.000) 11.885 15.336 ( 0.000 4.759 0.000) 4.759 15.874 ( 0.000 -6.133 0.000) 6.133 16.408 ( 0.000 -18.792 0.000) 18.792 19.154 ( 0.000 14.834 0.000) 14.834 19.182 ( 0.000 16.049 0.000) 16.049 19.540 ( 0.000 21.296 0.000) 21.296 20.341 ( 0.000 -7.582 0.000) 7.582 20.651 ( 0.000 1.196 0.000) 1.196 21.651 ( 0.000 -9.682 0.000) 9.682 21.751 ( 0.000 4.502 0.000) 4.502 22.291 ( 0.000 -7.055 0.000) 7.055 22.432 ( 0.000 1.302 0.000) 1.302 22.636 ( 0.000 0.240 0.000) 0.240 22.640 ( 0.000 -2.634 0.000) 2.634 22.655 ( 0.000 -0.496 0.000) 0.496 22.870 ( 0.000 1.337 0.000) 1.337 22.983 ( 0.000 0.430 0.000) 0.430 23.851 ( 0.000 3.183 0.000) 3.183 24.466 ( 0.000 -9.656 0.000) 9.656 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 13.454 30.763 0.000) 33.576 1.668 ( 12.211 28.162 0.000) 30.696 2.578 ( -1.217 26.697 0.000) 26.725 2.596 ( -4.246 26.014 0.000) 26.359 2.744 ( -10.265 16.601 0.000) 19.519 3.022 ( 23.596 35.793 0.000) 42.871 3.130 ( -20.571 5.121 0.000) 21.199 3.332 ( 1.328 -16.042 0.000) 16.097 3.512 ( 5.187 -5.720 0.000) 7.721 3.963 ( 5.997 9.260 0.000) 11.032 4.105 ( 1.379 6.299 0.000) 6.448 4.126 ( 13.665 -10.001 0.000) 16.933 4.170 ( 6.924 -11.109 0.000) 13.090 4.654 ( 10.023 -5.559 0.000) 11.462 4.736 ( -21.544 10.733 0.000) 24.070 5.390 ( -3.097 -2.553 0.000) 4.014 5.448 ( -1.092 16.906 0.000) 16.941 5.677 ( -6.547 -2.136 0.000) 6.886 5.939 ( -1.461 -2.286 0.000) 2.713 6.059 ( -4.892 -3.889 0.000) 6.249 6.369 ( -0.196 3.536 0.000) 3.542 6.708 ( -15.088 13.224 0.000) 20.063 6.720 ( -5.332 -2.467 0.000) 5.875 6.896 ( -2.605 8.982 0.000) 9.352 7.135 ( 7.732 0.885 0.000) 7.783 7.210 ( -1.856 13.118 0.000) 13.249 7.425 ( 4.173 -4.389 0.000) 6.056 7.456 ( 2.182 9.560 0.000) 9.806 7.643 ( 6.345 1.856 0.000) 6.611 7.926 ( 1.031 5.428 0.000) 5.525 7.972 ( -8.398 -3.735 0.000) 9.191 8.244 ( -2.795 -3.757 0.000) 4.683 8.381 ( 3.677 16.060 0.000) 16.476 8.474 ( 7.652 -0.578 0.000) 7.673 8.800 ( -9.056 15.502 0.000) 17.953 8.822 ( 9.605 -3.170 0.000) 10.115 8.987 ( -7.490 3.941 0.000) 8.463 9.078 ( 0.094 2.857 0.000) 2.858 9.351 ( 4.538 0.352 0.000) 4.552 9.713 ( 3.705 -8.685 0.000) 9.442 9.836 ( -0.617 -2.981 0.000) 3.044 10.040 ( -3.875 -8.303 0.000) 9.163 10.223 ( 0.035 -8.236 0.000) 8.236 10.373 ( -2.330 0.247 0.000) 2.343 10.578 ( -4.272 0.030 0.000) 4.272 10.678 ( -7.441 -10.473 0.000) 12.848 10.764 ( -0.674 -0.546 0.000) 0.868 11.058 ( 5.551 0.008 0.000) 5.551 11.406 ( 12.550 -22.035 0.000) 25.358 11.702 ( 1.817 -17.977 0.000) 18.069 11.807 ( -1.242 6.434 0.000) 6.553 11.905 ( 2.993 -3.277 0.000) 4.438 11.906 ( 6.730 7.709 0.000) 10.233 12.214 ( -15.298 -8.767 0.000) 17.632 12.683 ( 13.318 -6.948 0.000) 15.021 12.977 ( 0.648 -7.205 0.000) 7.234 13.134 ( 1.948 1.694 0.000) 2.582 13.259 ( 0.191 -5.117 0.000) 5.121 13.284 ( 1.805 6.058 0.000) 6.321 13.562 ( 10.509 8.163 0.000) 13.307 14.111 ( -3.371 -7.199 0.000) 7.949 14.271 ( -5.516 -7.883 0.000) 9.621 14.348 ( -3.447 9.321 0.000) 9.938 14.753 ( -9.347 -4.008 0.000) 10.170 15.016 ( 2.216 10.854 0.000) 11.078 15.204 ( -8.547 10.486 0.000) 13.528 16.035 ( 11.923 -12.768 0.000) 17.470 16.391 ( -1.826 -18.979 0.000) 19.067 19.152 ( -0.175 14.879 0.000) 14.880 19.171 ( -0.921 15.807 0.000) 15.834 19.608 ( 7.168 21.730 0.000) 22.882 20.316 ( -3.821 -6.448 0.000) 7.495 20.643 ( -0.801 1.970 0.000) 2.127 21.172 ( -39.674 25.069 0.000) 46.931 21.688 ( 3.970 -9.322 0.000) 10.132 22.193 ( -9.832 -6.300 0.000) 11.677 22.427 ( -0.419 1.265 0.000) 1.333 22.465 ( -4.241 1.697 0.000) 4.568 22.603 ( -1.848 -1.210 0.000) 2.209 22.637 ( -0.416 -2.561 0.000) 2.594 23.083 ( 15.728 2.075 0.000) 15.865 23.625 ( 37.579 -18.349 0.000) 41.819 23.792 ( -6.169 3.329 0.000) 7.010 24.451 ( -1.941 -11.185 0.000) 11.352 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 17.721 19.838 0.000) 26.601 1.968 ( 13.865 12.483 0.000) 18.656 2.403 ( -10.024 17.115 0.000) 19.835 2.515 ( -8.540 14.236 0.000) 16.601 2.636 ( -0.683 35.043 0.000) 35.050 2.736 ( -16.037 29.139 0.000) 33.260 3.394 ( 5.019 -15.875 0.000) 16.650 3.467 ( 4.146 -3.480 0.000) 5.413 3.617 ( 21.700 14.415 0.000) 26.051 3.999 ( -6.177 6.160 0.000) 8.724 4.134 ( 1.565 5.792 0.000) 6.000 4.243 ( -13.206 6.371 0.000) 14.663 4.444 ( 18.505 -7.643 0.000) 20.021 4.481 ( 7.942 1.798 0.000) 8.143 4.783 ( 3.783 -0.653 0.000) 3.839 5.097 ( -24.747 -5.023 0.000) 25.251 5.469 ( 4.598 5.421 0.000) 7.109 5.578 ( -5.043 2.291 0.000) 5.539 5.902 ( -1.155 -5.371 0.000) 5.493 5.945 ( -5.576 -5.501 0.000) 7.832 6.377 ( 1.686 3.669 0.000) 4.038 6.464 ( -8.585 7.391 0.000) 11.328 6.700 ( 2.915 5.730 0.000) 6.429 6.796 ( -6.417 10.095 0.000) 11.962 7.262 ( 4.875 0.033 0.000) 4.876 7.279 ( 3.949 7.781 0.000) 8.726 7.508 ( 4.159 8.082 0.000) 9.089 7.513 ( 4.304 2.429 0.000) 4.942 7.668 ( -1.297 6.953 0.000) 7.073 7.768 ( -11.508 8.987 0.000) 14.602 8.016 ( 7.575 3.874 0.000) 8.508 8.156 ( -6.509 0.285 0.000) 6.516 8.482 ( 7.017 16.128 0.000) 17.589 8.629 ( -8.384 18.034 0.000) 19.888 8.647 ( 9.802 -0.492 0.000) 9.814 8.828 ( -9.292 -0.320 0.000) 9.298 8.985 ( 6.758 -3.019 0.000) 7.402 9.067 ( -2.132 -1.579 0.000) 2.653 9.502 ( 11.481 1.638 0.000) 11.597 9.735 ( -11.000 0.008 0.000) 11.000 9.804 ( 5.591 -9.352 0.000) 10.896 9.914 ( -6.421 -8.501 0.000) 10.653 10.304 ( 6.441 -9.838 0.000) 11.759 10.365 ( 0.998 -5.202 0.000) 5.297 10.464 ( -6.044 -4.094 0.000) 7.300 10.490 ( -8.174 -12.331 0.000) 14.794 10.901 ( 10.907 0.277 0.000) 10.910 11.071 ( -4.950 -4.034 0.000) 6.385 11.611 ( 8.862 -15.866 0.000) 18.173 11.719 ( -1.481 -17.742 0.000) 17.803 11.809 ( 1.794 3.663 0.000) 4.079 11.914 ( -10.257 9.063 0.000) 13.687 11.972 ( 3.675 -4.419 0.000) 5.748 12.011 ( -0.344 -9.189 0.000) 9.195 12.933 ( 9.499 -8.379 0.000) 12.666 12.996 ( 0.531 -8.418 0.000) 8.435 13.185 ( 3.323 2.885 0.000) 4.401 13.252 ( -3.460 4.790 0.000) 5.908 13.320 ( 8.856 -0.164 0.000) 8.858 13.574 ( -12.734 4.839 0.000) 13.623 14.182 ( 11.298 -7.280 0.000) 13.441 14.240 ( 4.637 -1.466 0.000) 4.863 14.271 ( -4.082 4.512 0.000) 6.084 14.516 ( -15.606 -4.893 0.000) 16.356 15.054 ( 1.844 11.809 0.000) 11.952 15.097 ( -3.302 12.539 0.000) 12.966 16.226 ( 7.921 -17.805 0.000) 19.487 16.337 ( -4.161 -19.097 0.000) 19.545 19.150 ( 0.019 15.046 0.000) 15.046 19.156 ( -0.588 15.375 0.000) 15.386 19.807 ( 14.061 21.227 0.000) 25.462 20.120 ( -17.080 10.295 0.000) 19.943 20.630 ( -0.062 5.349 0.000) 5.349 20.693 ( -10.147 17.812 0.000) 20.499 21.800 ( 7.994 -8.358 0.000) 11.566 21.983 ( -11.161 -7.101 0.000) 13.228 22.420 ( -0.226 1.170 0.000) 1.192 22.424 ( -0.884 1.130 0.000) 1.435 22.604 ( 1.019 -2.001 0.000) 2.246 22.624 ( -0.940 -2.358 0.000) 2.539 23.377 ( 14.894 3.048 0.000) 15.203 23.626 ( -11.297 3.439 0.000) 11.809 24.147 ( 18.528 -20.327 0.000) 27.505 24.374 ( -7.005 -15.343 0.000) 16.866 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.000 34.767 0.000) 34.767 2.275 ( 0.000 31.866 0.000) 31.866 2.861 ( 0.000 -1.336 0.000) 1.336 2.921 ( 0.000 4.612 0.000) 4.612 3.042 ( 0.000 -10.908 0.000) 10.908 3.174 ( 0.000 19.536 0.000) 19.536 3.305 ( 0.000 -5.893 0.000) 5.893 3.443 ( 0.000 4.237 0.000) 4.237 3.471 ( 0.000 -16.491 0.000) 16.491 3.613 ( 0.000 17.847 0.000) 17.847 4.041 ( 0.000 -12.444 0.000) 12.444 4.086 ( 0.000 16.170 0.000) 16.170 4.277 ( 0.000 10.160 0.000) 10.160 4.502 ( 0.000 1.895 0.000) 1.895 5.082 ( 0.000 0.659 0.000) 0.659 5.292 ( 0.000 -15.058 0.000) 15.058 5.659 ( 0.000 8.078 0.000) 8.078 5.929 ( 0.000 19.632 0.000) 19.632 5.954 ( 0.000 -1.826 0.000) 1.826 6.042 ( 0.000 0.267 0.000) 0.267 6.489 ( 0.000 5.142 0.000) 5.142 6.661 ( 0.000 -6.967 0.000) 6.967 7.078 ( 0.000 -1.406 0.000) 1.406 7.079 ( 0.000 8.281 0.000) 8.281 7.126 ( 0.000 -12.467 0.000) 12.467 7.176 ( 0.000 5.811 0.000) 5.811 7.505 ( 0.000 8.860 0.000) 8.860 7.568 ( 0.000 6.564 0.000) 6.564 7.723 ( 0.000 12.881 0.000) 12.881 7.922 ( 0.000 -1.791 0.000) 1.791 7.995 ( 0.000 0.335 0.000) 0.335 8.129 ( 0.000 -7.056 0.000) 7.056 8.372 ( 0.000 1.846 0.000) 1.846 8.551 ( 0.000 -1.483 0.000) 1.483 8.884 ( 0.000 22.476 0.000) 22.476 8.996 ( 0.000 4.363 0.000) 4.363 9.086 ( 0.000 0.694 0.000) 0.694 9.269 ( 0.000 -1.187 0.000) 1.187 9.466 ( 0.000 -7.091 0.000) 7.091 9.542 ( 0.000 22.585 0.000) 22.585 9.778 ( 0.000 -14.206 0.000) 14.206 9.802 ( 0.000 0.944 0.000) 0.944 10.173 ( 0.000 -4.781 0.000) 4.781 10.363 ( 0.000 -5.310 0.000) 5.310 10.398 ( 0.000 -20.317 0.000) 20.317 10.629 ( 0.000 1.126 0.000) 1.126 10.696 ( 0.000 -23.092 0.000) 23.092 11.036 ( 0.000 17.031 0.000) 17.031 11.112 ( 0.000 -27.364 0.000) 27.364 11.289 ( 0.000 18.633 0.000) 18.633 11.693 ( 0.000 -11.188 0.000) 11.188 12.032 ( 0.000 8.476 0.000) 8.476 12.076 ( 0.000 -16.693 0.000) 16.693 12.200 ( 0.000 17.337 0.000) 17.337 12.365 ( 0.000 -8.695 0.000) 8.695 12.789 ( 0.000 -10.647 0.000) 10.647 13.114 ( 0.000 -0.776 0.000) 0.776 13.151 ( 0.000 -3.817 0.000) 3.817 13.428 ( 0.000 11.739 0.000) 11.739 13.628 ( 0.000 6.207 0.000) 6.207 14.022 ( 0.000 -5.955 0.000) 5.955 14.095 ( 0.000 -12.149 0.000) 12.149 14.550 ( 0.000 5.523 0.000) 5.523 14.742 ( 0.000 -4.945 0.000) 4.945 15.306 ( 0.000 17.445 0.000) 17.445 15.451 ( 0.000 6.076 0.000) 6.076 15.734 ( 0.000 -7.036 0.000) 7.036 16.033 ( 0.000 -17.247 0.000) 17.247 19.495 ( 0.000 17.090 0.000) 17.090 19.521 ( 0.000 15.385 0.000) 15.385 19.838 ( 0.000 5.513 0.000) 5.513 20.137 ( 0.000 -11.999 0.000) 11.999 20.763 ( 0.000 10.634 0.000) 10.634 21.396 ( 0.000 -14.415 0.000) 14.415 21.858 ( 0.000 5.664 0.000) 5.664 22.136 ( 0.000 -7.448 0.000) 7.448 22.468 ( 0.000 2.148 0.000) 2.148 22.581 ( 0.000 -2.965 0.000) 2.965 22.640 ( 0.000 0.161 0.000) 0.161 22.647 ( 0.000 -0.278 0.000) 0.278 22.905 ( 0.000 1.986 0.000) 1.986 22.978 ( 0.000 -0.904 0.000) 0.904 23.942 ( 0.000 5.531 0.000) 5.531 24.262 ( 0.000 -9.454 0.000) 9.454 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 3.129 28.815 0.000) 28.984 2.268 ( 0.426 28.346 0.000) 28.350 2.864 ( -5.456 7.411 0.000) 9.203 2.866 ( -0.076 5.791 0.000) 5.791 2.990 ( -3.187 -14.876 0.000) 15.213 3.271 ( 4.886 21.510 0.000) 22.058 3.315 ( -0.336 -4.656 0.000) 4.668 3.443 ( 4.992 -5.199 0.000) 7.207 3.521 ( -0.531 20.336 0.000) 20.343 3.663 ( 8.291 -13.231 0.000) 15.614 4.129 ( 9.568 -5.519 0.000) 11.045 4.176 ( 8.036 13.839 0.000) 16.003 4.299 ( 2.123 6.186 0.000) 6.540 4.576 ( 7.412 -0.857 0.000) 7.462 4.898 ( -15.972 4.045 0.000) 16.476 5.198 ( -9.522 -15.752 0.000) 18.406 5.676 ( -0.001 5.948 0.000) 5.948 5.812 ( -10.186 14.609 0.000) 17.809 5.916 ( -4.192 -1.128 0.000) 4.341 5.957 ( -8.305 -2.026 0.000) 8.548 6.487 ( -0.212 4.855 0.000) 4.860 6.694 ( 4.771 -0.837 0.000) 4.844 6.958 ( -16.245 9.064 0.000) 18.602 7.065 ( -3.284 4.922 0.000) 5.917 7.078 ( 5.985 -3.820 0.000) 7.100 7.353 ( 14.747 -4.705 0.000) 15.480 7.492 ( -0.233 13.545 0.000) 13.547 7.684 ( -1.389 10.448 0.000) 10.540 7.716 ( 7.478 4.602 0.000) 8.781 7.888 ( -3.109 -0.921 0.000) 3.243 7.994 ( 0.069 -0.926 0.000) 0.929 8.136 ( 0.125 -6.677 0.000) 6.678 8.435 ( 7.311 2.391 0.000) 7.692 8.682 ( 11.327 -2.364 0.000) 11.571 8.902 ( 1.853 21.518 0.000) 21.598 8.994 ( -0.964 4.681 0.000) 4.779 9.024 ( -5.776 1.047 0.000) 5.870 9.221 ( -5.241 3.893 0.000) 6.529 9.485 ( 2.349 -4.306 0.000) 4.905 9.556 ( 2.266 15.315 0.000) 15.481 9.748 ( -2.231 -9.776 0.000) 10.027 9.856 ( 3.077 -3.050 0.000) 4.333 10.107 ( -5.139 -4.318 0.000) 6.713 10.302 ( -6.791 -15.661 0.000) 17.070 10.346 ( -1.819 -4.778 0.000) 5.112 10.544 ( -8.881 -0.678 0.000) 8.907 10.732 ( 3.101 -19.186 0.000) 19.435 11.043 ( -4.861 -18.215 0.000) 18.853 11.144 ( 9.364 8.217 0.000) 12.458 11.358 ( 4.257 5.091 0.000) 6.636 11.692 ( 0.013 -10.429 0.000) 10.429 11.948 ( -9.830 -11.726 0.000) 15.301 12.066 ( 3.728 10.339 0.000) 10.990 12.244 ( 1.793 14.291 0.000) 14.403 12.493 ( 11.657 -10.351 0.000) 15.589 12.790 ( 0.136 -10.402 0.000) 10.403 13.141 ( 3.040 -0.348 0.000) 3.060 13.174 ( 2.921 -2.855 0.000) 4.084 13.445 ( -1.280 9.277 0.000) 9.365 13.730 ( 10.896 7.469 0.000) 13.211 13.923 ( -9.928 -10.155 0.000) 14.202 14.093 ( 1.653 -8.497 0.000) 8.657 14.488 ( -6.330 4.682 0.000) 7.873 14.657 ( -8.850 -4.544 0.000) 9.949 15.320 ( 1.285 16.595 0.000) 16.645 15.408 ( -2.976 9.342 0.000) 9.804 15.804 ( 5.731 -10.012 0.000) 11.536 16.019 ( -1.474 -16.855 0.000) 16.919 19.493 ( -0.193 17.011 0.000) 17.012 19.511 ( -0.897 15.727 0.000) 15.752 19.883 ( 4.413 3.284 0.000) 5.501 20.124 ( -1.424 -11.589 0.000) 11.676 20.787 ( 2.830 12.579 0.000) 12.893 21.442 ( 4.831 -14.037 0.000) 14.845 21.565 ( -24.267 14.436 0.000) 28.236 22.031 ( -10.890 -8.982 0.000) 14.116 22.463 ( -0.449 2.170 0.000) 2.216 22.502 ( -4.921 1.782 0.000) 5.234 22.574 ( -3.193 -1.555 0.000) 3.551 22.578 ( -0.333 -2.973 0.000) 2.991 23.139 ( 17.402 3.308 0.000) 17.714 23.360 ( 26.729 -8.578 0.000) 28.072 23.886 ( -5.973 5.645 0.000) 8.219 24.221 ( -4.515 -10.310 0.000) 11.255 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 4.234 17.834 0.000) 18.329 2.297 ( 1.194 18.242 0.000) 18.281 2.769 ( -2.582 15.916 0.000) 16.124 2.806 ( -5.147 15.965 0.000) 16.774 3.020 ( 6.148 -14.669 0.000) 15.906 3.171 ( -8.900 -11.558 0.000) 14.588 3.380 ( 4.278 30.389 0.000) 30.689 3.461 ( -4.269 33.026 0.000) 33.301 3.663 ( 13.334 -13.578 0.000) 19.031 3.797 ( 1.466 -20.020 0.000) 20.073 4.245 ( 4.212 0.418 0.000) 4.232 4.318 ( -1.998 -0.007 0.000) 1.998 4.449 ( 15.837 4.728 0.000) 16.528 4.633 ( -8.812 6.128 0.000) 10.733 4.732 ( 8.419 -2.839 0.000) 8.885 4.961 ( -14.773 -10.177 0.000) 17.939 5.635 ( -3.346 4.889 0.000) 5.924 5.638 ( -5.631 8.343 0.000) 10.066 5.818 ( -4.301 -2.776 0.000) 5.119 5.822 ( -4.119 -0.911 0.000) 4.219 6.521 ( 4.570 7.895 0.000) 9.122 6.675 ( -12.096 10.756 0.000) 16.187 6.823 ( 7.990 2.054 0.000) 8.250 6.968 ( -6.924 2.631 0.000) 7.407 7.246 ( 10.269 2.757 0.000) 10.633 7.421 ( -7.465 9.953 0.000) 12.442 7.599 ( 10.440 1.971 0.000) 10.625 7.693 ( 1.152 9.368 0.000) 9.439 7.785 ( -0.232 1.470 0.000) 1.488 7.821 ( -3.670 0.522 0.000) 3.707 8.034 ( 4.472 -3.102 0.000) 5.442 8.112 ( -2.876 -5.131 0.000) 5.883 8.626 ( 12.002 3.105 0.000) 12.397 8.850 ( -11.007 2.913 0.000) 11.386 8.895 ( 9.688 -4.778 0.000) 10.802 8.950 ( 3.690 22.369 0.000) 22.672 8.980 ( -1.951 4.579 0.000) 4.977 9.088 ( -8.284 10.860 0.000) 13.659 9.568 ( 6.078 -9.850 0.000) 11.574 9.636 ( 6.563 11.014 0.000) 12.821 9.679 ( -5.151 -11.369 0.000) 12.481 9.798 ( -8.981 4.731 0.000) 10.151 10.128 ( 8.021 -7.342 0.000) 10.874 10.240 ( 0.883 -7.842 0.000) 7.892 10.292 ( -4.136 -7.167 0.000) 8.275 10.334 ( -11.770 -1.666 0.000) 11.887 10.815 ( 5.896 -17.523 0.000) 18.488 10.939 ( -6.510 -17.904 0.000) 19.051 11.313 ( 7.354 -0.319 0.000) 7.361 11.394 ( -1.023 -1.596 0.000) 1.895 11.705 ( 1.852 -9.182 0.000) 9.367 11.782 ( -6.736 -9.548 0.000) 11.685 12.159 ( 5.430 13.421 0.000) 14.477 12.239 ( -2.441 14.768 0.000) 14.968 12.704 ( 8.393 -12.341 0.000) 14.925 12.785 ( -1.269 -11.165 0.000) 11.237 13.228 ( 6.055 1.543 0.000) 6.248 13.303 ( 11.981 -1.598 0.000) 12.087 13.357 ( -6.950 5.502 0.000) 8.864 13.602 ( -17.618 -2.745 0.000) 17.830 14.071 ( 17.965 -1.776 0.000) 18.052 14.184 ( 8.096 -3.701 0.000) 8.902 14.331 ( -9.926 1.753 0.000) 10.080 14.424 ( -15.250 -3.593 0.000) 15.668 15.345 ( 1.185 15.024 0.000) 15.070 15.367 ( -1.450 12.959 0.000) 13.040 15.906 ( 4.730 -13.586 0.000) 14.386 15.978 ( -2.962 -15.703 0.000) 15.980 19.491 ( 0.010 16.765 0.000) 16.765 19.496 ( -0.579 16.320 0.000) 16.331 19.984 ( 5.711 -2.713 0.000) 6.323 20.077 ( -3.807 -8.956 0.000) 9.732 20.889 ( 8.680 17.622 0.000) 19.643 21.141 ( -18.625 20.603 0.000) 27.774 21.577 ( 9.505 -12.939 0.000) 16.055 21.792 ( -12.952 -11.172 0.000) 17.104 22.455 ( -0.357 2.129 0.000) 2.159 22.456 ( -0.813 1.915 0.000) 2.081 22.556 ( 0.374 -2.509 0.000) 2.537 22.568 ( -0.688 -2.899 0.000) 2.979 23.460 ( 15.959 4.976 0.000) 16.717 23.721 ( -11.501 5.667 0.000) 12.821 23.803 ( 19.326 -12.824 0.000) 23.194 24.082 ( -10.717 -12.175 0.000) 16.219 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 0.000 -14.561 0.000) 14.561 2.779 ( 0.000 14.561 0.000) 14.561 2.833 ( 0.000 -17.840 0.000) 17.840 2.833 ( 0.000 17.840 0.000) 17.840 2.964 ( 0.000 -13.706 0.000) 13.706 2.964 ( 0.000 13.706 0.000) 13.706 3.233 ( 0.000 -1.591 0.000) 1.591 3.233 ( 0.000 1.591 0.000) 1.591 3.686 ( 0.000 -19.581 0.000) 19.581 3.686 ( 0.000 19.581 0.000) 19.581 4.160 ( 0.000 -21.087 0.000) 21.087 4.160 ( 0.000 21.087 0.000) 21.087 4.445 ( 0.000 -10.129 0.000) 10.129 4.445 ( 0.000 10.129 0.000) 10.129 5.080 ( 0.000 -2.163 0.000) 2.163 5.080 ( 0.000 2.163 0.000) 2.163 5.856 ( 0.000 -7.841 0.000) 7.841 5.856 ( 0.000 7.841 0.000) 7.841 6.113 ( 0.000 -2.581 0.000) 2.581 6.113 ( 0.000 2.581 0.000) 2.581 6.570 ( 0.000 -2.593 0.000) 2.593 6.570 ( 0.000 2.593 0.000) 2.593 6.993 ( 0.000 -2.153 0.000) 2.153 6.993 ( 0.000 2.153 0.000) 2.153 7.191 ( 0.000 -2.719 0.000) 2.719 7.191 ( 0.000 2.719 0.000) 2.719 7.645 ( 0.000 -1.927 0.000) 1.927 7.645 ( 0.000 1.927 0.000) 1.927 7.915 ( 0.000 -6.366 0.000) 6.366 7.915 ( 0.000 6.366 0.000) 6.366 7.983 ( 0.000 -6.221 0.000) 6.221 7.983 ( 0.000 6.221 0.000) 6.221 8.473 ( 0.000 -5.278 0.000) 5.278 8.473 ( 0.000 5.278 0.000) 5.278 9.071 ( 0.000 -2.483 0.000) 2.483 9.071 ( 0.000 2.483 0.000) 2.483 9.305 ( 0.000 -5.243 0.000) 5.243 9.305 ( 0.000 5.243 0.000) 5.243 9.404 ( 0.000 -23.314 0.000) 23.314 9.404 ( 0.000 23.314 0.000) 23.314 9.915 ( 0.000 -11.537 0.000) 11.537 9.915 ( 0.000 11.537 0.000) 11.537 10.082 ( 0.000 -23.216 0.000) 23.216 10.082 ( 0.000 23.216 0.000) 23.216 10.331 ( 0.000 -10.304 0.000) 10.304 10.331 ( 0.000 10.304 0.000) 10.304 10.703 ( 0.000 -8.964 0.000) 8.964 10.703 ( 0.000 8.964 0.000) 8.964 11.399 ( 0.000 -16.505 0.000) 16.505 11.399 ( 0.000 16.505 0.000) 16.505 11.696 ( 0.000 -19.352 0.000) 19.352 11.696 ( 0.000 19.352 0.000) 19.352 12.195 ( 0.000 -7.576 0.000) 7.576 12.195 ( 0.000 7.576 0.000) 7.576 12.531 ( 0.000 -14.107 0.000) 14.107 12.531 ( 0.000 14.107 0.000) 14.107 13.107 ( 0.000 -0.580 0.000) 0.580 13.107 ( 0.000 0.580 0.000) 0.580 13.651 ( 0.000 -6.826 0.000) 6.826 13.651 ( 0.000 6.826 0.000) 6.826 13.934 ( 0.000 -0.013 0.000) 0.013 13.934 ( 0.000 0.013 0.000) 0.013 14.647 ( 0.000 -4.263 0.000) 4.263 14.647 ( 0.000 4.263 0.000) 4.263 15.587 ( 0.000 -6.866 0.000) 6.866 15.587 ( 0.000 6.866 0.000) 6.866 15.674 ( 0.000 -17.366 0.000) 17.366 15.674 ( 0.000 17.366 0.000) 17.366 19.786 ( 0.000 -8.899 0.000) 8.899 19.786 ( 0.000 8.899 0.000) 8.899 19.844 ( 0.000 -15.724 0.000) 15.724 19.844 ( 0.000 15.724 0.000) 15.724 21.065 ( 0.000 -16.451 0.000) 16.451 21.065 ( 0.000 16.451 0.000) 16.451 21.987 ( 0.000 -6.672 0.000) 6.672 21.987 ( 0.000 6.672 0.000) 6.672 22.520 ( 0.000 -2.761 0.000) 2.761 22.520 ( 0.000 2.761 0.000) 2.761 22.643 ( 0.000 -0.154 0.000) 0.154 22.643 ( 0.000 0.154 0.000) 0.154 22.948 ( 0.000 -1.881 0.000) 1.881 22.948 ( 0.000 1.881 0.000) 1.881 24.081 ( 0.000 -7.702 0.000) 7.702 24.081 ( 0.000 7.702 0.000) 7.702 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -5.869 -16.604 0.000) 17.610 2.664 ( -5.869 16.604 0.000) 17.610 2.794 ( -4.244 -18.691 0.000) 19.167 2.794 ( -4.244 18.691 0.000) 19.167 3.145 ( 12.115 -20.737 0.000) 24.017 3.145 ( 12.115 20.737 0.000) 24.017 3.224 ( 1.003 -6.182 0.000) 6.263 3.224 ( 1.003 6.182 0.000) 6.263 3.801 ( 9.631 -21.460 0.000) 23.522 3.801 ( 9.631 21.460 0.000) 23.522 4.143 ( -1.866 -21.644 0.000) 21.724 4.143 ( -1.866 21.644 0.000) 21.724 4.496 ( 5.166 -9.697 0.000) 10.988 4.496 ( 5.166 9.697 0.000) 10.988 4.956 ( -11.255 -4.585 0.000) 12.153 4.956 ( -11.255 4.585 0.000) 12.153 5.837 ( -2.478 -6.742 0.000) 7.182 5.837 ( -2.478 6.742 0.000) 7.182 5.969 ( -12.239 -0.438 0.000) 12.247 5.969 ( -12.239 0.438 0.000) 12.247 6.595 ( 3.592 -6.799 0.000) 7.690 6.595 ( 3.592 6.799 0.000) 7.690 7.081 ( -9.688 -2.821 0.000) 10.090 7.081 ( -9.688 2.821 0.000) 10.090 7.164 ( 14.630 -10.764 0.000) 18.163 7.164 ( 14.630 10.764 0.000) 18.163 7.713 ( 4.259 -5.876 0.000) 7.257 7.713 ( 4.259 5.876 0.000) 7.257 7.888 ( -2.352 -7.895 0.000) 8.238 7.888 ( -2.352 7.895 0.000) 8.238 7.977 ( -0.703 -7.587 0.000) 7.620 7.977 ( -0.703 7.587 0.000) 7.620 8.553 ( 8.257 -7.467 0.000) 11.133 8.553 ( 8.257 7.467 0.000) 11.133 9.040 ( -3.446 -0.318 0.000) 3.461 9.040 ( -3.446 0.318 0.000) 3.461 9.311 ( 0.870 -6.625 0.000) 6.682 9.311 ( 0.870 6.625 0.000) 6.682 9.406 ( -0.052 -22.112 0.000) 22.112 9.406 ( -0.052 22.112 0.000) 22.112 9.922 ( 0.844 -8.212 0.000) 8.255 9.922 ( 0.844 8.212 0.000) 8.255 10.063 ( -2.009 -22.916 0.000) 23.004 10.063 ( -2.009 22.916 0.000) 23.004 10.315 ( -0.594 -14.345 0.000) 14.358 10.315 ( -0.594 14.345 0.000) 14.358 10.644 ( -6.200 -11.774 0.000) 13.307 10.644 ( -6.200 11.774 0.000) 13.307 11.427 ( 2.600 -14.453 0.000) 14.685 11.427 ( 2.600 14.453 0.000) 14.685 11.646 ( -4.547 -15.907 0.000) 16.544 11.646 ( -4.547 15.907 0.000) 16.544 12.277 ( 7.854 -10.067 0.000) 12.768 12.277 ( 7.854 10.067 0.000) 12.768 12.542 ( 0.689 -13.263 0.000) 13.281 12.542 ( 0.689 13.263 0.000) 13.281 13.140 ( 3.754 -0.547 0.000) 3.794 13.140 ( 3.754 0.547 0.000) 3.794 13.664 ( -2.784 -11.096 0.000) 11.440 13.664 ( -2.784 11.096 0.000) 11.440 13.921 ( 2.803 -7.843 0.000) 8.329 13.921 ( 2.803 7.843 0.000) 8.329 14.571 ( -7.867 -3.740 0.000) 8.711 14.571 ( -7.867 3.740 0.000) 8.711 15.603 ( 1.513 -9.353 0.000) 9.475 15.603 ( 1.513 9.353 0.000) 9.475 15.672 ( -0.298 -16.665 0.000) 16.667 15.672 ( -0.298 16.665 0.000) 16.667 19.792 ( 0.594 -10.177 0.000) 10.195 19.792 ( 0.594 10.177 0.000) 10.195 19.838 ( -0.570 -15.481 0.000) 15.492 19.838 ( -0.570 15.481 0.000) 15.492 21.114 ( 5.184 -16.749 0.000) 17.533 21.114 ( 5.184 16.749 0.000) 17.533 21.823 ( -15.211 -10.836 0.000) 18.676 21.823 ( -15.211 10.836 0.000) 18.676 22.516 ( -0.386 -2.815 0.000) 2.841 22.516 ( -0.386 2.815 0.000) 2.841 22.539 ( -4.372 -1.723 0.000) 4.699 22.539 ( -4.372 1.723 0.000) 4.699 23.224 ( 20.498 -4.970 0.000) 21.091 23.224 ( 20.498 4.970 0.000) 21.091 24.029 ( -5.637 -8.013 0.000) 9.797 24.029 ( -5.637 8.013 0.000) 9.797 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 1.181 -17.031 0.000) 17.072 2.619 ( 1.181 17.031 0.000) 17.072 2.691 ( -5.675 -18.041 0.000) 18.912 2.691 ( -5.675 18.041 0.000) 18.912 3.287 ( 4.289 -18.920 0.000) 19.401 3.287 ( 4.289 18.920 0.000) 19.401 3.308 ( 3.746 -24.236 0.000) 24.524 3.308 ( 3.746 24.236 0.000) 24.524 3.972 ( 7.765 -23.221 0.000) 24.485 3.972 ( 7.765 23.221 0.000) 24.485 4.086 ( -4.428 -23.019 0.000) 23.441 4.086 ( -4.428 23.019 0.000) 23.441 4.614 ( 6.556 -8.514 0.000) 10.746 4.614 ( 6.556 8.514 0.000) 10.746 4.749 ( -9.038 -7.252 0.000) 11.587 4.749 ( -9.038 7.252 0.000) 11.587 5.770 ( -3.429 -5.364 0.000) 6.366 5.770 ( -3.429 5.364 0.000) 6.366 5.778 ( -5.766 -3.963 0.000) 6.997 5.778 ( -5.766 3.963 0.000) 6.997 6.707 ( 8.031 -9.670 0.000) 12.570 6.707 ( 8.031 9.670 0.000) 12.570 6.884 ( -10.452 -8.511 0.000) 13.479 6.884 ( -10.452 8.511 0.000) 13.479 7.450 ( 14.494 -12.792 0.000) 19.332 7.450 ( 14.494 12.792 0.000) 19.332 7.676 ( -8.658 -10.965 0.000) 13.971 7.676 ( -8.658 10.965 0.000) 13.971 7.896 ( 3.152 -9.154 0.000) 9.682 7.896 ( 3.152 9.154 0.000) 9.682 7.951 ( -2.241 -9.199 0.000) 9.468 7.951 ( -2.241 9.199 0.000) 9.468 8.749 ( 11.242 -7.680 0.000) 13.615 8.749 ( 11.242 7.680 0.000) 13.615 8.934 ( -7.935 -4.280 0.000) 9.016 8.934 ( -7.935 4.280 0.000) 9.016 9.343 ( 2.391 -10.663 0.000) 10.927 9.343 ( 2.391 10.663 0.000) 10.927 9.388 ( -1.972 -17.058 0.000) 17.171 9.388 ( -1.972 17.058 0.000) 17.171 9.953 ( 2.542 -8.287 0.000) 8.668 9.953 ( 2.542 8.287 0.000) 8.668 10.011 ( -3.267 -18.578 0.000) 18.863 10.011 ( -3.267 18.578 0.000) 18.863 10.351 ( 4.963 -18.426 0.000) 19.083 10.351 ( 4.963 18.426 0.000) 19.083 10.491 ( -9.010 -16.441 0.000) 18.748 10.491 ( -9.010 16.441 0.000) 18.748 11.485 ( 3.411 -11.313 0.000) 11.816 11.485 ( 3.411 11.313 0.000) 11.816 11.557 ( -4.377 -11.369 0.000) 12.183 11.557 ( -4.377 11.369 0.000) 12.183 12.437 ( 7.700 -13.022 0.000) 15.129 12.437 ( 7.700 13.022 0.000) 15.129 12.532 ( -2.380 -13.076 0.000) 13.291 12.532 ( -2.380 13.076 0.000) 13.291 13.263 ( 9.663 -1.937 0.000) 9.855 13.263 ( 9.663 1.937 0.000) 9.855 13.488 ( -12.951 -6.727 0.000) 14.594 13.488 ( -12.951 6.727 0.000) 14.594 14.102 ( 13.773 -3.600 0.000) 14.236 14.102 ( 13.773 3.600 0.000) 14.236 14.367 ( -13.303 -2.012 0.000) 13.454 14.367 ( -13.303 2.012 0.000) 13.454 15.635 ( 1.664 -12.685 0.000) 12.794 15.635 ( 1.664 12.685 0.000) 12.794 15.660 ( -0.975 -15.007 0.000) 15.039 15.660 ( -0.975 15.007 0.000) 15.039 19.806 ( 0.925 -12.623 0.000) 12.657 19.806 ( 0.925 12.623 0.000) 12.657 19.824 ( -0.909 -14.540 0.000) 14.568 19.824 ( -0.909 14.540 0.000) 14.568 21.263 ( 10.757 -16.919 0.000) 20.049 21.263 ( 10.757 16.919 0.000) 20.049 21.515 ( -15.810 -15.340 0.000) 22.029 21.515 ( -15.810 15.340 0.000) 22.029 22.503 ( -0.333 -2.451 0.000) 2.473 22.503 ( -0.333 2.451 0.000) 2.473 22.507 ( -0.509 -2.808 0.000) 2.854 22.507 ( -0.509 2.808 0.000) 2.854 23.592 ( 17.574 -7.819 0.000) 19.234 23.592 ( 17.574 7.819 0.000) 19.234 23.867 ( -11.630 -8.462 0.000) 14.382 23.867 ( -11.630 8.462 0.000) 14.382 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 0.000 33.348) 33.348 0.748 ( 0.000 0.000 36.860) 36.860 1.417 ( 0.000 0.000 68.491) 68.491 1.782 ( 0.000 0.000 5.922) 5.922 1.955 ( 0.000 0.000 -9.676) 9.676 2.919 ( 0.000 0.000 16.866) 16.866 2.989 ( 0.000 0.000 3.350) 3.350 3.322 ( 0.000 0.000 -4.867) 4.867 3.707 ( 0.000 0.000 -7.047) 7.047 3.870 ( 0.000 0.000 5.703) 5.703 3.972 ( 0.000 0.000 6.305) 6.305 4.334 ( 0.000 0.000 -8.034) 8.034 4.539 ( 0.000 0.000 5.770) 5.770 4.700 ( 0.000 0.000 -3.750) 3.750 4.726 ( 0.000 0.000 2.199) 2.199 5.057 ( 0.000 0.000 6.408) 6.408 5.093 ( 0.000 0.000 -0.853) 0.853 5.697 ( 0.000 0.000 -11.858) 11.858 5.700 ( 0.000 0.000 -0.009) 0.009 5.741 ( 0.000 0.000 -1.747) 1.747 6.446 ( 0.000 0.000 -0.111) 0.111 6.517 ( 0.000 0.000 -7.458) 7.458 6.823 ( 0.000 0.000 1.577) 1.577 6.848 ( 0.000 0.000 14.713) 14.713 6.930 ( 0.000 0.000 -6.284) 6.284 7.239 ( 0.000 0.000 8.040) 8.040 7.275 ( 0.000 0.000 -1.540) 1.540 7.427 ( 0.000 0.000 -8.446) 8.446 7.484 ( 0.000 0.000 -6.105) 6.105 7.558 ( 0.000 0.000 -2.940) 2.940 7.641 ( 0.000 0.000 10.958) 10.958 7.917 ( 0.000 0.000 4.973) 4.973 8.308 ( 0.000 0.000 -5.544) 5.544 8.378 ( 0.000 0.000 -4.628) 4.628 8.428 ( 0.000 0.000 -5.028) 5.028 8.931 ( 0.000 0.000 7.063) 7.063 9.056 ( 0.000 0.000 -1.673) 1.673 9.320 ( 0.000 0.000 -3.381) 3.381 9.328 ( 0.000 0.000 -1.200) 1.200 9.699 ( 0.000 0.000 -5.912) 5.912 10.087 ( 0.000 0.000 2.674) 2.674 10.213 ( 0.000 0.000 -6.736) 6.736 10.274 ( 0.000 0.000 -11.737) 11.737 10.500 ( 0.000 0.000 -3.253) 3.253 10.639 ( 0.000 0.000 -3.772) 3.772 10.686 ( 0.000 0.000 6.615) 6.615 11.165 ( 0.000 0.000 -12.682) 12.682 11.253 ( 0.000 0.000 5.463) 5.463 11.279 ( 0.000 0.000 -3.964) 3.964 11.439 ( 0.000 0.000 -8.477) 8.477 11.959 ( 0.000 0.000 5.341) 5.341 12.212 ( 0.000 0.000 -3.226) 3.226 12.524 ( 0.000 0.000 -8.308) 8.308 12.595 ( 0.000 0.000 0.302) 0.302 12.792 ( 0.000 0.000 7.027) 7.027 12.855 ( 0.000 0.000 -1.866) 1.866 12.888 ( 0.000 0.000 -4.469) 4.469 13.009 ( 0.000 0.000 1.868) 1.868 13.199 ( 0.000 0.000 -2.863) 2.863 13.217 ( 0.000 0.000 12.063) 12.063 13.412 ( 0.000 0.000 -2.907) 2.907 14.065 ( 0.000 0.000 -6.948) 6.948 14.456 ( 0.000 0.000 -11.782) 11.782 14.709 ( 0.000 0.000 16.922) 16.922 15.034 ( 0.000 0.000 3.043) 3.043 15.993 ( 0.000 0.000 -2.465) 2.465 17.032 ( 0.000 0.000 0.508) 0.508 17.487 ( 0.000 0.000 -0.922) 0.922 18.769 ( 0.000 0.000 -0.053) 0.053 18.781 ( 0.000 0.000 -0.229) 0.229 18.786 ( 0.000 0.000 0.315) 0.315 18.811 ( 0.000 0.000 0.287) 0.287 20.514 ( 0.000 0.000 1.882) 1.882 20.682 ( 0.000 0.000 1.607) 1.607 21.617 ( 0.000 0.000 -2.796) 2.796 21.861 ( 0.000 0.000 -1.901) 1.901 22.458 ( 0.000 0.000 -0.837) 0.837 22.588 ( 0.000 0.000 -6.345) 6.345 22.634 ( 0.000 0.000 0.347) 0.347 22.709 ( 0.000 0.000 2.873) 2.873 23.017 ( 0.000 0.000 11.985) 11.985 23.818 ( 0.000 0.000 2.186) 2.186 24.078 ( 0.000 0.000 -4.140) 4.140 25.028 ( 0.000 0.000 -6.096) 6.096 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 25.023 0.000 21.688) 33.114 1.232 ( 32.468 0.000 28.876) 43.451 1.747 ( -3.323 0.000 4.706) 5.761 1.782 ( 38.634 0.000 47.806) 61.466 1.983 ( 3.172 0.000 -6.600) 7.322 2.753 ( -15.278 0.000 18.998) 24.379 2.823 ( -16.051 0.000 3.263) 16.379 3.350 ( 2.789 0.000 -5.175) 5.878 3.630 ( -5.382 0.000 -5.707) 7.844 4.026 ( 12.535 0.000 4.006) 13.160 4.074 ( 6.166 0.000 0.687) 6.205 4.413 ( -2.812 0.000 -1.897) 3.392 4.435 ( -10.427 0.000 1.336) 10.512 4.538 ( -0.916 0.000 2.705) 2.856 4.667 ( -6.162 0.000 2.656) 6.710 5.234 ( 15.067 0.000 -12.122) 19.338 5.433 ( 6.689 0.000 -13.430) 15.004 5.707 ( 0.771 0.000 -0.225) 0.804 5.716 ( 4.530 0.000 -8.307) 9.462 5.749 ( 0.510 0.000 -1.346) 1.440 6.443 ( 2.064 0.000 -1.962) 2.847 6.594 ( 5.668 0.000 -4.587) 7.291 6.725 ( -8.265 0.000 3.649) 9.035 6.809 ( -1.537 0.000 0.688) 1.684 6.881 ( -22.086 0.000 -0.242) 22.087 7.055 ( 5.192 0.000 2.912) 5.953 7.132 ( -10.073 0.000 2.276) 10.327 7.412 ( -2.189 0.000 -7.813) 8.114 7.515 ( 2.576 0.000 0.218) 2.585 7.639 ( -0.586 0.000 9.777) 9.795 7.722 ( 8.279 0.000 -4.185) 9.277 7.947 ( 3.565 0.000 4.006) 5.362 8.229 ( -6.866 0.000 -7.669) 10.293 8.328 ( -5.112 0.000 -3.640) 6.276 8.497 ( 6.027 0.000 -4.470) 7.504 8.807 ( -5.694 0.000 0.482) 5.715 9.163 ( 4.427 0.000 4.731) 6.480 9.259 ( -4.123 0.000 6.267) 7.502 9.384 ( 6.292 0.000 3.390) 7.147 9.784 ( 7.877 0.000 -4.181) 8.918 9.989 ( -10.761 0.000 0.174) 10.762 10.074 ( -1.414 0.000 2.361) 2.752 10.267 ( 5.875 0.000 -7.800) 9.765 10.509 ( 0.830 0.000 -4.037) 4.121 10.632 ( -0.566 0.000 -3.078) 3.130 10.645 ( 8.276 0.000 1.848) 8.480 11.161 ( 1.075 0.000 -2.972) 3.160 11.204 ( -4.334 0.000 -1.062) 4.462 11.226 ( -17.864 0.000 -7.108) 19.226 11.862 ( 15.727 0.000 -24.988) 29.525 12.123 ( 12.793 0.000 3.927) 13.382 12.134 ( -3.536 0.000 -1.202) 3.735 12.472 ( -14.166 0.000 -6.496) 15.584 12.596 ( -0.907 0.000 -0.043) 0.908 12.768 ( -0.948 0.000 7.092) 7.155 12.835 ( 13.681 0.000 -10.915) 17.502 12.996 ( -2.173 0.000 2.303) 3.166 13.116 ( 3.140 0.000 -5.333) 6.189 13.217 ( 2.142 0.000 -3.078) 3.750 13.394 ( -1.902 0.000 -2.986) 3.540 13.508 ( 32.152 0.000 -0.842) 32.163 14.079 ( 1.704 0.000 -5.721) 5.969 14.389 ( -6.468 0.000 -4.054) 7.634 14.671 ( -3.990 0.000 8.058) 8.992 15.021 ( -1.155 0.000 5.459) 5.580 15.538 ( -30.541 0.000 22.399) 37.874 17.050 ( 1.937 0.000 0.569) 2.019 17.294 ( -9.094 0.000 5.742) 10.755 18.769 ( 0.078 0.000 -0.109) 0.134 18.781 ( -0.130 0.000 -0.148) 0.197 18.788 ( 0.290 0.000 0.272) 0.397 18.809 ( -0.206 0.000 0.303) 0.367 20.517 ( 1.479 0.000 1.125) 1.858 20.677 ( -1.609 0.000 2.384) 2.876 21.808 ( 6.324 0.000 -7.268) 9.634 22.044 ( 13.428 0.000 -11.430) 17.634 22.363 ( -7.175 0.000 -1.679) 7.369 22.531 ( -5.303 0.000 2.750) 5.974 22.619 ( 1.113 0.000 -2.387) 2.633 22.713 ( -0.972 0.000 2.415) 2.603 23.137 ( 10.700 0.000 8.239) 13.504 23.695 ( -6.988 0.000 -1.206) 7.091 24.417 ( 19.409 0.000 -14.273) 24.092 24.972 ( -5.183 0.000 -4.917) 7.144 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 19.243 0.000 10.193) 21.776 1.658 ( -6.790 0.000 4.775) 8.301 1.781 ( 27.517 0.000 29.716) 40.500 2.112 ( 12.394 0.000 -0.816) 12.421 2.244 ( -16.889 0.000 24.645) 29.876 2.453 ( -21.465 0.000 3.113) 21.689 2.817 ( 44.006 0.000 19.896) 48.294 3.424 ( 4.912 0.000 -6.110) 7.840 3.526 ( -5.680 0.000 -6.227) 8.428 3.673 ( -40.850 0.000 7.991) 41.625 4.275 ( 13.225 0.000 3.942) 13.800 4.399 ( 8.454 0.000 4.681) 9.663 4.494 ( -2.189 0.000 3.172) 3.854 4.504 ( -10.785 0.000 3.505) 11.341 4.704 ( 20.221 0.000 -10.139) 22.620 5.147 ( -22.086 0.000 -15.043) 26.723 5.569 ( 11.134 0.000 -4.632) 12.059 5.724 ( -4.910 0.000 -5.713) 7.533 5.727 ( 1.266 0.000 -0.522) 1.369 5.748 ( -0.728 0.000 -0.835) 1.107 6.546 ( 8.106 0.000 -1.123) 8.183 6.578 ( -4.794 0.000 0.484) 4.818 6.605 ( -6.937 0.000 1.573) 7.113 6.665 ( -1.110 0.000 -0.609) 1.266 6.789 ( 1.962 0.000 -3.087) 3.657 6.920 ( -10.708 0.000 -2.748) 11.055 7.190 ( 8.515 0.000 1.982) 8.743 7.340 ( -6.301 0.000 -2.336) 6.720 7.566 ( 2.736 0.000 5.373) 6.029 7.613 ( -2.106 0.000 7.904) 8.180 7.875 ( 9.372 0.000 -9.737) 13.515 8.053 ( 7.340 0.000 1.655) 7.524 8.067 ( -10.130 0.000 -10.655) 14.702 8.201 ( -7.885 0.000 -1.208) 7.977 8.624 ( 6.829 0.000 -5.196) 8.581 8.730 ( -4.167 0.000 -5.419) 6.836 9.193 ( 0.113 0.000 5.528) 5.529 9.203 ( -1.536 0.000 9.106) 9.235 9.573 ( 12.492 0.000 4.521) 13.285 9.808 ( -11.342 0.000 1.412) 11.429 9.935 ( 6.898 0.000 -0.637) 6.928 10.030 ( -3.456 0.000 1.415) 3.735 10.429 ( 9.675 0.000 -9.004) 13.217 10.520 ( -0.526 0.000 -6.340) 6.362 10.645 ( 4.040 0.000 -2.314) 4.655 10.873 ( -18.070 0.000 -6.511) 19.208 10.910 ( 14.529 0.000 -2.988) 14.833 11.092 ( -6.815 0.000 -2.719) 7.337 11.281 ( 14.354 0.000 -2.438) 14.560 11.687 ( -23.425 0.000 -7.968) 24.743 12.206 ( 5.945 0.000 -5.783) 8.293 12.298 ( -4.900 0.000 -6.082) 7.810 12.351 ( 10.826 0.000 3.548) 11.392 12.520 ( -6.987 0.000 2.225) 7.332 12.809 ( 4.988 0.000 4.455) 6.688 12.918 ( -5.684 0.000 2.833) 6.351 13.032 ( 7.134 0.000 -8.965) 11.457 13.116 ( -2.179 0.000 -7.214) 7.535 13.276 ( 3.733 0.000 -3.119) 4.864 13.344 ( -3.314 0.000 -3.094) 4.534 14.037 ( 16.459 0.000 0.560) 16.468 14.143 ( 3.879 0.000 -3.670) 5.340 14.288 ( 2.138 0.000 -2.515) 3.301 14.531 ( -12.283 0.000 -3.804) 12.859 15.016 ( 1.687 0.000 11.004) 11.133 15.134 ( -12.551 0.000 18.996) 22.768 17.102 ( 3.477 0.000 1.020) 3.624 17.177 ( -4.625 0.000 2.436) 5.227 18.772 ( 0.217 0.000 -0.155) 0.267 18.777 ( -0.270 0.000 -0.134) 0.301 18.795 ( 0.457 0.000 0.286) 0.539 18.803 ( -0.385 0.000 0.317) 0.499 20.564 ( 3.234 0.000 1.146) 3.431 20.628 ( -3.273 0.000 1.968) 3.819 21.927 ( 7.244 0.000 -4.311) 8.430 22.075 ( -7.350 0.000 -4.837) 8.799 22.346 ( 4.610 0.000 -2.668) 5.326 22.437 ( -4.767 0.000 1.056) 4.883 22.648 ( 1.873 0.000 -0.560) 1.955 22.684 ( -1.855 0.000 1.067) 2.140 23.354 ( 11.473 0.000 3.685) 12.051 23.548 ( -9.052 0.000 -0.193) 9.054 24.687 ( 10.670 0.000 -10.391) 14.894 24.853 ( -7.440 0.000 -6.332) 9.770 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 25.553 23.658) 34.824 1.239 ( 0.000 27.763 30.842) 41.497 1.799 ( 0.000 39.736 36.679) 54.077 2.049 ( 0.000 23.294 4.969) 23.818 2.186 ( 0.000 19.114 -5.593) 19.916 2.917 ( 0.000 2.799 13.822) 14.103 3.283 ( 0.000 24.016 3.414) 24.258 3.399 ( 0.000 3.490 -4.018) 5.322 3.636 ( 0.000 -4.000 -0.681) 4.057 3.730 ( 0.000 -11.411 7.417) 13.610 4.000 ( 0.000 2.005 6.827) 7.115 4.273 ( 0.000 -5.667 -5.909) 8.188 4.410 ( 0.000 -11.078 6.563) 12.876 4.581 ( 0.000 -4.185 -5.759) 7.119 4.880 ( 0.000 5.880 3.146) 6.669 5.134 ( 0.000 9.761 3.251) 10.289 5.191 ( 0.000 6.615 -0.866) 6.671 5.674 ( 0.000 1.962 -13.308) 13.451 5.821 ( 0.000 5.402 -3.264) 6.312 5.960 ( 0.000 11.779 -4.612) 12.649 6.393 ( 0.000 -10.283 -4.931) 11.404 6.550 ( 0.000 8.823 -2.212) 9.096 6.889 ( 0.000 -3.099 -0.215) 3.107 6.895 ( 0.000 -2.110 -4.739) 5.188 6.963 ( 0.000 7.316 11.942) 14.005 7.287 ( 0.000 1.563 1.042) 1.879 7.344 ( 0.000 -4.804 -10.079) 11.165 7.397 ( 0.000 -1.417 7.645) 7.775 7.528 ( 0.000 0.820 -3.411) 3.508 7.651 ( 0.000 28.564 -25.393) 38.219 7.922 ( 0.000 0.645 3.825) 3.879 7.931 ( 0.000 12.288 -3.460) 12.766 8.301 ( 0.000 -5.765 -5.719) 8.120 8.323 ( 0.000 2.961 -3.826) 4.838 8.451 ( 0.000 0.867 -2.808) 2.939 8.943 ( 0.000 1.069 7.104) 7.184 9.062 ( 0.000 0.581 -0.991) 1.149 9.222 ( 0.000 -6.254 3.172) 7.013 9.304 ( 0.000 -1.507 -3.514) 3.824 9.741 ( 0.000 1.597 -2.980) 3.381 10.002 ( 0.000 -12.181 -1.339) 12.255 10.120 ( 0.000 1.616 0.543) 1.704 10.231 ( 0.000 -4.604 -10.943) 11.872 10.532 ( 0.000 3.114 -0.998) 3.270 10.545 ( 0.000 -5.356 -0.953) 5.440 10.664 ( 0.000 -1.762 5.099) 5.394 10.964 ( 0.000 -11.082 2.212) 11.300 11.113 ( 0.000 -11.254 -4.371) 12.073 11.315 ( 0.000 6.123 -10.536) 12.186 11.590 ( 0.000 9.960 -1.939) 10.147 11.883 ( 0.000 -8.068 9.287) 12.302 12.080 ( 0.000 -12.036 -2.014) 12.204 12.094 ( 0.000 -12.354 6.952) 14.175 12.600 ( 0.000 -3.108 -5.941) 6.705 12.681 ( 0.000 -10.901 1.831) 11.054 12.924 ( 0.000 6.578 -1.264) 6.698 13.066 ( 0.000 -0.344 -1.338) 1.382 13.214 ( 0.000 6.539 6.014) 8.884 13.272 ( 0.000 6.835 -1.193) 6.938 13.363 ( 0.000 -4.086 -2.269) 4.674 13.700 ( 0.000 32.841 -19.051) 37.967 14.060 ( 0.000 -0.045 -6.258) 6.259 14.397 ( 0.000 -5.507 -11.263) 12.537 14.831 ( 0.000 9.214 12.067) 15.183 14.992 ( 0.000 -3.873 2.830) 4.796 15.950 ( 0.000 -3.956 -2.604) 4.736 16.174 ( 0.000 -43.377 41.479) 60.017 16.826 ( 0.000 -16.484 1.929) 16.597 18.897 ( 0.000 10.519 0.208) 10.521 18.903 ( 0.000 8.671 0.106) 8.672 19.040 ( 0.000 21.015 -1.431) 21.064 20.475 ( 0.000 -3.499 1.635) 3.863 20.590 ( 0.000 68.292 -69.589) 97.501 20.670 ( 0.000 -1.024 1.389) 1.725 21.642 ( 0.000 2.276 -3.189) 3.918 21.830 ( 0.000 -2.649 -2.595) 3.708 22.439 ( 0.000 -1.761 -0.765) 1.920 22.579 ( 0.000 -0.915 -6.210) 6.277 22.636 ( 0.000 0.204 0.494) 0.534 22.703 ( 0.000 -0.508 2.780) 2.826 23.017 ( 0.000 0.098 11.940) 11.941 23.806 ( 0.000 -20.407 15.332) 25.525 23.824 ( 0.000 0.685 1.679) 1.814 24.726 ( 0.000 -16.069 3.360) 16.416 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 23.937 20.146 18.447) 36.320 1.448 ( 18.647 19.345 30.643) 40.754 1.958 ( 6.339 23.641 11.156) 26.898 2.044 ( 1.207 23.507 7.376) 24.667 2.338 ( 21.598 28.520 8.199) 36.703 2.772 ( -12.504 4.384 17.076) 21.614 3.014 ( -21.919 12.553 3.974) 25.570 3.464 ( 3.962 8.675 -3.264) 10.080 3.602 ( -2.105 -1.814 -0.969) 2.943 3.897 ( 11.253 -6.645 5.775) 14.288 4.092 ( 8.684 -0.672 4.474) 9.792 4.333 ( 3.441 -8.646 -5.246) 10.683 4.422 ( -4.003 -2.595 3.272) 5.785 4.483 ( -9.847 -0.043 -1.814) 10.013 4.744 ( -2.682 2.883 3.174) 5.057 5.190 ( 6.245 1.412 -7.159) 9.604 5.427 ( 12.868 0.973 1.422) 12.983 5.574 ( -9.073 -1.378 -8.509) 12.515 5.843 ( 0.659 6.681 -4.403) 8.029 5.948 ( -1.488 10.693 -2.888) 11.176 6.397 ( 0.815 -9.562 -4.358) 10.540 6.529 ( -2.385 3.400 -1.102) 4.297 6.715 ( -11.836 -3.961 -4.555) 13.286 6.878 ( -6.947 0.952 6.623) 9.646 6.986 ( -10.217 7.596 -0.775) 12.755 7.088 ( 7.936 5.427 2.385) 9.905 7.339 ( -2.599 1.297 -2.899) 4.103 7.467 ( 3.134 -1.139 -2.403) 4.110 7.572 ( -5.963 23.264 -16.088) 28.907 7.619 ( 1.788 0.651 0.496) 1.966 7.833 ( -2.321 4.526 1.072) 5.198 8.027 ( 5.137 7.327 0.159) 8.950 8.264 ( -5.977 1.435 -3.412) 7.030 8.301 ( -0.567 0.507 -8.381) 8.416 8.512 ( 5.811 0.971 -2.157) 6.273 8.846 ( -5.236 3.596 1.806) 6.604 9.143 ( 3.402 -2.442 4.371) 6.053 9.187 ( -2.081 -4.581 5.505) 7.458 9.373 ( 6.873 -0.941 2.184) 7.273 9.786 ( 3.380 -1.177 -2.936) 4.629 9.913 ( -3.351 -5.690 -2.081) 6.924 10.094 ( -3.053 0.263 0.092) 3.066 10.278 ( 4.211 -0.574 -7.596) 8.704 10.463 ( -0.631 -9.694 0.021) 9.715 10.531 ( -1.160 2.841 -1.877) 3.597 10.657 ( 5.531 -0.282 0.558) 5.566 10.970 ( -10.621 -12.004 -4.911) 16.764 11.196 ( 1.203 -8.622 -2.781) 9.139 11.348 ( 0.592 4.448 -11.441) 12.289 11.684 ( 11.343 -0.101 -4.731) 12.290 12.017 ( -0.607 -9.896 2.131) 10.141 12.043 ( 9.929 -8.624 3.215) 13.539 12.164 ( 1.439 -14.107 4.441) 14.860 12.447 ( -11.954 -8.112 -0.072) 14.447 12.702 ( 7.606 -4.386 -4.677) 9.948 12.932 ( -1.336 4.827 -2.989) 5.833 13.109 ( 2.877 2.432 -0.211) 3.773 13.236 ( 0.336 5.988 -0.668) 6.034 13.336 ( -2.278 -3.337 -2.980) 5.020 13.484 ( 12.410 5.909 8.631) 16.230 13.729 ( 9.222 24.170 -21.343) 33.538 14.071 ( 1.330 -0.200 -5.293) 5.461 14.344 ( -5.285 -4.650 -6.345) 9.477 14.751 ( -7.669 5.195 5.424) 10.735 15.005 ( 0.956 -0.367 6.774) 6.851 15.474 ( -25.495 -4.681 21.255) 33.521 16.544 ( 16.881 -33.246 11.865) 39.129 16.826 ( -0.122 -17.704 2.138) 17.833 18.893 ( -0.321 10.146 0.187) 10.153 18.899 ( -0.307 8.753 0.124) 8.759 19.074 ( 3.562 23.236 -1.590) 23.561 19.930 ( -38.891 57.897 -22.237) 73.206 20.498 ( 2.070 -0.478 -0.542) 2.193 20.671 ( -1.969 -0.061 2.159) 2.923 21.771 ( 5.131 -3.780 -6.118) 8.835 22.050 ( 11.580 0.323 -12.390) 16.962 22.352 ( -6.059 -0.953 -1.578) 6.333 22.533 ( -5.215 0.271 2.633) 5.848 22.606 ( 0.953 -1.172 -2.305) 2.755 22.703 ( -1.227 -0.925 2.477) 2.915 23.143 ( 11.123 0.694 8.086) 13.769 23.691 ( -5.388 -0.589 -1.836) 5.723 24.207 ( 22.870 -17.928 -2.249) 29.147 24.717 ( -1.244 -15.721 1.308) 15.824 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 18.093 25.217 11.147) 32.978 1.856 ( 25.537 8.507 21.205) 34.266 1.955 ( -2.784 23.732 3.027) 24.086 2.123 ( 7.606 9.476 12.378) 17.346 2.362 ( -18.199 9.252 16.234) 26.083 2.550 ( -25.731 6.549 7.665) 27.636 3.078 ( 40.063 22.507 11.041) 47.260 3.526 ( 2.400 7.431 -4.020) 8.783 3.566 ( -2.022 3.849 -3.015) 5.291 3.805 ( -30.654 9.713 6.679) 32.842 4.161 ( 4.283 -4.773 2.270) 6.803 4.227 ( 0.321 -9.355 6.172) 11.212 4.522 ( 8.921 -2.592 -1.525) 9.415 4.578 ( 9.249 -1.783 -1.554) 9.547 4.719 ( 3.821 5.380 -0.411) 6.611 5.076 ( -21.319 -4.956 -12.234) 25.075 5.509 ( 5.632 -3.646 -3.278) 7.467 5.579 ( 1.497 -5.575 0.003) 5.773 5.837 ( 0.464 7.319 -1.980) 7.596 5.894 ( -4.175 9.209 0.388) 10.119 6.416 ( 0.898 -9.832 -4.018) 10.659 6.462 ( -4.290 -5.219 -1.021) 6.832 6.575 ( 0.421 -0.565 -4.755) 4.807 6.676 ( -8.979 -0.558 1.176) 9.073 7.030 ( 8.382 16.883 0.871) 18.870 7.210 ( -7.495 11.720 -1.280) 13.971 7.262 ( 6.748 9.682 -5.038) 12.832 7.416 ( -7.717 10.360 -1.486) 13.003 7.540 ( 2.651 -1.907 2.868) 4.347 7.594 ( -3.008 -0.539 3.616) 4.735 7.904 ( 8.556 3.216 -5.666) 10.754 8.075 ( -6.087 2.723 -5.783) 8.827 8.164 ( 2.000 7.070 -2.558) 7.780 8.253 ( -4.576 4.725 -6.672) 9.369 8.641 ( 7.242 1.578 -2.720) 7.895 8.760 ( -5.050 2.811 -3.213) 6.613 9.160 ( 0.042 -3.597 8.006) 8.777 9.169 ( -0.531 -2.236 4.734) 5.262 9.554 ( 11.425 -1.603 3.545) 12.069 9.754 ( -8.121 -3.989 -1.563) 9.182 9.935 ( 4.602 -2.024 0.321) 5.038 10.020 ( -4.232 -2.300 0.230) 4.822 10.396 ( 7.808 -2.714 -7.501) 11.163 10.491 ( -2.050 -3.288 -4.353) 5.828 10.503 ( 3.709 -8.194 -0.868) 9.036 10.687 ( -12.684 -10.499 -2.873) 16.714 10.918 ( 14.206 -3.324 -5.062) 15.442 11.133 ( -7.190 -2.354 -4.779) 8.948 11.400 ( 8.227 9.125 -5.980) 13.664 11.663 ( -14.985 0.680 -6.341) 16.286 12.013 ( 2.658 -9.461 1.717) 9.976 12.070 ( -3.566 -10.550 1.573) 11.247 12.276 ( 9.415 -13.951 4.520) 17.427 12.381 ( -1.368 -14.227 0.972) 14.326 12.830 ( 5.139 0.290 -8.237) 9.713 12.896 ( -2.349 4.556 -6.650) 8.396 13.155 ( 2.662 3.322 -1.651) 4.566 13.220 ( -3.368 2.446 -2.902) 5.074 13.347 ( 5.122 4.509 1.085) 6.909 13.472 ( -6.585 13.162 2.107) 14.868 14.075 ( 11.684 3.797 -3.224) 12.702 14.128 ( 5.829 -1.461 -6.020) 8.506 14.261 ( 3.163 -2.781 -2.542) 4.919 14.544 ( -15.050 0.496 -2.631) 15.286 15.031 ( 2.390 2.235 10.761) 11.248 15.138 ( -10.555 1.239 16.342) 19.494 16.749 ( 6.147 -26.910 4.946) 28.042 16.814 ( -1.542 -21.240 2.874) 21.489 18.889 ( -0.001 9.510 0.177) 9.512 18.893 ( -0.329 9.024 0.159) 9.031 19.179 ( 8.099 29.959 -2.459) 31.132 19.410 ( -17.967 42.247 -6.015) 46.301 20.552 ( 3.405 -0.749 0.565) 3.532 20.618 ( -3.408 -0.674 1.744) 3.887 21.886 ( 7.470 -3.987 -4.291) 9.493 22.041 ( -8.085 -3.302 -4.874) 10.001 22.355 ( 4.519 0.880 -2.450) 5.215 22.442 ( -4.579 0.483 1.211) 4.761 22.635 ( 1.878 -1.263 -0.637) 2.351 22.672 ( -1.929 -1.196 1.054) 2.502 23.366 ( 11.623 1.242 3.503) 12.203 23.560 ( -8.725 1.156 -0.565) 8.819 24.524 ( 11.214 -14.848 -6.902) 19.846 24.666 ( -4.636 -14.532 -3.182) 15.582 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 30.208 10.467) 31.970 1.771 ( 0.000 26.588 29.388) 39.631 2.560 ( 0.000 23.762 -6.592) 24.659 2.622 ( 0.000 27.371 3.303) 27.569 2.827 ( 0.000 35.215 12.807) 37.471 3.054 ( 0.000 14.907 11.471) 18.810 3.375 ( 0.000 -1.064 2.025) 2.287 3.440 ( 0.000 -11.144 10.356) 15.213 3.550 ( 0.000 -6.926 9.289) 11.587 3.881 ( 0.000 25.720 2.755) 25.867 4.085 ( 0.000 -2.647 3.933) 4.741 4.118 ( 0.000 -7.364 -0.874) 7.416 4.122 ( 0.000 -8.451 8.229) 11.795 4.505 ( 0.000 -3.438 -2.706) 4.375 4.978 ( 0.000 4.550 -1.856) 4.915 5.283 ( 0.000 2.289 -6.538) 6.927 5.471 ( 0.000 20.293 0.679) 20.304 5.704 ( 0.000 -2.642 -4.003) 4.796 5.899 ( 0.000 1.838 -4.821) 5.159 6.052 ( 0.000 -6.030 -3.591) 7.019 6.291 ( 0.000 5.506 -6.859) 8.795 6.623 ( 0.000 -4.310 -13.119) 13.809 6.815 ( 0.000 -1.293 -6.681) 6.805 7.009 ( 0.000 13.175 4.194) 13.826 7.099 ( 0.000 6.809 6.534) 9.437 7.228 ( 0.000 -6.863 -11.080) 13.033 7.355 ( 0.000 4.664 -0.437) 4.685 7.506 ( 0.000 -1.706 -1.962) 2.600 7.518 ( 0.000 11.414 7.624) 13.726 7.956 ( 0.000 2.898 1.276) 3.167 7.991 ( 0.000 -0.224 -4.821) 4.826 8.166 ( 0.000 -6.618 -4.617) 8.069 8.223 ( 0.000 23.016 -13.280) 26.573 8.439 ( 0.000 4.956 -8.028) 9.435 8.454 ( 0.000 -0.452 0.439) 0.630 8.984 ( 0.000 3.749 7.735) 8.596 9.080 ( 0.000 1.083 0.495) 1.191 9.190 ( 0.000 4.045 -0.707) 4.107 9.255 ( 0.000 -3.157 -4.397) 5.413 9.685 ( 0.000 -7.654 0.609) 7.678 9.838 ( 0.000 -2.829 -1.613) 3.257 10.004 ( 0.000 -12.454 -4.637) 13.290 10.137 ( 0.000 -3.635 -9.350) 10.031 10.500 ( 0.000 -2.393 4.622) 5.205 10.580 ( 0.000 -0.769 -0.791) 1.103 10.681 ( 0.000 3.933 -1.003) 4.059 10.810 ( 0.000 -14.470 -7.042) 16.092 10.927 ( 0.000 6.247 -2.991) 6.926 11.201 ( 0.000 -14.717 -4.343) 15.345 11.604 ( 0.000 -17.134 -5.762) 18.076 11.836 ( 0.000 0.648 2.805) 2.879 11.898 ( 0.000 2.873 4.194) 5.084 11.974 ( 0.000 2.570 7.528) 7.955 12.455 ( 0.000 -10.519 5.302) 11.780 12.533 ( 0.000 -3.319 -1.338) 3.578 13.000 ( 0.000 -5.272 2.334) 5.766 13.042 ( 0.000 4.309 -3.319) 5.439 13.237 ( 0.000 -6.050 -2.168) 6.426 13.314 ( 0.000 4.446 5.978) 7.450 13.449 ( 0.000 7.984 -1.652) 8.153 13.994 ( 0.000 -1.633 -7.439) 7.616 14.233 ( 0.000 -9.897 -9.871) 13.978 14.303 ( 0.000 20.313 -8.458) 22.004 14.888 ( 0.000 -5.578 2.457) 6.095 15.017 ( 0.000 8.346 8.281) 11.757 15.677 ( 0.000 -9.600 22.485) 24.448 15.835 ( 0.000 -6.844 -3.150) 7.534 16.456 ( 0.000 -17.574 3.855) 17.992 19.154 ( 0.000 14.810 0.001) 14.810 19.188 ( 0.000 16.252 0.624) 16.264 19.513 ( 0.000 21.363 -2.484) 21.507 20.357 ( 0.000 -7.801 1.417) 7.928 20.655 ( 0.000 0.328 0.430) 0.541 21.373 ( 0.000 11.626 -36.617) 38.419 21.707 ( 0.000 3.762 -4.361) 5.759 21.801 ( 0.000 2.631 -13.717) 13.967 22.392 ( 0.000 -2.283 -0.689) 2.384 22.547 ( 0.000 -2.081 -5.610) 5.983 22.644 ( 0.000 0.556 0.592) 0.812 22.690 ( 0.000 -0.644 2.500) 2.581 23.025 ( 0.000 0.698 11.739) 11.760 23.434 ( 0.000 -13.719 20.876) 24.980 23.854 ( 0.000 2.401 0.381) 2.431 24.451 ( 0.000 -11.455 -1.513) 11.554 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 12.213 23.197 10.978) 28.422 1.898 ( 11.671 24.617 28.523) 39.443 2.567 ( 0.217 27.661 -3.028) 27.827 2.598 ( -2.044 24.833 1.585) 24.968 2.885 ( -6.225 14.503 13.233) 20.596 3.081 ( 8.594 25.658 8.161) 28.263 3.193 ( -11.632 10.542 5.946) 16.786 3.447 ( 2.341 -9.845 9.633) 13.972 3.579 ( 2.905 -2.078 5.929) 6.922 3.994 ( 3.724 5.838 2.737) 7.446 4.118 ( 2.692 5.080 1.954) 6.072 4.125 ( 7.340 -3.092 -0.745) 8.000 4.230 ( 10.142 -11.046 6.754) 16.447 4.585 ( 0.245 2.180 -5.974) 6.364 4.754 ( -11.546 2.492 1.109) 11.864 5.279 ( -7.793 -1.739 -8.802) 11.883 5.484 ( 2.649 12.129 2.049) 12.583 5.645 ( -5.278 3.333 -2.811) 6.846 5.900 ( -0.641 -2.604 -3.831) 4.676 6.032 ( -2.399 -5.417 -2.177) 6.311 6.297 ( 0.722 5.016 -6.239) 8.038 6.561 ( -2.970 -3.230 -11.702) 12.497 6.716 ( -12.779 7.223 -1.157) 14.724 6.926 ( -9.518 3.504 -0.090) 10.143 7.142 ( 5.135 6.993 -2.366) 8.993 7.209 ( 4.238 5.096 0.445) 6.642 7.390 ( 4.141 -1.898 -0.654) 4.602 7.478 ( 1.587 10.386 -0.519) 10.519 7.635 ( 2.829 1.648 0.050) 3.274 7.890 ( -7.111 2.168 -0.870) 7.485 7.957 ( 0.496 7.314 -3.520) 8.133 8.192 ( 0.400 -1.359 -2.300) 2.701 8.277 ( 3.830 15.595 -10.916) 19.418 8.440 ( -0.356 6.719 -10.463) 12.439 8.531 ( 7.450 1.506 -0.568) 7.622 8.949 ( -4.017 6.242 5.026) 8.964 9.065 ( -0.669 -2.472 4.052) 4.793 9.146 ( -2.013 -0.354 0.023) 2.044 9.353 ( 7.658 -0.365 -0.402) 7.677 9.718 ( 2.207 -6.676 1.699) 7.234 9.780 ( -2.747 -4.601 -6.575) 8.482 9.993 ( -3.957 -10.369 -4.727) 12.064 10.173 ( 4.518 -6.568 -5.046) 9.434 10.378 ( -5.528 -0.867 1.043) 5.692 10.575 ( -5.355 -4.765 -1.379) 7.300 10.664 ( -7.240 -9.725 -1.015) 12.167 10.735 ( 1.879 3.908 -2.114) 4.824 11.020 ( 5.233 -0.380 -3.902) 6.538 11.293 ( 8.234 -13.301 -8.451) 17.780 11.653 ( 3.276 -15.402 -4.915) 16.495 11.843 ( -0.379 -5.031 1.007) 5.144 11.925 ( 4.115 3.012 5.056) 7.181 12.012 ( 3.281 2.067 6.388) 7.473 12.273 ( -14.831 -6.672 5.261) 17.092 12.625 ( 8.385 -4.259 -4.765) 10.543 12.959 ( -2.540 -2.710 -1.594) 4.042 13.125 ( 5.512 0.735 0.883) 5.631 13.244 ( 1.317 -4.506 -1.251) 4.858 13.371 ( 0.800 5.938 3.631) 7.006 13.577 ( 14.290 4.702 2.482) 15.247 13.974 ( -1.408 -1.840 -8.062) 8.389 14.191 ( -3.495 -7.447 -8.453) 11.795 14.258 ( -4.327 14.556 -6.281) 16.433 14.768 ( -10.471 -3.467 1.797) 11.175 15.074 ( 3.774 6.963 7.693) 11.041 15.427 ( -14.062 1.675 12.967) 19.201 16.071 ( 13.313 -15.538 4.417) 20.932 16.439 ( -1.850 -17.982 3.886) 18.490 19.153 ( -0.125 14.865 0.047) 14.866 19.176 ( -1.032 15.965 0.495) 16.006 19.581 ( 7.004 21.949 -2.608) 23.186 20.324 ( -5.198 -5.794 0.464) 7.798 20.633 ( -2.220 2.360 -1.559) 3.596 20.958 ( -27.672 27.462 -18.233) 43.038 21.644 ( 3.242 -8.304 -4.153) 9.835 22.033 ( 3.522 -2.705 -12.166) 12.951 22.340 ( -1.669 0.411 -2.234) 2.819 22.540 ( -3.659 0.036 1.208) 3.853 22.574 ( -0.617 -1.469 -0.972) 1.866 22.677 ( -1.989 -1.548 2.649) 3.657 23.168 ( 12.319 1.721 7.693) 14.625 23.630 ( 9.058 -7.161 0.801) 11.574 23.894 ( 8.632 -7.028 6.551) 12.916 24.430 ( -2.423 -12.396 -1.918) 12.776 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 17.373 12.076 9.843) 23.335 2.147 ( 12.182 16.322 24.201) 31.631 2.515 ( -4.240 19.289 5.979) 20.635 2.589 ( -2.155 21.790 6.382) 22.807 2.688 ( -8.632 23.616 11.387) 27.602 2.789 ( -16.679 26.832 5.252) 32.027 3.432 ( 9.942 -5.920 3.652) 12.134 3.561 ( -3.883 -7.142 6.391) 10.340 3.648 ( 21.101 14.862 4.950) 26.280 3.996 ( -6.222 3.256 0.751) 7.062 4.134 ( 0.826 2.628 0.088) 2.756 4.230 ( -13.555 6.314 -1.117) 14.996 4.426 ( 15.951 0.216 -1.659) 16.038 4.497 ( 9.409 -2.748 1.616) 9.934 4.777 ( 2.254 -1.774 -0.467) 2.907 4.993 ( -19.793 -3.161 -8.340) 21.710 5.511 ( 1.382 5.199 2.588) 5.970 5.568 ( -3.147 2.213 -1.240) 4.042 5.885 ( 0.904 -4.831 -1.417) 5.115 5.957 ( -5.241 -5.424 0.864) 7.592 6.333 ( 3.633 4.709 -4.002) 7.169 6.461 ( -10.845 7.037 -0.629) 12.943 6.583 ( 5.183 2.705 -9.302) 10.987 6.731 ( -9.880 5.249 -6.202) 12.792 7.260 ( 5.505 2.687 -1.849) 6.399 7.304 ( 2.104 3.630 0.534) 4.229 7.497 ( 6.313 1.088 -2.448) 6.858 7.547 ( 6.988 13.751 -1.551) 15.503 7.609 ( -4.139 2.858 0.454) 5.050 7.730 ( -9.772 10.315 0.825) 14.233 8.025 ( 5.873 7.199 -1.752) 9.455 8.139 ( -5.415 2.285 -1.497) 6.065 8.349 ( 3.978 12.567 -10.685) 16.968 8.417 ( -2.621 11.039 -14.531) 18.436 8.685 ( 8.506 2.384 2.207) 9.105 8.838 ( -7.411 4.142 1.625) 8.644 9.077 ( 1.797 -3.208 5.659) 6.749 9.114 ( -1.784 -2.451 2.254) 3.778 9.522 ( 9.788 -0.950 0.281) 9.838 9.680 ( -5.780 -2.342 -4.240) 7.541 9.801 ( 3.060 -10.147 -1.382) 10.688 9.883 ( -5.883 -10.527 -3.211) 12.480 10.288 ( 7.069 -8.131 -2.966) 11.175 10.351 ( 2.148 -3.052 0.311) 3.745 10.437 ( -7.258 -9.960 -4.254) 13.038 10.480 ( -9.346 -5.689 0.956) 10.983 10.876 ( 10.070 1.281 -2.514) 10.458 11.031 ( -4.574 -2.618 -4.122) 6.691 11.470 ( 10.316 -7.672 -8.957) 15.668 11.644 ( -5.796 -10.492 -5.472) 13.176 11.853 ( 2.054 -6.870 0.513) 7.188 11.935 ( -6.238 -4.893 -0.066) 7.929 12.059 ( 2.802 2.504 7.905) 8.752 12.098 ( -1.474 -6.060 7.262) 9.572 12.792 ( 8.121 -5.132 -8.859) 13.068 12.903 ( -3.863 -4.166 -6.240) 8.439 13.199 ( 2.902 1.862 -0.071) 3.449 13.262 ( -2.505 3.205 -1.108) 4.216 13.438 ( 10.139 2.434 7.233) 12.690 13.658 ( -9.153 3.778 6.824) 12.026 14.085 ( 9.832 -2.346 -7.271) 12.452 14.139 ( -1.513 -2.253 -6.704) 7.232 14.218 ( 5.978 2.742 -3.188) 7.309 14.511 ( -16.754 -3.740 -0.580) 17.177 15.141 ( 3.671 8.473 7.950) 12.185 15.233 ( -6.848 8.193 9.572) 14.340 16.271 ( 8.018 -18.739 4.157) 20.802 16.383 ( -4.239 -18.794 3.950) 19.667 19.152 ( 0.104 15.067 0.164) 15.069 19.159 ( -0.687 15.457 0.315) 15.475 19.773 ( 13.517 22.214 -3.351) 26.218 20.082 ( -18.241 14.730 -4.176) 23.815 20.602 ( 0.381 6.733 -2.859) 7.325 20.659 ( -6.227 10.247 -1.536) 12.089 21.756 ( 8.139 -8.497 -4.354) 12.546 21.931 ( -9.695 -7.345 -5.133) 13.202 22.383 ( 3.989 1.768 -1.870) 4.747 22.458 ( -4.094 1.121 1.499) 4.501 22.597 ( 1.887 -2.228 -0.754) 3.016 22.636 ( -2.164 -2.090 1.091) 3.200 23.408 ( 12.220 2.874 3.148) 12.942 23.601 ( -7.672 2.873 -1.380) 8.308 24.160 ( 13.721 -17.249 0.758) 22.054 24.349 ( -6.652 -14.900 -2.162) 16.460 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 0.000 25.951 0.763) 25.962 2.358 ( 0.000 28.445 17.919) 33.618 2.845 ( 0.000 0.520 -3.589) 3.626 2.961 ( 0.000 5.305 8.640) 10.139 3.183 ( 0.000 9.821 8.182) 12.782 3.269 ( 0.000 4.137 10.921) 11.678 3.345 ( 0.000 -12.553 6.463) 14.119 3.546 ( 0.000 5.406 9.865) 11.249 3.595 ( 0.000 12.439 7.379) 14.463 3.771 ( 0.000 -4.010 16.602) 17.080 4.055 ( 0.000 -11.220 1.250) 11.289 4.103 ( 0.000 16.043 2.146) 16.186 4.325 ( 0.000 10.770 4.293) 11.594 4.502 ( 0.000 2.227 0.060) 2.228 5.044 ( 0.000 0.968 -3.716) 3.840 5.223 ( 0.000 -10.770 -7.053) 12.874 5.624 ( 0.000 2.127 -2.887) 3.585 5.813 ( 0.000 4.140 -8.783) 9.710 5.978 ( 0.000 0.961 -5.453) 5.537 5.979 ( 0.000 10.761 -0.007) 10.761 6.422 ( 0.000 5.114 -6.172) 8.016 6.508 ( 0.000 -4.046 -12.862) 13.483 6.803 ( 0.000 -1.596 -14.485) 14.572 6.952 ( 0.000 -13.835 -11.180) 17.788 7.256 ( 0.000 6.200 4.889) 7.896 7.293 ( 0.000 5.525 4.646) 7.219 7.483 ( 0.000 7.156 -2.555) 7.598 7.529 ( 0.000 4.883 -4.802) 6.849 7.787 ( 0.000 12.016 4.905) 12.979 7.963 ( 0.000 0.091 4.222) 4.222 8.014 ( 0.000 -0.951 -6.759) 6.826 8.054 ( 0.000 -1.722 5.153) 5.433 8.452 ( 0.000 1.004 4.037) 4.160 8.472 ( 0.000 -0.315 -7.202) 7.209 8.695 ( 0.000 20.154 -10.290) 22.628 9.087 ( 0.000 -1.635 -1.413) 2.161 9.118 ( 0.000 8.206 5.343) 9.792 9.192 ( 0.000 -1.530 -5.289) 5.506 9.370 ( 0.000 9.351 -8.395) 12.566 9.506 ( 0.000 -4.013 -2.868) 4.933 9.724 ( 0.000 -13.504 -5.339) 14.521 9.873 ( 0.000 6.478 3.786) 7.504 10.036 ( 0.000 -6.687 -11.961) 13.703 10.362 ( 0.000 -17.797 -3.392) 18.117 10.394 ( 0.000 -8.554 2.049) 8.796 10.470 ( 0.000 -10.270 -7.060) 12.463 10.823 ( 0.000 -8.577 6.021) 10.480 10.980 ( 0.000 13.528 -4.626) 14.297 11.149 ( 0.000 -19.420 2.817) 19.623 11.262 ( 0.000 14.498 -3.930) 15.022 11.703 ( 0.000 -9.342 1.049) 9.401 11.927 ( 0.000 -4.961 -2.609) 5.606 12.180 ( 0.000 9.964 0.980) 10.012 12.283 ( 0.000 -3.997 10.913) 11.622 12.491 ( 0.000 1.089 8.415) 8.485 12.851 ( 0.000 -9.009 6.113) 10.887 13.085 ( 0.000 0.213 -2.473) 2.482 13.129 ( 0.000 -3.766 -1.955) 4.244 13.450 ( 0.000 8.700 1.512) 8.830 13.602 ( 0.000 6.186 -2.245) 6.581 13.927 ( 0.000 -4.193 -5.445) 6.873 14.003 ( 0.000 -11.239 -7.940) 13.760 14.597 ( 0.000 7.721 1.200) 7.813 14.777 ( 0.000 -4.656 2.570) 5.318 15.221 ( 0.000 11.789 -0.160) 11.790 15.645 ( 0.000 4.661 11.445) 12.358 15.672 ( 0.000 -8.585 -4.103) 9.515 16.111 ( 0.000 -15.267 5.560) 16.248 19.496 ( 0.000 17.194 0.065) 17.194 19.531 ( 0.000 15.423 0.894) 15.448 19.828 ( 0.000 6.710 -1.034) 6.789 20.147 ( 0.000 -12.261 0.922) 12.295 20.739 ( 0.000 8.971 -2.222) 9.242 21.307 ( 0.000 -11.520 -9.674) 15.043 21.792 ( 0.000 4.262 -6.542) 7.808 21.895 ( 0.000 2.333 -19.657) 19.795 22.372 ( 0.000 0.934 -2.761) 2.915 22.493 ( 0.000 -3.052 -5.288) 6.106 22.656 ( 0.000 0.582 0.994) 1.151 22.678 ( 0.000 -0.532 2.079) 2.146 23.051 ( 0.000 1.974 11.592) 11.759 23.223 ( 0.000 -7.167 15.971) 17.505 23.929 ( 0.000 4.789 -1.156) 4.927 24.231 ( 0.000 -9.535 -2.819) 9.943 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 2.492 22.332 5.775) 23.201 2.462 ( 6.308 27.834 18.372) 33.941 2.852 ( 1.825 -0.437 0.621) 1.976 2.925 ( -2.875 7.674 4.658) 9.426 3.157 ( -5.639 -0.393 14.905) 15.941 3.325 ( 6.005 19.203 4.787) 20.682 3.383 ( 2.554 -7.611 6.177) 10.129 3.503 ( -2.659 -2.286 6.997) 7.827 3.584 ( -0.658 15.671 5.959) 16.779 3.789 ( 2.991 -7.536 11.828) 14.340 4.137 ( 8.105 -6.335 0.775) 10.316 4.179 ( 5.616 11.779 1.277) 13.112 4.368 ( 4.732 7.854 5.491) 10.688 4.567 ( 6.058 -0.342 -0.815) 6.122 4.858 ( -15.758 3.921 -3.897) 16.699 5.124 ( -10.197 -12.472 -7.001) 17.566 5.631 ( -0.700 1.585 -3.955) 4.318 5.761 ( -4.214 5.258 -5.011) 8.397 5.868 ( -9.315 3.676 -2.783) 10.394 5.958 ( -3.093 -0.133 -1.738) 3.550 6.420 ( 0.419 4.274 -6.160) 7.509 6.548 ( 5.344 3.004 -11.864) 13.354 6.804 ( -1.120 -1.210 -11.961) 12.074 6.952 ( -7.518 -1.368 -5.942) 9.680 7.231 ( 1.724 2.065 4.201) 4.989 7.296 ( 5.738 0.701 -2.754) 6.403 7.455 ( -1.453 9.528 -3.644) 10.304 7.640 ( 4.911 2.568 -7.929) 9.674 7.784 ( 0.465 11.536 8.521) 14.349 7.905 ( -2.358 2.597 3.663) 5.071 8.057 ( 2.673 2.221 0.520) 3.514 8.130 ( 4.749 -3.711 3.012) 6.737 8.461 ( 3.501 1.147 0.425) 3.709 8.567 ( 7.467 0.223 -9.812) 12.332 8.710 ( 1.202 18.156 -10.191) 20.855 9.029 ( -5.680 -0.981 -0.312) 5.773 9.128 ( 0.251 6.995 4.822) 8.499 9.158 ( -2.941 3.377 -3.847) 5.904 9.400 ( 3.179 2.379 -6.844) 7.912 9.538 ( 2.824 -3.949 -4.156) 6.391 9.699 ( -2.428 -9.823 -4.275) 10.984 9.833 ( -4.394 2.993 -3.909) 6.598 10.046 ( 1.701 -6.752 -4.655) 8.376 10.255 ( -6.402 -12.954 -4.173) 15.040 10.351 ( -2.545 -5.614 0.996) 6.244 10.521 ( -2.037 -7.049 -0.942) 7.398 10.770 ( -1.436 -9.691 2.716) 10.166 11.037 ( -2.743 -12.607 -1.067) 12.946 11.111 ( 6.602 8.523 -2.466) 11.060 11.367 ( 5.695 1.885 -0.442) 6.015 11.690 ( -1.021 -9.391 -0.243) 9.449 11.903 ( -3.624 -7.733 -1.574) 8.684 12.156 ( -1.568 6.470 5.630) 8.719 12.278 ( 1.083 7.006 3.736) 8.013 12.528 ( 3.494 -3.030 2.975) 5.499 12.838 ( -2.218 -8.263 3.211) 9.139 13.137 ( 5.492 0.130 0.658) 5.533 13.168 ( 5.082 -2.559 -0.224) 5.694 13.502 ( 0.678 7.281 4.179) 8.422 13.693 ( 10.645 6.076 -3.306) 12.695 13.878 ( -4.793 -6.961 -3.036) 8.981 13.996 ( 0.901 -8.960 -7.294) 11.589 14.491 ( -10.005 6.599 -1.176) 12.043 14.672 ( -10.377 -4.699 1.528) 11.493 15.277 ( 4.787 11.949 1.222) 12.930 15.539 ( -5.239 7.724 5.998) 11.095 15.804 ( 7.543 -10.632 1.899) 13.174 16.090 ( -2.217 -15.353 5.173) 16.352 19.494 ( -0.141 17.095 0.113) 17.096 19.519 ( -1.034 15.803 0.736) 15.854 19.875 ( 4.603 4.458 -0.865) 6.466 20.133 ( -1.565 -11.756 0.797) 11.887 20.756 ( 2.191 11.148 -2.854) 11.714 21.323 ( -2.442 -1.595 -12.473) 12.809 21.500 ( -14.611 4.580 -4.901) 16.077 21.922 ( -5.964 -7.620 -9.895) 13.840 22.376 ( 1.706 2.775 -3.502) 4.783 22.507 ( 1.115 -2.741 -2.876) 4.126 22.575 ( -4.883 1.105 2.883) 5.777 22.641 ( -3.120 -1.778 2.855) 4.588 23.218 ( 14.086 3.165 7.302) 16.178 23.443 ( 18.070 -8.297 6.782) 21.008 23.889 ( -4.105 3.750 0.301) 5.569 24.192 ( -4.260 -10.204 -2.609) 11.361 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 8.804 15.733 10.067) 20.649 2.509 ( -2.712 16.631 17.884) 24.572 2.862 ( -0.355 17.119 6.385) 18.274 2.902 ( -1.812 12.177 12.106) 17.266 3.102 ( 4.484 -7.875 7.857) 11.994 3.274 ( -10.362 -7.525 8.829) 15.555 3.421 ( 3.990 25.703 4.309) 26.365 3.491 ( -2.927 26.101 3.127) 26.450 3.690 ( 11.936 -11.051 2.969) 16.535 3.842 ( -1.170 -14.986 4.839) 15.791 4.236 ( 3.524 4.597 -0.863) 5.856 4.290 ( 1.373 -0.525 -0.897) 1.722 4.490 ( 6.675 1.235 2.233) 7.146 4.582 ( -5.768 4.463 -4.376) 8.505 4.710 ( 5.283 -3.109 -2.126) 6.488 4.892 ( -12.842 -8.484 -6.114) 16.561 5.593 ( -1.072 2.799 -2.859) 4.142 5.655 ( -6.708 6.732 0.323) 9.509 5.779 ( 1.786 -2.647 -1.656) 3.597 5.867 ( -5.947 -1.646 1.046) 6.259 6.480 ( 6.154 7.283 -3.733) 10.240 6.651 ( -10.640 9.145 -3.909) 14.564 6.682 ( 6.852 4.070 -10.537) 13.212 6.821 ( -6.332 1.439 -10.974) 12.751 7.285 ( 4.865 1.860 0.863) 5.280 7.388 ( -4.844 6.038 -3.756) 8.604 7.496 ( 10.485 -2.461 -7.721) 13.251 7.644 ( -4.478 -0.269 -9.097) 10.143 7.826 ( 3.322 10.603 9.654) 14.719 7.875 ( -1.664 7.566 6.590) 10.170 8.118 ( 3.788 1.271 3.233) 5.139 8.170 ( -0.728 -0.476 3.934) 4.029 8.584 ( 8.166 5.808 -7.330) 12.415 8.681 ( 0.351 8.539 -15.469) 17.672 8.745 ( 5.206 5.842 -5.203) 9.397 8.888 ( -8.622 -0.558 1.247) 8.730 9.107 ( -1.097 4.032 -2.874) 5.071 9.118 ( -1.605 8.290 4.370) 9.508 9.495 ( 6.491 -7.180 -6.433) 11.622 9.577 ( -0.081 -7.998 -5.300) 9.595 9.653 ( -1.108 -2.595 -2.765) 3.951 9.717 ( -6.826 4.227 -6.735) 10.480 10.116 ( 5.067 -10.026 -3.310) 11.711 10.182 ( -2.028 -10.934 -5.274) 12.308 10.316 ( -0.321 -0.685 4.024) 4.095 10.391 ( -8.150 -0.262 4.800) 9.462 10.820 ( 5.489 -13.698 0.498) 14.765 10.939 ( -6.344 -14.466 -0.019) 15.796 11.286 ( 9.208 1.938 -2.429) 9.718 11.404 ( -2.391 -1.071 0.358) 2.644 11.693 ( 2.269 -8.921 -1.693) 9.359 11.785 ( -7.054 -9.002 -0.025) 11.436 12.191 ( 4.391 9.760 3.455) 11.246 12.269 ( -2.845 12.620 2.547) 13.185 12.631 ( 7.082 -9.283 -4.439) 12.491 12.759 ( -5.903 -8.896 -2.692) 11.010 13.248 ( 6.898 2.773 1.313) 7.549 13.331 ( 5.978 2.035 2.735) 6.881 13.455 ( 0.185 0.916 6.464) 6.531 13.652 ( -12.507 -3.846 4.567) 13.859 14.041 ( 17.126 -1.274 -3.036) 17.440 14.075 ( 7.138 -2.100 -6.618) 9.958 14.286 ( -9.669 2.416 -4.405) 10.897 14.415 ( -16.246 -4.709 -0.397) 16.920 15.370 ( 4.734 12.616 3.613) 13.950 15.453 ( -4.246 12.044 5.546) 13.923 15.933 ( 6.052 -14.273 2.730) 15.742 16.029 ( -4.212 -15.329 4.080) 16.412 19.493 ( 0.125 16.836 0.261) 16.838 19.501 ( -0.725 16.416 0.482) 16.439 19.980 ( 6.048 -1.701 -0.463) 6.299 20.080 ( -4.198 -8.585 0.240) 9.559 20.841 ( 7.466 16.697 -4.358) 18.802 21.058 ( -15.725 20.654 -7.591) 27.046 21.530 ( 8.959 -13.053 -4.539) 16.469 21.733 ( -11.815 -11.618 -5.753) 17.541 22.428 ( 3.173 2.464 -1.255) 4.209 22.489 ( -3.304 1.764 1.591) 4.069 22.545 ( 1.786 -2.668 -0.749) 3.297 22.588 ( -2.567 -2.493 1.287) 3.803 23.489 ( 13.523 4.907 2.914) 14.678 23.676 ( -2.242 3.452 -2.043) 4.595 23.862 ( 8.603 -10.175 3.736) 13.839 24.066 ( -9.300 -11.820 -1.311) 15.097 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 0.000 -11.273 -4.200) 12.030 2.677 ( 0.000 11.273 -4.200) 12.030 2.934 ( 0.000 -19.843 8.839) 21.723 2.934 ( 0.000 19.843 8.839) 21.723 3.132 ( 0.000 -5.992 13.432) 14.708 3.132 ( 0.000 5.992 13.432) 14.708 3.442 ( 0.000 -6.272 17.114) 18.227 3.442 ( 0.000 6.272 17.114) 18.227 3.728 ( 0.000 -17.384 4.329) 17.915 3.728 ( 0.000 17.384 4.329) 17.915 4.212 ( 0.000 -20.127 5.085) 20.759 4.212 ( 0.000 20.127 5.085) 20.759 4.454 ( 0.000 -9.292 0.953) 9.341 4.454 ( 0.000 9.292 0.954) 9.341 5.047 ( 0.000 -1.984 -3.385) 3.924 5.047 ( 0.000 1.984 -3.385) 3.924 5.755 ( 0.000 -6.472 -9.647) 11.617 5.755 ( 0.000 6.472 -9.647) 11.617 6.065 ( 0.000 -4.578 -4.467) 6.396 6.065 ( 0.000 4.578 -4.467) 6.396 6.503 ( 0.000 -0.922 -5.971) 6.042 6.503 ( 0.000 0.922 -5.971) 6.042 6.751 ( 0.000 -0.813 -15.791) 15.812 6.751 ( 0.000 0.813 -15.791) 15.812 7.323 ( 0.000 -0.830 4.365) 4.443 7.323 ( 0.000 0.830 4.365) 4.443 7.591 ( 0.000 -1.545 -4.719) 4.965 7.591 ( 0.000 1.545 -4.719) 4.965 7.949 ( 0.000 -3.834 1.440) 4.095 7.949 ( 0.000 3.834 1.440) 4.095 8.016 ( 0.000 -3.529 4.915) 6.051 8.016 ( 0.000 3.529 4.915) 6.051 8.477 ( 0.000 -0.099 -0.127) 0.161 8.477 ( 0.000 0.099 -0.127) 0.161 8.989 ( 0.000 -7.922 -6.528) 10.265 8.989 ( 0.000 7.922 -6.528) 10.265 9.212 ( 0.000 -1.890 -7.714) 7.942 9.212 ( 0.000 1.890 -7.714) 7.942 9.453 ( 0.000 -10.988 2.042) 11.176 9.453 ( 0.000 10.988 2.042) 11.176 9.761 ( 0.000 -17.524 -12.189) 21.347 9.761 ( 0.000 17.524 -12.189) 21.347 10.110 ( 0.000 -13.519 -1.018) 13.558 10.110 ( 0.000 13.519 -1.018) 13.558 10.259 ( 0.000 -4.372 -2.288) 4.934 10.259 ( 0.000 4.372 -2.288) 4.934 10.810 ( 0.000 -7.005 7.941) 10.589 10.810 ( 0.000 7.005 7.941) 10.589 11.326 ( 0.000 -12.545 -7.022) 14.377 11.326 ( 0.000 12.545 -7.022) 14.377 11.703 ( 0.000 -12.545 1.471) 12.631 11.703 ( 0.000 12.545 1.471) 12.631 12.267 ( 0.000 -0.033 5.581) 5.581 12.267 ( 0.000 0.033 5.581) 5.581 12.636 ( 0.000 -10.704 9.168) 14.093 12.636 ( 0.000 10.704 9.168) 14.093 13.086 ( 0.000 -0.558 -1.909) 1.989 13.086 ( 0.000 0.558 -1.909) 1.989 13.634 ( 0.000 -6.099 -1.563) 6.296 13.634 ( 0.000 6.099 -1.563) 6.296 13.854 ( 0.000 -0.340 -5.891) 5.901 13.854 ( 0.000 0.340 -5.891) 5.901 14.696 ( 0.000 -3.412 3.413) 4.826 14.696 ( 0.000 3.412 3.413) 4.826 15.471 ( 0.000 -10.955 -4.678) 11.911 15.471 ( 0.000 10.955 -4.678) 11.911 15.824 ( 0.000 -11.741 7.957) 14.183 15.824 ( 0.000 11.741 7.957) 14.183 19.791 ( 0.000 -7.930 0.500) 7.946 19.791 ( 0.000 7.930 0.500) 7.946 19.850 ( 0.000 -15.383 0.535) 15.392 19.850 ( 0.000 15.383 0.535) 15.392 21.012 ( 0.000 -15.273 -5.124) 16.110 21.012 ( 0.000 15.273 -5.124) 16.110 21.875 ( 0.000 -3.222 -10.979) 11.442 21.875 ( 0.000 3.222 -10.979) 11.442 22.424 ( 0.000 -3.340 -5.054) 6.058 22.424 ( 0.000 3.340 -5.054) 6.058 22.667 ( 0.000 -0.484 1.569) 1.642 22.667 ( 0.000 0.484 1.569) 1.642 23.111 ( 0.000 -3.864 12.559) 13.140 23.111 ( 0.000 3.864 12.559) 13.140 24.055 ( 0.000 -7.231 -2.377) 7.611 24.055 ( 0.000 7.231 -2.377) 7.611 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -0.005 -15.010 2.092) 15.155 2.658 ( -0.005 15.010 2.092) 15.155 2.994 ( -0.679 -19.736 13.733) 24.053 2.994 ( -0.679 19.736 13.733) 24.053 3.124 ( 3.780 -12.690 4.964) 14.141 3.124 ( 3.780 12.690 4.964) 14.141 3.432 ( 0.639 -8.773 15.044) 17.427 3.432 ( 0.639 8.773 15.044) 17.427 3.827 ( 8.160 -20.075 2.610) 21.827 3.827 ( 8.160 20.075 2.610) 21.827 4.192 ( -2.268 -20.455 4.688) 21.107 4.192 ( -2.268 20.455 4.688) 21.107 4.498 ( 4.148 -8.359 0.318) 9.337 4.498 ( 4.148 8.359 0.318) 9.337 4.916 ( -11.936 -4.239 -4.013) 13.286 4.916 ( -11.936 4.239 -4.013) 13.286 5.733 ( -2.318 -5.167 -8.872) 10.525 5.733 ( -2.318 5.167 -8.872) 10.525 5.958 ( -8.848 -2.437 -2.175) 9.432 5.958 ( -8.848 2.437 -2.175) 9.432 6.520 ( 3.437 -6.041 -6.676) 9.637 6.520 ( 3.437 6.041 -6.676) 9.637 6.855 ( 4.685 -7.290 -13.955) 16.427 6.855 ( 4.685 7.290 -13.955) 16.427 7.271 ( -0.995 -2.044 3.404) 4.093 7.271 ( -0.995 2.044 3.404) 4.093 7.623 ( 0.370 -4.770 -8.265) 9.549 7.623 ( 0.370 4.770 -8.265) 9.549 7.956 ( 2.070 -4.131 7.790) 9.057 7.956 ( 2.070 4.131 7.790) 9.057 8.064 ( 3.134 -1.445 4.961) 6.043 8.064 ( 3.134 1.445 4.961) 6.043 8.519 ( 5.027 -4.320 -3.108) 7.321 8.519 ( 5.027 4.320 -3.108) 7.321 8.963 ( -3.121 -5.929 -6.561) 9.377 8.963 ( -3.121 5.929 -6.561) 9.377 9.225 ( 1.494 -6.068 -7.266) 9.584 9.225 ( 1.494 6.068 -7.266) 9.584 9.425 ( -2.929 -10.892 -0.744) 11.304 9.425 ( -2.929 10.892 -0.744) 11.304 9.774 ( 1.694 -14.482 -10.321) 17.864 9.774 ( 1.694 14.482 -10.321) 17.864 10.053 ( -4.962 -11.679 -4.204) 13.367 10.053 ( -4.962 11.679 -4.204) 13.367 10.313 ( 4.658 -7.683 2.354) 9.288 10.313 ( 4.658 7.683 2.354) 9.288 10.736 ( -7.006 -8.857 7.088) 13.333 10.736 ( -7.006 8.857 7.088) 13.333 11.374 ( 4.364 -11.839 -5.354) 13.707 11.374 ( 4.364 11.839 -5.354) 13.707 11.668 ( -3.790 -11.778 2.027) 12.538 11.668 ( -3.790 11.778 2.027) 12.538 12.286 ( 3.270 -5.305 2.140) 6.589 12.286 ( 3.270 5.305 2.140) 6.589 12.633 ( -1.672 -10.446 6.220) 12.272 12.633 ( -1.672 10.446 6.220) 12.272 13.138 ( 6.093 -0.423 0.548) 6.132 13.138 ( 6.093 0.423 0.548) 6.132 13.681 ( -0.288 -9.297 1.758) 9.466 13.681 ( -0.288 9.297 1.758) 9.466 13.838 ( 3.176 -6.417 -6.892) 9.938 13.838 ( 3.176 6.417 -6.892) 9.938 14.586 ( -10.697 -3.681 1.051) 11.361 14.586 ( -10.697 3.681 1.051) 11.361 15.528 ( 5.258 -10.760 -2.326) 12.200 15.528 ( 5.258 10.760 -2.326) 12.200 15.800 ( -2.453 -11.611 7.147) 13.853 15.800 ( -2.453 11.611 7.147) 13.853 19.797 ( 0.578 -9.447 0.475) 9.476 19.797 ( 0.578 9.447 0.475) 9.476 19.844 ( -0.582 -15.177 0.523) 15.197 19.844 ( -0.582 15.177 0.523) 15.197 21.060 ( 5.182 -15.865 -5.087) 17.448 21.060 ( 5.182 15.865 -5.087) 17.448 21.727 ( -13.627 -10.852 -9.095) 19.651 21.727 ( -13.627 10.852 -9.095) 19.651 22.442 ( 1.749 -3.285 -3.430) 5.061 22.442 ( 1.749 3.285 -3.430) 5.061 22.605 ( -4.266 -1.646 2.983) 5.459 22.605 ( -4.266 1.646 2.983) 5.459 23.304 ( 16.245 -5.177 7.203) 18.509 23.304 ( 16.245 5.177 7.203) 18.509 24.007 ( -5.113 -7.345 -1.891) 9.147 24.007 ( -5.113 7.345 -1.891) 9.147 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 5.928 -14.897 9.308) 18.539 2.714 ( 5.928 14.897 9.308) 18.539 2.863 ( -9.145 -14.899 14.218) 22.533 2.863 ( -9.145 14.899 14.218) 22.533 3.293 ( 10.178 -18.797 3.686) 21.691 3.293 ( 10.178 18.797 3.686) 21.691 3.429 ( -3.106 -18.504 9.390) 20.981 3.429 ( -3.106 18.504 9.390) 20.981 3.986 ( 8.301 -22.583 1.524) 24.109 3.986 ( 8.301 22.583 1.524) 24.109 4.120 ( -5.584 -21.977 3.254) 22.908 4.120 ( -5.584 21.977 3.254) 22.908 4.580 ( 4.350 -7.341 -2.891) 9.010 4.580 ( 4.350 7.341 -2.891) 9.010 4.697 ( -9.285 -6.838 -4.834) 12.504 4.697 ( -9.285 6.838 -4.834) 12.504 5.709 ( 1.427 -5.597 -3.917) 6.979 5.709 ( 1.427 5.597 -3.917) 6.979 5.800 ( -7.358 -5.876 -0.598) 9.435 5.800 ( -7.358 5.876 -0.598) 9.435 6.634 ( 8.203 -7.068 -6.475) 12.616 6.634 ( 8.203 7.068 -6.475) 12.616 6.800 ( -8.274 -4.028 -7.595) 11.932 6.800 ( -8.274 4.028 -7.595) 11.932 7.377 ( 9.892 -6.816 -4.732) 12.911 7.377 ( 9.892 6.816 -4.732) 12.911 7.552 ( -7.463 -7.717 -8.700) 13.818 7.552 ( -7.463 7.717 -8.700) 13.818 8.025 ( 4.269 -6.322 10.205) 12.741 8.025 ( 4.269 6.322 10.205) 12.741 8.084 ( -1.346 -5.931 8.610) 10.541 8.084 ( -1.346 5.931 8.610) 10.541 8.672 ( 10.396 -4.317 -7.003) 13.257 8.672 ( 10.396 4.317 -7.003) 13.257 8.858 ( -8.200 -2.006 -6.933) 10.924 8.858 ( -8.200 2.007 -6.933) 10.924 9.273 ( 3.604 -9.792 -6.257) 12.167 9.273 ( 3.604 9.792 -6.257) 12.167 9.352 ( -4.434 -10.803 -4.583) 12.545 9.352 ( -4.434 10.803 -4.583) 12.545 9.835 ( 4.796 -10.577 -7.967) 14.084 9.835 ( 4.796 10.577 -7.967) 14.084 9.944 ( -6.297 -10.164 -6.623) 13.669 9.944 ( -6.297 10.164 -6.623) 13.669 10.424 ( 7.269 -9.972 6.284) 13.848 10.424 ( 7.269 9.972 6.284) 13.848 10.580 ( -8.888 -10.729 6.951) 15.570 10.580 ( -8.888 10.729 6.951) 15.570 11.468 ( 5.366 -9.997 -2.174) 11.552 11.468 ( 5.366 9.997 -2.174) 11.552 11.573 ( -5.730 -9.780 0.952) 11.375 11.573 ( -5.730 9.780 0.952) 11.375 12.401 ( 8.074 -8.689 -1.402) 11.944 12.401 ( 8.074 8.689 -1.402) 11.944 12.550 ( -6.887 -9.928 0.398) 12.090 12.550 ( -6.887 9.928 0.398) 12.090 13.310 ( 11.466 -2.886 4.199) 12.547 13.310 ( 11.466 2.886 4.199) 12.547 13.536 ( -11.637 -5.990 3.706) 13.603 13.536 ( -11.637 5.990 3.706) 13.603 14.044 ( 14.944 -1.104 -4.494) 15.645 14.044 ( 14.944 1.104 -4.494) 15.645 14.335 ( -15.199 -2.793 -2.300) 15.624 14.335 ( -15.199 2.793 -2.300) 15.624 15.637 ( 5.789 -10.874 1.543) 12.415 15.637 ( 5.789 10.874 1.543) 12.415 15.735 ( -4.471 -11.265 4.876) 13.064 15.735 ( -4.471 11.265 4.876) 13.064 19.811 ( 0.933 -12.192 0.454) 12.236 19.811 ( 0.933 12.192 0.454) 12.236 19.829 ( -0.936 -14.242 0.485) 14.281 19.829 ( -0.936 14.242 0.485) 14.281 21.207 ( 10.432 -16.609 -5.281) 20.312 21.207 ( 10.432 16.610 -5.281) 20.312 21.447 ( -14.701 -15.540 -6.453) 22.344 21.447 ( -14.701 15.540 -6.453) 22.344 22.483 ( 2.536 -2.717 -0.871) 3.818 22.483 ( 2.536 2.717 -0.871) 3.818 22.536 ( -3.121 -2.273 1.509) 4.145 22.536 ( -3.121 2.273 1.509) 4.145 23.615 ( 15.472 -6.905 2.336) 17.103 23.615 ( 15.472 6.905 2.336) 17.103 23.861 ( -10.512 -7.462 -0.410) 12.898 23.861 ( -10.512 7.462 -0.410) 12.898 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.000 0.000 27.410) 27.410 1.481 ( 0.000 0.000 35.825) 35.825 1.748 ( 0.000 0.000 -7.703) 7.703 1.930 ( 0.000 0.000 7.842) 7.842 2.701 ( 0.000 0.000 56.252) 56.252 3.061 ( 0.000 0.000 3.428) 3.428 3.180 ( 0.000 0.000 -8.817) 8.817 3.343 ( 0.000 0.000 24.030) 24.030 3.540 ( 0.000 0.000 -8.781) 8.781 4.017 ( 0.000 0.000 8.197) 8.197 4.141 ( 0.000 0.000 9.384) 9.384 4.150 ( 0.000 0.000 -8.712) 8.712 4.562 ( 0.000 0.000 -2.913) 2.913 4.744 ( 0.000 0.000 -1.187) 1.187 4.759 ( 0.000 0.000 8.931) 8.931 5.075 ( 0.000 0.000 -0.605) 0.605 5.193 ( 0.000 0.000 6.606) 6.606 5.483 ( 0.000 0.000 -7.905) 7.905 5.687 ( 0.000 0.000 -1.530) 1.530 5.701 ( 0.000 0.000 -1.972) 1.972 6.403 ( 0.000 0.000 -3.587) 3.587 6.447 ( 0.000 0.000 0.272) 0.272 6.764 ( 0.000 0.000 -10.312) 10.312 6.784 ( 0.000 0.000 -3.368) 3.368 6.896 ( 0.000 0.000 -16.828) 16.828 7.214 ( 0.000 0.000 -10.785) 10.785 7.300 ( 0.000 0.000 10.300) 10.300 7.347 ( 0.000 0.000 -7.297) 7.297 7.501 ( 0.000 0.000 15.123) 15.123 7.629 ( 0.000 0.000 8.116) 8.116 7.925 ( 0.000 0.000 17.463) 17.463 7.996 ( 0.000 0.000 1.759) 1.759 8.155 ( 0.000 0.000 -7.746) 7.746 8.282 ( 0.000 0.000 -9.154) 9.154 8.287 ( 0.000 0.000 -2.879) 2.879 9.019 ( 0.000 0.000 -1.784) 1.784 9.133 ( 0.000 0.000 10.984) 10.984 9.236 ( 0.000 0.000 -4.520) 4.520 9.285 ( 0.000 0.000 -2.091) 2.091 9.509 ( 0.000 0.000 -12.779) 12.779 10.038 ( 0.000 0.000 -11.546) 11.546 10.041 ( 0.000 0.000 -9.140) 9.140 10.140 ( 0.000 0.000 1.724) 1.724 10.455 ( 0.000 0.000 -0.955) 0.955 10.542 ( 0.000 0.000 -5.272) 5.272 10.785 ( 0.000 0.000 3.287) 3.287 10.824 ( 0.000 0.000 -18.734) 18.734 11.190 ( 0.000 0.000 -16.013) 16.013 11.214 ( 0.000 0.000 -3.152) 3.152 11.337 ( 0.000 0.000 1.352) 1.352 12.087 ( 0.000 0.000 7.084) 7.084 12.127 ( 0.000 0.000 -4.838) 4.838 12.271 ( 0.000 0.000 -15.133) 15.133 12.647 ( 0.000 0.000 4.556) 4.556 12.825 ( 0.000 0.000 -0.599) 0.599 12.832 ( 0.000 0.000 -1.365) 1.365 12.939 ( 0.000 0.000 7.123) 7.123 13.048 ( 0.000 0.000 0.924) 0.924 13.122 ( 0.000 0.000 -4.039) 4.039 13.334 ( 0.000 0.000 -4.511) 4.511 13.462 ( 0.000 0.000 11.291) 11.291 14.060 ( 0.000 0.000 5.607) 5.607 14.183 ( 0.000 0.000 -14.154) 14.154 15.004 ( 0.000 0.000 12.186) 12.186 15.057 ( 0.000 0.000 -1.174) 1.174 15.930 ( 0.000 0.000 -3.641) 3.641 17.050 ( 0.000 0.000 1.387) 1.387 17.458 ( 0.000 0.000 -1.955) 1.955 18.768 ( 0.000 0.000 -0.024) 0.024 18.776 ( 0.000 0.000 -0.235) 0.235 18.794 ( 0.000 0.000 0.462) 0.462 18.817 ( 0.000 0.000 0.299) 0.299 20.563 ( 0.000 0.000 2.799) 2.799 20.725 ( 0.000 0.000 2.426) 2.426 21.542 ( 0.000 0.000 -4.218) 4.218 21.820 ( 0.000 0.000 -1.958) 1.958 22.422 ( 0.000 0.000 -2.825) 2.825 22.478 ( 0.000 0.000 -4.622) 4.622 22.649 ( 0.000 0.000 1.032) 1.032 22.774 ( 0.000 0.000 2.918) 2.918 23.278 ( 0.000 0.000 13.689) 13.689 23.875 ( 0.000 0.000 3.235) 3.235 23.974 ( 0.000 0.000 -5.498) 5.498 24.868 ( 0.000 0.000 -9.359) 9.359 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 11.228 0.000 19.967) 22.908 1.795 ( 3.759 0.000 -0.564) 3.801 1.795 ( 28.046 0.000 28.537) 40.012 1.928 ( 1.701 0.000 4.628) 4.930 2.835 ( 12.233 0.000 47.658) 49.203 2.886 ( -15.476 0.000 2.121) 15.621 3.228 ( 3.016 0.000 -6.021) 6.734 3.232 ( -9.004 0.000 27.767) 29.191 3.486 ( -4.802 0.000 -7.723) 9.094 4.101 ( 1.984 0.000 -0.992) 2.218 4.133 ( 10.560 0.000 5.917) 12.104 4.305 ( 5.179 0.000 -1.014) 5.277 4.491 ( -5.269 0.000 1.727) 5.545 4.696 ( -5.106 0.000 -0.570) 5.138 4.702 ( -3.866 0.000 10.683) 11.360 5.031 ( -1.024 0.000 -3.999) 4.128 5.309 ( 5.859 0.000 -3.310) 6.729 5.589 ( 8.182 0.000 -4.118) 9.160 5.690 ( 0.594 0.000 -1.571) 1.680 5.719 ( 1.143 0.000 -1.575) 1.946 6.396 ( 2.471 0.000 -1.973) 3.162 6.535 ( 6.359 0.000 -1.535) 6.542 6.658 ( -8.751 0.000 -8.117) 11.936 6.766 ( -1.987 0.000 -3.271) 3.827 6.812 ( -17.479 0.000 -10.485) 20.383 7.054 ( 3.832 0.000 -8.381) 9.215 7.158 ( -14.827 0.000 -1.776) 14.933 7.322 ( -2.584 0.000 3.701) 4.514 7.602 ( 6.094 0.000 8.454) 10.422 7.689 ( 2.862 0.000 1.985) 3.484 7.867 ( -4.269 0.000 10.328) 11.176 8.039 ( -9.710 0.000 -9.014) 13.249 8.048 ( 3.826 0.000 7.512) 8.430 8.264 ( -2.422 0.000 -1.314) 2.756 8.388 ( 8.306 0.000 -6.098) 10.305 8.857 ( -9.477 0.000 4.241) 10.383 9.211 ( 1.304 0.000 -5.255) 5.414 9.290 ( 7.604 0.000 5.615) 9.453 9.460 ( 11.559 0.000 1.887) 11.712 9.634 ( 12.140 0.000 -10.991) 16.376 9.896 ( -10.128 0.000 -8.091) 12.963 10.056 ( 1.024 0.000 -9.438) 9.493 10.134 ( 0.074 0.000 0.734) 0.738 10.446 ( -1.146 0.000 -1.998) 2.303 10.548 ( 0.727 0.000 -4.611) 4.668 10.640 ( 2.080 0.000 -3.988) 4.497 11.017 ( -15.693 0.000 -13.447) 20.666 11.056 ( 6.454 0.000 -7.005) 9.526 11.175 ( -3.726 0.000 -2.244) 4.350 11.511 ( 12.405 0.000 -9.978) 15.920 12.058 ( -2.376 0.000 -6.586) 7.001 12.215 ( 11.064 0.000 4.887) 12.095 12.270 ( -8.428 0.000 -11.369) 14.152 12.638 ( -1.324 0.000 3.829) 4.051 12.678 ( 3.349 0.000 -3.981) 5.202 12.914 ( -1.403 0.000 6.810) 6.953 13.016 ( 2.776 0.000 -4.861) 5.598 13.053 ( -1.455 0.000 3.036) 3.366 13.132 ( 2.203 0.000 -5.071) 5.529 13.314 ( -2.052 0.000 -4.602) 5.039 13.625 ( 18.423 0.000 7.855) 20.028 14.087 ( 2.740 0.000 5.104) 5.793 14.203 ( 1.550 0.000 -10.506) 10.619 14.825 ( -13.569 0.000 4.273) 14.225 15.141 ( 4.077 0.000 6.499) 7.672 15.749 ( -16.762 0.000 3.334) 17.090 17.068 ( 2.028 0.000 1.353) 2.438 17.358 ( -8.026 0.000 0.973) 8.085 18.767 ( -0.006 0.000 -0.078) 0.078 18.777 ( -0.063 0.000 -0.238) 0.246 18.796 ( 0.259 0.000 0.483) 0.548 18.816 ( -0.163 0.000 0.332) 0.370 20.559 ( 0.966 0.000 2.887) 3.045 20.740 ( -0.508 0.000 3.742) 3.776 21.629 ( 7.683 0.000 -8.924) 11.775 21.908 ( 7.128 0.000 -4.514) 8.437 22.323 ( -5.930 0.000 -2.192) 6.322 22.539 ( 2.798 0.000 -2.843) 3.989 22.586 ( -4.895 0.000 0.560) 4.927 22.761 ( -1.989 0.000 1.763) 2.658 23.341 ( 5.931 0.000 11.663) 13.084 23.706 ( -8.191 0.000 1.889) 8.406 24.226 ( 15.733 0.000 -6.282) 16.941 24.824 ( -4.605 0.000 -8.868) 9.992 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 8.737 0.000 7.749) 11.678 1.773 ( -5.181 0.000 6.128) 8.025 2.136 ( 18.967 0.000 4.940) 19.600 2.341 ( 27.312 0.000 24.382) 36.612 2.532 ( -21.228 0.000 4.522) 21.704 2.784 ( -18.827 0.000 24.996) 31.293 3.293 ( 4.202 0.000 -6.031) 7.350 3.386 ( -5.443 0.000 -6.799) 8.709 3.393 ( 25.926 0.000 33.001) 41.967 3.898 ( -23.902 0.000 12.192) 26.831 4.353 ( 11.914 0.000 3.186) 12.333 4.472 ( 16.637 0.000 -5.825) 17.627 4.550 ( 7.435 0.000 5.782) 9.419 4.557 ( -9.402 0.000 1.027) 9.458 4.632 ( -3.784 0.000 9.468) 10.196 4.872 ( -17.014 0.000 -7.012) 18.402 5.463 ( 9.667 0.000 -5.257) 11.004 5.617 ( -5.449 0.000 -4.649) 7.162 5.708 ( 1.186 0.000 -1.376) 1.817 5.726 ( -0.460 0.000 -1.276) 1.357 6.519 ( 9.807 0.000 -1.297) 9.893 6.519 ( -2.571 0.000 -6.087) 6.607 6.571 ( -7.196 0.000 -5.606) 9.122 6.646 ( 2.914 0.000 -1.150) 3.132 6.714 ( -1.464 0.000 -3.747) 4.023 6.868 ( -14.273 0.000 -2.547) 14.498 7.182 ( 6.733 0.000 -11.157) 13.031 7.267 ( -2.819 0.000 -2.504) 3.770 7.702 ( 4.732 0.000 7.045) 8.487 7.722 ( 2.487 0.000 -1.990) 3.185 7.786 ( -4.354 0.000 7.547) 8.712 7.840 ( -9.896 0.000 -7.099) 12.179 8.124 ( 4.229 0.000 6.544) 7.792 8.202 ( -3.910 0.000 2.534) 4.659 8.550 ( 8.483 0.000 -2.261) 8.779 8.700 ( -7.693 0.000 2.068) 7.966 9.262 ( 3.864 0.000 -0.819) 3.950 9.336 ( -2.717 0.000 3.353) 4.316 9.641 ( 8.319 0.000 2.441) 8.669 9.768 ( -5.160 0.000 -4.785) 7.037 9.885 ( 11.855 0.000 -5.632) 13.125 10.030 ( -4.223 0.000 -4.035) 5.840 10.208 ( 8.670 0.000 -8.656) 12.251 10.387 ( -6.633 0.000 -6.651) 9.393 10.576 ( 2.870 0.000 -3.972) 4.900 10.714 ( -13.400 0.000 -8.567) 15.905 10.801 ( 11.705 0.000 -7.679) 13.999 11.002 ( -9.270 0.000 -6.708) 11.442 11.261 ( 13.124 0.000 0.675) 13.141 11.539 ( -11.112 0.000 -5.647) 12.465 12.060 ( 1.325 0.000 -9.820) 9.909 12.100 ( -4.631 0.000 -10.167) 11.172 12.426 ( 10.229 0.000 3.327) 10.757 12.577 ( -5.629 0.000 3.078) 6.416 12.828 ( 8.807 0.000 -9.225) 12.754 12.921 ( 2.422 0.000 6.006) 6.476 12.968 ( -5.886 0.000 -7.616) 9.626 12.991 ( -4.304 0.000 3.946) 5.839 13.194 ( 3.784 0.000 -4.508) 5.886 13.262 ( -3.327 0.000 -4.639) 5.709 14.058 ( 22.350 0.000 0.687) 22.360 14.159 ( 4.972 0.000 5.078) 7.107 14.216 ( 0.358 0.000 -4.825) 4.839 14.515 ( -19.546 0.000 0.931) 19.568 15.228 ( 6.485 0.000 9.407) 11.425 15.426 ( -14.940 0.000 10.058) 18.010 17.127 ( 4.112 0.000 1.378) 4.336 17.222 ( -6.127 0.000 1.715) 6.363 18.769 ( 0.176 0.000 -0.151) 0.232 18.773 ( -0.252 0.000 -0.204) 0.324 18.803 ( 0.449 0.000 0.453) 0.637 18.811 ( -0.355 0.000 0.396) 0.532 20.609 ( 3.962 0.000 3.322) 5.170 20.690 ( -4.150 0.000 4.212) 5.913 21.791 ( 9.089 0.000 -8.901) 12.721 21.942 ( -5.252 0.000 -7.924) 9.507 22.310 ( 5.510 0.000 -0.870) 5.578 22.448 ( -7.638 0.000 0.247) 7.642 22.620 ( 4.072 0.000 -2.422) 4.738 22.699 ( -4.148 0.000 -0.248) 4.156 23.466 ( 6.658 0.000 7.576) 10.086 23.581 ( -5.841 0.000 3.811) 6.975 24.495 ( 12.620 0.000 -8.070) 14.980 24.697 ( -8.828 0.000 -8.292) 12.112 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.000 12.499 29.511) 32.049 1.738 ( 0.000 32.584 19.846) 38.152 1.952 ( 0.000 16.931 -4.975) 17.647 2.177 ( 0.000 21.588 7.080) 22.719 2.833 ( 0.000 13.295 47.365) 49.195 3.220 ( 0.000 7.641 10.320) 12.841 3.292 ( 0.000 7.962 -6.320) 10.165 3.436 ( 0.000 15.291 16.252) 22.314 3.590 ( 0.000 5.687 -3.807) 6.844 3.889 ( 0.000 -9.274 5.623) 10.846 4.169 ( 0.000 -0.398 -1.337) 1.395 4.189 ( 0.000 3.196 10.625) 11.096 4.449 ( 0.000 -7.925 -5.040) 9.392 4.606 ( 0.000 -7.559 10.645) 13.056 4.916 ( 0.000 6.319 -0.148) 6.321 5.160 ( 0.000 3.875 -1.809) 4.277 5.216 ( 0.000 4.778 4.405) 6.499 5.433 ( 0.000 2.166 -9.097) 9.351 5.742 ( 0.000 2.621 -4.038) 4.814 5.864 ( 0.000 11.613 -4.813) 12.571 6.317 ( 0.000 -10.020 -2.469) 10.320 6.470 ( 0.000 -1.329 -6.150) 6.292 6.710 ( 0.000 -4.043 -13.905) 14.481 6.792 ( 0.000 6.368 -4.862) 8.012 7.121 ( 0.000 -6.109 -10.988) 12.572 7.152 ( 0.000 17.566 -9.021) 19.747 7.314 ( 0.000 0.253 10.857) 10.860 7.407 ( 0.000 2.215 -7.615) 7.931 7.443 ( 0.000 -1.424 6.888) 7.034 7.607 ( 0.000 -0.286 7.350) 7.355 7.959 ( 0.000 4.964 3.024) 5.812 7.966 ( 0.000 -2.807 -1.132) 3.027 8.220 ( 0.000 -2.577 -1.569) 3.017 8.290 ( 0.000 8.860 4.097) 9.761 8.340 ( 0.000 2.194 -6.908) 7.248 9.040 ( 0.000 1.725 -1.307) 2.164 9.134 ( 0.000 0.254 10.637) 10.640 9.173 ( 0.000 -6.704 -6.381) 9.256 9.223 ( 0.000 -1.240 -4.020) 4.207 9.644 ( 0.000 8.412 -6.510) 10.636 9.862 ( 0.000 -12.864 -9.112) 15.764 9.996 ( 0.000 -3.696 -11.957) 12.515 10.115 ( 0.000 -4.799 -2.276) 5.312 10.494 ( 0.000 -1.228 -2.381) 2.680 10.511 ( 0.000 5.107 -0.632) 5.146 10.763 ( 0.000 -2.554 3.699) 4.495 10.844 ( 0.000 -1.672 -13.045) 13.151 10.951 ( 0.000 -14.843 -11.619) 18.850 11.161 ( 0.000 -2.196 -3.846) 4.428 11.517 ( 0.000 7.245 -6.128) 9.489 12.035 ( 0.000 -6.982 -2.172) 7.312 12.040 ( 0.000 -5.856 3.249) 6.697 12.197 ( 0.000 -5.707 3.003) 6.449 12.454 ( 0.000 -3.898 -4.137) 5.684 12.703 ( 0.000 -8.533 -0.333) 8.539 12.956 ( 0.000 2.018 2.726) 3.391 13.072 ( 0.000 1.954 2.683) 3.319 13.184 ( 0.000 15.467 -4.033) 15.984 13.227 ( 0.000 6.180 -3.437) 7.071 13.303 ( 0.000 -2.050 -3.517) 4.071 13.662 ( 0.000 18.397 7.750) 19.963 14.057 ( 0.000 -0.126 5.415) 5.416 14.136 ( 0.000 -4.469 -13.562) 14.279 15.015 ( 0.000 -3.816 -0.887) 3.917 15.069 ( 0.000 5.623 10.243) 11.685 15.888 ( 0.000 -3.962 -3.483) 5.276 16.731 ( 0.000 -40.737 16.959) 44.126 16.872 ( 0.000 -14.632 2.465) 14.838 18.902 ( 0.000 10.968 0.292) 10.972 18.907 ( 0.000 8.610 0.323) 8.616 19.004 ( 0.000 18.852 -1.897) 18.947 19.684 ( 0.000 54.108 -27.286) 60.599 20.522 ( 0.000 -3.925 2.665) 4.744 20.707 ( 0.000 -1.620 2.085) 2.640 21.555 ( 0.000 1.163 -4.959) 5.094 21.783 ( 0.000 -3.501 -2.177) 4.122 22.406 ( 0.000 -1.447 -2.588) 2.965 22.473 ( 0.000 -0.508 -4.410) 4.439 22.652 ( 0.000 0.305 1.087) 1.129 22.765 ( 0.000 -0.798 2.742) 2.856 23.278 ( 0.000 0.020 13.586) 13.586 23.870 ( 0.000 -0.398 2.672) 2.702 23.886 ( 0.000 -7.862 -1.529) 8.010 24.700 ( 0.000 -13.479 -4.991) 14.374 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 15.050 15.384 24.452) 32.574 1.843 ( 6.469 22.063 5.528) 23.647 2.087 ( 14.089 18.290 11.437) 25.765 2.156 ( 0.297 19.990 5.086) 20.629 2.933 ( 3.302 9.632 32.068) 33.646 3.059 ( -8.982 13.814 9.840) 19.192 3.254 ( -6.655 2.688 20.332) 21.562 3.408 ( 1.870 15.174 1.219) 15.338 3.567 ( -3.405 7.869 -1.640) 8.729 3.993 ( 10.965 -6.661 0.117) 12.830 4.167 ( 3.178 0.717 5.295) 6.217 4.316 ( 4.232 0.966 2.823) 5.178 4.403 ( -5.950 -7.038 0.056) 9.217 4.594 ( -0.126 -5.245 9.600) 10.940 4.805 ( -4.571 2.244 2.762) 5.793 5.057 ( -5.653 4.184 -4.803) 8.517 5.369 ( 0.850 6.958 -6.047) 9.257 5.479 ( 8.130 -5.543 -1.377) 9.935 5.751 ( 1.101 3.474 -3.977) 5.394 5.882 ( 1.579 11.336 -3.595) 11.996 6.325 ( 0.880 -10.884 -2.818) 11.277 6.448 ( -1.491 -4.152 -6.783) 8.092 6.613 ( -9.887 -0.406 -6.320) 11.741 6.852 ( 1.190 4.085 -10.111) 10.970 6.896 ( -10.134 0.801 -3.381) 10.713 7.178 ( -7.527 9.313 -1.500) 12.068 7.246 ( 0.998 16.578 -13.864) 21.634 7.344 ( -1.641 -0.761 7.693) 7.903 7.508 ( 4.470 -4.925 3.448) 7.492 7.663 ( 1.828 -3.121 2.875) 4.620 7.888 ( -3.768 4.401 3.666) 6.857 8.020 ( 0.027 0.953 -4.412) 4.514 8.179 ( -2.658 4.301 0.700) 5.104 8.235 ( -3.063 -0.334 1.020) 3.246 8.450 ( 8.242 5.150 -2.208) 9.966 8.899 ( -8.021 3.663 2.761) 9.240 9.157 ( 1.038 -4.503 -4.795) 6.659 9.262 ( 5.189 -2.315 6.412) 8.567 9.381 ( 12.204 -4.974 -3.260) 13.576 9.681 ( 0.382 -0.402 -7.509) 7.530 9.813 ( 1.960 -4.257 -6.139) 7.723 10.033 ( -0.315 -3.288 -8.801) 9.400 10.126 ( 2.412 -2.904 -4.537) 5.902 10.451 ( -2.812 -3.512 -0.769) 4.564 10.499 ( -1.523 3.915 -1.267) 4.387 10.654 ( 1.719 0.239 -2.424) 2.981 10.835 ( -11.401 -12.366 -9.526) 19.330 11.044 ( 3.804 -7.815 -10.966) 13.993 11.169 ( 3.243 1.861 -4.330) 5.721 11.570 ( 4.970 4.410 -6.711) 9.444 11.980 ( -2.240 -6.298 -4.239) 7.915 12.106 ( 1.279 -6.959 -0.923) 7.136 12.262 ( 5.206 -8.394 5.191) 11.158 12.417 ( -4.684 -1.317 -0.871) 4.943 12.630 ( 0.951 -9.730 -1.440) 9.882 12.915 ( -4.444 2.587 0.171) 5.145 13.102 ( 1.560 3.243 0.967) 3.726 13.182 ( 0.236 9.005 -3.040) 9.507 13.262 ( -0.912 -0.613 -4.320) 4.458 13.453 ( 9.528 17.749 -8.534) 21.878 13.681 ( 8.966 6.060 9.165) 14.181 14.079 ( 2.315 -0.444 5.114) 5.631 14.171 ( 2.658 -2.814 -8.775) 9.591 14.832 ( -13.823 -0.308 1.520) 13.910 15.158 ( 4.217 2.249 7.544) 8.930 15.698 ( -16.449 -4.489 4.142) 17.547 16.792 ( 4.583 -33.555 10.674) 35.509 16.877 ( 0.379 -16.086 2.712) 16.318 18.898 ( -0.330 10.473 0.279) 10.482 18.904 ( -0.269 8.732 0.351) 8.743 19.034 ( 3.018 20.823 -2.159) 21.151 19.513 ( -14.126 47.109 -16.956) 52.022 20.526 ( 1.611 -3.051 2.611) 4.326 20.726 ( -0.432 -1.168 3.222) 3.455 21.611 ( 5.753 -1.967 -8.537) 10.481 21.885 ( 7.218 -2.234 -5.707) 9.469 22.317 ( -5.120 -0.485 -1.834) 5.460 22.531 ( 3.203 -0.869 -3.088) 4.534 22.588 ( -5.372 0.235 1.035) 5.476 22.750 ( -2.188 -1.036 1.659) 2.935 23.345 ( 6.268 0.424 11.464) 13.072 23.694 ( -7.062 -1.054 1.725) 7.346 24.145 ( 14.673 -7.097 -3.242) 16.618 24.669 ( -3.366 -12.758 -5.187) 14.178 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 5.017 23.003 1.820) 23.615 2.014 ( -0.836 19.868 5.613) 20.663 2.212 ( 19.187 10.334 14.503) 26.178 2.495 ( 21.234 11.872 17.700) 30.085 2.640 ( -21.511 9.493 11.197) 26.042 2.885 ( -17.786 8.637 21.258) 29.032 3.382 ( 10.549 7.837 7.802) 15.283 3.457 ( 0.501 9.383 -0.977) 9.447 3.568 ( 11.953 12.709 11.580) 20.940 3.967 ( -21.875 6.281 6.944) 23.795 4.241 ( 10.372 -7.869 6.407) 14.510 4.365 ( -0.151 -9.063 1.634) 9.210 4.432 ( 12.378 -4.127 2.777) 13.340 4.638 ( 3.301 -0.243 6.025) 6.874 4.745 ( -4.291 6.881 1.500) 8.247 4.862 ( -14.528 -0.466 -5.108) 15.407 5.407 ( 5.332 -0.690 -6.100) 8.132 5.518 ( -4.292 -4.125 -5.615) 8.183 5.820 ( 5.438 6.407 0.006) 8.404 5.892 ( -1.452 10.470 -1.019) 10.619 6.333 ( 0.431 -11.330 -4.236) 12.104 6.404 ( -7.982 -4.000 -4.554) 10.022 6.485 ( 5.621 -4.585 -4.241) 8.402 6.653 ( -11.163 -5.695 -3.772) 13.087 6.967 ( 5.413 13.283 -6.133) 15.600 7.056 ( -4.548 15.227 -7.595) 17.613 7.305 ( 3.262 13.285 -9.681) 16.759 7.334 ( -0.042 5.979 1.705) 6.218 7.578 ( 3.524 -6.025 1.423) 7.124 7.654 ( -3.173 -5.650 1.311) 6.611 7.844 ( 0.950 5.733 2.733) 6.422 7.933 ( -7.039 4.955 -4.493) 9.710 8.166 ( 0.969 3.263 3.335) 4.765 8.194 ( -1.758 -0.847 1.262) 2.323 8.610 ( 8.353 5.165 -0.107) 9.822 8.758 ( -7.456 4.945 2.426) 9.270 9.208 ( 3.957 -5.005 -2.222) 6.756 9.281 ( -2.754 -4.624 2.641) 5.996 9.584 ( 8.174 -5.090 -1.043) 9.685 9.665 ( -1.035 -5.858 -5.882) 8.365 9.910 ( 4.636 -2.144 -3.490) 6.186 9.984 ( -3.674 -5.149 -5.170) 8.169 10.227 ( 8.798 0.659 -7.566) 11.623 10.403 ( -6.688 1.507 -3.658) 7.770 10.478 ( 2.410 -6.412 -1.914) 7.113 10.597 ( -10.777 -7.982 -6.014) 14.697 10.791 ( 10.420 -1.342 -6.956) 12.600 10.975 ( -8.092 -4.359 -9.859) 13.479 11.316 ( 12.028 4.000 -1.942) 12.823 11.559 ( -9.434 2.184 -4.055) 10.498 11.971 ( 0.990 -6.953 -7.328) 10.150 12.018 ( -4.790 -5.232 -4.579) 8.443 12.375 ( 5.161 -12.190 4.718) 14.053 12.413 ( 1.400 -8.040 2.055) 8.416 12.702 ( 5.180 -4.530 -3.905) 7.912 12.815 ( -6.124 1.366 -1.956) 6.572 13.105 ( 0.908 5.074 -1.739) 5.440 13.155 ( -3.496 2.529 -2.611) 5.043 13.316 ( 6.077 9.049 -3.764) 11.532 13.432 ( -5.607 15.963 -5.393) 17.757 14.060 ( 21.243 -0.109 1.651) 21.307 14.140 ( 4.135 -1.579 5.317) 6.918 14.202 ( 1.871 -1.094 -3.181) 3.849 14.516 ( -19.762 -0.166 -0.407) 19.767 15.238 ( 5.389 1.372 9.034) 10.609 15.403 ( -12.846 -1.620 9.643) 16.144 16.858 ( 2.219 -24.650 5.227) 25.296 16.880 ( -0.265 -19.595 3.408) 19.891 18.895 ( 0.018 9.681 0.333) 9.687 18.898 ( -0.307 9.078 0.370) 9.090 19.118 ( 6.037 26.340 -3.376) 27.233 19.271 ( -10.592 35.433 -7.088) 37.655 20.586 ( 4.394 -1.988 2.916) 5.636 20.674 ( -4.402 -1.389 3.821) 5.992 21.753 ( 8.727 -3.741 -8.690) 12.871 21.905 ( -5.753 -3.643 -8.244) 10.693 22.321 ( 5.713 0.986 -0.937) 5.873 22.455 ( -7.401 0.703 0.295) 7.440 22.606 ( 3.990 -1.227 -2.314) 4.773 22.686 ( -4.191 -1.265 -0.248) 4.385 23.474 ( 6.707 0.858 7.298) 9.949 23.586 ( -5.329 0.511 3.504) 6.398 24.394 ( 11.414 -9.008 -5.680) 15.611 24.570 ( -7.280 -10.971 -5.680) 14.340 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 18.783 17.714) 25.819 2.319 ( 0.000 19.962 16.980) 26.207 2.456 ( 0.000 29.829 2.498) 29.933 2.717 ( 0.000 26.795 5.783) 27.412 3.195 ( 0.000 12.553 19.611) 23.285 3.341 ( 0.000 10.031 16.746) 19.521 3.438 ( 0.000 7.827 3.361) 8.518 3.707 ( 0.000 -0.773 13.726) 13.748 3.730 ( 0.000 2.311 6.669) 7.058 3.956 ( 0.000 23.557 4.283) 23.943 4.134 ( 0.000 -0.359 5.345) 5.358 4.154 ( 0.000 -4.323 5.158) 6.730 4.402 ( 0.000 -5.665 11.713) 13.011 4.426 ( 0.000 -0.790 0.401) 0.886 4.948 ( 0.000 -1.083 -0.785) 1.337 5.128 ( 0.000 -4.201 -6.573) 7.800 5.478 ( 0.000 17.044 -0.376) 17.048 5.608 ( 0.000 8.281 -5.571) 9.981 5.769 ( 0.000 0.408 -7.594) 7.605 5.995 ( 0.000 -11.376 -2.240) 11.595 6.133 ( 0.000 6.210 -8.219) 10.301 6.346 ( 0.000 -8.039 -13.656) 15.846 6.600 ( 0.000 -5.484 -13.336) 14.420 6.966 ( 0.000 -9.436 -13.691) 16.627 7.071 ( 0.000 17.046 1.780) 17.138 7.262 ( 0.000 0.215 8.939) 8.942 7.345 ( 0.000 -0.564 -2.044) 2.120 7.392 ( 0.000 -3.209 -8.386) 8.979 7.557 ( 0.000 10.308 -4.387) 11.203 7.858 ( 0.000 20.752 -7.135) 21.944 7.905 ( 0.000 -2.038 -5.154) 5.543 8.094 ( 0.000 8.049 2.210) 8.347 8.188 ( 0.000 -0.558 4.233) 4.270 8.385 ( 0.000 2.627 -5.902) 6.460 8.429 ( 0.000 3.634 5.468) 6.565 9.065 ( 0.000 -0.868 -3.477) 3.583 9.066 ( 0.000 -2.324 -9.289) 9.575 9.178 ( 0.000 4.172 10.658) 11.446 9.187 ( 0.000 -1.527 -0.916) 1.780 9.602 ( 0.000 -11.565 -9.538) 14.990 9.787 ( 0.000 5.188 -1.958) 5.546 9.888 ( 0.000 -15.170 -7.120) 16.758 9.896 ( 0.000 -5.750 -13.933) 15.073 10.556 ( 0.000 0.986 0.536) 1.123 10.569 ( 0.000 -3.596 -0.494) 3.630 10.610 ( 0.000 -13.532 -8.091) 15.766 10.703 ( 0.000 -1.835 -0.400) 1.878 10.855 ( 0.000 7.701 -5.326) 9.363 11.089 ( 0.000 -5.895 -4.597) 7.475 11.473 ( 0.000 -11.199 -7.273) 13.353 11.874 ( 0.000 -8.608 -0.943) 8.659 11.963 ( 0.000 0.175 1.959) 1.966 12.141 ( 0.000 2.243 8.847) 9.127 12.488 ( 0.000 4.669 -1.923) 5.050 12.532 ( 0.000 -7.003 1.065) 7.084 13.006 ( 0.000 2.413 -0.426) 2.451 13.099 ( 0.000 -0.709 7.117) 7.152 13.193 ( 0.000 -4.721 -1.346) 4.909 13.372 ( 0.000 4.784 -0.091) 4.785 13.399 ( 0.000 7.304 -3.355) 8.038 13.975 ( 0.000 0.916 5.293) 5.371 14.004 ( 0.000 -7.808 -11.656) 14.029 14.194 ( 0.000 19.880 -1.086) 19.910 14.914 ( 0.000 -5.321 -0.208) 5.325 15.202 ( 0.000 6.153 7.953) 10.055 15.772 ( 0.000 -6.879 -2.955) 7.487 16.077 ( 0.000 -21.328 16.431) 26.924 16.530 ( 0.000 -16.711 3.087) 16.994 19.156 ( 0.000 14.747 0.284) 14.749 19.204 ( 0.000 16.745 0.866) 16.767 19.450 ( 0.000 21.289 -3.451) 21.567 20.388 ( 0.000 -7.553 0.238) 7.556 20.602 ( 0.000 30.536 -32.058) 44.273 20.668 ( 0.000 -1.586 0.771) 1.763 21.585 ( 0.000 1.515 -7.150) 7.309 21.678 ( 0.000 -6.079 -3.594) 7.062 22.368 ( 0.000 -1.915 -1.862) 2.671 22.453 ( 0.000 -1.450 -3.812) 4.079 22.662 ( 0.000 0.698 1.172) 1.364 22.743 ( 0.000 -1.131 2.310) 2.572 23.282 ( 0.000 0.536 13.345) 13.356 23.685 ( 0.000 -10.195 6.033) 11.846 23.869 ( 0.000 0.611 1.090) 1.250 24.406 ( 0.000 -13.262 -2.872) 13.569 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 10.010 16.104 16.008) 24.815 2.465 ( 13.584 18.294 18.932) 29.624 2.488 ( 3.556 29.692 1.665) 29.951 2.671 ( -4.070 25.569 5.266) 26.421 3.185 ( -5.162 12.963 14.079) 19.822 3.324 ( -10.001 7.354 11.502) 16.923 3.402 ( 6.299 12.740 16.208) 21.557 3.659 ( -1.217 -0.051 9.662) 9.738 3.705 ( -0.663 7.710 5.473) 9.478 4.063 ( 6.307 11.843 2.366) 13.625 4.129 ( 0.354 -0.546 5.875) 5.911 4.206 ( 5.735 -3.616 5.556) 8.766 4.433 ( 0.710 -5.031 8.457) 9.865 4.459 ( 0.760 3.157 -0.145) 3.251 4.777 ( -7.040 -2.952 1.488) 7.778 5.101 ( -9.564 -3.993 -7.112) 12.570 5.511 ( 4.170 8.758 -0.209) 9.702 5.569 ( -3.769 10.411 -4.580) 11.982 5.783 ( 1.012 -1.487 -7.341) 7.558 5.989 ( -0.826 -10.502 -2.400) 10.805 6.157 ( 2.736 6.180 -6.896) 9.656 6.311 ( -1.109 -7.421 -12.206) 14.328 6.618 ( -2.477 -0.063 -8.585) 8.936 6.810 ( -13.041 -3.696 -11.841) 17.998 7.061 ( 1.163 12.365 -0.960) 12.457 7.278 ( 0.316 -2.559 2.312) 3.463 7.372 ( 2.324 5.337 -5.509) 8.014 7.416 ( 4.102 -3.392 1.630) 5.566 7.617 ( 4.980 11.692 -6.763) 14.396 7.762 ( -5.296 14.025 -4.934) 15.782 7.992 ( 1.781 5.430 0.588) 5.745 8.071 ( 1.530 5.015 -4.380) 6.832 8.200 ( -0.994 3.553 2.274) 4.334 8.307 ( -5.134 3.887 -3.038) 7.120 8.551 ( 9.486 3.020 2.726) 10.322 8.953 ( -3.751 -0.488 -6.499) 7.520 9.103 ( -3.761 1.472 2.095) 4.550 9.198 ( 2.597 -3.995 2.535) 5.398 9.290 ( 7.926 -2.379 -3.186) 8.868 9.584 ( -0.793 -7.854 -10.711) 13.306 9.750 ( -0.039 -2.095 -0.219) 2.107 9.856 ( -3.235 -14.246 -8.670) 16.988 10.020 ( 8.461 -4.836 -9.458) 13.581 10.401 ( -8.465 -6.086 -2.232) 10.661 10.510 ( -5.933 -7.333 -2.064) 9.655 10.647 ( -3.288 -2.405 -0.916) 4.176 10.695 ( 2.574 4.843 -2.032) 5.849 10.913 ( 2.901 1.520 -6.198) 7.010 11.143 ( 6.702 -6.168 -5.198) 10.487 11.525 ( 4.290 -9.895 -7.224) 12.981 11.836 ( -3.640 -7.949 -2.618) 9.127 11.987 ( 0.864 -3.109 0.473) 3.262 12.165 ( 2.355 1.902 8.368) 8.899 12.372 ( -11.520 -3.393 3.500) 12.509 12.544 ( 5.019 0.791 -1.858) 5.410 12.938 ( -6.053 -0.654 -0.641) 6.122 13.156 ( 2.858 1.576 2.284) 3.984 13.215 ( 4.140 -1.764 -1.261) 4.673 13.367 ( -0.474 8.024 -2.666) 8.468 13.628 ( 20.483 1.749 -0.574) 20.565 13.862 ( -7.872 2.427 -4.485) 9.380 14.057 ( 2.397 -4.392 0.836) 5.073 14.204 ( 0.220 11.983 0.089) 11.985 14.785 ( -12.254 -3.925 -0.311) 12.871 15.244 ( 3.225 5.296 7.476) 9.713 15.598 ( -12.463 -3.516 4.289) 13.641 16.218 ( 9.686 -20.982 9.016) 24.806 16.516 ( -1.595 -17.310 3.300) 17.694 19.156 ( -0.014 14.831 0.340) 14.835 19.189 ( -1.263 16.341 0.723) 16.406 19.512 ( 6.315 22.097 -3.861) 23.303 20.259 ( -15.638 11.876 -11.995) 23.010 20.501 ( 0.165 8.527 -6.608) 10.789 20.727 ( -0.573 4.259 -1.789) 4.655 21.531 ( 0.992 -5.896 -6.724) 8.998 21.815 ( 5.313 -4.555 -9.212) 11.569 22.311 ( -2.303 0.182 -1.168) 2.588 22.502 ( 3.290 -1.871 -3.019) 4.842 22.598 ( -5.529 0.794 1.536) 5.793 22.721 ( -2.751 -1.608 1.486) 3.516 23.362 ( 7.287 1.286 10.968) 13.231 23.661 ( -1.921 -2.385 2.342) 3.856 23.978 ( 9.485 -7.303 1.817) 12.108 24.381 ( -2.707 -13.386 -2.757) 13.932 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 13.414 13.661 9.385) 21.322 2.494 ( -6.808 20.432 5.778) 22.298 2.669 ( 9.276 28.952 7.690) 31.359 2.769 ( 14.995 14.312 16.443) 26.459 2.955 ( -14.318 22.031 11.852) 28.824 3.097 ( -14.497 12.135 21.080) 28.315 3.543 ( 6.918 1.976 8.076) 10.816 3.643 ( -3.294 4.092 3.201) 6.152 3.811 ( 13.284 7.036 6.583) 16.410 4.074 ( -9.271 0.043 3.335) 9.853 4.143 ( 3.379 0.055 4.458) 5.595 4.246 ( -10.468 2.276 5.121) 11.874 4.399 ( 13.344 3.842 0.321) 13.890 4.552 ( 3.012 -5.859 3.984) 7.699 4.777 ( 1.059 -3.902 1.074) 4.184 4.846 ( -12.349 -1.957 -3.959) 13.115 5.502 ( -1.271 6.460 -3.891) 7.648 5.534 ( -2.661 5.499 -2.630) 6.652 5.849 ( 6.171 -4.674 -2.662) 8.186 5.951 ( -3.687 -7.585 -2.180) 8.711 6.246 ( 6.988 6.224 -3.976) 10.167 6.346 ( 3.051 -2.717 -10.442) 11.213 6.469 ( -8.475 5.282 -2.044) 10.193 6.562 ( -12.023 -0.701 -9.986) 15.645 7.151 ( 6.413 5.333 -6.763) 10.738 7.249 ( -3.496 2.343 -6.213) 7.504 7.467 ( 5.392 -0.067 -0.926) 5.471 7.488 ( 2.958 -0.554 1.436) 3.334 7.678 ( -0.143 12.435 -0.475) 12.445 7.693 ( -1.026 18.759 -8.649) 20.682 7.992 ( 1.634 8.434 3.066) 9.122 8.080 ( -6.091 10.023 -6.095) 13.218 8.174 ( 3.538 0.288 -2.150) 4.150 8.243 ( -2.961 4.394 -1.490) 5.504 8.728 ( 8.768 4.993 2.260) 10.340 8.874 ( -6.290 5.163 1.061) 8.206 9.078 ( 2.584 -6.337 -3.396) 7.639 9.162 ( -4.793 -6.283 -0.995) 7.965 9.463 ( 9.076 -5.612 -5.630) 12.065 9.574 ( -1.995 -2.836 -5.693) 6.666 9.759 ( 0.094 -10.964 -2.972) 11.360 9.786 ( -3.400 -13.600 -6.209) 15.332 10.169 ( 7.448 -6.317 -8.224) 12.768 10.292 ( -5.022 -11.663 -9.503) 15.860 10.423 ( -0.471 0.525 5.371) 5.417 10.511 ( -7.925 -1.864 1.874) 8.354 10.805 ( 7.022 3.601 -4.146) 8.915 10.912 ( -3.362 1.616 -6.974) 7.909 11.328 ( 12.403 -4.936 -4.668) 14.142 11.538 ( -6.385 -6.826 -4.667) 10.447 11.796 ( 2.084 -9.058 -5.897) 11.007 11.908 ( -7.961 -5.973 -2.977) 10.388 12.215 ( 2.485 -0.178 7.395) 7.804 12.249 ( -1.879 -2.814 6.822) 7.615 12.669 ( 7.707 -1.954 -2.806) 8.431 12.813 ( -7.239 -2.429 -2.500) 8.035 13.180 ( 1.436 2.787 -1.165) 3.345 13.228 ( -3.078 6.088 -1.467) 6.978 13.479 ( 11.095 4.977 -2.967) 12.517 13.687 ( -10.223 5.971 -6.472) 13.492 14.040 ( 18.301 -1.866 3.850) 18.794 14.101 ( 2.503 -2.158 4.232) 5.369 14.197 ( 1.980 1.407 0.736) 2.538 14.488 ( -18.780 -2.775 -1.269) 19.027 15.306 ( 3.628 5.234 7.267) 9.662 15.404 ( -7.546 3.020 6.886) 10.653 16.373 ( 6.588 -20.442 5.385) 22.142 16.467 ( -3.677 -18.842 3.952) 19.600 19.158 ( 0.261 15.121 0.462) 15.130 19.168 ( -0.859 15.654 0.581) 15.688 19.679 ( 11.342 23.491 -5.699) 26.701 19.939 ( -16.221 22.852 -9.696) 29.653 20.560 ( 4.869 1.782 -0.166) 5.187 20.661 ( -5.267 1.944 1.497) 5.811 21.628 ( 8.022 -8.340 -8.206) 14.186 21.784 ( -7.125 -7.947 -8.993) 13.957 22.352 ( 5.836 2.029 -1.091) 6.274 22.477 ( -6.743 1.382 0.429) 6.896 22.571 ( 3.852 -2.077 -1.988) 4.806 22.650 ( -4.335 -2.026 -0.139) 4.787 23.506 ( 7.111 2.356 6.576) 9.968 23.610 ( -3.878 2.023 2.685) 5.132 24.161 ( 9.059 -12.147 -0.710) 15.169 24.302 ( -5.834 -13.365 -2.298) 14.763 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.000 17.748 8.034) 19.482 2.717 ( 0.000 15.418 10.612) 18.717 2.884 ( 0.000 8.047 12.521) 14.884 3.158 ( 0.000 14.261 9.993) 17.414 3.325 ( 0.000 11.609 6.652) 13.380 3.547 ( 0.000 4.605 14.102) 14.835 3.560 ( 0.000 -12.608 13.114) 18.191 3.750 ( 0.000 17.449 8.047) 19.215 3.801 ( 0.000 3.507 12.615) 13.093 4.077 ( 0.000 -6.998 0.646) 7.028 4.183 ( 0.000 -7.847 21.323) 22.721 4.203 ( 0.000 14.192 8.609) 16.600 4.432 ( 0.000 12.980 6.133) 14.356 4.515 ( 0.000 3.630 1.765) 4.036 4.945 ( 0.000 0.568 -5.236) 5.267 5.037 ( 0.000 -5.103 -9.255) 10.569 5.555 ( 0.000 -9.602 -4.401) 10.562 5.599 ( 0.000 -4.849 -11.806) 12.763 5.863 ( 0.000 2.153 -5.235) 5.660 5.946 ( 0.000 11.601 -3.253) 12.049 6.232 ( 0.000 0.451 -13.028) 13.036 6.269 ( 0.000 4.147 -8.360) 9.332 6.516 ( 0.000 -2.743 -13.276) 13.556 6.695 ( 0.000 -15.550 -13.913) 20.865 7.264 ( 0.000 -0.168 -4.825) 4.828 7.304 ( 0.000 -1.959 -6.758) 7.036 7.408 ( 0.000 10.472 -2.686) 10.811 7.433 ( 0.000 7.117 -1.426) 7.258 7.799 ( 0.000 13.067 -2.629) 13.329 7.898 ( 0.000 1.576 -4.209) 4.494 8.103 ( 0.000 3.861 6.706) 7.738 8.180 ( 0.000 -0.720 4.940) 4.992 8.297 ( 0.000 3.468 -8.509) 9.189 8.478 ( 0.000 5.899 -0.799) 5.952 8.586 ( 0.000 17.497 -0.291) 17.500 8.949 ( 0.000 -9.152 -9.907) 13.487 9.064 ( 0.000 0.567 -10.782) 10.797 9.167 ( 0.000 -2.182 0.614) 2.267 9.275 ( 0.000 -0.511 -3.984) 4.016 9.431 ( 0.000 1.887 0.249) 1.904 9.550 ( 0.000 -15.395 -12.555) 19.865 9.774 ( 0.000 -5.788 -11.538) 12.908 9.888 ( 0.000 5.153 -2.077) 5.555 10.278 ( 0.000 -14.029 -4.366) 14.692 10.413 ( 0.000 -9.094 0.602) 9.114 10.427 ( 0.000 -10.801 1.121) 10.859 10.877 ( 0.000 11.809 -5.173) 12.892 10.936 ( 0.000 -2.405 5.517) 6.018 11.119 ( 0.000 9.480 -9.272) 13.260 11.204 ( 0.000 -11.349 2.368) 11.593 11.714 ( 0.000 -5.575 -1.065) 5.675 11.911 ( 0.000 -6.551 -0.451) 6.567 12.256 ( 0.000 6.943 5.883) 9.100 12.436 ( 0.000 -2.459 4.088) 4.770 12.619 ( 0.000 7.878 3.862) 8.774 12.998 ( 0.000 -7.826 4.833) 9.198 13.042 ( 0.000 0.970 -1.199) 1.542 13.118 ( 0.000 -3.098 3.552) 4.713 13.463 ( 0.000 5.015 -0.469) 5.037 13.556 ( 0.000 7.167 -1.595) 7.343 13.830 ( 0.000 -7.926 -7.906) 11.195 13.912 ( 0.000 -5.077 4.701) 6.919 14.576 ( 0.000 13.476 -1.834) 13.600 14.814 ( 0.000 -3.889 0.739) 3.959 15.309 ( 0.000 4.574 6.270) 7.762 15.611 ( 0.000 -8.270 -1.954) 8.497 15.839 ( 0.000 -1.872 7.614) 7.841 16.200 ( 0.000 -14.533 2.705) 14.782 19.499 ( 0.000 17.337 0.255) 17.339 19.554 ( 0.000 15.531 1.268) 15.583 19.798 ( 0.000 9.577 -1.840) 9.753 20.168 ( 0.000 -12.852 0.925) 12.886 20.685 ( 0.000 4.717 -2.860) 5.516 20.978 ( 0.000 4.489 -21.342) 21.809 21.578 ( 0.000 -1.699 -10.388) 10.527 21.609 ( 0.000 0.548 -10.745) 10.759 22.341 ( 0.000 -0.304 -1.234) 1.271 22.412 ( 0.000 -2.436 -2.948) 3.824 22.680 ( 0.000 0.933 1.278) 1.583 22.720 ( 0.000 -1.044 1.850) 2.124 23.307 ( 0.000 1.926 12.999) 13.141 23.494 ( 0.000 -7.620 10.634) 13.082 23.905 ( 0.000 3.016 -0.980) 3.171 24.165 ( 0.000 -9.701 -3.225) 10.223 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 6.818 17.286 9.918) 21.064 2.832 ( 11.305 13.180 7.447) 18.893 2.937 ( 4.226 11.711 16.106) 20.357 3.066 ( -6.245 11.084 9.011) 15.590 3.414 ( 6.913 12.921 5.043) 15.497 3.520 ( -4.266 2.647 16.798) 17.532 3.560 ( -0.817 -0.159 10.640) 10.673 3.699 ( -6.807 1.007 10.613) 12.648 3.741 ( -1.367 10.553 9.213) 14.075 4.090 ( -3.600 -1.853 13.191) 13.798 4.155 ( 5.842 -3.373 4.119) 7.904 4.265 ( 2.030 5.052 7.429) 9.211 4.481 ( 4.217 8.735 5.353) 11.079 4.558 ( 2.270 2.265 0.519) 3.248 4.757 ( -13.642 1.423 -4.952) 14.583 4.959 ( -9.797 -8.355 -7.422) 14.862 5.536 ( -1.619 -6.417 -5.466) 8.583 5.624 ( 3.111 -5.507 -8.680) 10.740 5.798 ( -8.337 3.591 -4.378) 10.079 5.889 ( -2.262 2.466 -4.498) 5.606 6.254 ( 3.832 3.785 -9.970) 11.332 6.321 ( 4.628 7.544 -8.964) 12.597 6.567 ( 2.024 -5.042 -11.240) 12.484 6.732 ( 0.829 -4.687 -13.922) 14.714 7.254 ( -0.243 0.210 -3.140) 3.157 7.284 ( -2.693 3.411 0.606) 4.388 7.365 ( -0.860 3.136 -5.230) 6.158 7.453 ( 1.802 3.045 -7.563) 8.350 7.891 ( 6.916 13.483 -1.474) 15.225 7.932 ( 3.487 6.055 -0.829) 7.037 8.108 ( 0.717 4.244 6.382) 7.698 8.197 ( 2.066 2.789 -0.905) 3.587 8.362 ( 4.066 4.408 -6.140) 8.583 8.419 ( -3.807 7.610 -2.895) 8.988 8.607 ( 2.407 7.752 -1.490) 8.252 8.922 ( -1.219 -1.876 -8.883) 9.161 9.065 ( -1.861 -5.281 -5.417) 7.791 9.164 ( 0.375 0.034 -2.818) 2.843 9.357 ( -5.670 -1.518 -5.038) 7.735 9.359 ( 6.645 -3.617 -3.110) 8.180 9.532 ( -1.885 -12.908 -11.861) 17.631 9.747 ( -3.994 0.817 -3.700) 5.505 9.917 ( 3.041 -4.658 -8.189) 9.900 10.157 ( -8.039 -12.712 -5.620) 16.056 10.406 ( 1.520 -4.272 3.904) 5.984 10.528 ( 3.084 -6.804 1.645) 7.649 10.817 ( -3.040 2.315 1.348) 4.052 11.006 ( 2.818 -3.380 -0.881) 4.488 11.057 ( 0.466 6.819 -3.322) 7.599 11.316 ( 7.249 -4.875 -3.766) 9.513 11.672 ( -4.302 -6.031 -2.153) 7.715 11.886 ( -3.483 -7.889 -1.429) 8.741 12.269 ( 1.035 5.822 6.126) 8.514 12.373 ( -3.850 2.325 4.658) 6.475 12.581 ( -2.540 3.315 2.508) 4.871 12.874 ( -8.147 -5.673 0.377) 9.935 13.160 ( 4.798 -0.028 0.384) 4.814 13.202 ( 11.165 -0.434 3.776) 11.794 13.536 ( -2.694 8.041 -2.387) 8.810 13.650 ( 16.865 1.572 0.068) 16.938 13.803 ( -3.090 -4.941 -5.605) 8.086 13.930 ( 2.778 -7.205 4.673) 9.027 14.472 ( -10.090 9.812 0.147) 14.074 14.695 ( -11.815 -4.256 0.456) 12.566 15.359 ( 4.648 6.273 5.266) 9.417 15.597 ( -1.621 2.176 0.754) 2.816 15.890 ( 5.001 -9.881 5.345) 12.297 16.176 ( -2.546 -14.922 2.804) 15.395 19.498 ( 0.000 17.225 0.334) 17.228 19.538 ( -1.368 15.953 1.052) 16.046 19.847 ( 4.781 7.463 -1.857) 9.056 20.148 ( -2.305 -11.718 0.326) 11.947 20.681 ( 0.502 8.231 -4.628) 9.456 20.992 ( -0.856 10.570 -17.593) 20.542 21.394 ( -7.477 -4.146 -5.691) 10.270 21.688 ( -1.360 -7.695 -12.228) 14.512 22.334 ( 1.273 2.063 -1.280) 2.741 22.453 ( 3.175 -2.761 -2.563) 4.927 22.620 ( -5.136 1.294 1.680) 5.557 22.686 ( -3.566 -1.707 1.479) 4.221 23.403 ( 8.810 2.720 10.316) 13.836 23.582 ( 7.503 -5.001 6.411) 11.063 23.898 ( -0.431 0.130 0.661) 0.800 24.134 ( -3.300 -10.033 -2.617) 10.881 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 12.193 15.689 11.390) 22.903 2.835 ( -11.647 14.446 11.341) 21.747 3.099 ( 14.257 15.302 12.300) 24.263 3.130 ( 9.577 7.642 12.092) 17.214 3.367 ( -9.026 6.961 16.904) 20.388 3.448 ( -12.760 6.722 7.390) 16.206 3.541 ( 4.491 12.168 6.291) 14.416 3.596 ( -1.355 7.127 7.543) 10.466 3.807 ( 8.323 -2.433 8.746) 12.316 3.996 ( -8.231 -7.995 8.902) 14.523 4.247 ( 2.674 8.450 3.628) 9.577 4.306 ( -0.119 -2.166 2.355) 3.202 4.473 ( -1.913 1.604 -2.708) 3.683 4.531 ( -0.998 -0.035 -0.304) 1.043 4.671 ( 1.882 -4.951 -0.408) 5.312 4.764 ( -8.409 -6.337 -4.702) 11.532 5.525 ( 2.072 -1.225 -4.148) 4.796 5.630 ( -8.275 2.170 -3.371) 9.195 5.723 ( 6.579 -5.028 -4.936) 9.640 5.833 ( -4.438 -3.091 -4.546) 7.065 6.386 ( 9.031 5.669 -6.990) 12.750 6.418 ( 5.065 8.571 -10.572) 14.522 6.552 ( -2.765 2.506 -8.819) 9.576 6.632 ( -9.862 3.656 -5.919) 12.068 7.244 ( 0.077 3.122 -3.967) 5.048 7.266 ( -0.747 2.454 -6.979) 7.435 7.407 ( 4.700 -4.362 -1.933) 6.698 7.473 ( -0.993 -1.923 -6.539) 6.888 7.985 ( 3.273 11.537 0.531) 12.004 8.003 ( 2.080 14.180 3.248) 14.695 8.140 ( 3.222 4.778 1.847) 6.052 8.216 ( -2.441 4.909 0.956) 5.565 8.358 ( 1.312 10.123 -11.439) 15.331 8.404 ( -1.922 12.054 -8.426) 14.832 8.732 ( 10.545 -6.501 0.811) 12.414 8.916 ( -4.392 -2.499 -0.642) 5.093 8.988 ( -0.135 -1.751 -5.870) 6.127 9.105 ( -7.730 3.153 -4.623) 9.543 9.342 ( 5.011 -8.109 -8.701) 12.906 9.437 ( -2.314 -16.980 -9.203) 19.452 9.520 ( 4.001 0.052 -6.764) 7.859 9.634 ( -6.967 2.032 -3.075) 7.882 9.978 ( 3.080 -11.430 -9.524) 15.193 10.041 ( -4.253 -12.378 -8.442) 15.574 10.448 ( 2.794 2.505 7.487) 8.375 10.508 ( -3.396 3.585 6.927) 8.507 10.835 ( 4.371 -5.649 0.805) 7.188 10.937 ( -5.615 -5.982 -0.322) 8.211 11.222 ( 11.238 2.265 -3.613) 12.020 11.386 ( -3.185 -1.177 -2.229) 4.062 11.618 ( 2.470 -8.296 -5.793) 10.416 11.757 ( -9.310 -8.590 -3.400) 13.116 12.294 ( 2.157 5.969 6.275) 8.925 12.336 ( -1.638 8.254 4.291) 9.446 12.589 ( 4.172 -5.173 0.757) 6.689 12.716 ( -8.295 -6.521 -0.796) 10.581 13.265 ( 6.513 5.225 0.154) 8.351 13.371 ( -0.736 6.489 0.747) 6.574 13.512 ( 6.812 -0.946 -1.890) 7.132 13.693 ( -8.466 -3.834 -3.813) 10.046 13.999 ( 15.897 -1.312 3.822) 16.403 14.050 ( 11.658 -2.580 2.897) 12.287 14.252 ( -11.248 3.095 2.237) 11.878 14.408 ( -17.743 -4.404 0.108) 18.281 15.457 ( 5.314 9.369 4.204) 11.563 15.545 ( -3.881 9.731 3.270) 10.975 16.001 ( 6.143 -15.440 3.464) 16.974 16.106 ( -4.828 -15.729 2.998) 16.724 19.501 ( 0.362 16.957 0.526) 16.969 19.514 ( -1.018 16.556 0.764) 16.605 19.958 ( 6.549 1.623 -1.939) 7.020 20.075 ( -5.423 -6.322 -1.211) 8.417 20.735 ( 5.561 13.880 -5.606) 15.969 20.881 ( -9.042 17.746 -8.516) 21.661 21.404 ( 7.012 -12.880 -7.685) 16.557 21.571 ( -9.223 -12.326 -9.735) 18.214 22.403 ( 5.368 2.738 -1.188) 6.142 22.511 ( -4.395 1.347 0.461) 4.619 22.523 ( 2.464 -2.027 -1.502) 3.526 22.604 ( -4.654 -2.274 0.146) 5.181 23.577 ( 8.423 4.442 5.679) 11.088 23.673 ( -0.334 3.775 1.924) 4.250 23.926 ( 4.708 -9.433 2.550) 10.847 24.043 ( -6.205 -10.949 -0.631) 12.600 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 0.000 -12.139 4.164) 12.833 2.671 ( 0.000 12.139 4.164) 12.833 3.199 ( 0.000 -17.950 15.732) 23.869 3.199 ( 0.000 17.950 15.732) 23.869 3.404 ( 0.000 -7.295 12.501) 14.473 3.404 ( 0.000 7.295 12.501) 14.473 3.755 ( 0.000 -15.353 10.099) 18.377 3.755 ( 0.000 15.353 10.099) 18.377 3.899 ( 0.000 -7.238 13.119) 14.983 3.899 ( 0.000 7.238 13.119) 14.983 4.360 ( 0.000 -15.674 9.168) 18.159 4.360 ( 0.000 15.674 9.168) 18.159 4.496 ( 0.000 -6.528 3.948) 7.629 4.496 ( 0.000 6.528 3.948) 7.629 4.949 ( 0.000 -0.970 -5.532) 5.616 4.949 ( 0.000 0.970 -5.532) 5.616 5.497 ( 0.000 -3.045 -14.846) 15.155 5.497 ( 0.000 3.045 -14.846) 15.155 5.961 ( 0.000 -5.434 -4.949) 7.350 5.961 ( 0.000 5.434 -4.949) 7.350 6.358 ( 0.000 -1.449 -8.193) 8.320 6.358 ( 0.000 1.449 -8.193) 8.320 6.443 ( 0.000 -0.155 -14.006) 14.006 6.443 ( 0.000 0.155 -14.006) 14.006 7.269 ( 0.000 -0.820 -9.390) 9.426 7.269 ( 0.000 0.820 -9.390) 9.426 7.518 ( 0.000 -0.062 -1.569) 1.570 7.518 ( 0.000 0.062 -1.569) 1.570 7.954 ( 0.000 -1.103 -0.005) 1.103 7.954 ( 0.000 1.103 -0.005) 1.103 8.152 ( 0.000 -1.738 5.985) 6.232 8.152 ( 0.000 1.738 5.985) 6.232 8.435 ( 0.000 -11.749 -4.539) 12.595 8.435 ( 0.000 11.749 -4.539) 12.595 8.861 ( 0.000 -0.298 -5.572) 5.580 8.861 ( 0.000 0.298 -5.572) 5.580 9.053 ( 0.000 -5.444 -6.819) 8.726 9.053 ( 0.000 5.444 -6.819) 8.726 9.302 ( 0.000 -7.542 -17.479) 19.037 9.302 ( 0.000 7.542 -17.479) 19.037 9.624 ( 0.000 -9.833 0.208) 9.835 9.624 ( 0.000 9.833 0.208) 9.835 10.028 ( 0.000 -9.126 -4.643) 10.239 10.028 ( 0.000 9.126 -4.643) 10.239 10.288 ( 0.000 -0.144 3.015) 3.019 10.288 ( 0.000 0.144 3.015) 3.019 10.959 ( 0.000 -3.945 5.444) 6.723 10.959 ( 0.000 3.945 5.444) 6.723 11.164 ( 0.000 -5.539 -7.047) 8.963 11.164 ( 0.000 5.539 -7.047) 8.963 11.734 ( 0.000 -7.692 0.265) 7.696 11.734 ( 0.000 7.692 0.265) 7.696 12.378 ( 0.000 -4.132 5.304) 6.724 12.378 ( 0.000 4.132 5.304) 6.724 12.809 ( 0.000 -9.721 5.606) 11.222 12.809 ( 0.000 9.721 5.606) 11.222 13.063 ( 0.000 -1.648 0.723) 1.799 13.063 ( 0.000 1.648 0.723) 1.799 13.587 ( 0.000 -5.641 -3.308) 6.540 13.587 ( 0.000 5.641 -3.308) 6.540 13.789 ( 0.000 -5.404 1.477) 5.602 13.789 ( 0.000 5.404 1.477) 5.602 14.743 ( 0.000 -3.951 0.981) 4.071 14.743 ( 0.000 3.951 0.981) 4.071 15.437 ( 0.000 -7.831 0.818) 7.874 15.437 ( 0.000 7.831 0.818) 7.874 15.939 ( 0.000 -9.772 3.225) 10.291 15.939 ( 0.000 9.772 3.225) 10.291 19.804 ( 0.000 -5.747 0.700) 5.790 19.804 ( 0.000 5.747 0.700) 5.790 19.862 ( 0.000 -14.745 0.579) 14.757 19.862 ( 0.000 14.745 0.579) 14.757 20.869 ( 0.000 -10.637 -8.723) 13.757 20.869 ( 0.000 10.637 -8.723) 13.757 21.598 ( 0.000 -1.638 -14.543) 14.635 21.598 ( 0.000 1.638 -14.543) 14.635 22.361 ( 0.000 -2.041 -1.839) 2.748 22.361 ( 0.000 2.041 -1.839) 2.748 22.700 ( 0.000 -0.955 1.499) 1.778 22.700 ( 0.000 0.955 1.499) 1.778 23.370 ( 0.000 -4.340 12.350) 13.090 23.370 ( 0.000 4.340 12.350) 13.090 24.000 ( 0.000 -6.151 -2.650) 6.697 24.000 ( 0.000 6.151 -2.650) 6.697 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 7.387 -13.174 6.261) 16.350 2.742 ( 7.387 13.174 6.261) 16.350 3.252 ( 4.245 -10.072 13.221) 17.154 3.252 ( 4.244 10.072 13.221) 17.154 3.358 ( -3.986 -6.392 13.691) 15.626 3.358 ( -3.986 6.392 13.691) 15.626 3.759 ( -1.238 -10.884 14.443) 18.127 3.759 ( -1.238 10.884 14.443) 18.127 3.913 ( 3.324 -15.020 6.666) 16.766 3.913 ( 3.324 15.020 6.666) 16.766 4.319 ( -4.038 -16.435 7.372) 18.460 4.319 ( -4.038 16.435 7.372) 18.460 4.521 ( 1.420 -5.699 2.598) 6.423 4.521 ( 1.420 5.699 2.598) 6.423 4.807 ( -12.710 -4.354 -5.557) 14.538 4.807 ( -12.710 4.354 -5.557) 14.538 5.514 ( 2.195 -4.181 -12.378) 13.248 5.514 ( 2.195 4.181 -12.378) 13.248 5.876 ( -7.166 -3.867 -5.401) 9.771 5.876 ( -7.166 3.867 -5.401) 9.771 6.362 ( 4.043 -5.610 -8.231) 10.750 6.362 ( 4.043 5.610 -8.231) 10.750 6.589 ( 8.000 -8.626 -11.805) 16.666 6.589 ( 8.000 8.626 -11.805) 16.666 7.266 ( -0.322 -1.194 -5.423) 5.562 7.266 ( -0.322 1.194 -5.423) 5.562 7.468 ( -3.791 -2.403 -4.504) 6.358 7.468 ( -3.791 2.403 -4.504) 6.358 8.046 ( 7.729 -3.168 -0.294) 8.358 8.046 ( 7.729 3.168 -0.294) 8.358 8.186 ( 3.593 -3.308 6.149) 7.852 8.186 ( 3.593 3.308 6.149) 7.852 8.437 ( 0.520 -7.545 -4.736) 8.923 8.437 ( 0.520 7.545 -4.736) 8.923 8.822 ( -4.117 -10.821 -6.457) 13.257 8.822 ( -4.117 10.821 -6.457) 13.257 9.069 ( 1.677 -8.972 -7.311) 11.695 9.069 ( 1.677 8.972 -7.311) 11.695 9.268 ( -3.135 -6.192 -14.021) 15.645 9.268 ( -3.135 6.192 -14.021) 15.645 9.644 ( 1.824 -11.541 -2.352) 11.919 9.644 ( 1.824 11.541 -2.352) 11.919 9.933 ( -7.564 -7.220 -6.314) 12.215 9.933 ( -7.564 7.220 -6.314) 12.215 10.393 ( 8.479 -4.199 4.603) 10.522 10.393 ( 8.479 4.199 4.603) 10.522 10.879 ( -6.994 -6.267 6.417) 11.374 10.879 ( -6.994 6.267 6.417) 11.374 11.235 ( 6.409 -8.012 -7.308) 12.596 11.235 ( 6.409 8.012 -7.308) 12.596 11.694 ( -4.612 -8.231 -0.560) 9.451 11.694 ( -4.612 8.231 -0.560) 9.451 12.368 ( 0.287 -3.121 5.504) 6.333 12.368 ( 0.287 3.121 5.504) 6.333 12.716 ( -7.769 -8.477 2.155) 11.699 12.716 ( -7.769 8.477 2.155) 11.699 13.178 ( 9.818 -1.487 2.453) 10.229 13.178 ( 9.818 1.487 2.453) 10.229 13.669 ( 3.274 -3.816 -6.723) 8.395 13.669 ( 3.274 3.816 -6.723) 8.395 13.774 ( 2.991 -6.229 5.771) 9.002 13.774 ( 2.991 6.229 5.771) 9.002 14.608 ( -12.713 -4.416 1.179) 13.510 14.608 ( -12.713 4.416 1.179) 13.510 15.523 ( 7.703 -8.489 1.213) 11.527 15.523 ( 7.703 8.489 1.213) 11.527 15.907 ( -3.332 -9.793 3.152) 10.814 15.907 ( -3.332 9.793 3.152) 10.814 19.808 ( 0.489 -7.965 0.620) 8.004 19.808 ( 0.489 7.965 0.620) 8.004 19.856 ( -0.632 -14.659 0.540) 14.682 19.856 ( -0.632 14.659 0.540) 14.682 20.920 ( 5.339 -12.232 -8.503) 15.825 20.920 ( 5.339 12.232 -8.503) 15.825 21.497 ( -9.795 -9.939 -12.418) 18.680 21.497 ( -9.795 9.939 -12.418) 18.680 22.390 ( 2.922 -3.080 -1.979) 4.684 22.390 ( 2.922 3.080 -1.979) 4.684 22.651 ( -4.438 -1.589 1.614) 4.982 22.651 ( -4.438 1.589 1.614) 4.982 23.478 ( 9.958 -4.447 9.261) 14.308 23.478 ( 9.958 4.447 9.261) 14.308 23.966 ( -3.629 -5.892 -1.779) 7.145 23.966 ( -3.629 5.892 -1.779) 7.145 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 11.977 -14.963 10.760) 21.980 2.931 ( 11.977 14.963 10.760) 21.980 3.157 ( -11.142 -15.580 13.268) 23.300 3.157 ( -11.142 15.580 13.268) 23.300 3.453 ( 11.113 -15.006 11.113) 21.730 3.453 ( 11.113 15.006 11.113) 21.730 3.661 ( -9.157 -14.043 11.972) 20.600 3.661 ( -9.157 14.043 11.972) 20.600 4.041 ( 8.965 -19.691 4.224) 22.044 4.041 ( 8.965 19.691 4.224) 22.044 4.206 ( -7.900 -19.178 4.767) 21.282 4.206 ( -7.900 19.178 4.767) 21.282 4.530 ( 0.414 -6.128 -0.876) 6.204 4.530 ( 0.414 6.128 -0.876) 6.204 4.594 ( -7.595 -6.738 -3.376) 10.700 4.594 ( -7.595 6.738 -3.376) 10.700 5.594 ( 6.277 -6.574 -8.035) 12.132 5.594 ( 6.277 6.574 -8.035) 12.132 5.732 ( -7.857 -6.392 -6.197) 11.874 5.732 ( -7.857 6.392 -6.197) 11.874 6.491 ( 8.514 -3.034 -6.734) 11.271 6.491 ( 8.514 3.034 -6.734) 11.271 6.628 ( -4.120 -4.204 -8.436) 10.287 6.628 ( -4.120 4.204 -8.436) 10.287 7.295 ( 4.138 -3.572 -4.089) 6.827 7.295 ( 4.138 3.572 -4.089) 6.827 7.391 ( -4.886 -5.321 -6.352) 9.620 7.391 ( -4.886 5.321 -6.352) 9.620 8.170 ( 5.108 -3.783 1.753) 6.594 8.170 ( 5.108 3.783 1.753) 6.594 8.236 ( -0.843 -4.650 4.703) 6.667 8.236 ( -0.843 4.650 4.703) 6.667 8.515 ( 9.083 -6.132 -6.340) 12.661 8.515 ( 9.083 6.132 -6.340) 12.661 8.702 ( -8.776 -11.699 -6.861) 16.154 8.702 ( -8.776 11.699 -6.861) 16.154 9.118 ( 3.634 -10.170 -8.516) 13.753 9.118 ( 3.634 10.170 -8.516) 13.753 9.197 ( -4.279 -5.700 -9.459) 11.844 9.197 ( -4.279 5.700 -9.459) 11.844 9.693 ( 3.760 -11.693 -6.226) 13.770 9.693 ( 3.760 11.693 -6.226) 13.770 9.793 ( -6.765 -8.702 -7.778) 13.490 9.793 ( -6.765 8.702 -7.778) 13.490 10.561 ( 9.113 -6.117 6.810) 12.917 10.561 ( 9.113 6.117 6.810) 12.917 10.729 ( -8.656 -7.150 7.442) 13.470 10.729 ( -8.656 7.150 7.442) 13.470 11.384 ( 9.126 -8.460 -5.986) 13.809 11.384 ( 9.126 8.460 -5.986) 13.809 11.561 ( -9.037 -8.458 -2.873) 12.707 11.561 ( -9.037 8.458 -2.873) 12.707 12.424 ( 5.609 -4.811 3.760) 8.291 12.424 ( 5.609 4.811 3.760) 8.291 12.560 ( -8.288 -6.938 1.579) 10.923 12.560 ( -8.288 6.938 1.579) 10.923 13.380 ( 11.024 -4.955 1.287) 12.154 13.380 ( 11.024 4.955 1.287) 12.154 13.573 ( -9.025 -6.629 -1.410) 11.287 13.573 ( -9.025 6.629 -1.410) 11.287 14.003 ( 16.269 -1.577 2.419) 16.524 14.003 ( 16.269 1.577 2.419) 16.524 14.321 ( -16.856 -3.717 1.637) 17.338 14.321 ( -16.856 3.717 1.637) 17.338 15.679 ( 8.189 -9.288 2.062) 12.553 15.679 ( 8.189 9.288 2.062) 12.553 15.817 ( -6.227 -9.705 2.802) 11.866 15.817 ( -6.227 9.705 2.802) 11.866 19.822 ( 0.902 -11.373 0.495) 11.420 19.822 ( 0.902 11.373 0.495) 11.420 19.840 ( -0.990 -13.725 0.476) 13.769 19.840 ( -0.990 13.725 0.476) 13.769 21.065 ( 9.883 -14.411 -8.377) 19.379 21.065 ( 9.883 14.411 -8.377) 19.379 21.279 ( -12.329 -14.254 -9.501) 21.105 21.279 ( -12.329 14.254 -9.501) 21.105 22.463 ( 4.612 -2.886 -1.263) 5.585 22.463 ( 4.612 2.886 -1.263) 5.585 22.557 ( -5.221 -2.226 0.407) 5.691 22.557 ( -5.221 2.226 0.407) 5.691 23.685 ( 10.883 -4.805 4.432) 12.696 23.685 ( 10.883 4.805 4.432) 12.696 23.861 ( -7.609 -5.329 0.656) 9.313 23.861 ( -7.609 5.329 0.656) 9.313 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.000 0.000 -2.710) 2.710 1.980 ( 0.000 0.000 24.695) 24.695 2.044 ( 0.000 0.000 1.823) 1.823 2.185 ( 0.000 0.000 33.751) 33.751 3.005 ( 0.000 0.000 -7.287) 7.287 3.120 ( 0.000 0.000 2.342) 2.342 3.369 ( 0.000 0.000 -8.112) 8.112 3.485 ( 0.000 0.000 20.903) 20.903 3.787 ( 0.000 0.000 5.537) 5.537 4.175 ( 0.000 0.000 7.023) 7.023 4.181 ( 0.000 0.000 24.303) 24.303 4.254 ( 0.000 0.000 -0.822) 0.822 4.583 ( 0.000 0.000 7.196) 7.196 4.668 ( 0.000 0.000 -6.091) 6.091 4.922 ( 0.000 0.000 5.896) 5.896 5.090 ( 0.000 0.000 2.917) 2.917 5.332 ( 0.000 0.000 7.842) 7.842 5.398 ( 0.000 0.000 -1.065) 1.065 5.638 ( 0.000 0.000 -3.000) 3.000 5.664 ( 0.000 0.000 -1.871) 1.871 6.383 ( 0.000 0.000 1.633) 1.633 6.447 ( 0.000 0.000 -24.025) 24.025 6.462 ( 0.000 0.000 1.309) 1.309 6.478 ( 0.000 0.000 -18.330) 18.330 6.730 ( 0.000 0.000 -1.719) 1.719 7.091 ( 0.000 0.000 -0.523) 0.523 7.188 ( 0.000 0.000 -8.682) 8.682 7.377 ( 0.000 0.000 -4.219) 4.219 7.763 ( 0.000 0.000 9.962) 9.962 7.841 ( 0.000 0.000 10.088) 10.088 7.976 ( 0.000 0.000 -2.489) 2.489 8.094 ( 0.000 0.000 -8.393) 8.393 8.104 ( 0.000 0.000 4.992) 4.992 8.299 ( 0.000 0.000 3.553) 3.553 8.353 ( 0.000 0.000 24.178) 24.178 8.928 ( 0.000 0.000 -8.219) 8.219 9.147 ( 0.000 0.000 -4.902) 4.902 9.202 ( 0.000 0.000 2.192) 2.192 9.219 ( 0.000 0.000 -14.475) 14.475 9.435 ( 0.000 0.000 11.551) 11.551 9.802 ( 0.000 0.000 -12.191) 12.191 9.885 ( 0.000 0.000 -5.701) 5.701 10.116 ( 0.000 0.000 -4.791) 4.791 10.456 ( 0.000 0.000 0.764) 0.764 10.461 ( 0.000 0.000 -2.307) 2.307 10.478 ( 0.000 0.000 -13.936) 13.936 10.805 ( 0.000 0.000 -21.665) 21.665 10.814 ( 0.000 0.000 -0.676) 0.676 11.151 ( 0.000 0.000 -2.946) 2.946 11.280 ( 0.000 0.000 -6.526) 6.526 11.991 ( 0.000 0.000 -11.323) 11.323 12.027 ( 0.000 0.000 -5.061) 5.061 12.241 ( 0.000 0.000 8.176) 8.176 12.759 ( 0.000 0.000 6.072) 6.072 12.819 ( 0.000 0.000 -0.106) 0.106 12.836 ( 0.000 0.000 1.349) 1.349 12.966 ( 0.000 0.000 -7.346) 7.346 13.068 ( 0.000 0.000 5.452) 5.452 13.104 ( 0.000 0.000 0.200) 0.200 13.248 ( 0.000 0.000 -3.506) 3.506 13.650 ( 0.000 0.000 7.070) 7.070 13.925 ( 0.000 0.000 -10.586) 10.586 14.236 ( 0.000 0.000 10.543) 10.543 14.987 ( 0.000 0.000 -5.520) 5.520 15.213 ( 0.000 0.000 9.063) 9.063 15.844 ( 0.000 0.000 -5.069) 5.069 17.091 ( 0.000 0.000 2.691) 2.691 17.407 ( 0.000 0.000 -3.203) 3.203 18.768 ( 0.000 0.000 0.001) 0.001 18.772 ( 0.000 0.000 -0.165) 0.165 18.804 ( 0.000 0.000 0.490) 0.490 18.822 ( 0.000 0.000 0.156) 0.156 20.622 ( 0.000 0.000 2.996) 2.996 20.770 ( 0.000 0.000 1.675) 1.675 21.470 ( 0.000 0.000 -2.236) 2.236 21.779 ( 0.000 0.000 -2.424) 2.424 22.349 ( 0.000 0.000 -4.065) 4.065 22.394 ( 0.000 0.000 -3.835) 3.835 22.673 ( 0.000 0.000 1.315) 1.315 22.805 ( 0.000 0.000 -0.030) 0.030 23.561 ( 0.000 0.000 14.098) 14.098 23.888 ( 0.000 0.000 -2.411) 2.411 23.938 ( 0.000 0.000 2.863) 2.863 24.664 ( 0.000 0.000 -10.679) 10.679 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 5.504 0.000 -2.312) 5.970 1.984 ( -4.407 0.000 4.296) 6.154 2.094 ( 9.710 0.000 18.755) 21.120 2.380 ( 18.777 0.000 28.988) 34.538 2.890 ( -10.577 0.000 -1.048) 10.629 3.150 ( 2.176 0.000 -1.352) 2.562 3.336 ( -3.158 0.000 -7.078) 7.750 3.446 ( -6.764 0.000 16.362) 17.705 3.728 ( -1.775 0.000 7.667) 7.870 4.165 ( -3.544 0.000 4.073) 5.399 4.244 ( 6.661 0.000 4.762) 8.188 4.342 ( 7.788 0.000 15.218) 17.095 4.618 ( 5.055 0.000 10.562) 11.709 4.634 ( -3.585 0.000 -5.279) 6.381 4.892 ( -2.927 0.000 7.841) 8.369 5.067 ( -2.087 0.000 5.406) 5.795 5.286 ( 1.438 0.000 1.928) 2.405 5.549 ( 7.381 0.000 0.012) 7.381 5.647 ( 1.086 0.000 -2.484) 2.711 5.686 ( 1.632 0.000 -1.678) 2.341 6.387 ( 2.341 0.000 1.339) 2.697 6.410 ( -3.442 0.000 -17.515) 17.850 6.473 ( -2.160 0.000 -18.952) 19.075 6.523 ( 4.930 0.000 0.216) 4.935 6.713 ( -1.809 0.000 -1.713) 2.491 6.936 ( -10.350 0.000 -0.801) 10.381 7.066 ( -11.819 0.000 -6.623) 13.549 7.280 ( -9.722 0.000 -9.195) 13.382 7.778 ( 1.430 0.000 7.432) 7.568 7.826 ( -1.267 0.000 9.477) 9.561 7.936 ( -3.550 0.000 -0.951) 3.675 7.966 ( -6.258 0.000 1.840) 6.523 8.288 ( 11.667 0.000 -2.375) 11.906 8.309 ( 1.037 0.000 5.619) 5.714 8.359 ( 0.285 0.000 20.897) 20.899 8.888 ( -2.831 0.000 -4.887) 5.648 9.120 ( -2.661 0.000 0.259) 2.674 9.338 ( 8.654 0.000 -1.875) 8.855 9.364 ( 13.933 0.000 -14.442) 20.067 9.511 ( 6.753 0.000 2.363) 7.155 9.721 ( -5.224 0.000 -7.198) 8.894 9.882 ( -0.432 0.000 -6.979) 6.992 10.112 ( -0.188 0.000 -4.061) 4.065 10.428 ( -3.189 0.000 0.183) 3.194 10.476 ( 2.806 0.000 -9.859) 10.250 10.477 ( 1.188 0.000 -2.842) 3.081 10.696 ( -9.798 0.000 -17.675) 20.209 10.910 ( 2.891 0.000 -8.007) 8.513 11.137 ( 2.295 0.000 -0.746) 2.413 11.372 ( 8.064 0.000 -5.527) 9.776 11.896 ( -4.940 0.000 -7.911) 9.327 12.074 ( -2.045 0.000 -8.109) 8.363 12.319 ( 7.435 0.000 5.636) 9.330 12.663 ( -4.312 0.000 1.730) 4.646 12.723 ( -3.655 0.000 3.654) 5.168 12.919 ( -1.326 0.000 -4.615) 4.801 12.984 ( 1.740 0.000 -2.950) 3.425 13.072 ( 0.153 0.000 2.778) 2.782 13.103 ( 0.192 0.000 1.299) 1.313 13.226 ( -2.183 0.000 -3.527) 4.148 13.758 ( 12.479 0.000 4.865) 13.393 14.006 ( 6.897 0.000 -7.531) 10.212 14.248 ( 1.075 0.000 8.953) 9.018 14.835 ( -13.579 0.000 -2.637) 13.832 15.278 ( 4.960 0.000 7.002) 8.580 15.756 ( -8.672 0.000 -1.884) 8.874 17.106 ( 1.694 0.000 2.401) 2.939 17.349 ( -5.274 0.000 -1.602) 5.511 18.766 ( -0.083 0.000 -0.035) 0.090 18.772 ( -0.076 0.000 -0.192) 0.206 18.806 ( 0.259 0.000 0.497) 0.561 18.821 ( -0.079 0.000 0.209) 0.223 20.628 ( 1.730 0.000 3.854) 4.224 20.815 ( 2.161 0.000 3.231) 3.887 21.478 ( 2.523 0.000 -5.469) 6.022 21.814 ( 1.649 0.000 -5.346) 5.595 22.282 ( -2.984 0.000 -1.652) 3.411 22.460 ( 4.257 0.000 -4.511) 6.203 22.606 ( -6.465 0.000 1.158) 6.568 22.768 ( -4.031 0.000 -1.183) 4.201 23.593 ( 3.016 0.000 13.026) 13.371 23.763 ( -5.202 0.000 3.761) 6.419 24.136 ( 12.307 0.000 -3.027) 12.674 24.633 ( -3.428 0.000 -9.947) 10.521 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 8.778 0.000 -1.135) 8.851 1.857 ( -8.438 0.000 0.662) 8.464 2.343 ( 15.570 0.000 14.182) 21.061 2.641 ( -15.304 0.000 6.539) 16.642 2.793 ( 23.055 0.000 21.151) 31.287 3.193 ( -18.582 0.000 15.896) 24.454 3.198 ( 3.072 0.000 -3.389) 4.574 3.266 ( -3.953 0.000 -5.198) 6.530 3.804 ( 8.542 0.000 2.925) 9.028 4.002 ( -11.430 0.000 -3.632) 11.993 4.392 ( 8.327 0.000 0.646) 8.352 4.536 ( -6.674 0.000 -2.933) 7.290 4.564 ( 13.074 0.000 17.133) 21.552 4.711 ( -0.178 0.000 10.316) 10.318 4.851 ( 3.507 0.000 14.581) 14.997 5.006 ( -6.824 0.000 14.659) 16.169 5.378 ( 8.123 0.000 -2.699) 8.559 5.552 ( -7.564 0.000 -1.508) 7.713 5.676 ( 1.758 0.000 -1.618) 2.390 5.700 ( -0.439 0.000 -1.223) 1.299 6.350 ( -0.993 0.000 -10.568) 10.615 6.392 ( -4.478 0.000 -11.316) 12.170 6.502 ( 9.473 0.000 -0.239) 9.476 6.621 ( 4.929 0.000 -1.250) 5.085 6.659 ( -3.739 0.000 -1.593) 4.064 6.805 ( -13.924 0.000 -3.827) 14.440 6.891 ( 5.285 0.000 -12.861) 13.905 7.065 ( -11.723 0.000 -14.842) 18.913 7.814 ( 2.387 0.000 3.827) 4.511 7.815 ( 0.674 0.000 8.888) 8.914 7.863 ( -4.342 0.000 6.344) 7.687 7.868 ( -3.345 0.000 1.248) 3.571 8.334 ( 1.371 0.000 10.201) 10.293 8.355 ( -0.760 0.000 15.615) 15.633 8.524 ( 13.123 0.000 -0.521) 13.134 8.759 ( -10.900 0.000 2.021) 11.086 9.160 ( 6.538 0.000 -7.039) 9.607 9.312 ( -8.085 0.000 -5.502) 9.779 9.657 ( 6.101 0.000 -3.042) 6.818 9.663 ( 15.352 0.000 -15.107) 21.539 9.700 ( 0.686 0.000 1.042) 1.248 9.849 ( -4.266 0.000 -11.317) 12.094 10.132 ( 3.602 0.000 -2.326) 4.288 10.287 ( -11.291 0.000 -3.184) 11.731 10.502 ( 1.629 0.000 -3.282) 3.664 10.549 ( -4.260 0.000 -7.019) 8.211 10.612 ( 10.437 0.000 -10.648) 14.910 10.816 ( -9.923 0.000 -11.437) 15.142 11.297 ( 12.114 0.000 2.684) 12.407 11.473 ( -2.018 0.000 -1.094) 2.295 11.836 ( 0.907 0.000 -9.833) 9.874 11.947 ( -8.534 0.000 -6.459) 10.703 12.479 ( 8.726 0.000 2.146) 8.986 12.626 ( -6.618 0.000 1.341) 6.752 12.694 ( 5.753 0.000 -3.894) 6.947 12.823 ( -7.094 0.000 -6.348) 9.519 13.023 ( 2.193 0.000 2.671) 3.456 13.059 ( -1.462 0.000 2.881) 3.231 13.125 ( 2.088 0.000 -1.295) 2.457 13.175 ( -2.988 0.000 -3.463) 4.574 14.061 ( 15.294 0.000 -0.634) 15.307 14.125 ( 4.593 0.000 -3.676) 5.882 14.276 ( 3.779 0.000 5.768) 6.896 14.528 ( -18.129 0.000 0.040) 18.130 15.388 ( 7.259 0.000 6.561) 9.785 15.561 ( -10.782 0.000 3.848) 11.448 17.156 ( 3.687 0.000 1.590) 4.015 17.243 ( -5.425 0.000 0.398) 5.440 18.766 ( 0.094 0.000 -0.111) 0.146 18.769 ( -0.201 0.000 -0.182) 0.271 18.812 ( 0.371 0.000 0.443) 0.577 18.818 ( -0.251 0.000 0.327) 0.412 20.696 ( 5.086 0.000 5.172) 7.254 20.792 ( -4.227 0.000 5.662) 7.066 21.596 ( 9.151 0.000 -9.668) 13.312 21.765 ( -7.148 0.000 -9.496) 11.886 22.307 ( 5.808 0.000 0.488) 5.828 22.456 ( -8.774 0.000 0.664) 8.800 22.551 ( 5.474 0.000 -4.214) 6.908 22.665 ( -6.326 0.000 -3.006) 7.004 23.653 ( 2.882 0.000 10.529) 10.916 23.699 ( -2.338 0.000 7.450) 7.808 24.358 ( 10.864 0.000 -5.945) 12.384 24.531 ( -7.438 0.000 -8.170) 11.049 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.000 24.136 -2.440) 24.259 2.157 ( 0.000 7.370 15.831) 17.463 2.240 ( 0.000 22.230 21.497) 30.924 2.347 ( 0.000 17.658 15.992) 23.824 3.170 ( 0.000 13.701 -4.944) 14.566 3.317 ( 0.000 15.470 2.580) 15.684 3.493 ( 0.000 11.413 -5.449) 12.647 3.512 ( 0.000 3.672 18.725) 19.082 3.806 ( 0.000 1.228 0.081) 1.230 4.000 ( 0.000 -6.717 20.030) 21.126 4.250 ( 0.000 -0.928 -5.418) 5.497 4.342 ( 0.000 6.243 17.865) 18.925 4.516 ( 0.000 -4.504 11.731) 12.566 4.780 ( 0.000 5.966 3.009) 6.682 4.888 ( 0.000 -0.406 -0.271) 0.488 5.136 ( 0.000 3.205 -0.320) 3.221 5.307 ( 0.000 -0.963 5.353) 5.439 5.337 ( 0.000 -1.461 -0.142) 1.468 5.679 ( 0.000 0.359 -2.077) 2.108 5.768 ( 0.000 9.919 -4.460) 10.876 6.238 ( 0.000 -14.032 -11.488) 18.135 6.286 ( 0.000 -9.573 -12.590) 15.816 6.426 ( 0.000 -0.192 -7.043) 7.045 6.683 ( 0.000 11.305 -5.641) 12.634 6.952 ( 0.000 16.824 -7.271) 18.328 6.983 ( 0.000 -5.625 -1.879) 5.930 7.246 ( 0.000 1.793 -7.665) 7.872 7.431 ( 0.000 4.724 -5.319) 7.114 7.577 ( 0.000 -9.156 6.684) 11.336 7.814 ( 0.000 -14.946 15.680) 21.662 7.889 ( 0.000 -5.966 -4.987) 7.776 8.036 ( 0.000 7.722 5.308) 9.370 8.136 ( 0.000 2.358 -6.200) 6.633 8.312 ( 0.000 1.253 3.628) 3.838 8.514 ( 0.000 7.379 14.698) 16.446 8.950 ( 0.000 1.175 -8.151) 8.236 8.994 ( 0.000 -8.429 -10.673) 13.600 9.205 ( 0.000 0.353 2.672) 2.695 9.296 ( 0.000 3.836 3.425) 5.142 9.561 ( 0.000 8.088 1.605) 8.245 9.710 ( 0.000 -11.988 -5.426) 13.159 9.727 ( 0.000 -6.519 -14.938) 16.299 10.025 ( 0.000 -9.177 -6.397) 11.187 10.471 ( 0.000 2.159 -0.531) 2.223 10.510 ( 0.000 4.679 0.244) 4.685 10.565 ( 0.000 5.091 -12.121) 13.146 10.669 ( 0.000 -10.470 -15.371) 18.598 10.796 ( 0.000 -2.529 -0.778) 2.646 11.111 ( 0.000 -3.023 -1.852) 3.545 11.337 ( 0.000 2.394 -10.792) 11.054 11.938 ( 0.000 -4.761 -8.470) 9.717 11.986 ( 0.000 -2.418 -3.081) 3.917 12.317 ( 0.000 5.510 7.962) 9.683 12.481 ( 0.000 -11.274 4.449) 12.120 12.674 ( 0.000 -9.282 -1.872) 9.469 12.997 ( 0.000 1.913 1.556) 2.465 13.099 ( 0.000 5.800 -5.179) 7.775 13.163 ( 0.000 10.726 1.357) 10.811 13.177 ( 0.000 6.416 0.519) 6.437 13.243 ( 0.000 0.119 -0.408) 0.425 13.815 ( 0.000 14.148 6.006) 15.371 13.892 ( 0.000 -2.962 -9.535) 9.984 14.229 ( 0.000 -0.694 10.461) 10.484 14.956 ( 0.000 -2.897 -4.803) 5.610 15.242 ( 0.000 2.735 7.363) 7.855 15.806 ( 0.000 -3.426 -4.758) 5.863 16.923 ( 0.000 -14.242 2.566) 14.471 16.952 ( 0.000 -31.473 6.342) 32.105 18.908 ( 0.000 11.406 0.245) 11.409 18.916 ( 0.000 8.777 0.590) 8.797 18.971 ( 0.000 16.923 -1.275) 16.971 19.306 ( 0.000 36.544 -12.733) 38.699 20.579 ( 0.000 -4.036 2.981) 5.018 20.744 ( 0.000 -2.341 1.312) 2.683 21.467 ( 0.000 -0.417 -3.122) 3.150 21.737 ( 0.000 -4.053 -2.709) 4.875 22.340 ( 0.000 -0.815 -3.658) 3.748 22.393 ( 0.000 -0.155 -3.692) 3.695 22.676 ( 0.000 0.330 1.288) 1.329 22.794 ( 0.000 -0.961 0.005) 0.961 23.556 ( 0.000 -0.410 13.716) 13.722 23.850 ( 0.000 -3.502 -0.996) 3.641 23.924 ( 0.000 -1.243 2.568) 2.853 24.562 ( 0.000 -9.035 -8.272) 12.250 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 4.169 22.909 -1.712) 23.349 2.170 ( -0.730 14.837 6.726) 16.307 2.319 ( 5.964 19.250 16.679) 26.160 2.470 ( 15.592 10.431 22.730) 29.471 3.060 ( -10.135 14.011 0.424) 17.298 3.334 ( 0.616 14.603 0.352) 14.620 3.467 ( -2.259 11.038 -1.894) 11.424 3.488 ( -4.756 5.833 12.598) 14.675 3.739 ( -2.615 0.861 2.867) 3.975 4.064 ( 3.617 -5.102 9.718) 11.557 4.269 ( 1.838 -1.579 -1.155) 2.684 4.384 ( 4.551 3.855 17.330) 18.327 4.571 ( 4.136 -2.720 11.248) 12.290 4.757 ( -1.174 7.785 3.389) 8.571 4.852 ( -1.937 -3.279 3.719) 5.323 5.053 ( -5.539 -0.450 4.078) 6.893 5.278 ( -0.884 2.667 -1.532) 3.200 5.456 ( 4.026 -5.779 -0.129) 7.044 5.699 ( 3.374 0.711 -1.497) 3.760 5.806 ( 3.145 10.274 -3.698) 11.364 6.222 ( -1.080 -13.712 -10.925) 17.565 6.303 ( 1.678 -9.025 -8.453) 12.479 6.401 ( -2.682 0.003 -9.685) 10.050 6.672 ( -2.995 2.556 -6.978) 8.012 6.849 ( -5.251 6.604 -0.827) 8.478 7.017 ( 1.460 12.163 -7.223) 14.221 7.086 ( -11.773 5.856 -5.216) 14.146 7.392 ( -5.812 8.206 -7.051) 12.281 7.609 ( 2.993 -9.079 6.529) 11.576 7.792 ( -2.006 -11.817 11.709) 16.756 7.899 ( 0.348 -2.730 -3.380) 4.358 8.003 ( -3.118 7.661 5.102) 9.718 8.202 ( 5.545 -0.572 -1.393) 5.746 8.298 ( -0.744 -1.040 5.231) 5.385 8.553 ( 3.342 9.151 12.282) 15.677 8.854 ( -1.090 -3.562 -8.490) 9.271 9.124 ( -3.783 0.956 2.463) 4.614 9.232 ( 12.120 -6.625 -10.148) 17.139 9.329 ( -0.753 -3.268 -1.427) 3.645 9.594 ( 2.524 -0.407 1.310) 2.873 9.671 ( 3.715 0.883 -8.259) 9.099 9.828 ( 3.671 -6.037 -9.270) 11.656 10.033 ( 1.219 -7.705 -5.808) 9.725 10.393 ( -7.198 -5.975 -11.781) 15.043 10.473 ( -2.533 3.944 0.314) 4.697 10.528 ( -0.322 3.492 -4.445) 5.662 10.650 ( -2.259 -2.463 -7.178) 7.918 10.864 ( 0.130 -4.693 -7.932) 9.217 11.127 ( 5.441 -0.480 -0.224) 5.467 11.413 ( 6.775 1.663 -8.291) 10.836 11.862 ( -5.255 -3.260 -6.419) 8.913 12.018 ( -1.042 -3.911 -5.697) 6.988 12.378 ( 5.435 3.151 5.934) 8.642 12.460 ( -1.979 -8.700 4.229) 9.874 12.619 ( -2.075 -9.629 -0.117) 9.851 12.910 ( -6.299 2.755 -1.127) 6.967 13.143 ( 1.696 6.352 -1.554) 6.755 13.149 ( 0.053 5.084 1.613) 5.334 13.176 ( -1.637 0.762 -2.042) 2.726 13.318 ( 3.791 12.486 -5.205) 14.049 13.813 ( 7.287 3.381 3.590) 8.799 14.027 ( 8.440 3.573 -4.119) 10.048 14.240 ( 1.023 -0.826 9.111) 9.205 14.816 ( -12.983 -1.879 -2.779) 13.410 15.295 ( 4.244 1.762 6.210) 7.725 15.718 ( -8.530 -3.417 -1.400) 9.295 16.926 ( 0.382 -15.703 2.814) 15.958 16.955 ( 0.125 -27.529 4.912) 27.965 18.904 ( -0.229 10.733 0.315) 10.740 18.915 ( -0.216 9.089 0.730) 9.121 18.993 ( 2.254 18.391 -1.746) 18.610 19.249 ( -5.270 33.598 -9.882) 35.415 20.591 ( 2.140 -3.461 3.739) 5.526 20.790 ( 2.227 -2.337 2.670) 4.189 21.460 ( 1.395 -1.819 -5.731) 6.173 21.774 ( 1.521 -3.912 -5.880) 7.225 22.282 ( -2.388 0.079 -1.410) 2.774 22.453 ( 4.106 -0.609 -4.282) 5.963 22.611 ( -6.387 0.402 1.136) 6.499 22.756 ( -4.075 -1.033 -1.058) 4.335 23.591 ( 3.248 -0.150 12.598) 13.010 23.751 ( -4.372 -1.075 3.780) 5.878 24.092 ( 11.136 -3.934 -2.013) 11.981 24.536 ( -2.883 -8.623 -7.735) 11.937 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 7.454 21.040 -0.702) 22.332 2.081 ( -7.282 19.417 0.585) 20.746 2.521 ( 14.043 14.981 15.237) 25.569 2.761 ( -1.804 8.782 10.063) 13.478 2.894 ( 8.084 11.287 14.345) 19.963 3.217 ( -15.851 4.575 10.844) 19.743 3.398 ( 0.148 15.676 1.145) 15.719 3.426 ( -2.108 13.795 -2.075) 14.109 3.801 ( 7.886 -0.094 0.195) 7.889 3.983 ( -9.922 -1.346 -5.009) 11.196 4.405 ( 9.222 -0.830 7.037) 11.630 4.503 ( 4.177 -1.797 14.691) 15.379 4.578 ( 1.861 -1.154 7.879) 8.178 4.756 ( -8.369 1.180 3.835) 9.281 4.839 ( 7.396 1.703 13.249) 15.269 4.978 ( -4.851 -2.323 13.061) 14.125 5.285 ( 3.463 -2.353 -5.305) 6.758 5.405 ( -7.137 -6.484 -4.253) 10.539 5.806 ( 5.557 3.481 -1.990) 6.853 5.851 ( 0.759 9.202 -2.722) 9.626 6.225 ( 2.121 -8.416 -6.802) 11.027 6.311 ( -6.171 1.101 -5.439) 8.299 6.365 ( 5.545 -11.414 -7.272) 14.625 6.524 ( -10.554 -12.496 -8.622) 18.490 6.854 ( 4.079 12.565 -3.795) 13.745 6.929 ( -4.400 13.922 -4.856) 15.387 7.071 ( 5.047 14.528 -9.146) 17.893 7.228 ( -10.318 12.102 -9.850) 18.706 7.673 ( 3.653 -7.459 6.837) 10.758 7.741 ( -3.355 -8.222 7.957) 11.923 7.905 ( 0.760 2.237 0.496) 2.415 7.939 ( -2.981 5.485 3.906) 7.364 8.285 ( 2.329 -2.778 7.151) 8.017 8.297 ( 0.311 -2.636 8.143) 8.564 8.651 ( 7.708 7.861 4.730) 11.982 8.810 ( -6.864 3.364 1.097) 7.722 9.102 ( 4.201 -4.502 -5.839) 8.486 9.226 ( -7.239 -7.606 -7.401) 12.847 9.485 ( 12.147 -7.415 -6.682) 15.721 9.623 ( -1.244 -5.952 0.261) 6.086 9.767 ( 3.373 -0.323 -9.998) 10.557 9.823 ( -3.457 -3.509 -9.176) 10.415 10.105 ( 7.190 -3.613 -6.077) 10.084 10.263 ( -8.087 -7.634 -13.098) 17.182 10.446 ( 1.454 1.378 0.575) 2.085 10.500 ( -2.947 0.436 -2.405) 3.829 10.666 ( 4.389 1.832 -5.296) 7.118 10.779 ( -6.673 -2.688 -8.975) 11.503 11.312 ( 12.314 0.700 1.256) 12.398 11.497 ( -2.785 1.204 -2.077) 3.677 11.788 ( 1.127 -4.483 -8.650) 9.807 11.912 ( -8.497 -3.172 -5.946) 10.845 12.454 ( 1.608 -6.531 2.324) 7.117 12.464 ( 1.628 -7.045 3.937) 8.233 12.653 ( 5.377 -2.785 -1.609) 6.265 12.783 ( -7.323 1.590 -1.943) 7.741 13.106 ( -0.649 3.654 1.442) 3.982 13.129 ( -2.552 1.101 0.009) 2.780 13.236 ( 4.668 9.024 -3.338) 10.694 13.311 ( -3.021 12.573 -5.804) 14.174 14.079 ( 15.646 1.189 -0.589) 15.703 14.152 ( 4.106 2.756 -1.665) 5.218 14.268 ( 3.364 -0.850 6.356) 7.241 14.516 ( -17.996 -1.219 0.057) 18.037 15.388 ( 6.067 0.315 6.014) 8.548 15.536 ( -9.559 -2.017 3.935) 10.532 16.938 ( 0.802 -17.963 2.808) 18.199 16.951 ( -0.512 -21.912 3.325) 22.169 18.903 ( 0.170 9.986 0.546) 10.003 18.909 ( -0.367 9.437 0.720) 9.471 19.052 ( 3.956 22.153 -3.018) 22.705 19.141 ( -5.527 27.641 -5.596) 28.738 20.666 ( 5.402 -2.750 4.859) 7.769 20.767 ( -4.353 -2.312 5.176) 7.147 21.560 ( 8.494 -3.510 -9.659) 13.333 21.722 ( -7.046 -4.143 -9.665) 12.658 22.315 ( 5.890 0.775 0.353) 5.951 22.462 ( -8.659 0.644 0.569) 8.701 22.541 ( 5.368 -0.848 -3.948) 6.717 22.653 ( -6.247 -1.012 -2.760) 6.904 23.654 ( 2.923 0.163 10.083) 10.499 23.697 ( -2.005 -0.067 7.132) 7.409 24.293 ( 9.806 -5.847 -4.617) 12.315 24.448 ( -6.528 -7.473 -6.407) 11.811 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 0.000 10.733 18.720) 21.578 2.357 ( 0.000 27.812 0.471) 27.816 2.779 ( 0.000 26.687 16.958) 31.619 2.841 ( 0.000 26.355 6.501) 27.145 3.478 ( 0.000 -1.575 10.599) 10.716 3.483 ( 0.000 15.349 0.881) 15.374 3.687 ( 0.000 6.210 12.331) 13.806 3.791 ( 0.000 14.339 0.195) 14.340 3.821 ( 0.000 5.581 -1.502) 5.779 4.070 ( 0.000 13.715 7.539) 15.651 4.158 ( 0.000 -8.209 -5.968) 10.149 4.438 ( 0.000 4.332 21.596) 22.026 4.487 ( 0.000 2.958 11.470) 11.846 4.699 ( 0.000 -8.328 8.517) 11.912 4.971 ( 0.000 -0.256 5.440) 5.446 5.093 ( 0.000 -5.574 3.026) 6.342 5.434 ( 0.000 15.117 -4.555) 15.789 5.488 ( 0.000 11.154 -5.377) 12.382 5.620 ( 0.000 -6.384 -6.382) 9.026 5.898 ( 0.000 -17.037 -10.224) 19.870 5.984 ( 0.000 9.501 -5.422) 10.939 6.102 ( 0.000 -6.755 -10.055) 12.113 6.371 ( 0.000 -4.336 -6.736) 8.011 6.688 ( 0.000 -10.249 -12.591) 16.235 7.105 ( 0.000 12.906 -0.593) 12.919 7.181 ( 0.000 -0.858 -11.700) 11.732 7.223 ( 0.000 -1.715 -5.333) 5.602 7.405 ( 0.000 -3.280 3.864) 5.068 7.605 ( 0.000 0.375 9.999) 10.006 7.697 ( 0.000 18.234 -7.773) 19.822 7.797 ( 0.000 -1.875 -5.477) 5.790 8.171 ( 0.000 1.078 -5.624) 5.727 8.200 ( 0.000 6.825 6.089) 9.147 8.359 ( 0.000 3.574 3.640) 5.101 8.579 ( 0.000 -0.695 6.741) 6.776 8.856 ( 0.000 -4.026 -10.134) 10.904 8.923 ( 0.000 -4.941 -9.823) 10.996 9.211 ( 0.000 -0.512 1.323) 1.418 9.382 ( 0.000 -2.528 -3.641) 4.432 9.432 ( 0.000 -4.449 7.843) 9.017 9.576 ( 0.000 -7.509 -15.979) 17.655 9.739 ( 0.000 5.514 -2.912) 6.236 9.747 ( 0.000 -15.456 -7.302) 17.094 10.426 ( 0.000 -11.276 -8.717) 14.253 10.543 ( 0.000 -2.764 -2.590) 3.788 10.568 ( 0.000 4.351 0.400) 4.370 10.693 ( 0.000 -5.808 -1.913) 6.115 10.722 ( 0.000 10.769 -5.853) 12.257 11.054 ( 0.000 -2.202 0.253) 2.216 11.317 ( 0.000 -3.550 -7.835) 8.602 11.792 ( 0.000 -8.504 -5.576) 10.169 11.956 ( 0.000 -1.712 -2.990) 3.445 12.320 ( 0.000 0.016 8.413) 8.413 12.501 ( 0.000 7.958 3.449) 8.673 12.518 ( 0.000 -4.611 -1.050) 4.729 13.014 ( 0.000 0.723 1.179) 1.383 13.120 ( 0.000 -2.967 -2.922) 4.164 13.251 ( 0.000 0.082 -1.667) 1.669 13.349 ( 0.000 5.972 -1.486) 6.154 13.365 ( 0.000 9.942 4.171) 10.781 13.814 ( 0.000 -3.941 -5.406) 6.690 14.142 ( 0.000 8.756 8.272) 12.045 14.229 ( 0.000 7.199 4.518) 8.499 14.878 ( 0.000 -4.124 -3.301) 5.283 15.320 ( 0.000 4.456 4.260) 6.164 15.709 ( 0.000 -5.644 -3.551) 6.668 16.340 ( 0.000 -24.989 9.943) 26.894 16.573 ( 0.000 -17.834 1.191) 17.874 19.169 ( 0.000 14.775 0.993) 14.808 19.220 ( 0.000 17.217 0.601) 17.227 19.388 ( 0.000 20.930 -2.388) 21.066 20.016 ( 0.000 27.534 -22.163) 35.346 20.463 ( 0.000 -5.876 2.744) 6.485 20.679 ( 0.000 -3.565 0.066) 3.565 21.448 ( 0.000 -1.470 -5.622) 5.811 21.609 ( 0.000 -8.039 -3.649) 8.828 22.321 ( 0.000 -0.844 -2.590) 2.724 22.384 ( 0.000 -0.754 -3.225) 3.312 22.687 ( 0.000 0.667 1.182) 1.357 22.769 ( 0.000 -1.295 0.155) 1.304 23.549 ( 0.000 -0.142 12.723) 12.724 23.757 ( 0.000 -4.900 2.436) 5.472 23.897 ( 0.000 -0.975 1.650) 1.917 24.334 ( 0.000 -11.600 -4.412) 12.411 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 2.720 21.042 8.198) 22.746 2.492 ( 9.329 18.348 6.562) 21.604 2.805 ( -2.194 25.288 8.447) 26.751 2.853 ( 7.227 23.242 15.257) 28.726 3.375 ( -8.357 14.195 5.473) 17.358 3.532 ( 1.367 4.803 8.318) 9.702 3.664 ( -3.956 2.277 4.552) 6.447 3.751 ( -1.830 10.999 3.706) 11.750 3.800 ( -0.453 11.131 1.440) 11.233 4.079 ( -1.026 6.864 -0.637) 6.969 4.209 ( 5.684 -2.278 -1.354) 6.272 4.443 ( 0.987 2.509 20.192) 20.371 4.538 ( 1.714 0.627 11.966) 12.105 4.688 ( -0.183 -8.468 7.074) 11.035 4.862 ( -4.629 -2.325 9.414) 10.745 5.057 ( -7.436 -2.547 3.662) 8.672 5.438 ( -2.169 8.626 -5.633) 10.528 5.474 ( 0.063 11.456 -5.616) 12.759 5.639 ( 3.185 -6.411 -6.376) 9.586 5.892 ( -0.800 -13.914 -8.389) 16.267 6.028 ( 3.911 5.632 -6.413) 9.388 6.105 ( 2.009 -6.233 -7.189) 9.724 6.426 ( 4.099 1.359 -8.633) 9.653 6.542 ( -12.438 -8.545 -12.711) 19.730 7.092 ( -1.714 13.547 2.109) 13.816 7.147 ( -2.058 -0.762 -7.557) 7.869 7.298 ( 4.784 2.615 -9.682) 11.112 7.446 ( 4.291 -4.808 4.240) 7.714 7.609 ( -0.283 4.200 7.014) 8.180 7.663 ( -2.881 14.850 -5.638) 16.143 7.855 ( 5.552 0.342 -6.014) 8.192 8.176 ( -2.166 7.717 6.314) 10.203 8.220 ( 3.256 1.580 -2.775) 4.561 8.293 ( -4.829 1.762 3.818) 6.403 8.662 ( 7.767 -1.092 4.798) 9.194 8.768 ( -2.996 -1.803 -8.367) 9.069 9.046 ( 6.245 -9.071 -11.274) 15.761 9.174 ( -3.749 1.025 2.502) 4.622 9.279 ( -5.466 -1.659 -3.218) 6.556 9.482 ( 3.265 -6.637 2.323) 7.753 9.641 ( 1.724 -12.709 -12.060) 17.605 9.705 ( -1.376 -1.612 -3.999) 4.526 9.832 ( 7.418 -7.846 -8.360) 13.655 10.223 ( -13.608 -9.238 -12.150) 20.449 10.549 ( -0.594 0.174 2.819) 2.887 10.623 ( -2.904 1.388 -1.311) 3.475 10.645 ( 3.783 4.066 -2.792) 6.216 10.794 ( 1.577 3.150 -5.039) 6.148 11.102 ( 6.697 -2.440 0.605) 7.153 11.374 ( 5.617 -5.035 -7.414) 10.577 11.743 ( -5.318 -7.954 -5.380) 10.977 11.943 ( -2.811 -4.084 -4.731) 6.853 12.333 ( 1.290 0.203 8.003) 8.109 12.427 ( -5.434 -1.009 2.910) 6.246 12.556 ( 3.952 3.747 2.234) 5.886 12.929 ( -6.964 -0.663 -0.249) 7.000 13.160 ( 0.278 -0.976 -1.478) 1.793 13.240 ( 4.913 2.599 1.103) 5.666 13.305 ( -3.531 8.342 -2.081) 9.294 13.525 ( 6.879 5.445 -7.338) 11.438 13.833 ( 6.262 -0.698 2.057) 6.628 14.186 ( 3.282 2.327 7.944) 8.905 14.235 ( 0.598 8.061 2.970) 8.612 14.758 ( -11.663 -3.385 -2.255) 12.352 15.357 ( 3.132 4.059 4.091) 6.559 15.633 ( -6.782 -3.951 -0.341) 7.857 16.389 ( 4.344 -23.907 7.396) 25.399 16.564 ( -0.999 -18.322 1.522) 18.412 19.169 ( 0.068 14.893 1.020) 14.928 19.204 ( -1.260 16.709 0.776) 16.775 19.437 ( 4.848 21.712 -3.297) 22.489 19.914 ( -9.213 26.013 -17.281) 32.561 20.497 ( 3.717 -4.388 2.773) 6.384 20.730 ( 2.798 -2.779 0.524) 3.978 21.395 ( -1.964 -4.592 -5.960) 7.776 21.650 ( 0.916 -7.764 -7.499) 10.833 22.288 ( -0.697 0.623 -0.953) 1.335 22.434 ( 3.747 -1.266 -3.657) 5.387 22.623 ( -6.116 0.834 1.039) 6.260 22.729 ( -4.221 -1.453 -0.674) 4.515 23.592 ( 3.957 0.359 11.449) 12.119 23.725 ( -1.659 -1.234 3.958) 4.465 23.991 ( 7.620 -5.012 0.048) 9.120 24.315 ( -2.065 -11.370 -3.952) 12.213 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 6.725 23.018 4.329) 24.368 2.554 ( -4.491 23.194 1.778) 23.691 2.882 ( 11.415 18.687 12.913) 25.421 3.018 ( 5.847 16.884 9.742) 20.351 3.208 ( -4.874 16.847 10.725) 20.557 3.377 ( -14.282 10.507 7.362) 19.199 3.690 ( 4.574 3.989 3.580) 7.046 3.741 ( -0.979 10.456 4.997) 11.631 3.834 ( 5.158 7.933 -2.197) 9.714 3.983 ( -8.489 3.267 -7.622) 11.867 4.349 ( 7.894 -2.437 6.426) 10.466 4.470 ( -3.330 -2.429 16.302) 16.815 4.515 ( 3.636 -3.066 11.331) 12.289 4.652 ( -6.285 -6.514 5.940) 10.826 4.875 ( 2.814 -4.282 10.305) 11.508 4.912 ( -3.891 -3.221 10.507) 11.659 5.389 ( -0.935 8.062 -6.853) 10.622 5.430 ( -4.062 8.743 -7.270) 12.074 5.755 ( 7.357 -6.828 -6.377) 11.892 5.858 ( -3.255 -8.820 -6.780) 11.591 6.098 ( 4.640 -5.806 -10.818) 13.125 6.187 ( 0.969 -2.529 -7.766) 8.225 6.344 ( -2.947 0.936 -6.477) 7.177 6.433 ( -4.614 7.129 -4.192) 9.470 7.074 ( 0.926 7.908 -0.184) 7.965 7.111 ( -2.163 2.910 -5.784) 6.826 7.395 ( 6.292 7.861 -9.400) 13.775 7.502 ( -1.923 0.671 -2.889) 3.535 7.581 ( -0.029 10.620 -0.271) 10.624 7.617 ( -2.093 4.659 3.054) 5.951 7.970 ( 5.913 4.578 -3.122) 8.103 8.082 ( -6.396 7.757 1.414) 10.153 8.248 ( 1.348 -0.255 7.075) 7.207 8.274 ( -0.108 0.718 3.157) 3.239 8.789 ( 6.273 4.287 1.964) 7.848 8.827 ( 5.962 -2.294 -3.676) 7.370 9.043 ( -4.490 -4.735 -5.275) 8.391 9.048 ( -7.541 -3.000 -1.662) 8.285 9.340 ( 9.263 -7.050 -5.739) 12.979 9.485 ( -3.890 -7.190 -3.101) 8.743 9.635 ( -0.420 -12.227 -8.501) 14.897 9.666 ( -3.411 -9.945 -6.038) 12.124 9.962 ( 5.032 -9.692 -12.254) 16.414 10.037 ( -5.149 -9.972 -15.515) 19.149 10.535 ( -0.107 2.999 3.983) 4.987 10.562 ( -2.765 4.263 3.879) 6.392 10.725 ( 4.126 5.101 -3.480) 7.427 10.785 ( -1.973 4.988 -4.930) 7.285 11.283 ( 11.450 -4.295 -0.165) 12.230 11.461 ( -2.403 -5.339 -3.057) 6.605 11.651 ( 1.608 -8.142 -7.251) 11.021 11.811 ( -10.286 -6.571 -6.248) 13.712 12.358 ( 1.059 0.122 6.796) 6.879 12.371 ( -0.817 -0.502 5.681) 5.762 12.659 ( 6.620 0.738 0.819) 6.711 12.792 ( -7.343 -1.098 -0.153) 7.426 13.164 ( 1.219 2.964 -0.281) 3.217 13.216 ( -4.092 6.660 0.059) 7.817 13.388 ( 7.935 4.542 -4.757) 10.307 13.516 ( -5.087 5.565 -8.404) 11.291 14.099 ( 17.641 0.663 1.311) 17.702 14.239 ( 1.598 1.939 5.529) 6.074 14.241 ( 0.990 1.501 4.295) 4.656 14.477 ( -17.358 -2.341 0.391) 17.520 15.420 ( 3.638 3.132 4.242) 6.406 15.506 ( -5.836 0.197 3.326) 6.720 16.472 ( 4.024 -21.857 4.292) 22.635 16.533 ( -2.422 -19.771 2.496) 20.075 19.172 ( 0.335 15.256 1.055) 15.296 19.183 ( -0.858 15.883 0.994) 15.937 19.558 ( 7.819 23.214 -5.922) 25.201 19.726 ( -9.941 24.604 -10.533) 28.550 20.596 ( 6.456 -2.900 3.341) 7.827 20.711 ( -4.674 -2.128 3.238) 6.071 21.444 ( 6.721 -7.735 -9.357) 13.877 21.589 ( -6.949 -8.612 -10.017) 14.926 22.340 ( 6.022 1.648 -0.076) 6.244 22.483 ( -8.239 1.279 0.279) 8.343 22.517 ( 5.184 -1.450 -3.229) 6.277 22.626 ( -6.135 -1.532 -2.104) 6.664 23.665 ( 3.205 1.136 8.799) 9.433 23.704 ( -1.108 0.945 6.158) 6.328 24.136 ( 7.264 -8.455 -1.680) 11.273 24.252 ( -4.818 -10.457 -2.926) 11.879 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 0.000 12.781 15.353) 19.977 2.850 ( 0.000 15.591 6.601) 16.931 3.221 ( 0.000 9.514 16.017) 18.630 3.335 ( 0.000 18.690 6.817) 19.894 3.451 ( 0.000 9.687 5.907) 11.346 3.767 ( 0.000 0.648 4.995) 5.037 3.802 ( 0.000 3.851 10.221) 10.923 3.913 ( 0.000 4.927 7.758) 9.191 3.947 ( 0.000 6.036 1.997) 6.358 4.062 ( 0.000 0.530 -1.615) 1.700 4.389 ( 0.000 13.478 4.962) 14.363 4.511 ( 0.000 -7.951 6.936) 10.551 4.572 ( 0.000 6.574 9.366) 11.443 4.598 ( 0.000 5.524 6.566) 8.580 4.919 ( 0.000 -1.838 6.074) 6.346 4.981 ( 0.000 -4.282 5.733) 7.156 5.366 ( 0.000 -12.765 -10.430) 16.484 5.418 ( 0.000 -16.509 -9.588) 19.092 5.780 ( 0.000 5.432 -2.939) 6.176 5.856 ( 0.000 15.889 -5.895) 16.947 6.025 ( 0.000 0.918 -6.357) 6.423 6.112 ( 0.000 2.132 -6.509) 6.849 6.299 ( 0.000 -1.882 -7.738) 7.963 6.416 ( 0.000 -14.398 -13.052) 19.434 7.074 ( 0.000 -5.231 -12.407) 13.465 7.079 ( 0.000 -4.927 -12.361) 13.307 7.425 ( 0.000 9.367 2.340) 9.655 7.428 ( 0.000 5.201 0.536) 5.229 7.772 ( 0.000 13.094 0.769) 13.116 7.826 ( 0.000 4.816 -3.376) 5.881 8.055 ( 0.000 10.229 -8.252) 13.143 8.190 ( 0.000 0.865 -3.566) 3.670 8.282 ( 0.000 0.366 4.328) 4.343 8.479 ( 0.000 7.299 1.242) 7.404 8.608 ( 0.000 7.570 -0.651) 7.598 8.733 ( 0.000 -12.031 -11.532) 16.665 8.838 ( 0.000 2.460 -8.473) 8.823 9.114 ( 0.000 -14.308 -8.665) 16.728 9.151 ( 0.000 -5.535 -2.986) 6.289 9.256 ( 0.000 -20.306 -14.279) 24.824 9.559 ( 0.000 7.085 8.729) 11.243 9.612 ( 0.000 0.891 -4.893) 4.974 9.824 ( 0.000 3.770 -3.107) 4.886 10.202 ( 0.000 -10.439 -3.110) 10.892 10.439 ( 0.000 -9.287 0.195) 9.289 10.439 ( 0.000 -6.429 0.922) 6.495 10.786 ( 0.000 8.838 -3.510) 9.509 10.930 ( 0.000 5.689 -7.892) 9.729 11.050 ( 0.000 3.704 4.884) 6.130 11.234 ( 0.000 -3.924 0.436) 3.948 11.646 ( 0.000 -3.906 -4.934) 6.293 11.854 ( 0.000 -7.973 -5.690) 9.795 12.395 ( 0.000 5.575 7.379) 9.248 12.493 ( 0.000 0.983 2.702) 2.875 12.682 ( 0.000 9.097 3.487) 9.743 13.021 ( 0.000 -6.078 0.090) 6.079 13.032 ( 0.000 1.064 -0.097) 1.069 13.191 ( 0.000 -5.346 -0.548) 5.374 13.434 ( 0.000 3.135 -2.212) 3.836 13.534 ( 0.000 3.277 -3.341) 4.680 13.783 ( 0.000 3.455 6.867) 7.687 14.096 ( 0.000 -5.665 12.285) 13.528 14.543 ( 0.000 13.771 -1.878) 13.899 14.802 ( 0.000 -2.894 -1.977) 3.505 15.408 ( 0.000 3.361 3.106) 4.577 15.581 ( 0.000 -6.214 -1.364) 6.362 15.964 ( 0.000 -9.522 5.199) 10.849 16.216 ( 0.000 -15.505 -0.862) 15.529 19.509 ( 0.000 17.139 0.849) 17.160 19.577 ( 0.000 15.679 0.887) 15.704 19.761 ( 0.000 12.294 -1.578) 12.395 20.158 ( 0.000 -10.717 -3.305) 11.215 20.578 ( 0.000 12.671 -15.278) 19.849 20.626 ( 0.000 -0.280 -3.087) 3.100 21.401 ( 0.000 -3.046 -9.011) 9.512 21.426 ( 0.000 -8.155 -5.886) 10.058 22.312 ( 0.000 0.163 -1.598) 1.607 22.360 ( 0.000 -1.481 -2.410) 2.828 22.703 ( 0.000 0.877 0.977) 1.313 22.744 ( 0.000 -1.109 0.420) 1.185 23.556 ( 0.000 0.931 11.301) 11.339 23.660 ( 0.000 -4.109 6.211) 7.447 23.897 ( 0.000 1.293 0.285) 1.324 24.111 ( 0.000 -9.165 -2.198) 9.425 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 7.041 13.518 14.505) 21.041 2.919 ( 7.050 15.971 4.811) 18.109 3.254 ( -4.392 12.345 9.399) 16.125 3.285 ( 4.148 14.278 13.468) 20.061 3.502 ( 4.315 9.368 4.077) 11.091 3.722 ( -4.956 6.490 4.088) 9.132 3.777 ( -3.234 3.962 7.411) 9.004 3.853 ( -7.473 6.119 4.417) 10.620 3.944 ( 2.041 1.612 9.022) 9.390 4.098 ( 2.681 0.957 -2.735) 3.948 4.379 ( -2.288 8.765 1.742) 9.224 4.443 ( -4.256 -5.738 9.374) 11.786 4.558 ( -2.910 3.351 4.630) 6.413 4.632 ( 1.847 3.491 7.373) 8.364 4.790 ( -6.799 -2.488 10.976) 13.148 4.937 ( -7.166 -6.532 7.205) 12.080 5.394 ( 0.714 -10.440 -9.000) 13.802 5.419 ( 3.084 -13.566 -10.658) 17.526 5.697 ( -8.286 2.658 -5.597) 10.346 5.791 ( -3.756 3.856 -5.116) 7.427 6.066 ( 5.285 8.122 -7.966) 12.544 6.177 ( 4.819 4.516 -6.297) 9.126 6.371 ( 3.587 -4.656 -7.503) 9.531 6.468 ( 5.145 -0.892 -10.888) 12.076 7.087 ( 1.434 -3.247 -10.733) 11.305 7.164 ( 7.757 -7.175 -10.875) 15.163 7.347 ( -6.862 8.611 3.777) 11.641 7.437 ( 0.678 3.254 2.900) 4.411 7.789 ( 2.718 9.062 -5.396) 10.891 7.929 ( 6.805 10.509 -0.700) 12.539 8.028 ( -0.979 9.625 -8.923) 13.161 8.226 ( 2.710 0.470 -0.696) 2.838 8.324 ( 1.865 4.935 1.603) 5.514 8.405 ( -6.340 7.596 -0.233) 9.897 8.548 ( 1.121 -5.257 -6.172) 8.185 8.807 ( -1.587 3.992 -3.126) 5.313 8.875 ( 8.306 -5.591 -7.628) 12.587 9.129 ( 2.126 -10.156 -8.863) 13.646 9.158 ( -1.441 -5.676 -1.224) 5.982 9.246 ( -0.628 -20.963 -11.362) 23.852 9.477 ( -6.242 5.751 3.614) 9.225 9.654 ( 1.309 -1.857 -5.291) 5.759 9.764 ( -5.076 -0.600 -5.943) 7.839 10.026 ( -12.279 -9.960 -7.160) 17.356 10.477 ( 5.040 -3.289 3.094) 6.767 10.580 ( 7.691 -3.820 3.001) 9.097 10.804 ( 1.511 8.619 -2.183) 9.019 10.950 ( 0.700 5.720 -5.053) 7.664 11.058 ( 2.169 0.761 3.906) 4.532 11.251 ( 2.971 -5.784 -2.535) 6.979 11.593 ( -5.860 -4.425 -5.083) 8.930 11.806 ( -5.423 -8.717 -6.533) 12.169 12.407 ( 1.216 5.201 7.248) 9.004 12.463 ( -2.094 3.479 4.636) 6.163 12.651 ( -2.019 4.706 4.320) 6.700 12.880 ( -8.250 -4.181 0.675) 9.273 13.152 ( 5.429 0.499 -0.889) 5.524 13.245 ( 6.996 -1.854 -0.615) 7.264 13.455 ( -2.012 5.140 -4.466) 7.100 13.566 ( 2.937 -0.455 -7.442) 8.013 13.849 ( 8.640 3.442 9.474) 13.275 14.114 ( 2.246 -5.481 11.687) 13.102 14.483 ( -6.060 10.160 0.098) 11.830 14.690 ( -10.986 -2.912 -0.977) 11.407 15.446 ( 3.578 4.125 3.024) 6.242 15.594 ( 0.713 0.578 -0.910) 1.292 15.989 ( 2.702 -13.259 4.347) 14.212 16.198 ( -1.955 -15.989 -0.415) 16.114 19.510 ( 0.139 17.038 0.899) 17.063 19.558 ( -1.532 16.033 0.954) 16.134 19.804 ( 4.114 10.685 -2.223) 11.663 20.117 ( -4.266 -6.930 -4.568) 9.331 20.555 ( 1.444 9.243 -7.062) 11.721 20.728 ( 5.922 3.912 -7.462) 10.298 21.275 ( -6.873 -5.730 -5.690) 10.604 21.461 ( -1.581 -9.808 -9.766) 13.931 22.312 ( 1.362 1.626 -0.978) 2.336 22.400 ( 3.380 -1.990 -2.759) 4.795 22.645 ( -5.659 1.157 0.812) 5.833 22.699 ( -4.550 -1.396 -0.121) 4.761 23.611 ( 5.093 1.508 9.811) 11.157 23.698 ( 3.326 -1.603 5.205) 6.381 23.914 ( 1.730 -1.569 0.854) 2.487 24.094 ( -1.873 -9.221 -1.510) 9.529 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 10.239 16.312 11.687) 22.528 3.002 ( -4.762 19.403 6.204) 20.920 3.235 ( 9.787 10.695 6.546) 15.907 3.409 ( 3.907 16.006 9.309) 18.924 3.554 ( -9.709 4.851 3.902) 11.534 3.583 ( 0.427 9.822 4.824) 10.951 3.680 ( -1.805 6.244 4.528) 7.921 3.754 ( -4.042 -0.322 5.840) 7.109 3.983 ( 2.392 1.698 7.133) 7.713 4.071 ( -6.331 1.833 -0.524) 6.612 4.340 ( 1.587 -3.803 -0.310) 4.132 4.395 ( -2.867 0.372 2.815) 4.035 4.517 ( 1.367 1.506 11.069) 11.254 4.594 ( -4.843 0.973 10.033) 11.183 4.759 ( 1.195 -6.014 9.989) 11.720 4.806 ( -4.701 -6.138 10.075) 12.699 5.409 ( 2.906 -4.922 -7.703) 9.592 5.489 ( -1.957 -4.634 -10.626) 11.756 5.590 ( 1.898 -6.343 -7.096) 9.705 5.698 ( -6.183 -5.873 -8.250) 11.865 6.181 ( 5.725 12.343 -9.511) 16.601 6.245 ( 0.117 8.506 -9.740) 12.932 6.440 ( 5.325 3.710 -2.366) 6.908 6.520 ( -1.115 0.569 -5.800) 5.933 7.120 ( 2.537 0.181 -6.392) 6.880 7.206 ( -6.728 5.700 0.618) 8.840 7.331 ( 8.335 -7.384 -5.272) 12.321 7.434 ( -2.134 -2.695 1.642) 3.810 7.862 ( 4.536 13.024 -7.872) 15.880 7.940 ( -3.198 15.268 -6.941) 17.074 8.088 ( 4.586 5.697 -6.255) 9.624 8.188 ( -6.465 1.484 -6.440) 9.245 8.330 ( 1.542 7.180 4.865) 8.809 8.354 ( -0.773 7.835 2.178) 8.169 8.701 ( 12.565 -7.813 -4.206) 15.382 8.859 ( 9.130 1.998 -1.329) 9.441 8.921 ( -6.901 -6.014 -1.770) 9.323 9.063 ( -9.082 -0.953 1.105) 9.199 9.162 ( 3.066 -9.672 -8.327) 13.126 9.235 ( -2.697 -18.266 -8.517) 20.334 9.413 ( 2.873 0.474 -5.202) 5.962 9.552 ( -9.484 -0.366 -4.882) 10.673 9.756 ( 3.170 -9.283 -12.015) 15.511 9.845 ( -6.646 -9.680 -10.914) 16.031 10.586 ( 5.780 3.575 6.230) 9.220 10.657 ( -0.435 4.903 6.887) 8.465 10.842 ( 3.288 3.078 -0.451) 4.526 10.917 ( -3.714 3.578 -1.606) 5.402 11.170 ( 9.349 -2.800 -0.795) 9.791 11.328 ( -1.299 -4.317 -2.994) 5.411 11.480 ( 0.583 -7.540 -7.087) 10.364 11.646 ( -10.930 -9.002 -7.100) 15.841 12.430 ( 1.112 5.328 6.975) 8.847 12.445 ( -0.303 6.281 6.338) 8.928 12.647 ( 2.201 -1.919 4.111) 5.042 12.735 ( -6.703 -4.279 2.292) 8.276 13.250 ( 5.738 4.854 -1.393) 7.643 13.360 ( -4.412 6.248 -1.669) 7.829 13.422 ( 7.462 -0.724 -5.590) 9.352 13.551 ( -4.537 -1.291 -7.900) 9.201 14.107 ( 16.791 0.444 5.584) 17.701 14.193 ( 6.334 -2.701 9.263) 11.542 14.338 ( -8.655 3.476 4.331) 10.284 14.427 ( -16.171 -2.194 1.808) 16.419 15.523 ( 4.107 6.888 2.268) 8.334 15.584 ( -2.043 7.413 0.750) 7.726 16.060 ( 4.537 -17.232 2.418) 17.983 16.143 ( -3.881 -17.104 0.741) 17.554 19.516 ( 0.536 16.804 0.990) 16.842 19.532 ( -1.172 16.488 1.020) 16.561 19.900 ( 5.806 6.575 -3.718) 9.527 20.014 ( -6.153 0.458 -5.007) 7.946 20.638 ( 6.672 8.839 -3.237) 11.538 20.757 ( -3.911 8.577 -3.701) 10.127 21.236 ( 3.895 -11.869 -8.399) 15.053 21.365 ( -7.627 -12.545 -10.136) 17.841 22.383 ( 5.944 2.322 -0.752) 6.426 22.480 ( 5.182 -1.996 -2.418) 6.057 22.515 ( -7.491 1.737 -0.054) 7.690 22.592 ( -6.274 -1.740 -1.298) 6.639 23.707 ( 4.234 2.971 6.857) 8.589 23.745 ( 0.599 2.987 4.737) 5.632 23.964 ( 3.684 -7.439 1.204) 8.389 24.040 ( -3.815 -9.256 0.015) 10.011 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 0.000 -10.270 12.891) 16.482 2.848 ( 0.000 10.270 12.891) 16.482 3.484 ( 0.000 -16.001 10.851) 19.334 3.484 ( 0.000 16.001 10.851) 19.334 3.604 ( 0.000 -4.305 6.578) 7.862 3.604 ( 0.000 4.305 6.578) 7.862 3.916 ( 0.000 -10.311 7.403) 12.694 3.916 ( 0.000 10.311 7.403) 12.694 4.086 ( 0.000 -3.467 3.895) 5.215 4.086 ( 0.000 3.467 3.895) 5.215 4.499 ( 0.000 -7.068 0.794) 7.113 4.499 ( 0.000 7.068 0.794) 7.113 4.635 ( 0.000 -3.409 9.569) 10.158 4.635 ( 0.000 3.409 9.569) 10.158 4.926 ( 0.000 -1.603 6.496) 6.691 4.926 ( 0.000 1.603 6.496) 6.691 5.196 ( 0.000 -0.530 -14.232) 14.241 5.196 ( 0.000 0.530 -14.232) 14.241 5.900 ( 0.000 -4.767 -0.523) 4.795 5.900 ( 0.000 4.767 -0.523) 4.795 6.168 ( 0.000 -6.724 -9.926) 11.989 6.168 ( 0.000 6.724 -9.926) 11.989 6.217 ( 0.000 -8.222 -8.750) 12.007 6.217 ( 0.000 8.222 -8.750) 12.007 7.019 ( 0.000 -0.280 -13.615) 13.618 7.019 ( 0.000 0.280 -13.615) 13.618 7.508 ( 0.000 -0.688 -0.002) 0.688 7.508 ( 0.000 0.688 -0.002) 0.688 7.948 ( 0.000 -3.192 -0.796) 3.289 7.948 ( 0.000 3.192 -0.796) 3.289 8.190 ( 0.000 -3.667 -3.698) 5.208 8.190 ( 0.000 3.667 -3.698) 5.208 8.335 ( 0.000 -12.872 -2.579) 13.128 8.335 ( 0.000 12.872 -2.579) 13.128 8.759 ( 0.000 -8.013 -5.104) 9.501 8.759 ( 0.000 8.013 -5.104) 9.501 8.905 ( 0.000 -9.654 -14.625) 17.524 8.905 ( 0.000 9.654 -14.625) 17.524 8.989 ( 0.000 -8.709 -4.668) 9.881 8.989 ( 0.000 8.709 -4.668) 9.881 9.640 ( 0.000 -0.016 0.059) 0.061 9.640 ( 0.000 0.016 0.059) 0.061 9.970 ( 0.000 -10.584 -0.653) 10.604 9.970 ( 0.000 10.584 -0.653) 10.604 10.345 ( 0.000 -1.146 2.365) 2.628 10.345 ( 0.000 1.146 2.365) 2.628 10.934 ( 0.000 -4.017 -5.576) 6.872 10.934 ( 0.000 4.017 -5.576) 6.872 11.154 ( 0.000 -4.042 3.944) 5.647 11.154 ( 0.000 4.042 3.944) 5.647 11.678 ( 0.000 -6.804 -5.583) 8.801 11.678 ( 0.000 6.804 -5.583) 8.801 12.490 ( 0.000 -2.407 5.910) 6.381 12.490 ( 0.000 2.407 5.910) 6.381 12.870 ( 0.000 -8.387 2.214) 8.675 12.870 ( 0.000 8.387 2.214) 8.675 13.079 ( 0.000 -4.063 -0.554) 4.101 13.079 ( 0.000 4.063 -0.554) 4.101 13.504 ( 0.000 -3.521 -4.677) 5.855 13.504 ( 0.000 3.521 -4.677) 5.855 13.941 ( 0.000 -8.769 12.556) 15.315 13.941 ( 0.000 8.769 12.556) 15.315 14.735 ( 0.000 -4.863 -1.756) 5.171 14.735 ( 0.000 4.863 -1.756) 5.171 15.470 ( 0.000 -3.821 1.754) 4.205 15.470 ( 0.000 3.821 1.754) 4.205 15.960 ( 0.000 -7.769 -0.648) 7.796 15.960 ( 0.000 7.769 -0.648) 7.796 19.817 ( 0.000 -3.928 0.576) 3.971 19.817 ( 0.000 3.928 0.576) 3.971 19.869 ( 0.000 -13.994 -0.049) 13.994 19.869 ( 0.000 13.994 -0.049) 13.994 20.678 ( 0.000 -2.541 -9.624) 9.953 20.678 ( 0.000 2.541 -9.624) 9.953 21.344 ( 0.000 -0.905 -10.074) 10.115 21.344 ( 0.000 0.905 -10.074) 10.115 22.329 ( 0.000 -1.327 -1.595) 2.075 22.329 ( 0.000 1.327 -1.595) 2.075 22.722 ( 0.000 -0.942 0.711) 1.180 22.722 ( 0.000 0.942 0.711) 1.180 23.591 ( 0.000 -2.484 9.234) 9.562 23.591 ( 0.000 2.484 9.234) 9.562 23.962 ( 0.000 -5.053 -1.001) 5.151 23.962 ( 0.000 5.053 -1.001) 5.151 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 8.264 -10.520 12.061) 18.013 2.926 ( 8.264 10.520 12.061) 18.013 3.493 ( -0.253 -10.490 9.390) 14.081 3.493 ( -0.253 10.490 9.390) 14.081 3.582 ( -1.343 -3.257 7.338) 8.140 3.582 ( -1.343 3.257 7.338) 8.140 3.929 ( -0.830 -11.341 4.755) 12.326 3.929 ( -0.830 11.341 4.755) 12.326 4.066 ( -0.351 -5.968 4.874) 7.714 4.066 ( -0.351 5.968 4.874) 7.714 4.416 ( -7.869 -9.650 -0.797) 12.478 4.416 ( -7.869 9.650 -0.797) 12.478 4.627 ( -1.130 -5.103 8.763) 10.204 4.627 ( -1.130 5.103 8.763) 10.204 4.818 ( -8.934 -4.707 9.164) 13.636 4.818 ( -8.934 4.707 9.164) 13.636 5.255 ( 5.668 -1.519 -12.668) 13.962 5.255 ( 5.668 1.519 -12.668) 13.962 5.759 ( -10.539 -4.522 -5.965) 12.927 5.759 ( -10.539 4.522 -5.965) 12.927 6.217 ( 7.197 -4.067 -5.607) 9.989 6.217 ( 7.197 4.067 -5.607) 9.989 6.387 ( 9.593 -6.743 -8.264) 14.345 6.387 ( 9.593 6.743 -8.264) 14.345 7.063 ( 4.320 -1.726 -12.095) 12.959 7.063 ( 4.320 1.726 -12.095) 12.959 7.469 ( -4.533 -2.063 2.858) 5.742 7.469 ( -4.533 2.063 2.858) 5.742 7.979 ( 4.054 -7.671 -5.803) 10.438 7.979 ( 4.054 7.671 -5.803) 10.438 8.195 ( 0.028 -6.967 -5.697) 9.000 8.195 ( 0.028 6.967 -5.697) 9.000 8.381 ( 4.465 -4.068 0.119) 6.042 8.381 ( 4.465 4.068 0.119) 6.042 8.715 ( -3.393 -15.590 -5.096) 16.749 8.715 ( -3.393 15.590 -5.096) 16.749 8.905 ( -0.350 -2.970 -10.408) 10.829 8.905 ( -0.350 2.970 -10.408) 10.829 9.039 ( 4.277 -4.443 -4.457) 7.609 9.039 ( 4.277 4.443 -4.457) 7.609 9.608 ( -3.204 -4.067 -1.960) 5.536 9.608 ( -3.204 4.067 -1.960) 5.536 9.821 ( -11.281 -7.480 -4.535) 14.275 9.821 ( -11.281 7.480 -4.535) 14.275 10.485 ( 11.004 -3.808 4.518) 12.490 10.485 ( 11.004 3.808 4.518) 12.490 10.948 ( -0.241 -4.216 -0.902) 4.319 10.948 ( -0.241 4.216 -0.902) 4.319 11.142 ( 0.793 -4.912 -0.338) 4.987 11.142 ( 0.793 4.912 -0.338) 4.987 11.623 ( -6.060 -7.037 -6.122) 11.123 11.623 ( -6.060 7.037 -6.122) 11.123 12.493 ( 0.737 -1.775 6.528) 6.805 12.493 ( 0.737 1.775 6.528) 6.805 12.764 ( -7.795 -6.159 3.150) 10.422 12.764 ( -7.795 6.159 3.150) 10.422 13.188 ( 8.419 -2.816 -1.489) 9.001 13.188 ( 8.419 2.816 -1.489) 9.001 13.529 ( 0.984 -2.684 -6.589) 7.182 13.529 ( 0.984 2.684 -6.589) 7.182 13.974 ( 4.561 -7.362 12.811) 15.464 13.974 ( 4.561 7.362 12.811) 15.464 14.625 ( -10.495 -4.027 0.106) 11.242 14.625 ( -10.495 4.027 0.106) 11.242 15.552 ( 7.467 -5.664 1.196) 9.448 15.552 ( 7.467 5.664 1.196) 9.448 15.931 ( -3.105 -7.872 -0.394) 8.471 15.931 ( -3.105 7.872 -0.394) 8.471 19.819 ( 0.276 -6.687 0.434) 6.707 19.819 ( 0.276 6.687 0.434) 6.707 19.861 ( -0.707 -13.907 -0.089) 13.925 19.861 ( -0.707 13.907 -0.089) 13.925 20.736 ( 5.971 -6.570 -9.180) 12.771 20.736 ( 5.971 6.570 -9.180) 12.771 21.271 ( -7.340 -6.661 -9.325) 13.609 21.271 ( -7.340 6.661 -9.325) 13.609 22.354 ( 2.770 -2.253 -1.734) 3.969 22.354 ( 2.770 2.253 -1.734) 3.969 22.671 ( -5.083 -1.297 0.417) 5.262 22.671 ( -5.083 1.297 0.417) 5.262 23.653 ( 5.968 -2.391 7.705) 10.035 23.653 ( 5.968 2.391 7.705) 10.035 23.946 ( -1.770 -4.598 -0.159) 4.930 23.946 ( -1.770 4.598 -0.159) 4.930 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 13.809 -12.379 10.733) 21.428 3.142 ( 13.809 12.379 10.733) 21.428 3.387 ( -10.619 -14.958 9.742) 20.770 3.387 ( -10.619 14.958 9.742) 20.770 3.636 ( 6.823 -8.878 5.010) 12.267 3.636 ( 6.823 8.878 5.010) 12.267 3.808 ( -10.179 -7.501 1.787) 12.770 3.808 ( -10.179 7.501 1.787) 12.770 4.133 ( 6.087 -10.530 3.160) 12.566 4.133 ( 6.087 10.530 3.160) 12.566 4.259 ( -7.529 -13.013 -0.280) 15.037 4.259 ( -7.529 13.013 -0.280) 15.037 4.612 ( 0.579 -6.810 10.315) 12.373 4.612 ( 0.579 6.810 10.315) 12.373 4.672 ( -5.807 -5.376 11.479) 13.942 4.672 ( -5.807 5.376 11.479) 13.942 5.392 ( 8.601 -4.162 -11.115) 14.657 5.392 ( 8.601 4.162 -11.115) 14.657 5.566 ( -9.793 -5.079 -9.418) 14.505 5.566 ( -9.793 5.079 -9.418) 14.505 6.378 ( 8.291 -1.404 -4.802) 9.684 6.378 ( 8.291 1.404 -4.802) 9.684 6.475 ( -0.844 -2.803 -6.811) 7.414 6.475 ( -0.844 2.803 -6.811) 7.414 7.178 ( 7.915 -5.857 -6.508) 11.802 7.178 ( 7.915 5.857 -6.508) 11.802 7.341 ( -8.544 -6.412 0.640) 10.702 7.341 ( -8.544 6.412 0.640) 10.702 8.084 ( 5.834 -6.916 -8.845) 12.653 8.084 ( 5.834 6.916 -8.845) 12.653 8.170 ( -3.006 -4.972 -8.599) 10.378 8.170 ( -3.006 4.972 -8.599) 10.378 8.497 ( 7.622 -9.442 2.042) 12.306 8.497 ( 7.622 9.442 2.042) 12.306 8.633 ( -5.952 -17.368 -0.962) 18.385 8.633 ( -5.952 17.368 -0.962) 18.385 8.944 ( 5.448 -7.028 -7.731) 11.783 8.944 ( 5.448 7.028 -7.731) 11.783 9.060 ( -3.828 -1.501 -2.598) 4.863 9.060 ( -3.828 1.501 -2.598) 4.863 9.560 ( 0.269 -9.364 -7.354) 11.909 9.560 ( 0.269 9.364 -7.354) 11.909 9.640 ( -7.365 -8.084 -7.270) 13.132 9.640 ( -7.365 8.084 -7.270) 13.132 10.691 ( 10.420 -4.559 6.003) 12.861 10.691 ( 10.420 4.559 6.003) 12.861 10.866 ( -7.754 -4.484 5.745) 10.641 10.866 ( -7.754 4.484 5.745) 10.641 11.251 ( 9.825 -6.922 -6.433) 13.632 11.251 ( 9.825 6.922 -6.433) 13.632 11.457 ( -10.939 -7.430 -6.730) 14.838 11.457 ( -10.939 7.430 -6.730) 14.838 12.533 ( 3.707 -2.317 6.401) 7.752 12.533 ( 3.707 2.317 6.401) 7.752 12.629 ( -6.306 -4.078 4.885) 8.959 12.629 ( -6.306 4.078 4.885) 8.959 13.351 ( 8.486 -4.313 -3.408) 10.111 13.351 ( 8.486 4.313 -3.408) 10.111 13.488 ( -5.428 -4.474 -5.827) 9.134 13.488 ( -5.428 4.474 -5.827) 9.134 14.136 ( 12.022 -2.367 9.021) 15.215 14.136 ( 12.022 2.367 9.021) 15.215 14.388 ( -13.879 -1.788 3.992) 14.552 14.388 ( -13.879 1.788 3.992) 14.552 15.707 ( 8.248 -7.303 0.636) 11.035 15.707 ( 8.248 7.303 0.636) 11.035 15.844 ( -6.106 -7.889 0.146) 9.977 15.844 ( -6.106 7.889 0.146) 9.977 19.829 ( 0.713 -10.252 0.143) 10.277 19.829 ( 0.713 10.252 0.143) 10.277 19.845 ( -0.964 -12.759 -0.066) 12.795 19.845 ( -0.964 12.759 -0.066) 12.795 20.890 ( 10.043 -9.826 -8.413) 16.377 20.890 ( 10.043 9.826 -8.413) 16.377 21.093 ( -10.897 -9.986 -8.344) 16.973 21.093 ( -10.897 9.986 -8.344) 16.973 22.433 ( 5.593 -2.423 -1.548) 6.289 22.433 ( 5.593 2.423 -1.548) 6.289 22.554 ( -6.801 -1.866 -0.593) 7.077 22.554 ( -6.801 1.866 -0.593) 7.077 23.781 ( 6.806 -2.643 4.753) 8.712 23.781 ( 6.806 2.643 4.753) 8.712 23.889 ( -4.441 -3.567 1.957) 6.023 23.889 ( -4.441 3.567 1.957) 6.023 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 0.000 6.037) 6.037 1.962 ( 0.000 0.000 -9.580) 9.580 2.445 ( 0.000 0.000 20.259) 20.259 2.825 ( 0.000 0.000 29.274) 29.274 2.911 ( 0.000 0.000 -3.312) 3.312 3.151 ( 0.000 0.000 0.695) 0.695 3.221 ( 0.000 0.000 -5.993) 5.993 3.641 ( 0.000 0.000 -8.750) 8.750 3.796 ( 0.000 0.000 7.666) 7.666 4.145 ( 0.000 0.000 -8.211) 8.211 4.293 ( 0.000 0.000 4.908) 4.908 4.524 ( 0.000 0.000 -7.409) 7.409 4.695 ( 0.000 0.000 17.006) 17.006 4.783 ( 0.000 0.000 10.142) 10.142 5.005 ( 0.000 0.000 3.531) 3.531 5.213 ( 0.000 0.000 5.683) 5.683 5.402 ( 0.000 0.000 2.375) 2.375 5.501 ( 0.000 0.000 7.418) 7.418 5.587 ( 0.000 0.000 -1.598) 1.598 5.621 ( 0.000 0.000 -2.282) 2.282 6.028 ( 0.000 0.000 -15.127) 15.127 6.090 ( 0.000 0.000 -17.626) 17.626 6.454 ( 0.000 0.000 4.530) 4.530 6.496 ( 0.000 0.000 1.778) 1.778 6.722 ( 0.000 0.000 1.348) 1.348 6.997 ( 0.000 0.000 -9.942) 9.942 7.136 ( 0.000 0.000 2.984) 2.984 7.245 ( 0.000 0.000 -6.069) 6.069 7.899 ( 0.000 0.000 3.760) 3.760 7.940 ( 0.000 0.000 -0.798) 0.798 7.959 ( 0.000 0.000 2.557) 2.557 7.977 ( 0.000 0.000 -2.787) 2.787 8.306 ( 0.000 0.000 11.478) 11.478 8.404 ( 0.000 0.000 6.625) 6.625 8.724 ( 0.000 0.000 1.217) 1.217 8.728 ( 0.000 0.000 -10.648) 10.648 9.101 ( 0.000 0.000 2.249) 2.249 9.103 ( 0.000 0.000 14.080) 14.080 9.292 ( 0.000 0.000 6.113) 6.113 9.539 ( 0.000 0.000 -13.903) 13.903 9.559 ( 0.000 0.000 -1.097) 1.097 9.833 ( 0.000 0.000 0.885) 0.885 9.955 ( 0.000 0.000 -11.064) 11.064 10.285 ( 0.000 0.000 -21.967) 21.967 10.348 ( 0.000 0.000 2.572) 2.572 10.475 ( 0.000 0.000 0.881) 0.881 10.492 ( 0.000 0.000 -1.952) 1.952 10.737 ( 0.000 0.000 -7.649) 7.649 11.098 ( 0.000 0.000 -2.180) 2.180 11.135 ( 0.000 0.000 -5.945) 5.945 11.842 ( 0.000 0.000 -3.366) 3.366 11.924 ( 0.000 0.000 -4.973) 4.973 12.417 ( 0.000 0.000 9.187) 9.187 12.797 ( 0.000 0.000 -9.115) 9.115 12.825 ( 0.000 0.000 0.701) 0.701 12.856 ( 0.000 0.000 0.183) 0.183 12.879 ( 0.000 0.000 5.665) 5.665 13.070 ( 0.000 0.000 -3.456) 3.456 13.155 ( 0.000 0.000 3.192) 3.192 13.211 ( 0.000 0.000 -0.554) 0.554 13.742 ( 0.000 0.000 2.207) 2.207 13.781 ( 0.000 0.000 -3.581) 3.581 14.454 ( 0.000 0.000 10.719) 10.719 14.846 ( 0.000 0.000 -8.301) 8.301 15.389 ( 0.000 0.000 8.686) 8.686 15.722 ( 0.000 0.000 -7.051) 7.051 17.157 ( 0.000 0.000 3.863) 3.863 17.331 ( 0.000 0.000 -4.205) 4.205 18.768 ( 0.000 0.000 0.017) 0.017 18.770 ( 0.000 0.000 -0.093) 0.093 18.813 ( 0.000 0.000 0.419) 0.419 18.823 ( 0.000 0.000 -0.054) 0.054 20.683 ( 0.000 0.000 3.047) 3.047 20.780 ( 0.000 0.000 -0.822) 0.822 21.475 ( 0.000 0.000 2.940) 2.940 21.704 ( 0.000 0.000 -5.265) 5.265 22.281 ( 0.000 0.000 -2.065) 2.065 22.323 ( 0.000 0.000 -3.127) 3.127 22.701 ( 0.000 0.000 1.539) 1.539 22.780 ( 0.000 0.000 -2.042) 2.042 23.819 ( 0.000 0.000 9.776) 9.776 23.878 ( 0.000 0.000 0.888) 0.888 24.003 ( 0.000 0.000 5.049) 5.049 24.439 ( 0.000 0.000 -11.743) 11.743 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 4.068 0.000 4.278) 5.904 1.918 ( -4.507 0.000 -8.352) 9.490 2.499 ( 5.457 0.000 18.264) 19.062 2.881 ( -3.343 0.000 -0.462) 3.374 2.937 ( 10.962 0.000 25.533) 27.787 3.142 ( -0.572 0.000 -0.238) 0.619 3.205 ( -1.591 0.000 -5.512) 5.737 3.586 ( -5.659 0.000 -3.597) 6.706 3.765 ( -2.461 0.000 3.989) 4.687 4.048 ( -9.253 0.000 -8.660) 12.673 4.322 ( 2.910 0.000 3.266) 4.374 4.507 ( -1.772 0.000 -6.527) 6.763 4.760 ( 4.669 0.000 13.005) 13.818 4.858 ( 7.700 0.000 10.820) 13.280 5.020 ( 2.012 0.000 5.771) 6.111 5.189 ( 0.093 0.000 5.225) 5.226 5.394 ( -0.179 0.000 7.457) 7.459 5.566 ( 3.292 0.000 0.876) 3.406 5.607 ( 2.065 0.000 -1.060) 2.321 5.648 ( 2.287 0.000 -2.075) 3.089 6.051 ( 2.914 0.000 -13.782) 14.086 6.126 ( 2.768 0.000 -15.061) 15.313 6.447 ( 0.730 0.000 4.161) 4.225 6.535 ( 3.104 0.000 0.615) 3.164 6.701 ( -2.178 0.000 0.716) 2.293 6.911 ( -8.550 0.000 -8.276) 11.899 6.980 ( -14.097 0.000 3.212) 14.458 7.092 ( -13.882 0.000 -6.879) 15.493 7.881 ( -1.393 0.000 2.935) 3.249 7.916 ( -2.112 0.000 -0.490) 2.168 7.965 ( 0.532 0.000 4.376) 4.408 8.020 ( 2.055 0.000 1.376) 2.473 8.346 ( 5.215 0.000 7.653) 9.261 8.457 ( 5.164 0.000 8.678) 10.098 8.708 ( 1.095 0.000 -10.078) 10.137 8.737 ( -0.107 0.000 8.968) 8.969 9.170 ( 7.495 0.000 2.212) 7.815 9.179 ( -3.617 0.000 2.710) 4.519 9.302 ( 3.104 0.000 -0.143) 3.107 9.437 ( -1.117 0.000 -5.889) 5.994 9.651 ( 5.232 0.000 -4.370) 6.817 9.761 ( -6.787 0.000 -6.876) 9.661 9.997 ( 3.784 0.000 -5.231) 6.456 10.278 ( -1.556 0.000 -17.579) 17.648 10.344 ( 0.898 0.000 -0.152) 0.911 10.452 ( -1.591 0.000 1.295) 2.052 10.488 ( -0.551 0.000 -1.273) 1.387 10.709 ( -4.632 0.000 -11.657) 12.543 11.149 ( 8.722 0.000 1.713) 8.889 11.272 ( 10.720 0.000 -4.363) 11.574 11.793 ( -4.504 0.000 -1.824) 4.860 11.927 ( -1.619 0.000 -6.544) 6.742 12.445 ( 2.941 0.000 6.866) 7.469 12.716 ( -6.293 0.000 2.961) 6.955 12.725 ( -5.383 0.000 -4.483) 7.006 12.836 ( -4.781 0.000 -3.555) 5.958 12.944 ( 4.559 0.000 1.355) 4.756 13.079 ( 0.828 0.000 -3.176) 3.282 13.146 ( -0.841 0.000 3.120) 3.232 13.196 ( -1.485 0.000 -0.037) 1.486 13.820 ( 9.534 0.000 1.740) 9.692 13.902 ( 9.440 0.000 -3.162) 9.955 14.429 ( -2.516 0.000 8.806) 9.159 14.742 ( -10.137 0.000 -6.176) 11.870 15.422 ( 3.195 0.000 7.262) 7.934 15.686 ( -3.649 0.000 -4.908) 6.116 17.164 ( 0.761 0.000 3.271) 3.359 17.301 ( -2.853 0.000 -3.011) 4.147 18.766 ( -0.131 0.000 0.016) 0.132 18.769 ( -0.113 0.000 -0.133) 0.174 18.815 ( 0.227 0.000 0.399) 0.459 18.824 ( 0.036 0.000 0.005) 0.037 20.712 ( 3.528 0.000 4.363) 5.611 20.846 ( 5.354 0.000 -0.566) 5.384 21.433 ( -3.054 0.000 1.465) 3.387 21.683 ( -3.165 0.000 -7.576) 8.210 22.267 ( 0.487 0.000 0.369) 0.611 22.369 ( 3.786 0.000 -4.199) 5.654 22.633 ( -6.707 0.000 1.571) 6.889 22.724 ( -5.586 0.000 -2.694) 6.202 23.838 ( 1.530 0.000 8.710) 8.844 23.856 ( -0.481 0.000 6.353) 6.371 24.099 ( 7.762 0.000 -0.046) 7.762 24.424 ( -1.722 0.000 -10.792) 10.929 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 6.904 0.000 -0.055) 6.904 1.804 ( -7.169 0.000 -4.876) 8.670 2.632 ( 8.166 0.000 13.124) 15.457 2.781 ( -7.083 0.000 6.300) 9.480 3.143 ( 0.787 0.000 -2.501) 2.622 3.170 ( -1.870 0.000 -4.301) 4.690 3.186 ( 14.174 0.000 17.026) 22.154 3.429 ( -11.025 0.000 6.989) 13.054 3.752 ( 2.136 0.000 -3.232) 3.874 3.860 ( -9.023 0.000 -7.633) 11.818 4.390 ( 3.929 0.000 -0.376) 3.947 4.459 ( -3.263 0.000 -4.019) 5.177 4.840 ( 3.789 0.000 8.516) 9.321 4.902 ( -2.594 0.000 6.237) 6.755 5.174 ( 11.416 0.000 12.680) 17.062 5.274 ( 5.365 0.000 8.810) 10.315 5.379 ( 1.021 0.000 3.899) 4.031 5.537 ( -7.490 0.000 -1.138) 7.576 5.654 ( 2.430 0.000 -0.405) 2.463 5.678 ( 0.236 0.000 -1.008) 1.035 6.126 ( 3.886 0.000 -9.641) 10.394 6.161 ( 0.342 0.000 -10.225) 10.231 6.511 ( 6.296 0.000 1.240) 6.417 6.597 ( 2.897 0.000 -1.405) 3.220 6.644 ( -3.602 0.000 0.074) 3.603 6.721 ( -9.775 0.000 -4.036) 10.575 6.754 ( -5.723 0.000 -1.263) 5.861 6.826 ( -11.690 0.000 -6.826) 13.537 7.865 ( -0.094 0.000 1.503) 1.506 7.879 ( -1.524 0.000 0.307) 1.554 7.979 ( 1.084 0.000 6.538) 6.627 8.010 ( -2.051 0.000 6.432) 6.751 8.527 ( 12.634 0.000 1.088) 12.681 8.574 ( 6.712 0.000 12.730) 14.391 8.688 ( -4.866 0.000 15.058) 15.824 8.719 ( -4.289 0.000 -5.882) 7.280 9.075 ( -1.234 0.000 -0.678) 1.408 9.179 ( -9.356 0.000 -6.043) 11.138 9.368 ( 12.386 0.000 -11.920) 17.190 9.593 ( -10.857 0.000 -13.801) 17.560 9.607 ( 9.960 0.000 -0.862) 9.997 9.709 ( -0.544 0.000 -1.382) 1.485 10.088 ( 5.810 0.000 -1.370) 5.970 10.204 ( -5.923 0.000 -5.621) 8.165 10.416 ( 6.789 0.000 -6.983) 9.739 10.447 ( 0.991 0.000 -1.147) 1.516 10.471 ( -1.222 0.000 -1.604) 2.016 10.573 ( -8.856 0.000 -11.663) 14.644 11.365 ( 12.058 0.000 3.857) 12.660 11.474 ( 6.406 0.000 0.254) 6.411 11.697 ( -2.388 0.000 -3.459) 4.204 11.821 ( -9.302 0.000 -6.113) 11.131 12.520 ( 4.841 0.000 2.117) 5.283 12.620 ( -5.602 0.000 -1.829) 5.893 12.659 ( 0.638 0.000 -0.060) 0.641 12.724 ( -5.617 0.000 -3.445) 6.590 13.026 ( 4.000 0.000 -0.084) 4.001 13.082 ( -1.441 0.000 -2.092) 2.541 13.136 ( 0.449 0.000 2.492) 2.532 13.162 ( -1.878 0.000 1.083) 2.168 14.039 ( 10.466 0.000 -0.974) 10.512 14.069 ( 6.711 0.000 -2.138) 7.043 14.379 ( -0.837 0.000 4.456) 4.534 14.510 ( -12.890 0.000 -1.843) 13.021 15.498 ( 4.798 0.000 4.490) 6.571 15.597 ( -5.396 0.000 0.012) 5.396 17.190 ( 2.036 0.000 1.641) 2.615 17.240 ( -3.243 0.000 -0.625) 3.303 18.765 ( 0.004 0.000 -0.044) 0.045 18.766 ( -0.147 0.000 -0.121) 0.190 18.820 ( 0.247 0.000 0.303) 0.391 18.823 ( -0.092 0.000 0.148) 0.175 20.810 ( 6.204 0.000 5.857) 8.531 20.898 ( -1.504 0.000 3.909) 4.188 21.434 ( 4.460 0.000 -5.390) 6.996 21.571 ( -8.144 0.000 -9.281) 12.347 22.330 ( 6.198 0.000 1.857) 6.470 22.461 ( 6.073 0.000 -4.349) 7.469 22.479 ( -8.860 0.000 1.683) 9.018 22.593 ( -7.603 0.000 -3.710) 8.460 23.859 ( 0.942 0.000 7.861) 7.917 23.866 ( 0.471 0.000 9.791) 9.802 24.248 ( 7.508 0.000 -4.785) 8.903 24.365 ( -4.732 0.000 -8.322) 9.573 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 24.751 5.436) 25.341 2.171 ( 0.000 18.066 -7.046) 19.392 2.641 ( 0.000 17.254 17.610) 24.654 2.836 ( 0.000 4.105 23.198) 23.558 3.115 ( 0.000 15.478 0.039) 15.478 3.344 ( 0.000 16.597 0.423) 16.602 3.389 ( 0.000 15.007 -4.186) 15.580 3.656 ( 0.000 1.444 -9.353) 9.464 3.780 ( 0.000 -1.073 7.963) 8.035 4.107 ( 0.000 -3.220 -8.094) 8.711 4.329 ( 0.000 -0.294 12.288) 12.291 4.663 ( 0.000 9.252 -3.630) 9.939 4.689 ( 0.000 3.280 9.999) 10.523 4.795 ( 0.000 4.071 6.427) 7.608 4.923 ( 0.000 -6.525 2.496) 6.986 5.185 ( 0.000 -1.980 4.011) 4.473 5.378 ( 0.000 -1.003 2.702) 2.882 5.445 ( 0.000 -4.774 6.932) 8.417 5.652 ( 0.000 0.349 -0.496) 0.607 5.707 ( 0.000 9.475 -0.984) 9.526 5.907 ( 0.000 -10.468 -14.285) 17.710 5.989 ( 0.000 -6.353 -14.660) 15.977 6.454 ( 0.000 -2.643 5.014) 5.668 6.611 ( 0.000 4.997 -1.913) 5.351 6.853 ( 0.000 11.355 -2.917) 11.723 6.941 ( 0.000 -1.294 -4.818) 4.988 7.157 ( 0.000 1.359 0.055) 1.360 7.282 ( 0.000 4.283 -6.499) 7.784 7.685 ( 0.000 -11.349 4.031) 12.043 7.800 ( 0.000 -7.717 -3.483) 8.466 8.057 ( 0.000 2.613 -1.304) 2.920 8.067 ( 0.000 -3.872 4.003) 5.569 8.206 ( 0.000 -1.231 13.984) 14.038 8.402 ( 0.000 0.397 4.770) 4.787 8.743 ( 0.000 1.030 -0.558) 1.172 8.757 ( 0.000 1.120 -9.965) 10.028 8.802 ( 0.000 -11.657 0.687) 11.677 9.279 ( 0.000 -3.654 1.402) 3.914 9.400 ( 0.000 8.213 10.213) 13.106 9.409 ( 0.000 -7.137 -13.591) 15.351 9.577 ( 0.000 2.592 -3.266) 4.169 9.714 ( 0.000 -7.288 6.193) 9.564 9.873 ( 0.000 -8.669 -8.426) 12.089 10.285 ( 0.000 -0.429 -18.120) 18.126 10.424 ( 0.000 4.869 -0.377) 4.884 10.516 ( 0.000 2.298 0.203) 2.307 10.521 ( 0.000 4.343 0.456) 4.367 10.714 ( 0.000 -2.793 -7.516) 8.018 11.079 ( 0.000 -1.359 -1.274) 1.862 11.144 ( 0.000 0.950 -6.921) 6.986 11.818 ( 0.000 -2.614 -2.694) 3.754 11.906 ( 0.000 -1.347 -4.569) 4.763 12.474 ( 0.000 4.124 7.030) 8.150 12.592 ( 0.000 -9.600 6.592) 11.645 12.637 ( 0.000 -9.082 -1.959) 9.291 12.941 ( 0.000 4.810 -9.135) 10.324 13.031 ( 0.000 3.514 1.853) 3.973 13.130 ( 0.000 2.773 -3.221) 4.250 13.206 ( 0.000 5.466 2.586) 6.047 13.285 ( 0.000 6.325 0.889) 6.387 13.789 ( 0.000 1.110 -0.435) 1.192 13.879 ( 0.000 11.755 0.197) 11.757 14.448 ( 0.000 -0.618 10.840) 10.858 14.829 ( 0.000 -1.571 -7.587) 7.748 15.387 ( 0.000 0.050 7.412) 7.412 15.691 ( 0.000 -2.715 -6.690) 7.220 16.974 ( 0.000 -15.689 2.449) 15.879 17.022 ( 0.000 -24.073 1.179) 24.102 18.912 ( 0.000 11.589 0.197) 11.590 18.923 ( 0.000 10.174 -0.132) 10.174 18.966 ( 0.000 15.808 1.123) 15.848 19.116 ( 0.000 24.875 -6.800) 25.788 20.641 ( 0.000 -3.893 3.180) 5.026 20.748 ( 0.000 -2.999 -1.125) 3.203 21.453 ( 0.000 -2.116 2.059) 2.952 21.659 ( 0.000 -4.345 -5.198) 6.775 22.280 ( 0.000 -0.099 -1.764) 1.766 22.324 ( 0.000 0.056 -3.058) 3.058 22.703 ( 0.000 0.176 1.403) 1.414 22.772 ( 0.000 -0.646 -1.782) 1.895 23.804 ( 0.000 -1.301 9.345) 9.435 23.856 ( 0.000 -1.944 1.315) 2.347 23.984 ( 0.000 -1.710 4.686) 4.988 24.375 ( 0.000 -5.689 -10.130) 11.618 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 3.268 24.169 4.170) 24.743 2.139 ( -3.466 19.169 -6.316) 20.478 2.682 ( 4.420 16.029 16.189) 23.207 2.911 ( 6.079 4.015 16.203) 17.765 3.098 ( -0.752 13.672 6.113) 14.995 3.342 ( -0.327 16.956 0.186) 16.960 3.380 ( -0.726 15.457 -4.045) 15.994 3.603 ( -5.304 1.733 -4.650) 7.264 3.748 ( -2.559 -1.242 4.278) 5.137 4.017 ( -8.539 -2.404 -7.882) 11.866 4.393 ( 5.394 2.468 8.342) 10.235 4.648 ( -2.039 10.973 -4.016) 11.861 4.715 ( 2.939 -0.530 9.468) 9.928 4.847 ( 4.671 -0.844 5.003) 6.897 4.952 ( 3.899 -3.748 5.961) 8.049 5.146 ( -1.726 -2.928 4.848) 5.921 5.357 ( -1.881 -1.991 7.250) 7.750 5.485 ( 0.449 -5.420 1.894) 5.759 5.674 ( 2.556 -1.162 -0.903) 2.949 5.750 ( 3.358 9.673 -1.830) 10.402 5.943 ( 4.393 -9.744 -12.250) 16.257 6.042 ( 5.110 -4.310 -12.314) 14.011 6.377 ( -6.211 -6.366 2.422) 9.218 6.554 ( -7.774 -6.134 -5.200) 11.185 6.825 ( -1.845 11.000 -1.106) 11.208 6.908 ( -2.059 9.958 -4.619) 11.168 7.068 ( -7.099 5.739 2.980) 9.603 7.229 ( -6.253 9.156 -6.779) 12.996 7.719 ( 3.322 -9.690 4.387) 11.144 7.836 ( 3.149 -5.367 -2.451) 6.688 8.025 ( -3.842 -3.528 7.489) 9.126 8.103 ( -2.912 6.866 2.721) 7.939 8.209 ( 6.592 -6.618 6.020) 11.113 8.429 ( 2.548 -2.641 6.577) 7.531 8.652 ( 0.326 -4.431 -9.068) 10.098 8.782 ( 3.074 1.280 3.911) 5.136 9.012 ( 9.719 -7.256 -4.316) 12.873 9.229 ( -3.177 -1.912 2.105) 4.264 9.281 ( -7.401 -0.602 0.026) 7.426 9.510 ( 4.386 3.739 -3.742) 6.872 9.619 ( 3.816 -1.702 -5.350) 6.788 9.717 ( 0.018 -6.902 -0.326) 6.910 9.896 ( 1.716 -7.443 -6.524) 10.045 10.095 ( -12.156 -8.084 -13.007) 19.553 10.475 ( 1.927 4.653 -2.417) 5.586 10.498 ( -1.480 3.982 0.728) 4.310 10.547 ( 1.145 5.146 -1.987) 5.633 10.691 ( -2.940 -1.397 -8.755) 9.341 11.144 ( 8.933 -0.392 1.601) 9.084 11.268 ( 10.284 -0.547 -5.539) 11.694 11.774 ( -4.510 -2.311 -1.591) 5.312 11.900 ( -2.104 -2.362 -5.851) 6.652 12.490 ( 1.323 2.038 4.998) 5.558 12.562 ( -1.872 -4.707 5.155) 7.228 12.617 ( -1.744 -10.156 0.233) 10.307 12.848 ( -6.527 4.635 -5.372) 9.641 13.091 ( 3.131 4.107 -1.426) 5.358 13.133 ( 0.656 2.669 -1.692) 3.228 13.209 ( -0.118 4.923 1.508) 5.150 13.255 ( -2.743 7.476 -1.072) 8.035 13.856 ( 8.365 2.450 2.103) 8.967 13.978 ( 8.008 7.887 -2.151) 11.444 14.425 ( -2.329 -0.469 8.981) 9.290 14.730 ( -9.790 -1.223 -5.631) 11.360 15.419 ( 2.979 -0.105 6.261) 6.935 15.656 ( -3.484 -2.578 -4.503) 6.250 16.976 ( 0.237 -15.985 2.266) 16.147 17.015 ( -0.709 -22.585 1.203) 22.628 18.911 ( 0.103 11.062 0.474) 11.072 18.930 ( 0.285 9.919 0.378) 9.931 18.972 ( 0.818 17.135 0.055) 17.154 19.094 ( -2.118 23.783 -5.783) 24.567 20.673 ( 3.706 -3.613 4.321) 6.742 20.812 ( 5.203 -3.248 -0.879) 6.196 21.407 ( -3.468 -2.559 0.909) 4.404 21.638 ( -3.156 -4.328 -7.486) 9.205 22.270 ( 0.703 0.293 0.381) 0.852 22.368 ( 3.672 -0.182 -3.993) 5.427 22.636 ( -6.639 0.243 1.433) 6.796 22.717 ( -5.529 -0.603 -2.404) 6.059 23.824 ( 1.652 -1.171 8.162) 8.410 23.844 ( 0.011 -1.099 6.253) 6.349 24.067 ( 6.996 -2.795 0.265) 7.538 24.363 ( -1.483 -5.497 -9.308) 10.912 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 5.735 22.751 0.775) 23.476 2.047 ( -5.988 21.033 -3.378) 22.128 2.797 ( 7.207 14.319 11.597) 19.786 2.923 ( -5.079 11.835 5.788) 14.119 3.190 ( 9.533 4.360 12.970) 16.677 3.319 ( -2.955 12.770 0.639) 13.123 3.380 ( 1.429 16.245 -1.305) 16.360 3.470 ( -7.906 5.809 3.591) 10.448 3.733 ( 2.118 -1.481 -3.202) 4.115 3.839 ( -8.729 -1.588 -7.300) 11.490 4.496 ( 5.295 7.401 3.172) 9.637 4.586 ( -4.196 10.288 -1.172) 11.172 4.793 ( 4.543 -4.184 7.016) 9.348 4.865 ( -2.650 -4.195 3.402) 6.016 5.111 ( 11.202 -2.163 9.713) 14.984 5.204 ( 8.032 -6.527 3.875) 11.051 5.284 ( -6.349 -3.284 9.331) 11.754 5.394 ( -9.514 -7.334 2.958) 12.372 5.741 ( 3.697 -1.218 -3.739) 5.397 5.783 ( -0.336 3.722 -4.319) 5.711 6.078 ( 9.047 -2.631 -6.286) 11.327 6.148 ( 4.563 1.119 -7.584) 8.922 6.275 ( -3.999 -11.698 -2.618) 12.637 6.347 ( -11.438 -16.816 -7.535) 21.688 6.820 ( 1.308 14.276 -0.252) 14.338 6.864 ( -2.867 15.196 -2.086) 15.604 6.986 ( 0.164 12.469 0.327) 12.474 7.076 ( -8.297 13.954 -4.500) 16.847 7.795 ( 4.486 -6.304 4.831) 9.121 7.873 ( -1.861 -1.632 1.409) 2.848 7.950 ( -0.216 -4.960 6.262) 7.991 8.012 ( -4.860 2.810 3.228) 6.476 8.380 ( 8.274 -6.846 2.493) 11.025 8.462 ( -0.363 -7.222 4.947) 8.761 8.755 ( 8.157 1.558 0.428) 8.315 8.831 ( 1.149 5.570 7.377) 9.315 9.039 ( -3.041 -4.302 -3.045) 6.086 9.095 ( -9.333 -3.390 -1.155) 9.997 9.340 ( 12.222 -2.811 -7.051) 14.387 9.568 ( -3.136 -3.199 -7.139) 8.429 9.629 ( -5.976 0.030 -7.429) 9.534 9.649 ( -0.984 -5.030 -2.365) 5.645 9.932 ( 4.169 -14.114 -10.546) 18.106 9.993 ( -1.408 -13.491 -9.972) 16.835 10.470 ( -0.502 3.892 0.320) 3.937 10.484 ( -1.210 4.739 1.068) 5.006 10.573 ( 2.283 6.393 -3.898) 7.827 10.627 ( -3.314 3.415 -5.820) 7.518 11.357 ( 11.929 -1.029 2.970) 12.336 11.468 ( 6.807 -1.092 -1.362) 7.027 11.667 ( -3.518 -3.224 -2.730) 5.497 11.789 ( -9.449 -3.213 -5.986) 11.638 12.508 ( 1.304 -3.722 3.148) 5.047 12.545 ( -1.847 -3.677 4.160) 5.852 12.620 ( 3.805 -1.032 -1.821) 4.342 12.725 ( -6.425 3.179 -3.830) 8.127 13.127 ( 1.409 2.948 0.387) 3.290 13.151 ( -0.245 1.674 1.577) 2.313 13.197 ( -0.009 5.836 -0.939) 5.911 13.216 ( -1.282 9.498 -3.110) 10.076 14.061 ( 10.630 2.131 -0.359) 10.848 14.116 ( 4.978 4.336 -2.116) 6.932 14.381 ( -0.666 0.037 4.786) 4.832 14.506 ( -12.398 -0.487 -1.298) 12.475 15.488 ( 4.228 -0.736 4.014) 5.877 15.574 ( -4.815 -1.847 0.165) 5.160 16.984 ( 0.611 -17.160 1.798) 17.265 16.999 ( -0.883 -19.574 1.369) 19.641 18.918 ( 0.495 10.574 0.887) 10.623 18.927 ( -0.441 10.090 1.047) 10.153 19.000 ( 2.130 19.042 -1.952) 19.260 19.047 ( -2.696 21.373 -3.798) 21.875 20.774 ( 6.293 -3.347 5.576) 9.050 20.862 ( -1.466 -3.288 3.454) 4.989 21.398 ( 3.928 -3.480 -5.407) 7.535 21.528 ( -7.917 -4.155 -9.152) 12.795 22.335 ( 6.195 0.474 1.690) 6.438 22.458 ( 5.900 -0.352 -4.088) 7.186 22.483 ( -8.695 0.414 1.528) 8.838 22.588 ( -7.504 -0.468 -3.408) 8.255 23.850 ( 1.098 -0.793 7.539) 7.660 23.857 ( 0.529 -0.723 9.255) 9.298 24.204 ( 6.884 -4.020 -4.061) 8.947 24.311 ( -4.282 -4.930 -7.175) 9.702 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 0.000 30.150 5.086) 30.576 2.593 ( 0.000 19.127 3.353) 19.419 3.035 ( 0.000 15.354 14.360) 21.023 3.078 ( 0.000 22.353 12.700) 25.709 3.473 ( 0.000 17.449 -2.019) 17.565 3.639 ( 0.000 0.962 1.083) 1.448 3.742 ( 0.000 10.298 -1.946) 10.480 3.772 ( 0.000 19.011 -1.419) 19.064 3.807 ( 0.000 6.774 2.151) 7.107 4.028 ( 0.000 -3.913 -6.095) 7.243 4.268 ( 0.000 -0.886 11.803) 11.836 4.685 ( 0.000 -5.385 -1.496) 5.589 4.737 ( 0.000 -5.794 5.731) 8.149 4.814 ( 0.000 3.894 12.006) 12.622 5.148 ( 0.000 -1.512 1.358) 2.032 5.150 ( 0.000 17.629 6.331) 18.731 5.338 ( 0.000 -0.857 -1.173) 1.453 5.443 ( 0.000 6.933 -0.071) 6.933 5.524 ( 0.000 -11.969 -3.074) 12.357 5.628 ( 0.000 -13.395 -12.748) 18.492 5.912 ( 0.000 8.490 -2.020) 8.727 5.943 ( 0.000 1.372 -5.793) 5.953 6.339 ( 0.000 -7.269 1.896) 7.513 6.497 ( 0.000 -12.389 -6.229) 13.867 6.974 ( 0.000 -3.047 -7.520) 8.114 6.988 ( 0.000 -2.462 -6.774) 7.208 7.261 ( 0.000 11.739 5.253) 12.860 7.435 ( 0.000 2.603 -0.863) 2.743 7.588 ( 0.000 10.683 -2.277) 10.922 7.689 ( 0.000 -1.520 -4.957) 5.185 7.853 ( 0.000 -8.337 12.497) 15.023 8.077 ( 0.000 -0.070 -3.074) 3.075 8.296 ( 0.000 4.482 3.414) 5.634 8.437 ( 0.000 2.918 3.465) 4.530 8.609 ( 0.000 -6.744 -3.957) 7.819 8.691 ( 0.000 -8.273 -12.663) 15.126 8.758 ( 0.000 0.645 2.310) 2.398 9.122 ( 0.000 -6.081 -11.647) 13.139 9.288 ( 0.000 -13.508 -1.264) 13.568 9.364 ( 0.000 -3.788 -3.272) 5.005 9.617 ( 0.000 -12.088 -4.701) 12.969 9.644 ( 0.000 -0.109 0.046) 0.118 9.730 ( 0.000 7.651 10.783) 13.221 10.243 ( 0.000 -3.701 -9.968) 10.632 10.483 ( 0.000 0.230 -1.802) 1.817 10.576 ( 0.000 -1.755 -1.028) 2.034 10.626 ( 0.000 -0.043 -3.011) 3.011 10.654 ( 0.000 7.991 -1.653) 8.161 11.070 ( 0.000 1.048 1.091) 1.513 11.179 ( 0.000 2.236 -5.448) 5.889 11.713 ( 0.000 -7.298 -1.387) 7.428 11.854 ( 0.000 -4.580 -6.233) 7.735 12.450 ( 0.000 0.020 4.171) 4.171 12.511 ( 0.000 -1.789 0.023) 1.789 12.629 ( 0.000 6.850 8.999) 11.310 13.020 ( 0.000 1.891 -7.560) 7.793 13.054 ( 0.000 -0.095 2.635) 2.636 13.165 ( 0.000 0.455 -3.636) 3.665 13.324 ( 0.000 4.432 -0.766) 4.498 13.396 ( 0.000 3.249 -2.817) 4.300 13.858 ( 0.000 6.060 8.568) 10.495 14.174 ( 0.000 15.276 -3.183) 15.604 14.422 ( 0.000 -2.059 11.368) 11.553 14.783 ( 0.000 -2.635 -6.112) 6.656 15.401 ( 0.000 1.440 4.357) 4.588 15.620 ( 0.000 -3.766 -5.265) 6.474 16.490 ( 0.000 -24.681 5.222) 25.227 16.582 ( 0.000 -20.266 -0.248) 20.267 19.196 ( 0.000 15.359 1.533) 15.435 19.226 ( 0.000 17.304 0.031) 17.304 19.369 ( 0.000 20.615 0.953) 20.637 19.656 ( 0.000 23.947 -13.938) 27.708 20.528 ( 0.000 -6.495 3.524) 7.390 20.660 ( 0.000 -5.121 -2.070) 5.523 21.385 ( 0.000 -4.450 -0.375) 4.466 21.523 ( 0.000 -8.515 -4.857) 9.803 22.279 ( 0.000 0.075 -1.160) 1.163 22.323 ( 0.000 -0.213 -2.752) 2.761 22.709 ( 0.000 0.393 1.059) 1.129 22.756 ( 0.000 -0.789 -1.149) 1.393 23.771 ( 0.000 -1.698 8.109) 8.285 23.806 ( 0.000 -2.630 2.322) 3.508 23.943 ( 0.000 -1.860 3.747) 4.183 24.225 ( 0.000 -8.024 -6.483) 10.316 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 2.152 29.646 4.682) 30.091 2.603 ( 0.227 22.212 0.601) 22.221 3.047 ( 2.367 14.545 14.773) 20.866 3.119 ( 3.868 18.881 11.409) 22.397 3.431 ( -3.826 16.710 0.401) 17.147 3.627 ( -3.327 0.970 -4.952) 6.044 3.682 ( -3.688 7.406 5.993) 10.216 3.783 ( 0.610 17.070 -1.793) 17.174 3.791 ( -0.881 12.443 -0.062) 12.475 3.973 ( -6.154 -0.771 -7.210) 9.510 4.324 ( 5.979 -4.535 10.202) 12.664 4.692 ( -1.512 -11.736 -2.646) 12.125 4.736 ( 2.204 0.795 7.897) 8.237 4.833 ( 0.857 3.553 11.377) 11.950 5.082 ( -2.422 0.025 6.177) 6.634 5.161 ( -0.405 12.736 5.400) 13.840 5.334 ( -2.570 0.254 -2.915) 3.894 5.425 ( -2.341 1.971 2.230) 3.786 5.534 ( 2.282 -10.959 -3.419) 11.704 5.668 ( 3.050 -11.532 -11.587) 16.630 5.909 ( -0.492 0.115 -4.176) 4.207 5.998 ( 3.933 1.374 -5.290) 6.733 6.298 ( -2.714 -0.615 -3.633) 4.577 6.359 ( -8.673 -7.355 -5.445) 12.608 6.999 ( 2.551 -0.299 -3.871) 4.645 7.086 ( 6.548 0.407 -6.689) 9.369 7.234 ( -3.098 12.334 5.352) 13.797 7.462 ( 0.097 8.005 -3.998) 8.948 7.593 ( 2.002 4.645 2.210) 5.520 7.755 ( 5.596 -1.992 -3.729) 7.014 7.832 ( -1.979 -6.826 11.404) 13.437 8.153 ( 6.355 -1.341 -3.253) 7.264 8.262 ( -5.549 6.395 2.471) 8.820 8.401 ( -2.309 0.687 4.301) 4.929 8.522 ( 1.852 -7.309 -8.323) 11.231 8.738 ( 2.543 -5.409 -7.739) 9.778 8.902 ( 10.440 -2.086 2.773) 11.001 9.158 ( 2.359 -3.491 -3.972) 5.791 9.271 ( -3.782 -5.689 1.858) 7.080 9.396 ( 3.786 -9.934 -8.832) 13.821 9.560 ( -5.523 -8.323 0.947) 10.034 9.614 ( -2.352 -1.738 -4.104) 5.040 9.723 ( -0.905 -4.558 -0.732) 4.705 9.984 ( -19.153 -3.980 -10.601) 22.250 10.556 ( -0.250 0.111 -1.473) 1.498 10.587 ( 3.714 5.093 -2.507) 6.783 10.634 ( 2.721 3.871 1.743) 5.043 10.716 ( 2.567 5.480 -2.862) 6.694 11.134 ( 7.117 -0.545 1.956) 7.401 11.244 ( 6.742 -1.599 -5.043) 8.570 11.670 ( -4.820 -7.523 -1.147) 9.008 11.819 ( -4.312 -5.987 -6.721) 9.980 12.459 ( 0.718 0.711 4.039) 4.163 12.497 ( -0.666 -0.639 2.917) 3.059 12.633 ( 0.701 5.719 6.155) 8.432 12.908 ( -6.991 0.997 -2.956) 7.656 13.137 ( 2.913 0.892 -0.538) 3.094 13.185 ( 3.175 2.310 -3.286) 5.120 13.311 ( -1.927 4.142 0.392) 4.585 13.393 ( -0.068 3.957 -5.286) 6.603 13.934 ( 8.005 5.472 7.325) 12.153 14.201 ( 2.414 12.281 -3.235) 12.928 14.405 ( -1.643 -1.633 9.644) 9.919 14.693 ( -8.905 -2.171 -4.394) 10.165 15.431 ( 2.736 1.550 3.725) 4.875 15.595 ( -2.441 -2.792 -3.232) 4.920 16.507 ( 1.639 -23.974 4.305) 24.413 16.580 ( -0.274 -20.419 0.092) 20.422 19.197 ( 0.107 15.464 1.566) 15.544 19.220 ( -0.587 16.774 0.692) 16.798 19.393 ( 2.472 21.144 -0.568) 21.295 19.618 ( -3.602 23.524 -11.882) 26.599 20.569 ( 4.381 -5.882 4.113) 8.408 20.719 ( 4.994 -5.237 -1.941) 7.492 21.324 ( -4.740 -5.379 -0.489) 7.186 21.503 ( -3.171 -8.483 -7.132) 11.528 22.280 ( 1.305 0.669 0.283) 1.493 22.361 ( 3.421 -0.498 -3.400) 4.848 22.644 ( -6.418 0.539 1.069) 6.529 22.702 ( -5.424 -0.762 -1.684) 5.730 23.795 ( 2.084 -1.431 6.847) 7.299 23.817 ( 1.411 -1.271 5.625) 5.936 23.995 ( 4.797 -3.646 1.056) 6.118 24.217 ( -1.023 -7.844 -5.893) 9.865 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 4.088 28.682 2.732) 29.100 2.573 ( -3.453 26.882 -0.128) 27.103 3.141 ( 6.461 14.680 11.233) 19.581 3.197 ( 2.548 15.138 7.670) 17.160 3.368 ( -0.633 12.963 5.388) 14.053 3.479 ( -9.688 5.197 2.856) 11.359 3.682 ( 2.903 0.058 -1.735) 3.382 3.764 ( -3.220 8.133 -2.412) 9.073 3.800 ( 0.835 19.226 -1.477) 19.301 3.839 ( -5.334 8.915 -5.244) 11.637 4.474 ( 9.108 -9.006 7.128) 14.659 4.626 ( -5.963 -11.501 3.047) 13.309 4.783 ( 1.896 1.271 7.273) 7.623 4.817 ( -1.871 3.807 9.314) 10.234 5.100 ( 4.117 -3.718 4.367) 7.061 5.179 ( 0.387 -2.780 14.656) 14.923 5.253 ( -2.362 7.551 -6.383) 10.166 5.335 ( -6.444 1.878 3.483) 7.562 5.622 ( 5.934 -8.652 -6.064) 12.118 5.698 ( -0.866 -8.695 -8.432) 12.143 5.900 ( 0.673 -6.996 -7.726) 10.445 5.971 ( -6.311 -9.518 -10.632) 15.603 6.280 ( 4.122 7.159 -2.033) 8.507 6.332 ( 0.020 6.387 -5.316) 8.310 7.050 ( 3.437 4.350 0.340) 5.554 7.140 ( -5.423 9.392 5.622) 12.216 7.223 ( 7.668 8.978 -6.905) 13.678 7.379 ( -7.680 12.945 -5.972) 16.193 7.669 ( 4.620 -2.279 5.998) 7.906 7.749 ( -3.951 -5.926 7.855) 10.603 7.903 ( 7.476 0.213 -3.477) 8.248 8.063 ( -9.595 0.252 -3.300) 10.149 8.311 ( 4.734 -0.028 0.675) 4.782 8.361 ( -1.667 -1.332 1.404) 2.554 8.713 ( 15.285 -3.340 -0.496) 15.653 8.867 ( 11.059 -3.671 -3.541) 12.178 8.971 ( -6.474 2.242 6.958) 9.765 9.111 ( -11.951 1.870 4.118) 12.778 9.247 ( 8.979 -6.400 -3.269) 11.501 9.430 ( -5.246 -10.834 -4.402) 12.817 9.475 ( 0.022 -12.064 -4.735) 12.960 9.545 ( -7.093 -7.414 -5.060) 11.440 9.685 ( -1.893 -11.458 -14.938) 18.921 9.716 ( -4.530 -6.229 -13.913) 15.903 10.583 ( 2.824 5.849 1.573) 6.683 10.624 ( -0.332 7.766 0.678) 7.802 10.680 ( 2.340 4.433 -0.462) 5.033 10.721 ( -1.516 6.428 -1.796) 6.844 11.304 ( 9.982 -4.292 1.951) 11.040 11.407 ( 6.936 -4.854 -2.596) 8.855 11.549 ( -4.678 -7.892 -2.055) 9.401 11.679 ( -10.193 -7.293 -6.364) 14.057 12.475 ( 1.184 1.595 4.882) 5.271 12.494 ( -0.433 1.039 5.735) 5.845 12.674 ( 4.074 3.245 0.678) 5.252 12.778 ( -6.556 1.496 -1.785) 6.957 13.172 ( 1.927 2.461 0.993) 3.279 13.215 ( -1.985 4.316 -0.436) 4.771 13.313 ( 3.539 3.483 -2.301) 5.473 13.375 ( -2.230 4.636 -5.378) 7.443 14.129 ( 11.050 4.193 2.062) 11.997 14.238 ( 0.204 6.766 -1.907) 7.032 14.378 ( 0.026 -0.305 5.585) 5.594 14.489 ( -11.159 -1.030 0.037) 11.207 15.487 ( 2.971 1.177 2.593) 4.116 15.542 ( -2.942 -0.554 0.360) 3.015 16.542 ( 1.803 -22.449 2.562) 22.667 16.569 ( -1.015 -21.097 1.063) 21.148 19.200 ( 0.315 15.672 1.615) 15.758 19.209 ( -0.549 16.041 1.424) 16.114 19.455 ( 3.979 22.030 -3.797) 22.706 19.538 ( -4.617 22.797 -7.777) 24.526 20.680 ( 6.733 -5.041 4.633) 9.602 20.772 ( -1.273 -4.830 1.997) 5.379 21.286 ( 2.364 -7.286 -5.299) 9.314 21.396 ( -7.384 -8.398 -8.657) 14.142 22.351 ( 6.191 1.000 1.144) 6.375 22.447 ( 5.649 -0.627 -3.355) 6.600 22.496 ( -8.329 0.841 1.051) 8.437 22.576 ( -7.337 -0.672 -2.629) 7.823 23.833 ( 1.610 -0.663 6.624) 6.849 23.843 ( 0.682 -0.414 7.592) 7.634 24.095 ( 5.263 -5.902 -2.249) 8.221 24.178 ( -3.294 -7.218 -4.427) 9.086 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 0.000 13.146 15.162) 20.068 2.990 ( 0.000 22.181 6.574) 23.135 3.416 ( 0.000 17.502 1.981) 17.614 3.482 ( 0.000 11.174 8.301) 13.920 3.581 ( 0.000 0.225 7.508) 7.511 3.764 ( 0.000 4.130 -3.900) 5.681 3.911 ( 0.000 8.981 -1.690) 9.138 3.940 ( 0.000 2.902 1.907) 3.473 3.985 ( 0.000 6.152 -0.090) 6.152 4.078 ( 0.000 6.122 1.607) 6.329 4.406 ( 0.000 10.036 0.425) 10.045 4.485 ( 0.000 -9.884 -5.067) 11.107 4.729 ( 0.000 3.558 4.966) 6.109 4.815 ( 0.000 -1.787 10.233) 10.388 5.114 ( 0.000 -8.419 6.887) 10.877 5.123 ( 0.000 -1.308 2.746) 3.041 5.222 ( 0.000 -16.742 -4.911) 17.448 5.254 ( 0.000 -11.153 1.301) 11.228 5.715 ( 0.000 21.489 -5.913) 22.288 5.740 ( 0.000 11.343 -1.542) 11.447 5.973 ( 0.000 0.890 -1.296) 1.573 6.014 ( 0.000 0.561 -3.668) 3.711 6.201 ( 0.000 -5.084 -2.507) 5.669 6.212 ( 0.000 -13.610 -5.747) 14.774 6.842 ( 0.000 -6.290 -8.888) 10.888 6.860 ( 0.000 -6.631 -8.590) 10.851 7.446 ( 0.000 2.310 1.141) 2.576 7.470 ( 0.000 5.000 1.432) 5.201 7.772 ( 0.000 8.762 -1.227) 8.848 7.827 ( 0.000 6.088 4.338) 7.475 7.904 ( 0.000 11.126 -5.958) 12.621 8.089 ( 0.000 1.486 -5.775) 5.963 8.342 ( 0.000 0.287 0.259) 0.387 8.457 ( 0.000 -8.095 -7.602) 11.105 8.524 ( 0.000 -1.361 -3.204) 3.481 8.544 ( 0.000 3.385 -2.354) 4.123 8.802 ( 0.000 3.813 2.736) 4.693 8.978 ( 0.000 -14.147 -4.403) 14.816 9.018 ( 0.000 -16.523 -8.377) 18.525 9.055 ( 0.000 -9.107 -6.571) 11.231 9.563 ( 0.000 2.576 -0.387) 2.605 9.640 ( 0.000 -0.503 -2.037) 2.099 9.867 ( 0.000 5.860 8.167) 10.052 10.140 ( 0.000 -6.058 -3.605) 7.050 10.435 ( 0.000 -6.240 -0.413) 6.253 10.441 ( 0.000 -3.591 -0.624) 3.645 10.744 ( 0.000 6.564 -0.620) 6.593 10.810 ( 0.000 5.480 -3.954) 6.757 11.132 ( 0.000 4.674 3.063) 5.589 11.221 ( 0.000 1.384 -1.579) 2.100 11.564 ( 0.000 -5.312 -2.076) 5.704 11.707 ( 0.000 -8.606 -7.716) 11.558 12.527 ( 0.000 5.540 4.972) 7.444 12.551 ( 0.000 3.968 2.576) 4.731 12.776 ( 0.000 6.999 5.888) 9.146 13.011 ( 0.000 -2.600 -2.151) 3.375 13.045 ( 0.000 -0.514 1.580) 1.661 13.131 ( 0.000 -3.624 -3.265) 4.877 13.382 ( 0.000 1.515 -2.651) 3.053 13.424 ( 0.000 -0.172 -5.733) 5.736 14.033 ( 0.000 9.830 14.427) 17.458 14.354 ( 0.000 -4.231 11.633) 12.378 14.478 ( 0.000 12.408 -4.490) 13.196 14.731 ( 0.000 -2.228 -5.177) 5.636 15.446 ( 0.000 2.556 1.386) 2.908 15.543 ( 0.000 -3.378 -2.554) 4.235 16.056 ( 0.000 -15.040 3.977) 15.557 16.180 ( 0.000 -16.953 -2.446) 17.129 19.536 ( 0.000 16.464 1.791) 16.561 19.586 ( 0.000 15.817 -0.070) 15.817 19.748 ( 0.000 13.295 0.767) 13.317 19.996 ( 0.000 4.411 -10.834) 11.697 20.436 ( 0.000 0.933 -0.330) 0.989 20.556 ( 0.000 -3.847 -3.842) 5.437 21.273 ( 0.000 -5.767 -3.418) 6.704 21.323 ( 0.000 -9.593 -4.348) 10.532 22.285 ( 0.000 0.467 -0.880) 0.996 22.314 ( 0.000 -0.648 -2.080) 2.179 22.719 ( 0.000 0.524 0.619) 0.811 22.742 ( 0.000 -0.610 -0.452) 0.759 23.741 ( 0.000 -1.017 6.380) 6.461 23.757 ( 0.000 -1.847 3.478) 3.938 23.921 ( 0.000 0.106 2.374) 2.376 24.065 ( 0.000 -6.720 -2.699) 7.241 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 3.717 16.078 12.970) 20.989 3.032 ( 4.436 21.176 5.971) 22.444 3.378 ( -3.150 15.684 3.789) 16.439 3.504 ( 2.396 11.108 6.837) 13.261 3.585 ( 0.472 0.728 4.200) 4.289 3.726 ( -4.038 6.109 -2.295) 7.674 3.820 ( -8.235 9.050 -1.050) 12.281 3.902 ( -4.073 1.991 -0.222) 4.539 4.010 ( 2.099 4.483 0.515) 4.977 4.106 ( 2.163 7.844 1.191) 8.224 4.357 ( -4.620 0.885 -0.560) 4.737 4.442 ( -3.476 -6.738 -2.765) 8.070 4.756 ( 2.182 2.268 7.224) 7.880 4.839 ( 2.337 -0.950 11.066) 11.350 5.035 ( -4.321 -3.499 9.053) 10.624 5.138 ( -2.234 -5.932 4.826) 7.967 5.228 ( 0.245 -14.337 -3.592) 14.782 5.253 ( 0.991 -12.102 -1.944) 12.298 5.581 ( -10.216 6.270 -4.674) 12.866 5.694 ( -7.323 4.380 -4.446) 9.621 5.946 ( 2.754 8.150 -3.783) 9.398 6.030 ( 2.055 4.628 -7.709) 9.223 6.284 ( 6.532 -1.659 -1.905) 7.003 6.316 ( 6.594 -0.114 -4.589) 8.035 6.904 ( 5.431 -5.397 -6.173) 9.835 6.964 ( 10.629 -8.306 -8.033) 15.700 7.446 ( -4.337 6.613 5.302) 9.521 7.501 ( 3.371 2.566 2.673) 5.010 7.722 ( -0.704 2.893 -0.361) 2.999 7.878 ( -1.363 11.885 -4.866) 12.915 7.904 ( 3.291 7.249 -2.347) 8.300 8.088 ( -2.197 -4.639 -10.082) 11.313 8.358 ( -2.603 2.141 -2.411) 4.144 8.417 ( 7.456 -0.404 -2.841) 7.989 8.436 ( -3.206 2.211 3.590) 5.296 8.655 ( 4.750 -1.047 -6.534) 8.145 8.905 ( 7.372 1.375 4.171) 8.581 8.990 ( 3.529 -12.148 -4.184) 13.324 9.039 ( 0.763 -21.092 -7.042) 22.250 9.124 ( 6.202 -5.286 -4.607) 9.361 9.512 ( -6.542 2.541 0.012) 7.018 9.585 ( -5.958 -0.810 -2.152) 6.386 9.699 ( -13.460 0.489 0.480) 13.478 9.883 ( -18.430 -5.870 -6.652) 20.454 10.539 ( 8.705 -0.201 3.106) 9.244 10.621 ( 10.793 -1.308 0.415) 10.880 10.768 ( 2.340 7.487 -0.499) 7.860 10.859 ( 4.018 5.861 -3.861) 8.087 11.137 ( 0.886 1.429 3.238) 3.648 11.209 ( -0.009 -1.647 -1.694) 2.362 11.510 ( -5.826 -6.056 -2.139) 8.671 11.653 ( -5.758 -9.110 -7.716) 13.255 12.537 ( 0.949 5.347 4.882) 7.303 12.555 ( 0.825 4.566 3.989) 6.119 12.746 ( -2.358 4.806 5.116) 7.404 12.895 ( -6.771 -2.071 0.116) 7.081 13.143 ( 4.726 -0.102 0.197) 4.731 13.194 ( 6.301 -1.603 -3.242) 7.265 13.375 ( -1.730 2.071 -3.213) 4.196 13.426 ( 0.402 -0.153 -5.931) 5.947 14.080 ( 5.199 8.033 12.129) 15.449 14.348 ( -0.393 -3.447 10.089) 10.669 14.449 ( -2.872 9.824 -3.327) 10.762 14.648 ( -8.034 -1.956 -3.390) 8.936 15.486 ( 3.585 3.446 1.396) 5.165 15.564 ( 1.780 0.398 -2.015) 2.718 16.067 ( 1.188 -16.689 3.395) 17.072 16.172 ( -0.915 -17.521 -1.949) 17.652 19.537 ( 0.145 16.375 1.744) 16.468 19.574 ( -1.032 15.894 0.487) 15.934 19.771 ( 2.212 12.448 -0.546) 12.655 19.961 ( -3.262 5.621 -9.271) 11.322 20.488 ( 5.350 0.806 0.492) 5.433 20.623 ( 6.030 -2.905 -4.412) 8.017 21.191 ( -6.734 -6.619 -2.053) 9.663 21.298 ( -3.866 -10.318 -6.506) 12.796 22.298 ( 2.089 1.061 -0.229) 2.355 22.346 ( 3.153 -0.951 -2.436) 4.097 22.657 ( -6.071 0.724 0.557) 6.140 22.687 ( -5.446 -0.690 -0.843) 5.554 23.773 ( 2.977 -0.538 5.370) 6.164 23.794 ( 3.449 -0.975 4.319) 5.612 23.937 ( 1.517 -1.372 1.798) 2.723 24.060 ( -0.736 -6.645 -2.217) 7.044 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 4.938 21.807 8.283) 23.844 3.107 ( 0.535 23.597 4.370) 24.004 3.370 ( 5.278 9.204 6.719) 12.559 3.539 ( -6.525 11.628 4.526) 14.081 3.587 ( 2.465 4.965 -0.668) 5.583 3.651 ( 1.833 2.421 1.526) 3.399 3.676 ( -5.788 9.910 -2.647) 11.778 3.774 ( -8.670 0.867 -2.317) 9.016 4.062 ( 3.473 3.249 3.250) 5.760 4.122 ( -1.734 7.272 3.416) 8.219 4.306 ( 1.166 -8.857 -1.315) 9.030 4.371 ( -4.161 -5.180 -2.043) 6.952 4.801 ( 2.729 0.830 11.874) 12.212 4.852 ( -1.896 0.861 12.491) 12.664 5.002 ( 1.321 -6.095 10.329) 12.066 5.060 ( -4.467 -5.358 9.998) 12.191 5.240 ( 2.219 -7.185 -5.883) 9.548 5.286 ( -0.209 -6.926 -6.794) 9.704 5.449 ( -1.387 -6.328 -6.300) 9.037 5.533 ( -8.019 -7.539 -7.425) 13.277 6.026 ( 4.085 15.547 -5.573) 17.013 6.066 ( 0.209 14.715 -7.279) 16.418 6.387 ( 3.817 1.847 -3.241) 5.337 6.404 ( 2.127 0.107 -5.239) 5.655 7.048 ( 10.252 -1.702 -0.181) 10.394 7.205 ( 10.647 -4.494 -4.372) 12.356 7.288 ( -7.824 1.391 4.339) 9.054 7.466 ( -8.676 -1.664 0.085) 8.834 7.763 ( 3.725 6.976 -1.132) 7.989 7.830 ( -3.183 10.977 -2.909) 11.793 7.955 ( 1.985 3.977 -6.729) 8.064 8.004 ( -4.083 -3.771 -10.146) 11.569 8.378 ( 0.995 5.980 0.143) 6.064 8.391 ( -0.692 3.414 0.199) 3.489 8.665 ( 16.925 -2.115 2.101) 17.186 8.817 ( 12.275 -1.113 -2.562) 12.589 8.960 ( -2.621 -11.111 1.831) 11.562 9.024 ( 3.021 -13.704 -4.469) 14.727 9.081 ( -5.831 -2.118 1.959) 6.506 9.185 ( -4.589 -8.497 3.274) 10.197 9.304 ( -4.057 1.935 -5.326) 6.969 9.458 ( -11.782 -0.863 -3.942) 12.454 9.513 ( 1.423 -5.671 -11.225) 12.657 9.620 ( -8.741 -4.956 -10.523) 14.550 10.694 ( 7.053 5.265 4.265) 9.781 10.764 ( 2.225 4.834 3.795) 6.536 10.810 ( 3.225 8.020 -2.240) 8.930 10.885 ( -2.240 7.749 -1.705) 8.245 11.187 ( 5.436 -5.757 1.930) 8.150 11.279 ( 4.844 -6.778 -2.091) 8.590 11.370 ( -5.504 -7.873 -2.822) 10.012 11.499 ( -10.043 -9.398 -6.881) 15.379 12.560 ( 1.438 5.611 5.526) 8.006 12.575 ( 0.411 5.508 5.769) 7.987 12.722 ( 0.680 0.971 2.926) 3.157 12.781 ( -5.075 -1.385 1.439) 5.453 13.227 ( 4.550 2.605 -0.429) 5.260 13.302 ( -0.431 2.931 -4.057) 5.023 13.335 ( 2.574 -0.416 -2.074) 3.332 13.412 ( -2.566 -0.585 -5.665) 6.247 14.224 ( 9.412 4.597 5.707) 11.928 14.349 ( -0.228 0.753 4.197) 4.270 14.385 ( -2.747 3.190 1.913) 4.624 14.468 ( -9.692 -0.850 1.380) 9.827 15.553 ( 3.044 5.473 1.003) 6.342 15.585 ( -0.112 5.389 -0.465) 5.410 16.101 ( 2.274 -18.971 1.633) 19.177 16.144 ( -2.045 -18.767 -0.488) 18.885 19.542 ( 0.452 16.191 1.573) 16.273 19.555 ( -0.888 16.024 1.187) 16.093 19.824 ( 3.276 10.441 -3.216) 11.406 19.891 ( -3.825 7.999 -6.268) 10.858 20.620 ( 7.742 1.555 1.171) 7.983 20.710 ( 0.492 0.786 -1.725) 1.959 21.096 ( -0.707 -10.513 -4.652) 11.518 21.182 ( -7.425 -11.683 -7.640) 15.811 22.376 ( 6.175 1.390 0.190) 6.333 22.431 ( 5.842 -0.979 -2.328) 6.365 22.517 ( -8.096 1.090 0.346) 8.177 22.560 ( -7.381 -0.841 -1.632) 7.606 23.831 ( 2.634 0.704 4.947) 5.648 23.849 ( 1.276 1.059 5.070) 5.335 23.976 ( 2.774 -4.994 0.092) 5.713 24.031 ( -2.480 -6.399 -1.186) 6.964 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 0.000 -6.688 15.237) 16.640 3.148 ( 0.000 6.688 15.237) 16.640 3.623 ( 0.000 -11.297 3.804) 11.920 3.623 ( 0.000 11.297 3.804) 11.920 3.657 ( 0.000 -3.788 -0.517) 3.823 3.657 ( 0.000 3.788 -0.517) 3.823 4.031 ( 0.000 -6.521 -0.820) 6.572 4.031 ( 0.000 6.521 -0.820) 6.572 4.108 ( 0.000 -5.932 3.091) 6.689 4.108 ( 0.000 5.932 3.091) 6.689 4.425 ( 0.000 -7.110 -4.888) 8.628 4.425 ( 0.000 7.110 -4.888) 8.628 4.848 ( 0.000 -0.046 9.605) 9.606 4.848 ( 0.000 0.046 9.605) 9.606 4.942 ( 0.000 -1.397 -8.708) 8.819 4.942 ( 0.000 1.397 -8.708) 8.819 5.136 ( 0.000 -1.368 9.258) 9.359 5.136 ( 0.000 1.368 9.258) 9.359 5.933 ( 0.000 -6.762 2.653) 7.264 5.933 ( 0.000 6.762 2.653) 7.264 5.998 ( 0.000 -0.822 -6.344) 6.397 5.998 ( 0.000 0.822 -6.344) 6.397 6.071 ( 0.000 -8.957 -5.365) 10.441 6.071 ( 0.000 8.957 -5.365) 10.441 6.777 ( 0.000 -0.596 -9.338) 9.358 6.777 ( 0.000 0.596 -9.338) 9.358 7.502 ( 0.000 -1.245 -0.721) 1.439 7.502 ( 0.000 1.245 -0.721) 1.439 7.932 ( 0.000 -3.303 -0.252) 3.312 7.932 ( 0.000 3.303 -0.252) 3.312 8.058 ( 0.000 -7.327 -6.738) 9.954 8.058 ( 0.000 7.327 -6.738) 9.954 8.330 ( 0.000 -0.425 0.021) 0.425 8.330 ( 0.000 0.425 0.021) 0.425 8.606 ( 0.000 -9.224 -8.276) 12.393 8.606 ( 0.000 9.224 -8.276) 12.393 8.709 ( 0.000 -5.925 -3.672) 6.971 8.709 ( 0.000 5.926 -3.672) 6.971 8.951 ( 0.000 -5.979 -1.122) 6.083 8.951 ( 0.000 5.979 -1.122) 6.083 9.616 ( 0.000 -1.940 -1.917) 2.727 9.616 ( 0.000 1.940 -1.917) 2.727 9.998 ( 0.000 -6.916 2.574) 7.379 9.998 ( 0.000 6.916 2.574) 7.379 10.379 ( 0.000 -0.998 0.984) 1.401 10.379 ( 0.000 0.998 0.984) 1.401 10.845 ( 0.000 -2.180 -2.718) 3.484 10.845 ( 0.000 2.180 -2.718) 3.484 11.218 ( 0.000 -2.196 2.010) 2.977 11.218 ( 0.000 2.196 2.010) 2.977 11.550 ( 0.000 -4.592 -5.829) 7.420 11.550 ( 0.000 4.592 -5.829) 7.420 12.603 ( 0.000 -0.394 4.749) 4.766 12.603 ( 0.000 0.394 4.749) 4.766 12.917 ( 0.000 -6.143 1.802) 6.401 12.917 ( 0.000 6.143 1.802) 6.401 13.056 ( 0.000 -2.281 -0.574) 2.352 13.056 ( 0.000 2.281 -0.574) 2.352 13.407 ( 0.000 -1.101 -4.644) 4.772 13.407 ( 0.000 1.101 -4.644) 4.772 14.227 ( 0.000 -7.934 14.297) 16.351 14.227 ( 0.000 7.934 14.297) 16.351 14.666 ( 0.000 -5.232 -5.299) 7.447 14.666 ( 0.000 5.232 -5.299) 7.447 15.490 ( 0.000 -1.751 0.133) 1.757 15.490 ( 0.000 1.752 0.133) 1.757 15.937 ( 0.000 -4.311 -1.154) 4.462 15.937 ( 0.000 4.311 -1.154) 4.462 19.827 ( 0.000 -3.935 0.495) 3.966 19.827 ( 0.000 3.935 0.495) 3.966 19.859 ( 0.000 -11.508 -0.807) 11.536 19.859 ( 0.000 11.508 -0.807) 11.536 20.513 ( 0.000 -2.164 -6.018) 6.396 20.513 ( 0.000 2.164 -6.018) 6.396 21.197 ( 0.000 -0.621 -4.621) 4.663 21.197 ( 0.000 0.621 -4.621) 4.663 22.298 ( 0.000 -0.764 -1.272) 1.484 22.298 ( 0.000 0.764 -1.272) 1.484 22.730 ( 0.000 -0.526 0.130) 0.542 22.730 ( 0.000 0.526 0.130) 0.542 23.733 ( 0.000 -0.348 4.758) 4.770 23.733 ( 0.000 0.348 4.758) 4.770 23.957 ( 0.000 -3.470 0.310) 3.484 23.957 ( 0.000 3.470 0.310) 3.484 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 5.941 -6.565 14.144) 16.687 3.204 ( 5.941 6.566 14.144) 16.687 3.610 ( -2.221 -2.875 2.505) 4.413 3.610 ( -2.221 2.875 2.505) 4.413 3.642 ( -0.348 -2.639 -0.280) 2.677 3.642 ( -0.348 2.639 -0.280) 2.677 3.981 ( -6.601 -1.478 -1.524) 6.934 3.981 ( -6.601 1.479 -1.524) 6.934 4.112 ( 1.157 -2.813 2.825) 4.151 4.112 ( 1.157 2.813 2.825) 4.151 4.346 ( -6.748 -10.193 -3.808) 12.803 4.346 ( -6.748 10.193 -3.808) 12.803 4.846 ( 0.042 -3.405 10.200) 10.754 4.846 ( 0.042 3.405 10.200) 10.754 4.969 ( 1.108 -3.840 -3.575) 5.362 4.969 ( 1.108 3.840 -3.575) 5.362 5.116 ( -0.126 -0.685 5.832) 5.873 5.116 ( -0.126 0.685 5.832) 5.873 5.650 ( -15.610 -4.126 -4.303) 16.709 5.650 ( -15.610 4.126 -4.303) 16.709 6.135 ( 8.319 -3.357 -2.931) 9.437 6.135 ( 8.319 3.357 -2.931) 9.437 6.259 ( 10.143 -3.955 -4.316) 11.712 6.259 ( 10.143 3.955 -4.316) 11.712 6.850 ( 7.915 -1.359 -7.924) 11.283 6.850 ( 7.915 1.359 -7.924) 11.283 7.536 ( -0.082 -1.246 2.957) 3.210 7.536 ( -0.082 1.246 2.957) 3.210 7.858 ( -3.597 -8.578 -4.538) 10.349 7.858 ( -3.597 8.578 -4.538) 10.349 8.042 ( -1.581 -3.099 -7.834) 8.572 8.042 ( -1.581 3.099 -7.834) 8.572 8.400 ( 6.380 -2.219 0.899) 6.815 8.400 ( 6.380 2.219 0.899) 6.815 8.591 ( -0.070 -12.825 -5.829) 14.087 8.591 ( -0.070 12.825 -5.829) 14.087 8.751 ( 2.300 -5.092 -4.179) 6.977 8.751 ( 2.300 5.092 -4.179) 6.977 9.018 ( 7.151 -5.660 0.276) 9.124 9.018 ( 7.151 5.660 0.276) 9.124 9.564 ( -6.139 -1.677 -2.147) 6.716 9.564 ( -6.139 1.677 -2.147) 6.716 9.756 ( -17.790 -5.192 -1.877) 18.626 9.756 ( -17.790 5.192 -1.877) 18.626 10.568 ( 13.418 -2.739 3.406) 14.111 10.568 ( 13.418 2.739 3.406) 14.111 10.891 ( 4.517 -3.074 -2.894) 6.183 10.891 ( 4.517 3.074 -2.894) 6.183 11.179 ( -3.630 -1.534 2.257) 4.542 11.179 ( -3.630 1.534 2.257) 4.542 11.488 ( -6.484 -4.785 -6.087) 10.098 11.488 ( -6.484 4.785 -6.087) 10.098 12.614 ( 1.257 -0.462 4.958) 5.136 12.614 ( 1.257 0.462 4.958) 5.136 12.831 ( -5.990 -3.602 2.870) 7.556 12.831 ( -5.990 3.602 2.870) 7.556 13.152 ( 7.063 -1.457 -1.235) 7.316 13.152 ( 7.063 1.457 -1.235) 7.316 13.407 ( -0.333 -1.282 -5.280) 5.444 13.407 ( -0.333 1.282 -5.280) 5.444 14.241 ( 1.841 -6.683 12.619) 14.397 14.241 ( 1.841 6.683 12.619) 14.397 14.595 ( -6.772 -4.024 -3.428) 8.591 14.595 ( -6.772 4.024 -3.428) 8.591 15.563 ( 6.885 -2.913 -0.040) 7.476 15.563 ( 6.885 2.913 -0.040) 7.476 15.913 ( -2.619 -4.448 -0.968) 5.252 15.913 ( -2.619 4.448 -0.968) 5.252 19.826 ( -0.038 -5.904 0.336) 5.914 19.826 ( -0.038 5.904 0.336) 5.914 19.852 ( -0.670 -11.367 -0.760) 11.412 19.852 ( -0.670 11.367 -0.760) 11.412 20.579 ( 6.739 -3.918 -5.716) 9.666 20.579 ( 6.739 3.918 -5.716) 9.666 21.132 ( -6.792 -3.309 -4.562) 8.825 21.132 ( -6.792 3.309 -4.562) 8.825 22.322 ( 2.755 -1.211 -1.244) 3.256 22.322 ( 2.755 1.211 -1.244) 3.256 22.673 ( -5.696 -0.712 -0.081) 5.741 22.673 ( -5.696 0.712 -0.081) 5.741 23.775 ( 4.029 -0.685 4.154) 5.828 23.775 ( 4.029 0.685 4.154) 5.828 23.955 ( -0.461 -3.130 0.739) 3.249 23.955 ( -0.461 3.130 0.739) 3.249 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( 10.623 -7.592 10.891) 17.003 3.366 ( 10.623 7.592 10.891) 17.003 3.536 ( -5.986 -9.228 4.222) 11.781 3.536 ( -5.986 9.228 4.222) 11.781 3.662 ( 2.843 -3.985 -1.266) 5.057 3.662 ( 2.843 3.985 -1.266) 5.057 3.791 ( -11.072 -5.609 -1.410) 12.491 3.791 ( -11.072 5.609 -1.410) 12.491 4.156 ( 3.287 -6.425 0.089) 7.217 4.156 ( 3.287 6.425 0.089) 7.217 4.232 ( -4.939 -11.108 -1.973) 12.315 4.232 ( -4.939 11.108 -1.973) 12.315 4.864 ( 2.213 -4.864 11.373) 12.566 4.864 ( 2.213 4.864 11.373) 12.566 4.928 ( -4.085 -5.657 9.688) 11.940 4.928 ( -4.085 5.657 9.688) 11.939 5.203 ( 8.345 -2.961 -5.507) 10.428 5.203 ( 8.345 2.961 -5.507) 10.428 5.394 ( -11.785 -3.784 -6.614) 14.034 5.394 ( -11.785 3.784 -6.614) 14.034 6.288 ( 6.711 -3.504 -3.861) 8.498 6.288 ( 6.711 3.504 -3.861) 8.498 6.355 ( 0.227 -2.529 -4.827) 5.454 6.355 ( 0.227 2.529 -4.827) 5.454 7.073 ( 15.222 -5.005 -3.526) 16.407 7.073 ( 15.222 5.005 -3.526) 16.407 7.373 ( -14.965 -6.042 1.786) 16.238 7.373 ( -14.965 6.042 1.786) 16.238 7.907 ( 5.818 -5.374 -6.975) 10.554 7.907 ( 5.818 5.374 -6.975) 10.554 7.996 ( -3.448 -2.918 -7.305) 8.589 7.996 ( -3.448 2.918 -7.305) 8.589 8.525 ( 5.469 -9.542 0.571) 11.013 8.525 ( 5.469 9.542 0.571) 11.013 8.590 ( -1.430 -14.790 -3.183) 15.196 8.590 ( -1.430 14.790 -3.183) 15.196 8.851 ( 11.339 -2.009 -1.617) 11.628 8.851 ( 11.339 2.009 -1.617) 11.628 9.097 ( -6.456 -1.879 5.352) 8.594 9.097 ( -6.456 1.879 5.352) 8.594 9.400 ( -2.741 -5.236 -8.297) 10.187 9.400 ( -2.741 5.236 -8.297) 10.187 9.509 ( -9.123 -4.878 -5.289) 11.618 9.509 ( -9.123 4.878 -5.289) 11.618 10.797 ( 10.595 -3.078 4.355) 11.861 10.797 ( 10.595 3.078 4.355) 11.861 10.943 ( -2.911 -3.416 1.492) 4.730 10.943 ( -2.911 3.416 1.492) 4.730 11.156 ( 4.803 -3.932 -2.281) 6.613 11.156 ( 4.803 3.932 -2.281) 6.613 11.323 ( -10.265 -5.314 -5.774) 12.921 11.323 ( -10.265 5.314 -5.774) 12.921 12.654 ( 3.092 -1.061 4.985) 5.961 12.654 ( 3.092 1.061 4.985) 5.961 12.729 ( -4.771 -2.054 4.274) 6.727 12.729 ( -4.771 2.054 4.274) 6.727 13.281 ( 6.295 -2.544 -2.769) 7.332 13.281 ( 6.295 2.544 -2.769) 7.332 13.375 ( -3.425 -2.494 -4.802) 6.404 13.375 ( -3.425 2.494 -4.802) 6.404 14.311 ( 5.687 -3.328 7.522) 10.000 14.311 ( 5.687 3.328 7.522) 10.000 14.446 ( -8.240 -1.684 1.271) 8.506 14.446 ( -8.240 1.684 1.271) 8.506 15.709 ( 7.797 -4.136 -0.239) 8.829 15.709 ( 7.797 4.136 -0.239) 8.829 15.836 ( -5.512 -4.558 -0.563) 7.175 15.836 ( -5.512 4.558 -0.563) 7.175 19.828 ( 0.306 -8.398 -0.067) 8.403 19.828 ( 0.306 8.398 -0.067) 8.404 19.838 ( -0.698 -10.278 -0.501) 10.313 19.838 ( -0.698 10.277 -0.501) 10.313 20.749 ( 10.772 -5.337 -5.103) 13.060 20.749 ( 10.772 5.337 -5.103) 13.060 20.959 ( -10.897 -5.158 -4.642) 12.919 20.959 ( -10.897 5.158 -4.642) 12.919 22.406 ( 6.077 -1.365 -1.057) 6.317 22.406 ( 6.077 1.365 -1.057) 6.317 22.540 ( -7.719 -1.063 -0.599) 7.815 22.540 ( -7.719 1.063 -0.599) 7.815 23.861 ( 4.546 -1.452 2.937) 5.604 23.861 ( 4.546 1.452 2.937) 5.604 23.929 ( -2.469 -2.346 1.730) 3.820 23.929 ( -2.469 2.346 1.730) 3.820 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.000 0.000 -12.484) 12.484 1.721 ( 0.000 0.000 12.484) 12.484 2.773 ( 0.000 0.000 -11.741) 11.741 2.773 ( 0.000 0.000 11.741) 11.741 3.157 ( 0.000 0.000 -0.632) 0.632 3.157 ( 0.000 0.000 0.632) 0.632 3.336 ( 0.000 0.000 -20.717) 20.717 3.336 ( 0.000 0.000 20.717) 20.717 3.966 ( 0.000 0.000 -8.824) 8.824 3.966 ( 0.000 0.000 8.824) 8.824 4.392 ( 0.000 0.000 -5.492) 5.492 4.392 ( 0.000 0.000 5.492) 5.492 4.884 ( 0.000 0.000 -2.558) 2.558 4.884 ( 0.000 0.000 2.558) 2.558 5.126 ( 0.000 0.000 -9.157) 9.157 5.126 ( 0.000 0.000 9.158) 9.158 5.534 ( 0.000 0.000 -5.440) 5.440 5.534 ( 0.000 0.000 5.440) 5.440 5.583 ( 0.000 0.000 -1.150) 1.150 5.583 ( 0.000 0.000 1.150) 1.150 5.886 ( 0.000 0.000 -0.871) 0.871 5.886 ( 0.000 0.000 0.871) 0.871 6.514 ( 0.000 0.000 -0.677) 0.677 6.514 ( 0.000 0.000 0.677) 0.677 6.811 ( 0.000 0.000 -7.626) 7.626 6.811 ( 0.000 0.000 7.626) 7.626 7.175 ( 0.000 0.000 -1.495) 1.495 7.175 ( 0.000 0.000 1.495) 1.495 7.934 ( 0.000 0.000 -0.371) 0.371 7.934 ( 0.000 0.000 0.371) 0.371 7.968 ( 0.000 0.000 -0.807) 0.807 7.968 ( 0.000 0.000 0.807) 0.807 8.518 ( 0.000 0.000 -10.107) 10.107 8.518 ( 0.000 0.000 10.107) 10.107 8.567 ( 0.000 0.000 -9.508) 9.508 8.567 ( 0.000 0.000 9.508) 9.508 9.260 ( 0.000 0.000 -12.309) 12.309 9.260 ( 0.000 0.000 12.309) 12.309 9.441 ( 0.000 0.000 -7.926) 7.926 9.441 ( 0.000 0.000 7.926) 7.926 9.592 ( 0.000 0.000 -25.527) 25.527 9.592 ( 0.000 0.000 25.527) 25.527 9.932 ( 0.000 0.000 -9.779) 9.779 9.932 ( 0.000 0.000 9.779) 9.779 10.486 ( 0.000 0.000 -0.169) 0.169 10.486 ( 0.000 0.000 0.169) 0.169 10.523 ( 0.000 0.000 -11.916) 11.916 10.523 ( 0.000 0.000 11.916) 11.916 11.075 ( 0.000 0.000 -0.349) 0.349 11.075 ( 0.000 0.000 0.349) 0.349 11.841 ( 0.000 0.000 -2.664) 2.664 11.841 ( 0.000 0.000 2.664) 2.664 12.607 ( 0.000 0.000 -9.601) 9.601 12.607 ( 0.000 0.000 9.601) 9.601 12.844 ( 0.000 0.000 -1.058) 1.058 12.844 ( 0.000 0.000 1.058) 1.058 12.984 ( 0.000 0.000 -4.805) 4.805 12.984 ( 0.000 0.000 4.805) 4.805 13.198 ( 0.000 0.000 -1.164) 1.164 13.198 ( 0.000 0.000 1.164) 1.164 13.756 ( 0.000 0.000 -0.046) 0.046 13.756 ( 0.000 0.000 0.046) 0.046 14.661 ( 0.000 0.000 -9.828) 9.828 14.661 ( 0.000 0.000 9.828) 9.828 15.563 ( 0.000 0.000 -8.484) 8.484 15.563 ( 0.000 0.000 8.484) 8.484 17.242 ( 0.000 0.000 -4.447) 4.447 17.242 ( 0.000 0.000 4.447) 4.447 18.768 ( 0.000 0.000 -0.043) 0.043 18.768 ( 0.000 0.000 0.043) 0.043 18.820 ( 0.000 0.000 -0.263) 0.263 18.820 ( 0.000 0.000 0.263) 0.263 20.742 ( 0.000 0.000 -2.659) 2.659 20.742 ( 0.000 0.000 2.659) 2.659 21.578 ( 0.000 0.000 -6.543) 6.543 21.578 ( 0.000 0.000 6.543) 6.543 22.275 ( 0.000 0.000 -1.318) 1.318 22.275 ( 0.000 0.000 1.318) 1.318 22.737 ( 0.000 0.000 -2.006) 2.006 22.737 ( 0.000 0.000 2.006) 2.006 23.897 ( 0.000 0.000 -0.146) 0.146 23.897 ( 0.000 0.000 0.146) 0.146 24.195 ( 0.000 0.000 -12.122) 12.122 24.195 ( 0.000 0.000 12.122) 12.122 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -0.506 0.000 -10.146) 10.158 1.715 ( -0.506 0.000 10.146) 10.158 2.790 ( 1.655 0.000 -9.880) 10.017 2.790 ( 1.655 0.000 9.880) 10.017 3.141 ( -1.538 0.000 -0.935) 1.800 3.141 ( -1.538 0.000 0.935) 1.800 3.372 ( 3.345 0.000 -16.723) 17.055 3.372 ( 3.345 0.000 16.723) 17.055 3.883 ( -7.606 0.000 -7.169) 10.452 3.883 ( -7.606 0.000 7.169) 10.452 4.395 ( 0.226 0.000 -4.408) 4.414 4.395 ( 0.226 0.000 4.408) 4.414 4.920 ( 2.646 0.000 -3.657) 4.514 4.920 ( 2.646 0.000 3.657) 4.514 5.160 ( 4.629 0.000 -6.929) 8.333 5.160 ( 4.629 0.000 6.929) 8.333 5.536 ( -0.444 0.000 -5.064) 5.083 5.536 ( -0.444 0.000 5.064) 5.083 5.611 ( 2.622 0.000 -1.318) 2.935 5.611 ( 2.622 0.000 1.318) 2.935 5.937 ( 4.943 0.000 -2.404) 5.497 5.937 ( 4.943 0.000 2.404) 5.497 6.522 ( 0.973 0.000 -2.409) 2.599 6.522 ( 0.973 0.000 2.409) 2.599 6.762 ( -4.775 0.000 -5.673) 7.416 6.762 ( -4.775 0.000 5.673) 7.416 7.022 ( -13.989 0.000 -1.403) 14.059 7.022 ( -13.989 0.000 1.403) 14.059 7.911 ( -1.941 0.000 -0.443) 1.991 7.911 ( -1.941 0.000 0.443) 1.991 8.020 ( 3.864 0.000 -1.267) 4.066 8.020 ( 3.864 0.000 1.267) 4.066 8.520 ( 1.399 0.000 -8.781) 8.892 8.520 ( 1.399 0.000 8.781) 8.892 8.648 ( 7.602 0.000 -9.859) 12.449 8.648 ( 7.602 0.000 9.859) 12.450 9.240 ( -5.359 0.000 -4.557) 7.035 9.240 ( -5.359 0.000 4.557) 7.035 9.488 ( -8.839 0.000 -19.789) 21.674 9.488 ( -8.839 0.000 19.789) 21.674 9.490 ( 7.288 0.000 -9.025) 11.600 9.490 ( 7.288 0.000 9.025) 11.600 10.009 ( 6.059 0.000 -7.291) 9.480 10.009 ( 6.059 0.000 7.291) 9.480 10.472 ( -4.476 0.000 -10.766) 11.659 10.472 ( -4.476 0.000 10.766) 11.659 10.474 ( -1.213 0.000 -0.763) 1.433 10.474 ( -1.213 0.000 0.763) 1.433 11.198 ( 11.495 0.000 -3.012) 11.883 11.198 ( 11.495 0.000 3.012) 11.883 11.818 ( -2.971 0.000 -3.878) 4.885 11.818 ( -2.971 0.000 3.878) 4.885 12.592 ( -1.348 0.000 -7.475) 7.596 12.592 ( -1.348 0.000 7.475) 7.596 12.773 ( -6.102 0.000 -2.809) 6.717 12.773 ( -6.102 0.000 2.809) 6.717 13.006 ( 1.966 0.000 -3.788) 4.268 13.006 ( 1.966 0.000 3.788) 4.268 13.189 ( -0.909 0.000 -1.074) 1.407 13.189 ( -0.909 0.000 1.074) 1.407 13.854 ( 9.165 0.000 -1.923) 9.365 13.854 ( 9.165 0.000 1.923) 9.365 14.598 ( -6.336 0.000 -7.896) 10.123 14.598 ( -6.336 0.000 7.896) 10.123 15.566 ( 0.232 0.000 -6.770) 6.774 15.566 ( 0.232 0.000 6.770) 6.774 17.234 ( -0.787 0.000 -3.542) 3.629 17.234 ( -0.787 0.000 3.542) 3.629 18.767 ( -0.140 0.000 -0.074) 0.158 18.767 ( -0.140 0.000 0.074) 0.158 18.822 ( 0.149 0.000 -0.217) 0.263 18.822 ( 0.149 0.000 0.217) 0.263 20.797 ( 5.450 0.000 -3.814) 6.652 20.797 ( 5.450 0.000 3.814) 6.652 21.528 ( -5.032 0.000 -7.080) 8.687 21.528 ( -5.032 0.000 7.080) 8.687 22.298 ( 2.675 0.000 -2.680) 3.787 22.298 ( 2.675 0.000 2.680) 3.787 22.672 ( -6.401 0.000 -2.313) 6.806 22.672 ( -6.401 0.000 2.313) 6.806 23.926 ( 2.696 0.000 -1.993) 3.353 23.926 ( 2.696 0.000 1.993) 3.353 24.206 ( 0.954 0.000 -10.105) 10.150 24.206 ( 0.954 0.000 10.105) 10.150 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.312 0.000 -3.904) 3.917 1.706 ( -0.312 0.000 3.904) 3.917 2.822 ( 1.215 0.000 -4.138) 4.312 2.822 ( 1.215 0.000 4.138) 4.312 3.112 ( -1.143 0.000 -0.728) 1.355 3.112 ( -1.143 0.000 0.728) 1.355 3.435 ( 2.554 0.000 -6.675) 7.147 3.435 ( 2.554 0.000 6.675) 7.147 3.748 ( -4.993 0.000 -3.011) 5.830 3.748 ( -4.993 0.000 3.011) 5.830 4.398 ( 0.136 0.000 -1.663) 1.669 4.398 ( 0.136 0.000 1.663) 1.669 4.943 ( 0.086 0.000 -1.879) 1.881 4.943 ( 0.086 0.000 1.879) 1.881 5.315 ( 10.171 0.000 -2.923) 10.582 5.315 ( 10.171 0.000 2.923) 10.582 5.486 ( -5.431 0.000 -4.092) 6.800 5.486 ( -5.431 0.000 4.092) 6.800 5.659 ( 1.792 0.000 -0.780) 1.954 5.659 ( 1.792 0.000 0.780) 1.954 6.034 ( 3.982 0.000 -1.231) 4.168 6.034 ( 3.982 0.000 1.231) 4.168 6.553 ( 2.167 0.000 -2.655) 3.427 6.553 ( 2.167 0.000 2.655) 3.427 6.662 ( -4.664 0.000 -1.766) 4.987 6.662 ( -4.664 0.000 1.766) 4.987 6.767 ( -9.635 0.000 -1.250) 9.716 6.767 ( -9.635 0.000 1.250) 9.716 7.881 ( -0.895 0.000 -0.228) 0.923 7.881 ( -0.895 0.000 0.228) 0.923 8.064 ( 0.803 0.000 -1.322) 1.547 8.064 ( 0.803 0.000 1.323) 1.547 8.590 ( 4.520 0.000 -5.419) 7.057 8.590 ( 4.520 0.000 5.419) 7.057 8.795 ( 6.012 0.000 -6.518) 8.867 8.795 ( 6.012 0.000 6.518) 8.867 9.096 ( -6.780 0.000 -2.316) 7.165 9.096 ( -6.780 0.000 2.316) 7.165 9.330 ( -6.180 0.000 -9.645) 11.455 9.330 ( -6.180 0.000 9.645) 11.455 9.643 ( 5.925 0.000 -3.989) 7.143 9.643 ( 5.925 0.000 3.989) 7.143 10.103 ( 3.087 0.000 -3.229) 4.467 10.103 ( 3.087 0.000 3.229) 4.467 10.393 ( -2.955 0.000 -4.879) 5.704 10.393 ( -2.955 0.000 4.879) 5.704 10.449 ( -1.016 0.000 -0.754) 1.265 10.449 ( -1.016 0.000 0.754) 1.265 11.442 ( 12.532 0.000 -3.365) 12.976 11.442 ( 12.532 0.000 3.365) 12.976 11.711 ( -8.089 0.000 -4.160) 9.096 11.711 ( -8.089 0.000 4.160) 9.096 12.569 ( -0.757 0.000 -2.726) 2.829 12.569 ( -0.757 0.000 2.726) 2.829 12.676 ( -3.088 0.000 -1.536) 3.449 12.676 ( -3.088 0.000 1.536) 3.449 13.042 ( 1.418 0.000 -1.558) 2.106 13.042 ( 1.418 0.000 1.558) 2.106 13.169 ( -0.843 0.000 -0.612) 1.042 13.169 ( -0.843 0.000 0.612) 1.042 14.038 ( 8.077 0.000 -0.860) 8.122 14.038 ( 8.077 0.000 0.860) 8.122 14.457 ( -6.786 0.000 -3.291) 7.542 14.457 ( -6.786 0.000 3.291) 7.542 15.570 ( 0.128 0.000 -2.550) 2.553 15.570 ( 0.128 0.000 2.550) 2.553 17.220 ( -0.485 0.000 -1.322) 1.408 17.220 ( -0.485 0.000 1.322) 1.408 18.765 ( -0.079 0.000 -0.040) 0.088 18.765 ( -0.079 0.000 0.040) 0.088 18.824 ( 0.085 0.000 -0.085) 0.120 18.824 ( 0.085 0.000 0.085) 0.120 20.909 ( 4.761 0.000 -3.032) 5.644 20.909 ( 4.761 0.000 3.032) 5.644 21.422 ( -4.599 0.000 -4.374) 6.347 21.422 ( -4.599 0.000 4.374) 6.347 22.383 ( 6.292 0.000 -3.313) 7.111 22.383 ( 6.292 0.000 3.313) 7.111 22.525 ( -8.393 0.000 -2.898) 8.879 22.525 ( -8.393 0.000 2.898) 8.879 23.975 ( 1.795 0.000 -1.449) 2.307 23.975 ( 1.795 0.000 1.449) 2.307 24.220 ( 0.348 0.000 -4.198) 4.213 24.220 ( 0.348 0.000 4.198) 4.213 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.000 22.440 -10.170) 24.637 1.981 ( 0.000 22.440 10.170) 24.637 2.925 ( 0.000 13.452 -9.627) 16.542 2.925 ( 0.000 13.452 9.627) 16.542 3.340 ( 0.000 13.212 -3.203) 13.595 3.340 ( 0.000 13.212 3.203) 13.595 3.374 ( 0.000 6.500 -14.942) 16.295 3.374 ( 0.000 6.500 14.942) 16.295 3.941 ( 0.000 -2.014 -8.083) 8.330 3.941 ( 0.000 -2.014 8.083) 8.330 4.533 ( 0.000 10.469 -8.029) 13.193 4.533 ( 0.000 10.469 8.029) 13.193 4.803 ( 0.000 -5.383 -4.067) 6.747 4.803 ( 0.000 -5.383 4.067) 6.747 5.090 ( 0.000 -1.191 -11.106) 11.169 5.090 ( 0.000 -1.191 11.106) 11.169 5.484 ( 0.000 -4.353 -4.552) 6.299 5.484 ( 0.000 -4.353 4.552) 6.299 5.677 ( 0.000 3.703 -2.937) 4.726 5.677 ( 0.000 3.703 2.937) 4.726 5.794 ( 0.000 -4.817 -3.163) 5.763 5.794 ( 0.000 -4.817 3.163) 5.763 6.558 ( 0.000 -1.446 -4.231) 4.471 6.558 ( 0.000 -1.446 4.231) 4.471 6.845 ( 0.000 5.650 -2.651) 6.241 6.845 ( 0.000 5.650 2.651) 6.241 7.195 ( 0.000 2.995 -2.722) 4.047 7.195 ( 0.000 2.995 2.722) 4.047 7.746 ( 0.000 -10.126 -2.335) 10.392 7.746 ( 0.000 -10.126 2.335) 10.392 8.069 ( 0.000 2.078 -1.619) 2.634 8.069 ( 0.000 2.078 1.619) 2.634 8.443 ( 0.000 -3.141 -5.546) 6.373 8.443 ( 0.000 -3.141 5.546) 6.373 8.620 ( 0.000 0.257 -1.143) 1.171 8.620 ( 0.000 0.257 1.143) 1.171 9.026 ( 0.000 -13.288 -15.330) 20.288 9.026 ( 0.000 -13.288 15.330) 20.288 9.439 ( 0.000 -0.875 -6.131) 6.193 9.439 ( 0.000 -0.875 6.131) 6.193 9.685 ( 0.000 -1.011 -10.926) 10.973 9.685 ( 0.000 -1.011 10.926) 10.973 9.919 ( 0.000 2.457 -15.734) 15.924 9.919 ( 0.000 2.457 15.734) 15.924 10.522 ( 0.000 2.793 -1.619) 3.228 10.522 ( 0.000 2.793 1.619) 3.228 10.531 ( 0.000 0.758 -7.248) 7.288 10.531 ( 0.000 0.758 7.248) 7.288 11.071 ( 0.000 0.092 -0.968) 0.973 11.071 ( 0.000 0.092 0.968) 0.973 11.825 ( 0.000 -1.785 -2.827) 3.344 11.825 ( 0.000 -1.785 2.827) 3.344 12.583 ( 0.000 -5.063 -3.786) 6.322 12.583 ( 0.000 -5.063 3.786) 6.322 12.753 ( 0.000 0.294 -9.108) 9.113 12.753 ( 0.000 0.294 9.108) 9.113 13.073 ( 0.000 3.436 -2.410) 4.197 13.073 ( 0.000 3.436 2.410) 4.197 13.260 ( 0.000 4.540 -2.524) 5.195 13.260 ( 0.000 4.540 2.524) 5.195 13.837 ( 0.000 7.547 -3.540) 8.336 13.837 ( 0.000 7.547 3.540) 8.336 14.655 ( 0.000 -0.661 -9.570) 9.592 14.655 ( 0.000 -0.661 9.570) 9.592 15.542 ( 0.000 -1.742 -7.813) 8.005 15.542 ( 0.000 -1.742 7.813) 8.005 17.016 ( 0.000 -18.893 -1.449) 18.949 17.016 ( 0.000 -18.893 1.449) 18.949 18.917 ( 0.000 11.400 -0.297) 11.404 18.917 ( 0.000 11.400 0.297) 11.404 19.014 ( 0.000 17.964 -3.606) 18.322 19.014 ( 0.000 17.964 3.606) 18.322 20.704 ( 0.000 -3.522 -2.898) 4.561 20.704 ( 0.000 -3.522 2.898) 4.561 21.540 ( 0.000 -3.611 -5.904) 6.921 21.540 ( 0.000 -3.611 5.904) 6.921 22.277 ( 0.000 0.142 -1.340) 1.347 22.277 ( 0.000 0.142 1.340) 1.347 22.735 ( 0.000 -0.168 -1.768) 1.776 22.735 ( 0.000 -0.168 1.768) 1.776 23.879 ( 0.000 -1.584 -0.205) 1.597 23.879 ( 0.000 -1.584 0.205) 1.597 24.159 ( 0.000 -3.217 -10.993) 11.454 24.159 ( 0.000 -3.217 10.993) 11.454 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.255 22.662 -8.324) 24.144 1.979 ( -0.255 22.662 8.324) 24.144 2.936 ( 1.061 12.899 -8.106) 15.271 2.936 ( 1.061 12.899 8.106) 15.271 3.329 ( -1.217 14.810 -2.409) 15.054 3.329 ( -1.217 14.810 2.409) 15.054 3.401 ( 2.673 4.499 -13.080) 14.087 3.401 ( 2.673 4.499 13.080) 14.087 3.862 ( -7.238 -1.649 -6.767) 10.045 3.862 ( -7.238 -1.649 6.767) 10.045 4.542 ( 0.633 11.940 -6.138) 13.440 4.542 ( 0.633 11.940 6.138) 13.440 4.827 ( 2.377 -7.598 -4.026) 8.921 4.827 ( 2.377 -7.598 4.026) 8.921 5.120 ( 3.481 -1.286 -7.918) 8.744 5.120 ( 3.481 -1.286 7.918) 8.744 5.477 ( -1.214 -4.325 -3.807) 5.888 5.477 ( -1.214 -4.325 3.807) 5.888 5.692 ( 1.186 1.105 -3.012) 3.420 5.692 ( 1.186 1.105 3.012) 3.420 5.871 ( 7.661 -2.336 -3.980) 8.944 5.871 ( 7.661 -2.336 3.980) 8.944 6.453 ( -9.814 -9.167 -4.710) 14.231 6.453 ( -9.814 -9.167 4.710) 14.231 6.836 ( -0.568 10.791 -2.254) 11.038 6.836 ( -0.568 10.791 2.254) 11.038 7.135 ( -5.789 7.871 -3.312) 10.317 7.135 ( -5.789 7.871 3.312) 10.317 7.788 ( 3.785 -7.919 -2.586) 9.150 7.788 ( 3.785 -7.919 2.586) 9.150 8.102 ( 0.513 3.676 -1.686) 4.076 8.102 ( 0.513 3.676 1.686) 4.076 8.399 ( -1.279 -7.830 -9.155) 12.114 8.399 ( -1.279 -7.830 9.155) 12.114 8.659 ( 5.464 -2.390 -8.849) 10.672 8.659 ( 5.464 -2.390 8.849) 10.672 9.109 ( 4.407 -7.156 -8.361) 11.855 9.109 ( 4.407 -7.156 8.361) 11.855 9.422 ( -1.132 -2.154 -9.329) 9.641 9.422 ( -1.132 -2.154 9.329) 9.641 9.614 ( -6.050 2.644 -8.613) 10.852 9.614 ( -6.050 2.644 8.613) 10.852 9.902 ( -1.831 -7.678 -6.435) 10.184 9.902 ( -1.831 -7.678 6.435) 10.184 10.475 ( -1.307 2.428 -2.453) 3.690 10.475 ( -1.307 2.428 2.453) 3.690 10.562 ( 0.364 5.072 -3.139) 5.976 10.562 ( 0.364 5.072 3.139) 5.976 11.188 ( 10.973 -0.787 -2.815) 11.355 11.188 ( 10.973 -0.787 2.815) 11.355 11.799 ( -3.281 -2.193 -3.651) 5.377 11.799 ( -3.281 -2.193 3.651) 5.377 12.570 ( -0.905 -4.429 -2.698) 5.264 12.570 ( -0.905 -4.429 2.698) 5.264 12.713 ( -3.750 1.115 -7.156) 8.156 12.713 ( -3.750 1.115 7.156) 8.156 13.095 ( 2.181 4.004 -1.462) 4.788 13.095 ( 2.181 4.004 1.462) 4.788 13.236 ( -2.106 4.447 -1.219) 5.070 13.236 ( -2.106 4.447 1.219) 5.070 13.917 ( 7.685 5.978 -3.586) 10.376 13.917 ( 7.685 5.978 3.586) 10.376 14.595 ( -6.094 -0.453 -7.674) 9.809 14.595 ( -6.094 -0.453 7.674) 9.809 15.546 ( 0.322 -1.631 -6.154) 6.375 15.546 ( 0.322 -1.631 6.154) 6.375 17.013 ( -0.289 -18.471 -1.157) 18.509 17.013 ( -0.289 -18.471 1.157) 18.509 18.923 ( 0.606 11.300 -0.644) 11.334 18.923 ( 0.606 11.299 0.644) 11.334 19.006 ( -0.763 17.953 -3.108) 18.236 19.006 ( -0.763 17.953 3.108) 18.236 20.759 ( 5.369 -3.592 -3.879) 7.535 20.759 ( 5.369 -3.592 3.879) 7.535 21.489 ( -5.072 -3.661 -6.544) 9.052 21.489 ( -5.072 -3.661 6.544) 9.052 22.300 ( 2.667 0.145 -2.552) 3.695 22.300 ( 2.667 0.145 2.552) 3.695 22.671 ( -6.332 -0.103 -2.076) 6.665 22.671 ( -6.332 -0.103 2.076) 6.665 23.909 ( 2.794 -1.490 -1.877) 3.681 23.909 ( 2.794 -1.490 1.877) 3.681 24.169 ( 0.863 -3.310 -9.225) 9.839 24.169 ( 0.863 -3.310 9.225) 9.839 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -0.170 23.008 -3.236) 23.235 1.974 ( -0.170 23.008 3.236) 23.235 2.957 ( 0.869 12.143 -3.335) 12.623 2.957 ( 0.869 12.143 3.335) 12.623 3.305 ( -0.885 15.651 -1.050) 15.711 3.305 ( -0.885 15.651 1.050) 15.711 3.455 ( 2.262 3.181 -5.435) 6.691 3.455 ( 2.262 3.181 5.435) 6.692 3.730 ( -4.990 -1.415 -3.009) 5.996 3.730 ( -4.990 -1.415 3.009) 5.996 4.550 ( 0.220 13.270 -2.185) 13.451 4.550 ( 0.220 13.270 2.185) 13.451 4.865 ( 1.021 -7.853 -1.945) 8.154 4.865 ( 1.021 -7.853 1.945) 8.154 5.230 ( 7.334 -5.494 -2.730) 9.562 5.230 ( 7.334 -5.494 2.730) 9.562 5.419 ( -4.971 -2.441 -2.432) 6.048 5.419 ( -4.971 -2.441 2.432) 6.048 5.708 ( 0.383 -2.323 -1.570) 2.830 5.708 ( 0.383 -2.323 1.570) 2.830 6.041 ( 8.990 1.235 -2.628) 9.447 6.041 ( 8.990 1.235 2.628) 9.447 6.258 ( -9.352 -15.780 -1.335) 18.391 6.258 ( -9.352 -15.780 1.335) 18.391 6.831 ( 0.029 15.062 -1.195) 15.110 6.831 ( 0.029 15.062 1.195) 15.110 7.022 ( -4.525 12.931 -1.970) 13.841 7.022 ( -4.525 12.931 1.970) 13.841 7.861 ( 3.217 -2.618 -1.879) 4.553 7.861 ( 3.217 -2.618 1.879) 4.553 8.042 ( -4.169 -2.085 -1.391) 4.865 8.042 ( -4.169 -2.085 1.391) 4.865 8.438 ( 2.633 -9.294 -4.022) 10.464 8.438 ( 2.633 -9.294 4.022) 10.464 8.840 ( 13.031 -0.633 -6.119) 14.409 8.840 ( 13.031 -0.633 6.119) 14.409 9.073 ( -8.399 0.681 -4.492) 9.549 9.073 ( -8.399 0.681 4.492) 9.549 9.350 ( -5.288 0.189 -10.387) 11.657 9.350 ( -5.288 0.189 10.387) 11.657 9.592 ( 3.195 -4.214 -2.845) 6.005 9.592 ( 3.195 -4.214 2.845) 6.005 9.855 ( -2.502 -17.388 -3.221) 17.860 9.855 ( -2.502 -17.388 3.221) 17.860 10.484 ( 1.573 4.737 -1.354) 5.172 10.484 ( 1.573 4.737 1.355) 5.172 10.548 ( -1.394 7.772 -2.046) 8.157 10.548 ( -1.394 7.772 2.046) 8.157 11.422 ( 12.147 -2.028 -3.134) 12.707 11.422 ( 12.147 -2.028 3.134) 12.707 11.685 ( -8.424 -2.948 -3.822) 9.709 11.685 ( -8.424 -2.948 3.822) 9.709 12.571 ( 1.354 -3.131 -2.816) 4.423 12.571 ( 1.354 -3.131 2.816) 4.423 12.636 ( -3.761 2.344 -4.610) 6.394 12.636 ( -3.761 2.344 4.610) 6.394 13.144 ( 2.720 4.539 -1.480) 5.494 13.144 ( 2.720 4.539 1.480) 5.494 13.193 ( -2.454 4.274 -0.715) 4.979 13.193 ( -2.454 4.274 0.715) 4.979 14.075 ( 7.035 3.565 -1.605) 8.049 14.075 ( 7.035 3.565 1.605) 8.049 14.461 ( -6.355 0.210 -3.137) 7.090 14.461 ( -6.355 0.210 3.137) 7.090 15.551 ( 0.177 -1.466 -2.269) 2.707 15.551 ( 0.177 -1.466 2.269) 2.707 17.008 ( -0.181 -17.793 -0.434) 17.800 17.008 ( -0.181 -17.793 0.434) 17.800 18.936 ( 0.561 10.698 -0.622) 10.731 18.936 ( 0.561 10.698 0.622) 10.731 18.991 ( -0.653 18.381 -1.493) 18.453 18.991 ( -0.653 18.381 1.493) 18.453 20.869 ( 4.689 -3.724 -2.979) 6.688 20.869 ( 4.689 -3.724 2.979) 6.688 21.383 ( -4.597 -3.708 -4.116) 7.198 21.383 ( -4.597 -3.708 4.116) 7.198 22.384 ( 6.240 0.108 -3.104) 6.970 22.384 ( 6.240 0.108 3.104) 6.970 22.525 ( -8.307 0.036 -2.666) 8.724 22.525 ( -8.307 0.036 2.666) 8.724 23.960 ( 1.875 -1.306 -1.413) 2.687 23.960 ( 1.875 -1.306 1.413) 2.687 24.181 ( 0.269 -3.497 -3.906) 5.249 24.181 ( 0.269 -3.497 3.906) 5.249 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 0.000 28.260 -6.084) 28.908 2.537 ( 0.000 28.260 6.084) 28.908 3.258 ( 0.000 15.843 -1.250) 15.892 3.258 ( 0.000 15.843 1.250) 15.892 3.475 ( 0.000 8.103 -8.519) 11.757 3.475 ( 0.000 8.103 8.519) 11.757 3.752 ( 0.000 18.609 -0.491) 18.615 3.752 ( 0.000 18.609 0.491) 18.615 3.909 ( 0.000 -0.182 -6.199) 6.202 3.909 ( 0.000 -0.182 6.199) 6.202 4.517 ( 0.000 -8.311 -11.777) 14.415 4.517 ( 0.000 -8.311 11.777) 14.415 4.862 ( 0.000 3.004 -4.020) 5.018 4.862 ( 0.000 3.004 4.020) 5.018 5.184 ( 0.000 10.554 -0.009) 10.554 5.184 ( 0.000 10.554 0.009) 10.554 5.396 ( 0.000 -0.413 -2.830) 2.860 5.396 ( 0.000 -0.413 2.830) 2.860 5.499 ( 0.000 -13.276 -1.279) 13.337 5.499 ( 0.000 -13.276 1.279) 13.337 5.888 ( 0.000 6.263 -0.237) 6.268 5.888 ( 0.000 6.263 0.237) 6.268 6.403 ( 0.000 -10.857 -3.941) 11.550 6.403 ( 0.000 -10.857 3.941) 11.550 6.906 ( 0.000 -3.890 -0.725) 3.957 6.906 ( 0.000 -3.890 0.725) 3.957 7.370 ( 0.000 11.444 -4.899) 12.448 7.370 ( 0.000 11.444 4.899) 12.448 7.606 ( 0.000 -0.120 -3.084) 3.086 7.606 ( 0.000 -0.120 3.084) 3.086 8.026 ( 0.000 -4.918 -3.783) 6.205 8.026 ( 0.000 -4.918 3.783) 6.205 8.411 ( 0.000 -1.757 -8.941) 9.112 8.411 ( 0.000 -1.757 8.941) 9.112 8.535 ( 0.000 -4.683 -2.054) 5.114 8.535 ( 0.000 -4.683 2.054) 5.114 8.885 ( 0.000 -1.026 -9.735) 9.789 8.885 ( 0.000 -1.026 9.735) 9.789 9.315 ( 0.000 -13.568 -2.728) 13.840 9.315 ( 0.000 -13.568 2.728) 13.840 9.590 ( 0.000 -2.503 -1.920) 3.155 9.590 ( 0.000 -2.503 1.920) 3.155 10.006 ( 0.000 3.218 -13.500) 13.878 10.006 ( 0.000 3.218 13.500) 13.878 10.501 ( 0.000 -2.721 -3.456) 4.398 10.501 ( 0.000 -2.721 3.456) 4.398 10.628 ( 0.000 6.042 -1.201) 6.161 10.628 ( 0.000 6.042 1.201) 6.161 11.102 ( 0.000 2.980 -2.390) 3.820 11.102 ( 0.000 2.980 2.390) 3.820 11.743 ( 0.000 -6.411 -4.045) 7.580 11.743 ( 0.000 -6.411 4.045) 7.580 12.502 ( 0.000 0.056 -1.282) 1.283 12.502 ( 0.000 0.056 1.282) 1.283 12.832 ( 0.000 4.757 -10.377) 11.416 12.832 ( 0.000 4.757 10.377) 11.416 13.109 ( 0.000 0.178 -2.582) 2.588 13.109 ( 0.000 0.178 2.582) 2.588 13.333 ( 0.000 2.126 -2.079) 2.973 13.333 ( 0.000 2.126 2.079) 2.973 14.049 ( 0.000 11.896 -8.745) 14.765 14.049 ( 0.000 11.896 8.745) 14.765 14.630 ( 0.000 -1.704 -9.045) 9.204 14.630 ( 0.000 -1.704 9.045) 9.204 15.505 ( 0.000 -1.526 -5.809) 6.006 15.505 ( 0.000 -1.526 5.809) 6.006 16.561 ( 0.000 -22.796 -2.061) 22.889 16.561 ( 0.000 -22.796 2.061) 22.889 19.220 ( 0.000 16.650 -0.735) 16.667 19.220 ( 0.000 16.650 0.735) 16.667 19.446 ( 0.000 21.117 -7.004) 22.248 19.446 ( 0.000 21.117 7.004) 22.248 20.601 ( 0.000 -6.081 -3.545) 7.039 20.601 ( 0.000 -6.081 3.545) 7.039 21.427 ( 0.000 -7.076 -4.071) 8.163 21.427 ( 0.000 -7.076 4.071) 8.163 22.280 ( 0.000 0.167 -1.245) 1.256 22.280 ( 0.000 0.167 1.245) 1.256 22.732 ( 0.000 -0.111 -1.201) 1.206 22.732 ( 0.000 -0.111 1.201) 1.206 23.838 ( 0.000 -2.179 -0.295) 2.199 23.838 ( 0.000 -2.179 0.295) 2.199 24.075 ( 0.000 -4.357 -8.066) 9.168 24.075 ( 0.000 -4.357 8.066) 9.168 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 0.353 28.729 -5.224) 29.203 2.541 ( 0.353 28.729 5.224) 29.203 3.260 ( 0.412 15.758 -2.490) 15.958 3.260 ( 0.412 15.758 2.490) 15.958 3.469 ( -0.558 6.426 -7.715) 10.056 3.469 ( -0.558 6.426 7.715) 10.056 3.755 ( -0.041 17.666 -0.996) 17.694 3.755 ( -0.041 17.666 0.996) 17.694 3.840 ( -6.096 1.691 -5.636) 8.473 3.840 ( -6.096 1.691 5.636) 8.473 4.548 ( 3.254 -10.137 -10.576) 15.007 4.548 ( 3.254 -10.137 10.576) 15.007 4.861 ( -0.124 5.832 -4.635) 7.451 4.861 ( -0.124 5.832 4.635) 7.451 5.181 ( -0.692 6.403 -3.334) 7.252 5.181 ( -0.692 6.403 3.334) 7.252 5.393 ( 0.296 -0.733 -5.162) 5.222 5.393 ( 0.296 -0.733 5.162) 5.222 5.530 ( 2.331 -11.883 -2.289) 12.324 5.530 ( 2.331 -11.883 2.289) 12.324 5.897 ( -0.757 0.104 -3.272) 3.360 5.897 ( -0.757 0.104 3.272) 3.360 6.287 ( -6.612 -3.740 -1.889) 7.828 6.287 ( -6.612 -3.740 1.889) 7.828 6.987 ( 5.967 -0.944 -2.444) 6.517 6.987 ( 5.967 -0.944 2.444) 6.517 7.356 ( -2.294 12.730 -5.893) 14.214 7.356 ( -2.294 12.730 5.893) 14.214 7.670 ( 5.900 -0.910 -4.362) 7.394 7.670 ( 5.900 -0.910 4.362) 7.394 8.050 ( -0.370 -8.372 -8.389) 11.858 8.050 ( -0.370 -8.372 8.389) 11.858 8.321 ( -4.251 0.779 -4.954) 6.574 8.321 ( -4.251 0.779 4.954) 6.574 8.567 ( 5.299 -3.664 -7.181) 9.648 8.567 ( 5.299 -3.664 7.181) 9.648 9.024 ( 10.632 -1.747 -7.728) 13.259 9.024 ( 10.632 -1.747 7.728) 13.259 9.308 ( -0.979 -11.897 -1.996) 12.103 9.308 ( -0.979 -11.897 1.996) 12.103 9.555 ( -3.524 -3.881 -1.454) 5.440 9.555 ( -3.524 -3.881 1.454) 5.440 9.808 ( -17.283 -1.925 -7.064) 18.770 9.808 ( -17.283 -1.925 7.064) 18.770 10.547 ( 3.421 3.559 -0.957) 5.028 10.547 ( 3.421 3.559 0.957) 5.028 10.670 ( 2.843 5.491 -1.837) 6.450 10.670 ( 2.843 5.491 1.837) 6.450 11.174 ( 7.432 -0.312 -2.287) 7.782 11.174 ( 7.432 -0.312 2.287) 7.782 11.703 ( -4.504 -7.139 -4.180) 9.419 11.703 ( -4.504 -7.139 4.180) 9.419 12.511 ( 1.174 0.871 -1.188) 1.884 12.511 ( 1.174 0.871 1.188) 1.884 12.789 ( -3.853 4.103 -8.034) 9.810 12.789 ( -3.853 4.103 8.034) 9.810 13.145 ( 3.082 1.246 -1.176) 3.526 13.145 ( 3.082 1.246 1.176) 3.526 13.323 ( -0.967 2.785 -1.605) 3.357 13.323 ( -0.967 2.785 1.605) 3.357 14.090 ( 4.137 9.943 -7.321) 13.022 14.090 ( 4.137 9.943 7.321) 13.022 14.576 ( -5.335 -1.271 -7.200) 9.051 14.576 ( -5.335 -1.271 7.200) 9.051 15.514 ( 0.837 -0.979 -4.382) 4.567 15.514 ( 0.837 -0.979 4.382) 4.567 16.566 ( 0.464 -22.538 -1.660) 22.604 16.566 ( 0.464 -22.538 1.660) 22.604 19.222 ( 0.175 16.432 -0.690) 16.447 19.222 ( 0.175 16.432 0.690) 16.447 19.440 ( -0.493 21.258 -5.637) 21.998 19.440 ( -0.493 21.258 5.637) 21.998 20.654 ( 5.285 -6.051 -4.101) 9.021 20.654 ( 5.285 -6.051 4.101) 9.021 21.375 ( -5.228 -7.207 -5.027) 10.225 21.375 ( -5.228 -7.207 5.027) 10.225 22.304 ( 2.688 0.201 -2.105) 3.420 22.304 ( 2.688 0.201 2.105) 3.420 22.669 ( -6.158 -0.011 -1.485) 6.335 22.669 ( -6.158 -0.011 1.485) 6.335 23.870 ( 3.048 -2.041 -1.516) 3.969 23.870 ( 3.048 -2.041 1.516) 3.969 24.083 ( 0.572 -4.537 -6.917) 8.292 24.083 ( 0.572 -4.537 6.917) 8.292 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 0.220 29.562 -2.194) 29.644 2.548 ( 0.220 29.562 2.194) 29.644 3.275 ( 0.890 16.617 -1.420) 16.701 3.275 ( 0.890 16.617 1.420) 16.701 3.461 ( -0.161 3.428 -4.082) 5.333 3.461 ( -0.161 3.428 4.082) 5.333 3.697 ( -4.411 -0.415 -2.838) 5.261 3.697 ( -4.411 -0.415 2.838) 5.261 3.784 ( -0.014 20.571 -0.635) 20.581 3.784 ( -0.014 20.571 0.635) 20.581 4.616 ( 2.820 -13.544 -5.173) 14.770 4.616 ( 2.820 -13.544 5.173) 14.770 4.856 ( -0.282 10.662 -2.764) 11.018 4.856 ( -0.282 10.662 2.764) 11.018 5.159 ( -1.122 -2.009 -3.660) 4.324 5.159 ( -1.122 -2.009 3.660) 4.324 5.406 ( 0.602 0.181 -5.050) 5.089 5.406 ( 0.602 0.181 5.050) 5.089 5.562 ( 0.780 -9.604 -3.372) 10.208 5.562 ( 0.780 -9.604 3.372) 10.208 5.832 ( -3.675 -9.215 -1.995) 10.120 5.832 ( -3.675 -9.215 1.995) 10.120 6.260 ( 1.483 6.412 -1.019) 6.659 6.260 ( 1.483 6.412 1.019) 6.659 7.108 ( 7.280 6.869 -4.635) 11.030 7.108 ( 7.280 6.869 4.635) 11.030 7.264 ( -7.138 11.103 -5.933) 14.472 7.264 ( -7.138 11.103 5.933) 14.472 7.784 ( 5.537 -2.776 -4.835) 7.858 7.784 ( 5.537 -2.776 4.836) 7.858 7.947 ( -7.178 -6.881 -7.515) 12.464 7.947 ( -7.178 -6.881 7.515) 12.464 8.331 ( 1.711 -0.264 -1.947) 2.606 8.331 ( 1.711 -0.264 1.947) 2.606 8.781 ( 16.410 -2.691 -4.683) 17.276 8.781 ( 16.410 -2.691 4.683) 17.276 9.127 ( -6.510 2.799 -5.240) 8.813 9.127 ( -6.510 2.799 5.240) 8.813 9.281 ( 1.049 -8.192 -8.140) 11.596 9.281 ( 1.049 -8.192 8.140) 11.596 9.473 ( -4.230 -11.660 -3.525) 12.895 9.473 ( -4.230 -11.660 3.525) 12.895 9.522 ( -8.188 -6.738 -4.532) 11.532 9.522 ( -8.188 -6.738 4.532) 11.532 10.609 ( 2.653 6.986 -1.159) 7.563 10.609 ( 2.653 6.986 1.159) 7.563 10.693 ( -0.257 6.385 -1.167) 6.496 10.693 ( -0.257 6.385 1.167) 6.496 11.352 ( 10.287 -4.672 -2.692) 11.615 11.352 ( 10.287 -4.672 2.692) 11.615 11.572 ( -8.782 -7.695 -3.782) 12.273 11.572 ( -8.782 -7.695 3.782) 12.273 12.546 ( 1.946 1.876 -1.316) 3.006 12.546 ( 1.946 1.876 1.316) 3.006 12.716 ( -3.091 3.730 -3.689) 6.089 12.716 ( -3.092 3.730 3.689) 6.089 13.197 ( 1.857 2.403 -1.252) 3.285 13.197 ( 1.857 2.403 1.252) 3.285 13.304 ( -0.739 3.643 -1.538) 4.023 13.304 ( -0.739 3.643 1.538) 4.023 14.183 ( 4.510 6.487 -3.044) 8.467 14.183 ( 4.510 6.487 3.044) 8.467 14.462 ( -5.263 -0.053 -2.765) 5.946 14.462 ( -5.263 -0.053 2.765) 5.946 15.528 ( 0.477 -0.143 -1.502) 1.583 15.528 ( 0.477 -0.143 1.502) 1.583 16.574 ( 0.280 -22.119 -0.630) 22.130 16.574 ( 0.280 -22.119 0.630) 22.130 19.225 ( 0.113 16.059 -0.321) 16.063 19.225 ( 0.113 16.059 0.321) 16.063 19.432 ( -0.298 21.514 -2.142) 21.623 19.432 ( -0.298 21.514 2.142) 21.623 20.763 ( 4.678 -5.893 -2.895) 8.062 20.763 ( 4.678 -5.893 2.895) 8.062 21.265 ( -4.724 -7.518 -3.429) 9.518 21.265 ( -4.724 -7.519 3.429) 9.518 22.387 ( 6.155 0.220 -2.465) 6.634 22.387 ( 6.155 0.220 2.465) 6.634 22.528 ( -8.113 0.170 -2.029) 8.365 22.528 ( -8.113 0.170 2.029) 8.365 23.927 ( 2.150 -1.676 -1.315) 3.027 23.927 ( 2.150 -1.676 1.315) 3.027 24.088 ( -0.031 -4.971 -3.163) 5.892 24.088 ( -0.031 -4.971 3.163) 5.892 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 0.000 21.741 -0.627) 21.750 3.080 ( 0.000 21.741 0.627) 21.750 3.505 ( 0.000 8.379 -6.333) 10.504 3.505 ( 0.000 8.379 6.333) 10.504 3.671 ( 0.000 6.204 -3.916) 7.337 3.671 ( 0.000 6.205 3.916) 7.337 3.970 ( 0.000 9.314 -1.668) 9.462 3.970 ( 0.000 9.314 1.668) 9.462 3.993 ( 0.000 0.674 -8.555) 8.581 3.993 ( 0.000 0.674 8.554) 8.581 4.424 ( 0.000 0.291 -0.930) 0.974 4.424 ( 0.000 0.291 0.930) 0.974 4.823 ( 0.000 -3.289 -5.408) 6.330 4.823 ( 0.000 -3.289 5.408) 6.330 5.157 ( 0.000 -11.540 -1.744) 11.671 5.157 ( 0.000 -11.540 1.744) 11.671 5.261 ( 0.000 -3.798 -3.303) 5.033 5.261 ( 0.000 -3.798 3.303) 5.033 5.694 ( 0.000 18.394 -2.656) 18.585 5.694 ( 0.000 18.394 2.656) 18.585 5.956 ( 0.000 -0.196 -1.272) 1.287 5.956 ( 0.000 -0.196 1.272) 1.287 6.177 ( 0.000 -9.522 -0.346) 9.528 6.177 ( 0.000 -9.522 0.346) 9.528 6.759 ( 0.000 -7.167 -0.866) 7.219 6.759 ( 0.000 -7.167 0.866) 7.219 7.470 ( 0.000 1.373 -1.043) 1.724 7.470 ( 0.000 1.373 1.043) 1.724 7.796 ( 0.000 11.771 -3.407) 12.254 7.796 ( 0.000 11.771 3.407) 12.254 7.959 ( 0.000 -0.136 -6.957) 6.958 7.959 ( 0.000 -0.136 6.957) 6.958 8.332 ( 0.000 -3.131 -1.943) 3.685 8.332 ( 0.000 -3.131 1.943) 3.685 8.528 ( 0.000 1.465 -1.249) 1.925 8.528 ( 0.000 1.464 1.249) 1.925 8.888 ( 0.000 -4.314 -5.257) 6.801 8.888 ( 0.000 -4.315 5.257) 6.801 8.952 ( 0.000 -13.285 -2.272) 13.478 8.952 ( 0.000 -13.285 2.272) 13.478 9.583 ( 0.000 0.568 -2.289) 2.359 9.583 ( 0.000 0.568 2.289) 2.359 10.035 ( 0.000 0.018 -7.101) 7.101 10.035 ( 0.000 0.018 7.101) 7.101 10.430 ( 0.000 -3.463 -0.134) 3.466 10.430 ( 0.000 -3.463 0.134) 3.466 10.756 ( 0.000 5.466 -1.660) 5.712 10.756 ( 0.000 5.465 1.660) 5.712 11.181 ( 0.000 4.077 -2.148) 4.608 11.181 ( 0.000 4.077 2.148) 4.608 11.583 ( 0.000 -7.626 -3.926) 8.577 11.583 ( 0.000 -7.626 3.926) 8.577 12.578 ( 0.000 5.626 -0.242) 5.631 12.578 ( 0.000 5.626 0.242) 5.631 12.911 ( 0.000 2.373 -6.843) 7.243 12.911 ( 0.000 2.373 6.843) 7.243 13.087 ( 0.000 -1.861 -2.057) 2.773 13.087 ( 0.000 -1.861 2.057) 2.773 13.353 ( 0.000 0.016 -0.657) 0.658 13.353 ( 0.000 0.016 0.657) 0.658 14.297 ( 0.000 10.834 -10.965) 15.415 14.297 ( 0.000 10.834 10.965) 15.415 14.589 ( 0.000 -2.146 -8.959) 9.212 14.589 ( 0.000 -2.146 8.959) 9.212 15.486 ( 0.000 -0.250 -2.699) 2.710 15.486 ( 0.000 -0.250 2.699) 2.710 16.125 ( 0.000 -17.204 -2.969) 17.459 16.125 ( 0.000 -17.204 2.969) 17.459 19.571 ( 0.000 15.957 -1.391) 16.017 19.571 ( 0.000 15.957 1.391) 16.017 19.814 ( 0.000 11.533 -6.235) 13.110 19.814 ( 0.000 11.533 6.235) 13.110 20.479 ( 0.000 -4.251 -3.510) 5.513 20.479 ( 0.000 -4.251 3.510) 5.513 21.259 ( 0.000 -8.215 -1.652) 8.380 21.259 ( 0.000 -8.215 1.652) 8.380 22.283 ( 0.000 0.088 -0.786) 0.791 22.283 ( 0.000 0.088 0.786) 0.791 22.731 ( 0.000 0.008 -0.572) 0.572 22.731 ( 0.000 0.008 0.572) 0.572 23.797 ( 0.000 -1.489 -0.244) 1.509 23.797 ( 0.000 -1.489 0.244) 1.509 23.995 ( 0.000 -2.946 -4.205) 5.134 23.995 ( 0.000 -2.946 4.205) 5.134 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 2.174 23.120 -1.647) 23.281 3.102 ( 2.174 23.120 1.647) 23.281 3.493 ( -0.696 7.140 -7.213) 10.173 3.493 ( -0.696 7.140 7.213) 10.173 3.647 ( -2.214 5.917 -4.316) 7.651 3.647 ( -2.214 5.917 4.316) 7.651 3.873 ( -7.887 6.580 -3.717) 10.923 3.873 ( -7.887 6.580 3.717) 10.923 4.049 ( 3.990 4.233 -4.202) 7.177 4.049 ( 3.990 4.233 4.202) 7.177 4.391 ( -3.105 -3.053 -2.775) 5.163 4.391 ( -3.105 -3.053 2.775) 5.163 4.867 ( 4.108 -2.232 -5.456) 7.185 4.867 ( 4.108 -2.232 5.456) 7.185 5.137 ( -1.938 -8.889 -2.504) 9.437 5.137 ( -1.938 -8.889 2.504) 9.437 5.259 ( -0.179 -6.634 -2.741) 7.181 5.259 ( -0.179 -6.634 2.741) 7.181 5.595 ( -10.564 5.391 -5.153) 12.931 5.595 ( -10.564 5.391 5.153) 12.931 5.923 ( 1.595 7.736 -1.989) 8.145 5.923 ( 1.595 7.736 1.989) 8.145 6.267 ( 5.678 -0.890 -0.536) 5.773 6.267 ( 5.678 -0.890 0.536) 5.773 6.861 ( 9.890 -7.644 -1.847) 12.635 6.861 ( 9.890 -7.644 1.847) 12.635 7.519 ( 1.925 3.612 -1.312) 4.298 7.519 ( 1.925 3.612 1.312) 4.298 7.786 ( -0.677 7.050 -5.015) 8.678 7.786 ( -0.677 7.050 5.015) 8.678 7.911 ( -3.982 -2.168 -4.811) 6.611 7.911 ( -3.982 -2.168 4.811) 6.611 8.346 ( 2.187 1.835 -1.743) 3.345 8.346 ( 2.187 1.835 1.743) 3.345 8.548 ( 3.828 0.682 -5.144) 6.448 8.548 ( 3.828 0.682 5.144) 6.448 8.950 ( 0.976 -17.805 -1.578) 17.901 8.950 ( 0.976 -17.805 1.578) 17.901 9.015 ( 10.298 -0.347 -5.309) 11.591 9.015 ( 10.298 -0.347 5.309) 11.591 9.532 ( -5.934 0.354 -2.267) 6.362 9.532 ( -5.934 0.354 2.267) 6.362 9.766 ( -21.038 -2.069 -4.922) 21.705 9.766 ( -21.038 -2.069 4.922) 21.705 10.596 ( 10.857 1.165 -2.361) 11.172 10.596 ( 10.857 1.165 2.361) 11.172 10.793 ( 3.487 5.576 -2.615) 7.077 10.793 ( 3.487 5.576 2.615) 7.077 11.181 ( 0.405 1.059 -1.370) 1.778 11.181 ( 0.405 1.059 1.370) 1.778 11.529 ( -5.643 -8.340 -3.964) 10.822 11.529 ( -5.643 -8.340 3.964) 10.822 12.593 ( 1.569 5.505 -0.576) 5.754 12.593 ( 1.569 5.505 0.576) 5.754 12.852 ( -4.637 1.564 -4.540) 6.675 12.852 ( -4.637 1.564 4.540) 6.675 13.153 ( 5.210 -0.349 -0.793) 5.281 13.153 ( 5.210 -0.349 0.793) 5.281 13.348 ( -0.526 0.021 -1.269) 1.374 13.348 ( -0.526 0.021 1.269) 1.374 14.301 ( 0.568 9.307 -9.155) 13.067 14.301 ( 0.568 9.307 9.155) 13.067 14.544 ( -4.299 -1.820 -7.100) 8.497 14.544 ( -4.299 -1.820 7.100) 8.497 15.520 ( 3.030 1.709 -2.100) 4.064 15.520 ( 3.030 1.709 2.100) 4.064 16.126 ( 0.089 -18.065 -2.542) 18.243 16.126 ( 0.089 -18.065 2.542) 18.243 19.570 ( -0.158 15.831 -1.087) 15.869 19.570 ( -0.158 15.831 1.087) 15.869 19.809 ( -0.434 11.425 -4.868) 12.426 19.809 ( -0.434 11.425 4.868) 12.426 20.538 ( 5.896 -3.681 -3.775) 7.910 20.538 ( 5.896 -3.681 3.775) 7.910 21.201 ( -5.808 -8.633 -2.929) 10.809 21.201 ( -5.808 -8.633 2.929) 10.809 22.308 ( 2.767 0.134 -1.228) 3.031 22.308 ( 2.767 0.134 1.228) 3.031 22.670 ( -5.986 0.080 -0.755) 6.034 22.670 ( -5.986 0.080 0.755) 6.034 23.832 ( 3.344 -1.387 -0.874) 3.724 23.832 ( 3.344 -1.387 0.874) 3.724 23.998 ( 0.163 -3.112 -3.728) 4.859 23.998 ( 0.163 -3.112 3.728) 4.859 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 1.608 26.202 -1.522) 26.296 3.145 ( 1.608 26.202 1.522) 26.296 3.508 ( 2.723 4.679 -5.966) 8.056 3.508 ( 2.723 4.679 5.966) 8.056 3.600 ( -2.756 5.628 -3.105) 6.994 3.600 ( -2.756 5.628 3.105) 6.994 3.719 ( -6.391 6.339 -3.830) 9.782 3.719 ( -6.391 6.339 3.830) 9.782 4.128 ( 3.431 8.052 -2.578) 9.125 4.128 ( 3.431 8.052 2.578) 9.125 4.327 ( -2.955 -11.782 -2.539) 12.409 4.327 ( -2.955 -11.782 2.539) 12.409 4.947 ( 3.383 0.020 -3.904) 5.166 4.947 ( 3.383 0.020 3.904) 5.166 5.094 ( -2.151 -4.490 -2.666) 5.648 5.094 ( -2.151 -4.490 2.666) 5.648 5.260 ( 0.363 -8.325 -0.788) 8.370 5.260 ( 0.363 -8.325 0.788) 8.370 5.411 ( -6.501 -6.127 -4.085) 9.823 5.411 ( -6.501 -6.127 4.085) 9.823 5.976 ( 2.166 17.072 -1.102) 17.244 5.976 ( 2.166 17.072 1.102) 17.244 6.343 ( 2.083 0.965 -0.107) 2.298 6.343 ( 2.083 0.965 0.107) 2.298 7.103 ( 14.988 -4.462 -4.781) 16.353 7.103 ( 14.988 -4.462 4.781) 16.353 7.406 ( -12.949 1.080 -5.620) 14.157 7.406 ( -12.949 1.080 5.620) 14.157 7.806 ( 1.925 2.762 -3.391) 4.779 7.806 ( 1.925 2.762 3.391) 4.779 7.860 ( -1.386 1.414 -1.657) 2.582 7.860 ( -1.386 1.414 1.657) 2.582 8.379 ( 0.598 4.264 -0.471) 4.332 8.379 ( 0.598 4.264 0.471) 4.332 8.746 ( 15.561 -2.777 -4.434) 16.417 8.746 ( 15.561 -2.777 4.434) 16.417 8.970 ( 2.533 -15.339 -1.008) 15.579 8.970 ( 2.533 -15.339 1.008) 15.579 9.189 ( -4.129 2.096 -6.137) 7.688 9.189 ( -4.129 2.096 6.137) 7.688 9.302 ( -6.848 -4.519 -7.908) 11.396 9.302 ( -6.848 -4.519 7.908) 11.396 9.463 ( -9.855 -1.330 -4.059) 10.741 9.463 ( -9.855 -1.330 4.059) 10.741 10.758 ( 6.314 6.723 -2.406) 9.532 10.758 ( 6.314 6.723 2.406) 9.532 10.837 ( -0.418 7.408 -3.025) 8.012 10.837 ( -0.418 7.408 3.025) 8.012 11.232 ( 5.749 -6.293 -2.388) 8.852 11.232 ( 5.749 -6.293 2.388) 8.852 11.386 ( -8.695 -9.229 -3.854) 13.253 11.386 ( -8.695 -9.229 3.854) 13.253 12.631 ( 2.026 5.301 -0.835) 5.736 12.631 ( 2.026 5.301 0.835) 5.736 12.772 ( -3.124 1.415 -2.087) 4.015 12.772 ( -3.124 1.415 2.087) 4.015 13.240 ( 3.302 1.372 -1.747) 3.980 13.240 ( 3.302 1.372 1.747) 3.980 13.332 ( -1.061 -0.444 -1.957) 2.270 13.332 ( -1.061 -0.444 1.957) 2.270 14.323 ( 1.512 6.208 -3.800) 7.434 14.323 ( 1.512 6.208 3.800) 7.434 14.458 ( -3.713 -0.472 -2.536) 4.521 14.458 ( -3.713 -0.472 2.536) 4.521 15.571 ( 1.737 4.786 -0.817) 5.157 15.571 ( 1.737 4.786 0.817) 5.157 16.128 ( 0.040 -19.604 -1.065) 19.633 16.128 ( 0.040 -19.604 1.065) 19.633 19.567 ( -0.091 15.642 -0.393) 15.647 19.567 ( -0.091 15.642 0.393) 15.647 19.802 ( -0.240 11.296 -1.766) 11.436 19.802 ( -0.240 11.296 1.766) 11.436 20.665 ( 5.829 -1.795 -2.717) 6.677 20.665 ( 5.829 -1.795 2.717) 6.677 21.074 ( -5.866 -10.323 -2.570) 12.148 21.074 ( -5.866 -10.323 2.570) 12.148 22.392 ( 6.191 0.216 -1.399) 6.351 22.392 ( 6.191 0.216 1.399) 6.351 22.532 ( -8.009 0.171 -1.107) 8.087 22.532 ( -8.009 0.171 1.107) 8.087 23.899 ( 2.831 -0.842 -1.113) 3.157 23.899 ( 2.831 -0.842 1.113) 3.157 23.992 ( -0.778 -3.754 -2.110) 4.376 23.992 ( -0.778 -3.754 2.110) 4.376 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 0.000 0.000 -0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 -0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 -0.000 0.000) 0.000 4.850 ( 0.000 -0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 -0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 -0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 -0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.946 ( 0.000 0.000 0.000) 0.000 7.946 ( 0.000 -0.000 0.000) 0.000 7.970 ( 0.000 -0.000 -0.000) 0.000 7.970 ( 0.000 0.000 -0.000) 0.000 8.321 ( 0.000 -0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.675 ( 0.000 -0.000 0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 8.938 ( 0.000 0.000 0.000) 0.000 8.938 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 10.031 ( 0.000 0.000 0.000) 0.000 10.031 ( 0.000 0.000 0.000) 0.000 10.388 ( 0.000 0.000 0.000) 0.000 10.388 ( 0.000 0.000 0.000) 0.000 10.821 ( 0.000 0.000 0.000) 0.000 10.821 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 -0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.486 ( 0.000 0.000 0.000) 0.000 11.486 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 12.929 ( 0.000 0.000 0.000) 0.000 12.929 ( 0.000 0.000 0.000) 0.000 13.062 ( 0.000 -0.000 0.000) 0.000 13.062 ( 0.000 0.000 0.000) 0.000 13.349 ( 0.000 -0.000 0.000) 0.000 13.349 ( 0.000 0.000 0.000) 0.000 14.439 ( 0.000 0.000 0.000) 0.000 14.439 ( 0.000 0.000 0.000) 0.000 14.551 ( 0.000 0.000 -0.000) 0.000 14.551 ( 0.000 -0.000 0.000) 0.000 15.488 ( 0.000 0.000 0.000) 0.000 15.488 ( 0.000 0.000 0.000) 0.000 15.925 ( 0.000 0.000 0.000) 0.000 15.925 ( 0.000 0.000 0.000) 0.000 19.837 ( 0.000 0.000 0.000) 0.000 19.837 ( 0.000 0.000 -0.000) 0.000 19.845 ( 0.000 -0.000 0.000) 0.000 19.845 ( 0.000 -0.000 0.000) 0.000 20.451 ( 0.000 0.000 0.000) 0.000 20.451 ( 0.000 0.000 0.000) 0.000 21.152 ( 0.000 -0.000 0.000) 0.000 21.152 ( 0.000 0.000 0.000) 0.000 22.284 ( 0.000 0.000 0.000) 0.000 22.284 ( 0.000 0.000 0.000) 0.000 22.731 ( 0.000 0.000 0.000) 0.000 22.731 ( 0.000 0.000 0.000) 0.000 23.781 ( 0.000 0.000 0.000) 0.000 23.781 ( 0.000 0.000 0.000) 0.000 23.962 ( 0.000 0.000 0.000) 0.000 23.962 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 4.981 0.000 0.000) 4.981 3.387 ( 4.981 0.000 0.000) 4.981 3.611 ( -1.612 0.000 0.000) 1.612 3.611 ( -1.612 0.000 0.000) 1.612 3.647 ( -3.195 -0.000 0.000) 3.195 3.647 ( -3.195 0.000 0.000) 3.195 3.914 ( -3.628 0.000 0.000) 3.628 3.914 ( -3.628 0.000 0.000) 3.628 4.186 ( -0.538 0.000 0.000) 0.538 4.186 ( -0.538 0.000 0.000) 0.538 4.285 ( -6.485 -0.000 0.000) 6.485 4.285 ( -6.485 0.000 0.000) 6.485 4.892 ( 4.292 -0.000 0.000) 4.292 4.892 ( 4.292 -0.000 0.000) 4.292 4.964 ( 0.999 0.000 0.000) 0.999 4.964 ( 0.999 0.000 0.000) 0.999 5.217 ( -2.321 0.000 0.000) 2.321 5.217 ( -2.321 0.000 0.000) 2.321 5.604 ( -17.282 0.000 0.000) 17.282 5.604 ( -17.282 0.000 0.000) 17.282 6.102 ( 7.995 0.000 0.000) 7.995 6.102 ( 7.995 0.000 0.000) 7.995 6.215 ( 9.318 -0.000 0.000) 9.318 6.215 ( 9.318 0.000 0.000) 9.318 6.768 ( 9.819 0.000 0.000) 9.819 6.768 ( 9.819 0.000 0.000) 9.819 7.565 ( 3.914 0.000 0.000) 3.914 7.565 ( 3.914 0.000 0.000) 3.914 7.827 ( -9.716 0.000 0.000) 9.716 7.827 ( -9.716 -0.000 0.000) 9.716 7.941 ( -0.619 -0.000 -0.000) 0.619 7.941 ( -0.619 0.000 0.000) 0.619 8.405 ( 7.438 -0.000 0.000) 7.438 8.405 ( 7.438 0.000 0.000) 7.438 8.532 ( 0.466 -0.000 0.000) 0.466 8.532 ( 0.466 0.000 0.000) 0.466 8.713 ( 2.818 -0.000 0.000) 2.818 8.713 ( 2.818 0.000 0.000) 2.818 9.022 ( 9.128 0.000 0.000) 9.128 9.022 ( 9.128 0.000 0.000) 9.128 9.538 ( -6.376 0.000 0.000) 6.376 9.538 ( -6.376 0.000 0.000) 6.376 9.740 ( -21.603 0.000 0.000) 21.603 9.740 ( -21.603 0.000 0.000) 21.603 10.606 ( 14.811 0.000 0.000) 14.811 10.606 ( 14.811 0.000 0.000) 14.811 10.860 ( 4.090 0.000 0.000) 4.090 10.860 ( 4.090 0.000 0.000) 4.090 11.205 ( -3.219 -0.000 0.000) 3.219 11.205 ( -3.219 0.000 0.000) 3.219 11.419 ( -6.782 0.000 0.000) 6.782 11.419 ( -6.782 0.000 0.000) 6.782 12.669 ( 1.390 0.000 0.000) 1.390 12.669 ( 1.390 0.000 0.000) 1.390 12.861 ( -4.893 -0.000 0.000) 4.893 12.861 ( -4.893 0.000 0.000) 4.893 13.145 ( 6.256 0.000 0.000) 6.256 13.145 ( 6.256 0.000 0.000) 6.256 13.344 ( -0.647 -0.000 0.000) 0.647 13.344 ( -0.647 0.000 0.000) 0.647 14.426 ( -1.141 0.000 0.000) 1.141 14.426 ( -1.141 0.000 0.000) 1.141 14.507 ( -3.920 0.000 -0.000) 3.920 14.507 ( -3.920 -0.000 0.000) 3.920 15.560 ( 6.848 0.000 0.000) 6.848 15.560 ( 6.848 0.000 0.000) 6.848 15.902 ( -2.441 0.000 0.000) 2.441 15.902 ( -2.441 0.000 0.000) 2.441 19.834 ( -0.251 0.000 0.000) 0.251 19.834 ( -0.251 0.000 -0.000) 0.251 19.838 ( -0.545 -0.000 0.000) 0.545 19.838 ( -0.545 -0.000 0.000) 0.545 20.520 ( 7.029 0.000 0.000) 7.029 20.520 ( 7.029 0.000 0.000) 7.029 21.086 ( -6.809 -0.000 0.000) 6.809 21.086 ( -6.809 0.000 0.000) 6.809 22.309 ( 2.818 0.000 0.000) 2.818 22.309 ( 2.818 0.000 0.000) 2.818 22.671 ( -5.918 0.000 0.000) 5.918 22.671 ( -5.918 0.000 0.000) 5.918 23.817 ( 3.491 0.000 0.000) 3.491 23.817 ( 3.491 0.000 0.000) 3.491 23.964 ( -0.055 0.000 0.000) 0.055 23.964 ( -0.055 0.000 0.000) 0.055 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 6.268 -0.000 0.000) 6.268 3.511 ( 6.268 0.000 0.000) 6.268 3.572 ( -2.240 0.000 -0.000) 2.240 3.572 ( -2.240 0.000 0.000) 2.240 3.621 ( 2.954 0.000 -0.000) 2.954 3.621 ( 2.954 0.000 0.000) 2.954 3.782 ( -10.199 -0.000 -0.000) 10.199 3.782 ( -10.199 0.000 0.000) 10.199 4.174 ( -0.483 -0.000 0.000) 0.483 4.174 ( -0.483 0.000 0.000) 0.483 4.187 ( -2.669 -0.000 -0.000) 2.669 4.187 ( -2.669 0.000 0.000) 2.669 4.982 ( 3.579 -0.000 0.000) 3.579 4.982 ( 3.579 0.000 0.000) 3.579 4.991 ( 1.475 -0.000 0.000) 1.475 4.991 ( 1.475 0.000 0.000) 1.475 5.193 ( 1.705 0.000 0.000) 1.705 5.193 ( 1.705 0.000 0.000) 1.705 5.327 ( -11.710 -0.000 0.000) 11.710 5.327 ( -11.710 -0.000 0.000) 11.710 6.245 ( 5.895 -0.000 0.000) 5.895 6.245 ( 5.895 0.000 0.000) 5.895 6.301 ( 0.304 -0.000 0.000) 0.304 6.301 ( 0.304 0.000 0.000) 0.304 7.038 ( 18.002 0.000 0.000) 18.002 7.038 ( 18.002 0.000 0.000) 18.002 7.392 ( -18.045 0.000 0.000) 18.045 7.392 ( -18.045 0.000 0.000) 18.045 7.837 ( 5.823 0.000 0.000) 5.823 7.837 ( 5.823 0.000 0.000) 5.823 7.915 ( -2.418 0.000 0.000) 2.418 7.915 ( -2.418 0.000 0.000) 2.418 8.533 ( 3.423 0.000 0.000) 3.423 8.533 ( 3.423 0.000 0.000) 3.423 8.545 ( 0.674 -0.000 -0.000) 0.674 8.545 ( 0.674 -0.000 0.000) 0.674 8.843 ( 14.661 0.000 0.000) 14.661 8.843 ( 14.661 0.000 0.000) 14.661 9.233 ( -23.586 -0.000 -0.000) 23.586 9.233 ( -23.586 0.000 0.000) 23.586 9.238 ( 12.311 0.000 0.000) 12.311 9.238 ( 12.311 0.000 0.000) 12.311 9.451 ( -10.329 0.000 0.000) 10.329 9.451 ( -10.329 0.000 0.000) 10.329 10.849 ( 10.372 -0.000 0.000) 10.372 10.849 ( 10.372 0.000 0.000) 10.372 10.944 ( 2.150 -0.000 0.000) 2.150 10.944 ( 2.150 0.000 0.000) 2.150 11.146 ( -0.541 -0.000 0.000) 0.541 11.146 ( -0.541 0.000 0.000) 0.541 11.256 ( -9.473 0.000 0.000) 9.473 11.256 ( -9.473 0.000 0.000) 9.473 12.709 ( 2.900 0.000 0.000) 2.900 12.709 ( 2.900 0.000 0.000) 2.900 12.775 ( -4.075 -0.000 0.000) 4.075 12.775 ( -4.075 0.000 0.000) 4.075 13.254 ( 4.820 0.000 0.000) 4.820 13.254 ( 4.820 0.000 0.000) 4.820 13.319 ( -2.210 0.000 0.000) 2.210 13.319 ( -2.210 0.000 0.000) 2.210 14.411 ( -0.028 0.000 -0.000) 0.028 14.411 ( -0.028 0.000 0.000) 0.028 14.437 ( -2.869 -0.000 0.000) 2.869 14.437 ( -2.869 -0.000 0.000) 2.869 15.705 ( 7.726 -0.000 0.000) 7.726 15.705 ( 7.726 0.000 0.000) 7.726 15.830 ( -5.310 0.000 0.000) 5.310 15.830 ( -5.310 0.000 0.000) 5.310 19.830 ( -0.183 -0.000 -0.000) 0.183 19.830 ( -0.183 0.002 -0.000) 0.183 19.830 ( -0.248 -0.002 0.000) 0.248 19.830 ( -0.248 0.000 0.000) 0.248 20.696 ( 11.114 0.000 0.000) 11.114 20.696 ( 11.114 0.000 0.000) 11.114 20.912 ( -11.091 -0.000 0.000) 11.091 20.912 ( -11.091 0.000 0.000) 11.091 22.395 ( 6.261 0.000 0.000) 6.261 22.395 ( 6.261 0.000 0.000) 6.261 22.534 ( -8.013 0.000 0.000) 8.013 22.534 ( -8.013 0.000 0.000) 8.013 23.892 ( 3.911 0.000 0.000) 3.911 23.892 ( 3.911 0.000 0.000) 3.911 23.948 ( -1.898 0.000 0.000) 1.898 23.948 ( -1.898 0.000 0.000) 1.898 =================== 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 3/33600 10.0 308.947 212.950 416.763 0.000 0.000 -0.000 3/33600 20.0 83.680 78.774 94.165 0.000 0.000 -0.000 3/33600 30.0 33.975 34.483 40.080 0.000 0.000 -0.000 3/33600 40.0 19.362 20.570 23.619 0.000 0.000 -0.000 3/33600 50.0 13.029 14.233 16.206 0.000 0.000 -0.000 3/33600 60.0 9.601 10.657 12.054 0.000 0.000 -0.000 3/33600 70.0 7.497 8.399 9.444 0.000 0.000 -0.000 3/33600 80.0 6.099 6.873 7.683 0.000 0.000 -0.000 3/33600 90.0 5.117 5.791 6.436 0.000 0.000 -0.000 3/33600 100.0 4.399 4.996 5.518 0.000 0.000 -0.000 3/33600 110.0 3.856 4.395 4.821 0.000 0.000 -0.000 3/33600 120.0 3.434 3.928 4.279 0.000 0.000 -0.000 3/33600 130.0 3.098 3.559 3.846 0.000 0.000 -0.000 3/33600 140.0 2.826 3.262 3.495 0.000 0.000 -0.000 3/33600 150.0 2.601 3.017 3.204 0.000 0.000 -0.000 3/33600 160.0 2.412 2.814 2.961 0.000 0.000 -0.000 3/33600 170.0 2.251 2.643 2.753 0.000 0.000 0.000 3/33600 180.0 2.113 2.497 2.575 0.000 0.000 0.000 3/33600 190.0 1.993 2.370 2.420 0.000 0.000 0.000 3/33600 200.0 1.887 2.259 2.284 0.000 0.000 0.000 3/33600 210.0 1.794 2.161 2.163 0.000 0.000 0.000 3/33600 220.0 1.710 2.073 2.056 0.000 0.000 0.000 3/33600 230.0 1.635 1.995 1.960 0.000 0.000 0.000 3/33600 240.0 1.567 1.923 1.872 0.000 0.000 0.000 3/33600 250.0 1.505 1.858 1.793 0.000 0.000 0.000 3/33600 260.0 1.449 1.798 1.721 0.000 0.000 0.000 3/33600 270.0 1.397 1.743 1.655 0.000 0.000 0.000 3/33600 280.0 1.348 1.692 1.594 0.000 0.000 0.000 3/33600 290.0 1.304 1.644 1.538 0.000 0.000 0.000 3/33600 300.0 1.262 1.599 1.486 0.000 0.000 0.000 3/33600 310.0 1.224 1.556 1.437 0.000 0.000 0.000 3/33600 320.0 1.188 1.516 1.392 0.000 0.000 0.000 3/33600 330.0 1.154 1.479 1.350 0.000 0.000 0.000 3/33600 340.0 1.122 1.443 1.310 0.000 0.000 0.000 3/33600 350.0 1.092 1.409 1.273 0.000 0.000 0.000 3/33600 360.0 1.063 1.377 1.237 0.000 0.000 0.000 3/33600 370.0 1.036 1.346 1.204 0.000 0.000 0.000 3/33600 380.0 1.011 1.316 1.173 0.000 0.000 0.000 3/33600 390.0 0.986 1.288 1.143 0.000 0.000 0.000 3/33600 400.0 0.963 1.261 1.115 0.000 0.000 0.000 3/33600 410.0 0.941 1.235 1.088 0.000 0.000 0.000 3/33600 420.0 0.920 1.211 1.062 0.000 0.000 0.000 3/33600 430.0 0.900 1.187 1.038 0.000 0.000 0.000 3/33600 440.0 0.881 1.164 1.015 0.000 0.000 0.000 3/33600 450.0 0.862 1.142 0.992 0.000 0.000 0.000 3/33600 460.0 0.845 1.120 0.971 0.000 0.000 0.000 3/33600 470.0 0.828 1.100 0.951 0.000 0.000 0.000 3/33600 480.0 0.812 1.080 0.931 0.000 0.000 0.000 3/33600 490.0 0.796 1.061 0.913 0.000 0.000 0.000 3/33600 500.0 0.781 1.042 0.895 0.000 0.000 0.000 3/33600 510.0 0.767 1.024 0.878 0.000 0.000 0.000 3/33600 520.0 0.753 1.007 0.861 0.000 0.000 0.000 3/33600 530.0 0.739 0.990 0.845 0.000 0.000 0.000 3/33600 540.0 0.726 0.974 0.830 0.000 0.000 0.000 3/33600 550.0 0.714 0.959 0.815 0.000 0.000 0.000 3/33600 560.0 0.702 0.943 0.801 0.000 0.000 0.000 3/33600 570.0 0.690 0.929 0.787 0.000 0.000 0.000 3/33600 580.0 0.679 0.914 0.773 0.000 0.000 0.000 3/33600 590.0 0.668 0.900 0.760 0.000 0.000 0.000 3/33600 600.0 0.657 0.887 0.748 0.000 0.000 0.000 3/33600 610.0 0.647 0.874 0.736 0.000 0.000 0.000 3/33600 620.0 0.637 0.861 0.724 0.000 0.000 0.000 3/33600 630.0 0.627 0.849 0.713 0.000 0.000 0.000 3/33600 640.0 0.618 0.837 0.702 0.000 0.000 0.000 3/33600 650.0 0.609 0.825 0.691 0.000 0.000 0.000 3/33600 660.0 0.600 0.813 0.681 0.000 0.000 0.000 3/33600 670.0 0.591 0.802 0.671 0.000 0.000 0.000 3/33600 680.0 0.583 0.792 0.661 0.000 0.000 0.000 3/33600 690.0 0.575 0.781 0.652 0.000 0.000 0.000 3/33600 700.0 0.567 0.771 0.643 0.000 0.000 0.000 3/33600 710.0 0.559 0.761 0.634 0.000 0.000 0.000 3/33600 720.0 0.552 0.751 0.625 0.000 0.000 0.000 3/33600 730.0 0.545 0.741 0.617 0.000 0.000 0.000 3/33600 740.0 0.537 0.732 0.608 0.000 0.000 0.000 3/33600 750.0 0.531 0.723 0.600 0.000 0.000 0.000 3/33600 760.0 0.524 0.714 0.593 0.000 0.000 0.000 3/33600 770.0 0.517 0.706 0.585 0.000 0.000 0.000 3/33600 780.0 0.511 0.697 0.578 0.000 0.000 0.000 3/33600 790.0 0.505 0.689 0.570 0.000 0.000 0.000 3/33600 800.0 0.498 0.681 0.563 0.000 0.000 0.000 3/33600 810.0 0.492 0.673 0.557 0.000 0.000 0.000 3/33600 820.0 0.487 0.665 0.550 0.000 0.000 0.000 3/33600 830.0 0.481 0.658 0.543 0.000 0.000 0.000 3/33600 840.0 0.475 0.650 0.537 0.000 0.000 0.000 3/33600 850.0 0.470 0.643 0.531 0.000 0.000 0.000 3/33600 860.0 0.465 0.636 0.525 0.000 0.000 0.000 3/33600 870.0 0.459 0.629 0.519 0.000 0.000 0.000 3/33600 880.0 0.454 0.622 0.513 0.000 0.000 0.000 3/33600 890.0 0.449 0.616 0.507 0.000 0.000 0.000 3/33600 900.0 0.445 0.609 0.502 0.000 0.000 0.000 3/33600 910.0 0.440 0.603 0.496 0.000 0.000 0.000 3/33600 920.0 0.435 0.597 0.491 0.000 0.000 0.000 3/33600 930.0 0.431 0.591 0.486 0.000 0.000 0.000 3/33600 940.0 0.426 0.585 0.480 0.000 0.000 0.000 3/33600 950.0 0.422 0.579 0.475 0.000 0.000 0.000 3/33600 960.0 0.417 0.573 0.471 0.000 0.000 0.000 3/33600 970.0 0.413 0.567 0.466 0.000 0.000 0.000 3/33600 980.0 0.409 0.562 0.461 0.000 0.000 0.000 3/33600 990.0 0.405 0.557 0.456 0.000 0.000 0.000 3/33600 1000.0 0.401 0.551 0.452 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:42:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|