----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:44:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.638194830015122 0.000000000000000 0.000000000000000 b 0.000000000000000 12.356165080000000 0.000000000000000 c -2.096186574832505 0.000000000000000 13.458607383986571 Atomic positions (fractional): *1 C 0.20417744727643 0.88255343311990 0.94987734370473 12.011 2 C 0.79582255272357 0.38255343311990 0.55012265629527 12.011 3 C 0.79582255272357 0.11744656688010 0.05012265629527 12.011 4 C 0.20417744727643 0.61744656688010 0.44987734370473 12.011 *5 C 0.15990591219511 0.36227349212565 0.32414629147851 12.011 6 C 0.84009408780489 0.86227349212565 0.17585370852149 12.011 7 C 0.84009408780489 0.63772650787435 0.67585370852149 12.011 8 C 0.15990591219511 0.13772650787435 0.82414629147851 12.011 *9 C 0.76001059610674 0.11129136604770 0.45401168003065 12.011 10 C 0.23998940389326 0.61129136604770 0.04598831996935 12.011 11 C 0.23998940389326 0.88870863395230 0.54598831996935 12.011 12 C 0.76001059610674 0.38870863395230 0.95401168003065 12.011 *13 C 0.41363308499162 0.08297888946499 0.27017626500761 12.011 14 C 0.58636691500838 0.58297888946499 0.22982373499239 12.011 15 C 0.58636691500838 0.91702111053501 0.72982373499239 12.011 16 C 0.41363308499162 0.41702111053501 0.77017626500761 12.011 *17 C 0.38028249825217 0.32825469279076 0.15097379288933 12.011 18 C 0.61971750174783 0.82825469279076 0.34902620711067 12.011 19 C 0.61971750174783 0.67174530720924 0.84902620711067 12.011 20 C 0.38028249825217 0.17174530720924 0.65097379288933 12.011 *21 C 0.58839892442659 0.10553445507613 0.36102922254976 12.011 22 C 0.41160107557341 0.60553445507613 0.13897077745024 12.011 23 C 0.41160107557341 0.89446554492387 0.63897077745024 12.011 24 C 0.58839892442659 0.39446554492387 0.86102922254976 12.011 *25 C 0.30988403039648 0.34955073967258 0.24322856274748 12.011 26 C 0.69011596960352 0.84955073967258 0.25677143725252 12.011 27 C 0.69011596960352 0.65044926032742 0.75677143725252 12.011 28 C 0.30988403039648 0.15044926032742 0.74322856274748 12.011 *29 Ho 0.30085167291020 0.98472759651351 0.10724037357691 164.930 30 Ho 0.69914832708980 0.48472759651351 0.39275962642309 164.930 31 Ho 0.69914832708980 0.01527240348649 0.89275962642309 164.930 32 Ho 0.30085167291020 0.51527240348649 0.60724037357691 164.930 *33 Ho 0.11864480529265 0.96172617031709 0.38023385629480 164.930 34 Ho 0.88135519470735 0.46172617031709 0.11976614370520 164.930 35 Ho 0.88135519470735 0.03827382968291 0.61976614370520 164.930 36 Ho 0.11864480529265 0.53827382968291 0.88023385629480 164.930 *37 Ho 0.87166178437835 0.19606512814058 0.21025871791397 164.930 38 Ho 0.12833821562165 0.69606512814058 0.28974128208603 164.930 39 Ho 0.12833821562165 0.80393487185942 0.78974128208603 164.930 40 Ho 0.87166178437835 0.30393487185942 0.71025871791397 164.930 *41 Ho 0.26628857194894 0.23864959134438 0.99245188081344 164.930 42 Ho 0.73371142805107 0.73864959134438 0.50754811918656 164.930 43 Ho 0.73371142805107 0.76135040865562 0.00754811918656 164.930 44 Ho 0.26628857194894 0.26135040865562 0.49245188081344 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.638194830015122 0.000000000000000 0.000000000000000 b 0.000000000000000 12.356165080000000 0.000000000000000 c -2.096186574832505 0.000000000000000 13.458607383986571 Atomic positions (fractional): *1 C 0.20417744727643 0.88255343311990 0.94987734370473 12.011 > 1 2 C 0.79582255272357 0.38255343311990 0.55012265629527 12.011 > 2 3 C 0.79582255272357 0.11744656688010 0.05012265629527 12.011 > 3 4 C 0.20417744727643 0.61744656688010 0.44987734370473 12.011 > 4 *5 C 0.15990591219511 0.36227349212565 0.32414629147851 12.011 > 5 6 C 0.84009408780489 0.86227349212565 0.17585370852149 12.011 > 6 7 C 0.84009408780489 0.63772650787435 0.67585370852149 12.011 > 7 8 C 0.15990591219511 0.13772650787435 0.82414629147851 12.011 > 8 *9 C 0.76001059610674 0.11129136604770 0.45401168003065 12.011 > 9 10 C 0.23998940389326 0.61129136604770 0.04598831996935 12.011 > 10 11 C 0.23998940389326 0.88870863395230 0.54598831996935 12.011 > 11 12 C 0.76001059610674 0.38870863395230 0.95401168003065 12.011 > 12 *13 C 0.41363308499162 0.08297888946499 0.27017626500761 12.011 > 13 14 C 0.58636691500838 0.58297888946499 0.22982373499239 12.011 > 14 15 C 0.58636691500838 0.91702111053501 0.72982373499239 12.011 > 15 16 C 0.41363308499162 0.41702111053501 0.77017626500761 12.011 > 16 *17 C 0.38028249825217 0.32825469279076 0.15097379288933 12.011 > 17 18 C 0.61971750174783 0.82825469279076 0.34902620711067 12.011 > 18 19 C 0.61971750174783 0.67174530720924 0.84902620711067 12.011 > 19 20 C 0.38028249825217 0.17174530720924 0.65097379288933 12.011 > 20 *21 C 0.58839892442659 0.10553445507613 0.36102922254976 12.011 > 21 22 C 0.41160107557341 0.60553445507613 0.13897077745024 12.011 > 22 23 C 0.41160107557341 0.89446554492387 0.63897077745024 12.011 > 23 24 C 0.58839892442659 0.39446554492387 0.86102922254976 12.011 > 24 *25 C 0.30988403039648 0.34955073967258 0.24322856274748 12.011 > 25 26 C 0.69011596960352 0.84955073967258 0.25677143725252 12.011 > 26 27 C 0.69011596960352 0.65044926032742 0.75677143725252 12.011 > 27 28 C 0.30988403039648 0.15044926032742 0.74322856274748 12.011 > 28 *29 Ho 0.30085167291020 0.98472759651351 0.10724037357691 164.930 > 29 30 Ho 0.69914832708980 0.48472759651351 0.39275962642309 164.930 > 30 31 Ho 0.69914832708980 0.01527240348649 0.89275962642309 164.930 > 31 32 Ho 0.30085167291020 0.51527240348649 0.60724037357691 164.930 > 32 *33 Ho 0.11864480529265 0.96172617031709 0.38023385629480 164.930 > 33 34 Ho 0.88135519470735 0.46172617031709 0.11976614370520 164.930 > 34 35 Ho 0.88135519470735 0.03827382968291 0.61976614370520 164.930 > 35 36 Ho 0.11864480529265 0.53827382968291 0.88023385629480 164.930 > 36 *37 Ho 0.87166178437835 0.19606512814058 0.21025871791397 164.930 > 37 38 Ho 0.12833821562165 0.69606512814058 0.28974128208603 164.930 > 38 39 Ho 0.12833821562165 0.80393487185942 0.78974128208603 164.930 > 39 40 Ho 0.87166178437835 0.30393487185942 0.71025871791397 164.930 > 40 *41 Ho 0.26628857194894 0.23864959134438 0.99245188081344 164.930 > 41 42 Ho 0.73371142805107 0.73864959134438 0.50754811918656 164.930 > 42 43 Ho 0.73371142805107 0.76135040865562 0.00754811918656 164.930 > 43 44 Ho 0.26628857194894 0.26135040865562 0.49245188081344 164.930 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.914584490045366 0.000000000000000 0.000000000000000 b 0.000000000000000 12.356165080000000 0.000000000000000 c -2.096186574832505 0.000000000000000 13.458607383986571 Atomic positions (fractional): *1 C 0.06805914909214 0.88255343311990 0.94987734370473 12.011 > 1 2 C 0.40139248242548 0.88255343311990 0.94987734370473 12.011 > 1 3 C 0.73472581575881 0.88255343311990 0.94987734370473 12.011 > 1 4 C 0.26527418424119 0.38255343311990 0.55012265629527 12.011 > 2 5 C 0.59860751757452 0.38255343311990 0.55012265629527 12.011 > 2 6 C 0.93194085090786 0.38255343311990 0.55012265629527 12.011 > 2 7 C 0.26527418424119 0.11744656688010 0.05012265629527 12.011 > 3 8 C 0.59860751757452 0.11744656688010 0.05012265629527 12.011 > 3 9 C 0.93194085090786 0.11744656688010 0.05012265629527 12.011 > 3 10 C 0.06805914909214 0.61744656688010 0.44987734370473 12.011 > 4 11 C 0.40139248242548 0.61744656688010 0.44987734370473 12.011 > 4 12 C 0.73472581575881 0.61744656688010 0.44987734370473 12.011 > 4 *13 C 0.05330197073170 0.36227349212565 0.32414629147851 12.011 > 5 14 C 0.38663530406504 0.36227349212565 0.32414629147851 12.011 > 5 15 C 0.71996863739837 0.36227349212565 0.32414629147851 12.011 > 5 16 C 0.28003136260163 0.86227349212565 0.17585370852149 12.011 > 6 17 C 0.61336469593496 0.86227349212565 0.17585370852149 12.011 > 6 18 C 0.94669802926830 0.86227349212565 0.17585370852149 12.011 > 6 19 C 0.28003136260163 0.63772650787435 0.67585370852149 12.011 > 7 20 C 0.61336469593496 0.63772650787435 0.67585370852149 12.011 > 7 21 C 0.94669802926830 0.63772650787435 0.67585370852149 12.011 > 7 22 C 0.05330197073170 0.13772650787435 0.82414629147851 12.011 > 8 23 C 0.38663530406504 0.13772650787435 0.82414629147851 12.011 > 8 24 C 0.71996863739837 0.13772650787435 0.82414629147851 12.011 > 8 *25 C 0.25333686536891 0.11129136604770 0.45401168003065 12.011 > 9 26 C 0.58667019870225 0.11129136604770 0.45401168003065 12.011 > 9 27 C 0.92000353203558 0.11129136604770 0.45401168003065 12.011 > 9 28 C 0.07999646796442 0.61129136604770 0.04598831996935 12.011 > 10 29 C 0.41332980129775 0.61129136604770 0.04598831996935 12.011 > 10 30 C 0.74666313463109 0.61129136604770 0.04598831996935 12.011 > 10 31 C 0.07999646796442 0.88870863395230 0.54598831996935 12.011 > 11 32 C 0.41332980129775 0.88870863395230 0.54598831996935 12.011 > 11 33 C 0.74666313463109 0.88870863395230 0.54598831996935 12.011 > 11 34 C 0.25333686536891 0.38870863395230 0.95401168003065 12.011 > 12 35 C 0.58667019870225 0.38870863395230 0.95401168003065 12.011 > 12 36 C 0.92000353203558 0.38870863395230 0.95401168003065 12.011 > 12 *37 C 0.13787769499721 0.08297888946499 0.27017626500761 12.011 > 13 38 C 0.47121102833054 0.08297888946499 0.27017626500761 12.011 > 13 39 C 0.80454436166387 0.08297888946499 0.27017626500761 12.011 > 13 40 C 0.19545563833613 0.58297888946499 0.22982373499239 12.011 > 14 41 C 0.52878897166946 0.58297888946499 0.22982373499239 12.011 > 14 42 C 0.86212230500279 0.58297888946499 0.22982373499239 12.011 > 14 43 C 0.19545563833613 0.91702111053501 0.72982373499239 12.011 > 15 44 C 0.52878897166946 0.91702111053501 0.72982373499239 12.011 > 15 45 C 0.86212230500279 0.91702111053501 0.72982373499239 12.011 > 15 46 C 0.13787769499721 0.41702111053501 0.77017626500761 12.011 > 16 47 C 0.47121102833054 0.41702111053501 0.77017626500761 12.011 > 16 48 C 0.80454436166387 0.41702111053501 0.77017626500761 12.011 > 16 *49 C 0.12676083275072 0.32825469279076 0.15097379288933 12.011 > 17 50 C 0.46009416608406 0.32825469279076 0.15097379288933 12.011 > 17 51 C 0.79342749941739 0.32825469279076 0.15097379288933 12.011 > 17 52 C 0.20657250058261 0.82825469279076 0.34902620711067 12.011 > 18 53 C 0.53990583391594 0.82825469279076 0.34902620711067 12.011 > 18 54 C 0.87323916724928 0.82825469279076 0.34902620711067 12.011 > 18 55 C 0.20657250058261 0.67174530720924 0.84902620711067 12.011 > 19 56 C 0.53990583391594 0.67174530720924 0.84902620711067 12.011 > 19 57 C 0.87323916724928 0.67174530720924 0.84902620711067 12.011 > 19 58 C 0.12676083275072 0.17174530720924 0.65097379288933 12.011 > 20 59 C 0.46009416608406 0.17174530720924 0.65097379288933 12.011 > 20 60 C 0.79342749941739 0.17174530720924 0.65097379288933 12.011 > 20 *61 C 0.19613297480886 0.10553445507613 0.36102922254976 12.011 > 21 62 C 0.52946630814220 0.10553445507613 0.36102922254976 12.011 > 21 63 C 0.86279964147553 0.10553445507613 0.36102922254976 12.011 > 21 64 C 0.13720035852447 0.60553445507613 0.13897077745024 12.011 > 22 65 C 0.47053369185780 0.60553445507613 0.13897077745024 12.011 > 22 66 C 0.80386702519114 0.60553445507613 0.13897077745024 12.011 > 22 67 C 0.13720035852447 0.89446554492387 0.63897077745024 12.011 > 23 68 C 0.47053369185780 0.89446554492387 0.63897077745024 12.011 > 23 69 C 0.80386702519114 0.89446554492387 0.63897077745024 12.011 > 23 70 C 0.19613297480886 0.39446554492387 0.86102922254976 12.011 > 24 71 C 0.52946630814220 0.39446554492387 0.86102922254976 12.011 > 24 72 C 0.86279964147553 0.39446554492387 0.86102922254976 12.011 > 24 *73 C 0.10329467679883 0.34955073967258 0.24322856274748 12.011 > 25 74 C 0.43662801013216 0.34955073967258 0.24322856274748 12.011 > 25 75 C 0.76996134346549 0.34955073967258 0.24322856274748 12.011 > 25 76 C 0.23003865653451 0.84955073967258 0.25677143725252 12.011 > 26 77 C 0.56337198986784 0.84955073967258 0.25677143725252 12.011 > 26 78 C 0.89670532320117 0.84955073967258 0.25677143725252 12.011 > 26 79 C 0.23003865653451 0.65044926032742 0.75677143725252 12.011 > 27 80 C 0.56337198986784 0.65044926032742 0.75677143725252 12.011 > 27 81 C 0.89670532320117 0.65044926032742 0.75677143725252 12.011 > 27 82 C 0.10329467679883 0.15044926032742 0.74322856274748 12.011 > 28 83 C 0.43662801013216 0.15044926032742 0.74322856274748 12.011 > 28 84 C 0.76996134346549 0.15044926032742 0.74322856274748 12.011 > 28 *85 Ho 0.10028389097007 0.98472759651351 0.10724037357691 164.930 > 29 86 Ho 0.43361722430340 0.98472759651351 0.10724037357691 164.930 > 29 87 Ho 0.76695055763673 0.98472759651351 0.10724037357691 164.930 > 29 88 Ho 0.23304944236327 0.48472759651351 0.39275962642309 164.930 > 30 89 Ho 0.56638277569660 0.48472759651351 0.39275962642309 164.930 > 30 90 Ho 0.89971610902993 0.48472759651351 0.39275962642309 164.930 > 30 91 Ho 0.23304944236327 0.01527240348649 0.89275962642309 164.930 > 31 92 Ho 0.56638277569660 0.01527240348649 0.89275962642309 164.930 > 31 93 Ho 0.89971610902993 0.01527240348649 0.89275962642309 164.930 > 31 94 Ho 0.10028389097007 0.51527240348649 0.60724037357691 164.930 > 32 95 Ho 0.43361722430340 0.51527240348649 0.60724037357691 164.930 > 32 96 Ho 0.76695055763673 0.51527240348649 0.60724037357691 164.930 > 32 *97 Ho 0.03954826843088 0.96172617031709 0.38023385629480 164.930 > 33 98 Ho 0.37288160176422 0.96172617031709 0.38023385629480 164.930 > 33 99 Ho 0.70621493509755 0.96172617031709 0.38023385629480 164.930 > 33 100 Ho 0.29378506490245 0.46172617031709 0.11976614370520 164.930 > 34 101 Ho 0.62711839823578 0.46172617031709 0.11976614370520 164.930 > 34 102 Ho 0.96045173156912 0.46172617031709 0.11976614370520 164.930 > 34 103 Ho 0.29378506490245 0.03827382968291 0.61976614370520 164.930 > 35 104 Ho 0.62711839823578 0.03827382968291 0.61976614370520 164.930 > 35 105 Ho 0.96045173156912 0.03827382968291 0.61976614370520 164.930 > 35 106 Ho 0.03954826843088 0.53827382968291 0.88023385629480 164.930 > 36 107 Ho 0.37288160176422 0.53827382968291 0.88023385629480 164.930 > 36 108 Ho 0.70621493509755 0.53827382968291 0.88023385629480 164.930 > 36 *109 Ho 0.29055392812612 0.19606512814058 0.21025871791397 164.930 > 37 110 Ho 0.62388726145945 0.19606512814058 0.21025871791397 164.930 > 37 111 Ho 0.95722059479278 0.19606512814058 0.21025871791397 164.930 > 37 112 Ho 0.04277940520722 0.69606512814058 0.28974128208603 164.930 > 38 113 Ho 0.37611273854055 0.69606512814058 0.28974128208603 164.930 > 38 114 Ho 0.70944607187388 0.69606512814058 0.28974128208603 164.930 > 38 115 Ho 0.04277940520722 0.80393487185942 0.78974128208603 164.930 > 39 116 Ho 0.37611273854055 0.80393487185942 0.78974128208603 164.930 > 39 117 Ho 0.70944607187388 0.80393487185942 0.78974128208603 164.930 > 39 118 Ho 0.29055392812612 0.30393487185942 0.71025871791397 164.930 > 40 119 Ho 0.62388726145945 0.30393487185942 0.71025871791397 164.930 > 40 120 Ho 0.95722059479278 0.30393487185942 0.71025871791397 164.930 > 40 *121 Ho 0.08876285731631 0.23864959134438 0.99245188081344 164.930 > 41 122 Ho 0.42209619064964 0.23864959134438 0.99245188081344 164.930 > 41 123 Ho 0.75542952398298 0.23864959134438 0.99245188081344 164.930 > 41 124 Ho 0.24457047601702 0.73864959134438 0.50754811918656 164.930 > 42 125 Ho 0.57790380935036 0.73864959134438 0.50754811918656 164.930 > 42 126 Ho 0.91123714268369 0.73864959134438 0.50754811918656 164.930 > 42 127 Ho 0.24457047601702 0.76135040865562 0.00754811918656 164.930 > 43 128 Ho 0.57790380935036 0.76135040865562 0.00754811918656 164.930 > 43 129 Ho 0.91123714268369 0.76135040865562 0.00754811918656 164.930 > 43 130 Ho 0.08876285731631 0.26135040865562 0.49245188081344 164.930 > 44 131 Ho 0.42209619064964 0.26135040865562 0.49245188081344 164.930 > 44 132 Ho 0.75542952398298 0.26135040865562 0.49245188081344 164.930 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.5592478 0.0000000 0.6088265 0.0000000 13.0681722 0.0000000 0.6088257 0.0000000 23.6356576 -------------------------- Born effective charges -------------------------- 1 C -5.7720551 0.3787546 0.0940743 0.3686316 -5.1302657 -0.5959427 -0.3391174 -1.2379994 -6.7356358 2 C -5.7720551 -0.3787546 0.0940743 -0.3686316 -5.1302657 0.5959427 -0.3391174 1.2379994 -6.7356358 3 C -5.7720551 0.3787546 0.0940743 0.3686316 -5.1302657 -0.5959427 -0.3391174 -1.2379994 -6.7356358 4 C -5.7720551 -0.3787546 0.0940743 -0.3686316 -5.1302657 0.5959427 -0.3391174 1.2379994 -6.7356358 5 C -2.5060984 0.2829878 0.6947075 0.3594925 -2.5588623 -0.6089087 0.8124263 -0.1352768 -4.8092401 6 C -2.5060984 -0.2829878 0.6947075 -0.3594925 -2.5588623 0.6089087 0.8124263 0.1352768 -4.8092401 7 C -2.5060984 0.2829878 0.6947075 0.3594925 -2.5588623 -0.6089087 0.8124263 -0.1352768 -4.8092401 8 C -2.5060984 -0.2829878 0.6947075 -0.3594925 -2.5588623 0.6089087 0.8124263 0.1352768 -4.8092401 9 C -2.4159946 -0.0147688 -0.6887642 -0.1624424 -2.0787812 -0.3812597 -0.9283213 0.3117959 -5.4281186 10 C -2.4159946 0.0147688 -0.6887642 0.1624424 -2.0787812 0.3812597 -0.9283213 -0.3117959 -5.4281186 11 C -2.4159946 -0.0147688 -0.6887642 -0.1624424 -2.0787812 -0.3812597 -0.9283213 0.3117959 -5.4281186 12 C -2.4159946 0.0147688 -0.6887642 0.1624424 -2.0787812 0.3812597 -0.9283213 -0.3117959 -5.4281186 13 C -2.8371681 -0.1896063 -0.9102637 -0.1942557 -2.2228151 -0.0813545 -1.3926268 -0.1070304 -5.4954563 14 C -2.8371681 0.1896063 -0.9102637 0.1942557 -2.2228151 0.0813545 -1.3926268 0.1070304 -5.4954563 15 C -2.8371681 -0.1896063 -0.9102637 -0.1942557 -2.2228151 -0.0813545 -1.3926268 -0.1070304 -5.4954563 16 C -2.8371681 0.1896063 -0.9102637 0.1942557 -2.2228151 0.0813545 -1.3926268 0.1070304 -5.4954563 17 C -3.1499811 0.5542516 1.0141607 0.4097644 -2.8537583 -0.9638732 0.7532301 -0.4463811 -4.9480546 18 C -3.1499811 -0.5542516 1.0141607 -0.4097644 -2.8537583 0.9638732 0.7532301 0.4463811 -4.9480546 19 C -3.1499811 0.5542516 1.0141607 0.4097644 -2.8537583 -0.9638732 0.7532301 -0.4463811 -4.9480546 20 C -3.1499811 -0.5542516 1.0141607 -0.4097644 -2.8537583 0.9638732 0.7532301 0.4463811 -4.9480546 21 C 0.1020602 0.5768656 2.0681274 0.3910523 -0.7829341 0.7690839 2.2346831 1.0155065 5.0356182 22 C 0.1020602 -0.5768656 2.0681274 -0.3910523 -0.7829341 -0.7690839 2.2346831 -1.0155065 5.0356182 23 C 0.1020602 0.5768656 2.0681274 0.3910523 -0.7829341 0.7690839 2.2346831 1.0155065 5.0356182 24 C 0.1020602 -0.5768656 2.0681274 -0.3910523 -0.7829341 -0.7690839 2.2346831 -1.0155065 5.0356182 25 C 0.4441659 -0.3826509 -1.9893344 -0.5641711 -0.3257587 1.4185014 -1.8805769 0.8930390 3.1329285 26 C 0.4441659 0.3826509 -1.9893344 0.5641711 -0.3257587 -1.4185014 -1.8805769 -0.8930390 3.1329285 27 C 0.4441659 -0.3826509 -1.9893344 -0.5641711 -0.3257587 1.4185014 -1.8805769 0.8930390 3.1329285 28 C 0.4441659 0.3826509 -1.9893344 0.5641711 -0.3257587 -1.4185014 -1.8805769 -0.8930390 3.1329285 29 Ho 4.5579047 0.1074773 0.0330824 -0.2245719 4.7810798 0.3014361 0.0945519 0.4822026 6.3836540 30 Ho 4.5579047 -0.1074773 0.0330824 0.2245719 4.7810798 -0.3014361 0.0945519 -0.4822026 6.3836540 31 Ho 4.5579047 0.1074773 0.0330824 -0.2245719 4.7810798 0.3014361 0.0945519 0.4822026 6.3836540 32 Ho 4.5579047 -0.1074773 0.0330824 0.2245719 4.7810798 -0.3014361 0.0945519 -0.4822026 6.3836540 33 Ho 3.5972808 -0.3395156 -0.0283461 0.1024203 3.1983877 0.0212345 0.1987292 -0.0375034 2.4984442 34 Ho 3.5972808 0.3395156 -0.0283461 -0.1024203 3.1983877 -0.0212345 0.1987292 0.0375034 2.4984442 35 Ho 3.5972808 -0.3395156 -0.0283461 0.1024203 3.1983877 0.0212345 0.1987292 -0.0375034 2.4984442 36 Ho 3.5972808 0.3395156 -0.0283461 -0.1024203 3.1983877 -0.0212345 0.1987292 0.0375034 2.4984442 37 Ho 3.5092814 -0.5515782 0.3108356 0.0649902 3.8158497 0.1378097 0.0424741 -0.5305434 4.5189725 38 Ho 3.5092814 0.5515782 0.3108356 -0.0649902 3.8158497 -0.1378097 0.0424741 0.5305434 4.5189725 39 Ho 3.5092814 -0.5515782 0.3108356 0.0649902 3.8158497 0.1378097 0.0424741 -0.5305434 4.5189725 40 Ho 3.5092814 0.5515782 0.3108356 -0.0649902 3.8158497 -0.1378097 0.0424741 0.5305434 4.5189725 41 Ho 4.4706044 -0.4888213 -0.5982793 -0.1355271 4.1578582 0.2424327 0.4045477 0.3882603 5.8468879 42 Ho 4.4706044 0.4888213 -0.5982793 0.1355271 4.1578582 -0.2424327 0.4045477 -0.3882603 5.8468879 43 Ho 4.4706044 -0.4888213 -0.5982793 -0.1355271 4.1578582 0.2424327 0.4045477 0.3882603 5.8468879 44 Ho 4.4706044 0.4888213 -0.5982793 0.1355271 4.1578582 -0.2424327 0.4045477 -0.3882603 5.8468879 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 26466/26466 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6666 Number of blocks in projector: 6666 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: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1452 / 1452 (1) 430 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1452 / 1452 (1) 430 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1452 / 1452 (1) 439 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (6666, 6568), data: False |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (1452, 1431), data: False |-- (1452, 30), data: (1452, 51) @ (51, 30) |-- (452, 439), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True |-- (1452, 1430), data: False |-- (1452, 40), data: (1452, 62) @ (62, 40) |-- (452, 430), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (1452, 1430), data: False |-- (1452, 40), data: (1452, 62) @ (62, 40) |-- (452, 430), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1360 - Time: 2.035 Solver_block: 200 / 1360 - Time: 1.787 Solver_block: 300 / 1360 - Time: 1.793 Solver_block: 400 / 1360 - Time: 1.793 Solver_block: 500 / 1360 - Time: 1.792 Solver_block: 600 / 1360 - Time: 1.797 Solver_block: 700 / 1360 - Time: 1.800 Solver_block: 800 / 1360 - Time: 1.800 Solver_block: 900 / 1360 - Time: 1.791 Solver_block: 1000 / 1360 - Time: 1.796 Solver_block: 1100 / 1360 - Time: 1.796 Solver_block: 1200 / 1360 - Time: 1.794 Solver_block: 1300 / 1360 - Time: 1.795 Solver_block: 1360 / 1360 - Time: 1.190 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.475 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 396/396 Permutation basis: 26466/26466 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6666 Number of blocks in projector: 6666 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: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1452 / 1452 (1) 430 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1452 / 1452 (1) 430 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1452 / 1452 (1) 439 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (6666, 6568), data: False |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (1452, 1431), data: False |-- (1452, 30), data: (1452, 51) @ (51, 30) |-- (452, 439), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True |-- (1452, 1430), data: False |-- (1452, 40), data: (1452, 62) @ (62, 40) |-- (452, 430), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (1452, 1430), data: False |-- (1452, 40), data: (1452, 62) @ (62, 40) |-- (452, 430), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:46:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:46:10]------------------------- 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): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.638194830015122 0.000000000000000 0.000000000000000 b 0.000000000000000 12.356165080000000 0.000000000000000 c -2.096186574832505 0.000000000000000 13.458607383986571 Atomic positions (fractional): 1 C 0.20417744727643 0.88255343311990 0.94987734370473 12.011 2 C 0.79582255272357 0.38255343311990 0.55012265629527 12.011 3 C 0.79582255272357 0.11744656688010 0.05012265629527 12.011 4 C 0.20417744727643 0.61744656688010 0.44987734370473 12.011 5 C 0.15990591219511 0.36227349212565 0.32414629147851 12.011 6 C 0.84009408780489 0.86227349212565 0.17585370852149 12.011 7 C 0.84009408780489 0.63772650787435 0.67585370852149 12.011 8 C 0.15990591219511 0.13772650787435 0.82414629147851 12.011 9 C 0.76001059610674 0.11129136604770 0.45401168003065 12.011 10 C 0.23998940389326 0.61129136604770 0.04598831996935 12.011 11 C 0.23998940389326 0.88870863395230 0.54598831996935 12.011 12 C 0.76001059610674 0.38870863395230 0.95401168003065 12.011 13 C 0.41363308499162 0.08297888946499 0.27017626500761 12.011 14 C 0.58636691500838 0.58297888946499 0.22982373499239 12.011 15 C 0.58636691500838 0.91702111053501 0.72982373499239 12.011 16 C 0.41363308499162 0.41702111053501 0.77017626500761 12.011 17 C 0.38028249825217 0.32825469279076 0.15097379288933 12.011 18 C 0.61971750174783 0.82825469279076 0.34902620711067 12.011 19 C 0.61971750174783 0.67174530720924 0.84902620711067 12.011 20 C 0.38028249825217 0.17174530720924 0.65097379288933 12.011 21 C 0.58839892442659 0.10553445507613 0.36102922254976 12.011 22 C 0.41160107557341 0.60553445507613 0.13897077745024 12.011 23 C 0.41160107557341 0.89446554492387 0.63897077745024 12.011 24 C 0.58839892442659 0.39446554492387 0.86102922254976 12.011 25 C 0.30988403039648 0.34955073967258 0.24322856274748 12.011 26 C 0.69011596960352 0.84955073967258 0.25677143725252 12.011 27 C 0.69011596960352 0.65044926032742 0.75677143725252 12.011 28 C 0.30988403039648 0.15044926032742 0.74322856274748 12.011 29 Ho 0.30085167291020 0.98472759651351 0.10724037357691 164.930 30 Ho 0.69914832708980 0.48472759651351 0.39275962642309 164.930 31 Ho 0.69914832708980 0.01527240348649 0.89275962642309 164.930 32 Ho 0.30085167291020 0.51527240348649 0.60724037357691 164.930 33 Ho 0.11864480529265 0.96172617031709 0.38023385629480 164.930 34 Ho 0.88135519470735 0.46172617031709 0.11976614370520 164.930 35 Ho 0.88135519470735 0.03827382968291 0.61976614370520 164.930 36 Ho 0.11864480529265 0.53827382968291 0.88023385629480 164.930 37 Ho 0.87166178437835 0.19606512814058 0.21025871791397 164.930 38 Ho 0.12833821562165 0.69606512814058 0.28974128208603 164.930 39 Ho 0.12833821562165 0.80393487185942 0.78974128208603 164.930 40 Ho 0.87166178437835 0.30393487185942 0.71025871791397 164.930 41 Ho 0.26628857194894 0.23864959134438 0.99245188081344 164.930 42 Ho 0.73371142805107 0.73864959134438 0.50754811918656 164.930 43 Ho 0.73371142805107 0.76135040865562 0.00754811918656 164.930 44 Ho 0.26628857194894 0.26135040865562 0.49245188081344 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.914584490045366 0.000000000000000 0.000000000000000 b 0.000000000000000 12.356165080000000 0.000000000000000 c -2.096186574832505 0.000000000000000 13.458607383986571 Atomic positions (fractional): 1 C 0.06805914909214 0.88255343311990 0.94987734370473 12.011 > 1 2 C 0.40139248242548 0.88255343311990 0.94987734370473 12.011 > 1 3 C 0.73472581575881 0.88255343311990 0.94987734370473 12.011 > 1 4 C 0.26527418424119 0.38255343311990 0.55012265629527 12.011 > 4 5 C 0.59860751757452 0.38255343311990 0.55012265629527 12.011 > 4 6 C 0.93194085090786 0.38255343311990 0.55012265629527 12.011 > 4 7 C 0.26527418424119 0.11744656688010 0.05012265629527 12.011 > 7 8 C 0.59860751757452 0.11744656688010 0.05012265629527 12.011 > 7 9 C 0.93194085090786 0.11744656688010 0.05012265629527 12.011 > 7 10 C 0.06805914909214 0.61744656688010 0.44987734370473 12.011 > 10 11 C 0.40139248242548 0.61744656688010 0.44987734370473 12.011 > 10 12 C 0.73472581575881 0.61744656688010 0.44987734370473 12.011 > 10 13 C 0.05330197073170 0.36227349212565 0.32414629147851 12.011 > 13 14 C 0.38663530406504 0.36227349212565 0.32414629147851 12.011 > 13 15 C 0.71996863739837 0.36227349212565 0.32414629147851 12.011 > 13 16 C 0.28003136260163 0.86227349212565 0.17585370852149 12.011 > 16 17 C 0.61336469593496 0.86227349212565 0.17585370852149 12.011 > 16 18 C 0.94669802926830 0.86227349212565 0.17585370852149 12.011 > 16 19 C 0.28003136260163 0.63772650787435 0.67585370852149 12.011 > 19 20 C 0.61336469593496 0.63772650787435 0.67585370852149 12.011 > 19 21 C 0.94669802926830 0.63772650787435 0.67585370852149 12.011 > 19 22 C 0.05330197073170 0.13772650787435 0.82414629147851 12.011 > 22 23 C 0.38663530406504 0.13772650787435 0.82414629147851 12.011 > 22 24 C 0.71996863739837 0.13772650787435 0.82414629147851 12.011 > 22 25 C 0.25333686536891 0.11129136604770 0.45401168003065 12.011 > 25 26 C 0.58667019870225 0.11129136604770 0.45401168003065 12.011 > 25 27 C 0.92000353203558 0.11129136604770 0.45401168003065 12.011 > 25 28 C 0.07999646796442 0.61129136604770 0.04598831996935 12.011 > 28 29 C 0.41332980129775 0.61129136604770 0.04598831996935 12.011 > 28 30 C 0.74666313463109 0.61129136604770 0.04598831996935 12.011 > 28 31 C 0.07999646796442 0.88870863395230 0.54598831996935 12.011 > 31 32 C 0.41332980129775 0.88870863395230 0.54598831996935 12.011 > 31 33 C 0.74666313463109 0.88870863395230 0.54598831996935 12.011 > 31 34 C 0.25333686536891 0.38870863395230 0.95401168003065 12.011 > 34 35 C 0.58667019870225 0.38870863395230 0.95401168003065 12.011 > 34 36 C 0.92000353203558 0.38870863395230 0.95401168003065 12.011 > 34 37 C 0.13787769499721 0.08297888946499 0.27017626500761 12.011 > 37 38 C 0.47121102833054 0.08297888946499 0.27017626500761 12.011 > 37 39 C 0.80454436166387 0.08297888946499 0.27017626500761 12.011 > 37 40 C 0.19545563833613 0.58297888946499 0.22982373499239 12.011 > 40 41 C 0.52878897166946 0.58297888946499 0.22982373499239 12.011 > 40 42 C 0.86212230500279 0.58297888946499 0.22982373499239 12.011 > 40 43 C 0.19545563833613 0.91702111053501 0.72982373499239 12.011 > 43 44 C 0.52878897166946 0.91702111053501 0.72982373499239 12.011 > 43 45 C 0.86212230500279 0.91702111053501 0.72982373499239 12.011 > 43 46 C 0.13787769499721 0.41702111053501 0.77017626500761 12.011 > 46 47 C 0.47121102833054 0.41702111053501 0.77017626500761 12.011 > 46 48 C 0.80454436166387 0.41702111053501 0.77017626500761 12.011 > 46 49 C 0.12676083275072 0.32825469279076 0.15097379288933 12.011 > 49 50 C 0.46009416608406 0.32825469279076 0.15097379288933 12.011 > 49 51 C 0.79342749941739 0.32825469279076 0.15097379288933 12.011 > 49 52 C 0.20657250058261 0.82825469279076 0.34902620711067 12.011 > 52 53 C 0.53990583391594 0.82825469279076 0.34902620711067 12.011 > 52 54 C 0.87323916724928 0.82825469279076 0.34902620711067 12.011 > 52 55 C 0.20657250058261 0.67174530720924 0.84902620711067 12.011 > 55 56 C 0.53990583391594 0.67174530720924 0.84902620711067 12.011 > 55 57 C 0.87323916724928 0.67174530720924 0.84902620711067 12.011 > 55 58 C 0.12676083275072 0.17174530720924 0.65097379288933 12.011 > 58 59 C 0.46009416608406 0.17174530720924 0.65097379288933 12.011 > 58 60 C 0.79342749941739 0.17174530720924 0.65097379288933 12.011 > 58 61 C 0.19613297480886 0.10553445507613 0.36102922254976 12.011 > 61 62 C 0.52946630814220 0.10553445507613 0.36102922254976 12.011 > 61 63 C 0.86279964147553 0.10553445507613 0.36102922254976 12.011 > 61 64 C 0.13720035852447 0.60553445507613 0.13897077745024 12.011 > 64 65 C 0.47053369185780 0.60553445507613 0.13897077745024 12.011 > 64 66 C 0.80386702519114 0.60553445507613 0.13897077745024 12.011 > 64 67 C 0.13720035852447 0.89446554492387 0.63897077745024 12.011 > 67 68 C 0.47053369185780 0.89446554492387 0.63897077745024 12.011 > 67 69 C 0.80386702519114 0.89446554492387 0.63897077745024 12.011 > 67 70 C 0.19613297480886 0.39446554492387 0.86102922254976 12.011 > 70 71 C 0.52946630814220 0.39446554492387 0.86102922254976 12.011 > 70 72 C 0.86279964147553 0.39446554492387 0.86102922254976 12.011 > 70 73 C 0.10329467679883 0.34955073967258 0.24322856274748 12.011 > 73 74 C 0.43662801013216 0.34955073967258 0.24322856274748 12.011 > 73 75 C 0.76996134346549 0.34955073967258 0.24322856274748 12.011 > 73 76 C 0.23003865653451 0.84955073967258 0.25677143725252 12.011 > 76 77 C 0.56337198986784 0.84955073967258 0.25677143725252 12.011 > 76 78 C 0.89670532320117 0.84955073967258 0.25677143725252 12.011 > 76 79 C 0.23003865653451 0.65044926032742 0.75677143725252 12.011 > 79 80 C 0.56337198986784 0.65044926032742 0.75677143725252 12.011 > 79 81 C 0.89670532320117 0.65044926032742 0.75677143725252 12.011 > 79 82 C 0.10329467679883 0.15044926032742 0.74322856274748 12.011 > 82 83 C 0.43662801013216 0.15044926032742 0.74322856274748 12.011 > 82 84 C 0.76996134346549 0.15044926032742 0.74322856274748 12.011 > 82 85 Ho 0.10028389097007 0.98472759651351 0.10724037357691 164.930 > 85 86 Ho 0.43361722430340 0.98472759651351 0.10724037357691 164.930 > 85 87 Ho 0.76695055763673 0.98472759651351 0.10724037357691 164.930 > 85 88 Ho 0.23304944236327 0.48472759651351 0.39275962642309 164.930 > 88 89 Ho 0.56638277569660 0.48472759651351 0.39275962642309 164.930 > 88 90 Ho 0.89971610902993 0.48472759651351 0.39275962642309 164.930 > 88 91 Ho 0.23304944236327 0.01527240348649 0.89275962642309 164.930 > 91 92 Ho 0.56638277569660 0.01527240348649 0.89275962642309 164.930 > 91 93 Ho 0.89971610902993 0.01527240348649 0.89275962642309 164.930 > 91 94 Ho 0.10028389097007 0.51527240348649 0.60724037357691 164.930 > 94 95 Ho 0.43361722430340 0.51527240348649 0.60724037357691 164.930 > 94 96 Ho 0.76695055763673 0.51527240348649 0.60724037357691 164.930 > 94 97 Ho 0.03954826843088 0.96172617031709 0.38023385629480 164.930 > 97 98 Ho 0.37288160176422 0.96172617031709 0.38023385629480 164.930 > 97 99 Ho 0.70621493509755 0.96172617031709 0.38023385629480 164.930 > 97 100 Ho 0.29378506490245 0.46172617031709 0.11976614370520 164.930 > 100 101 Ho 0.62711839823578 0.46172617031709 0.11976614370520 164.930 > 100 102 Ho 0.96045173156912 0.46172617031709 0.11976614370520 164.930 > 100 103 Ho 0.29378506490245 0.03827382968291 0.61976614370520 164.930 > 103 104 Ho 0.62711839823578 0.03827382968291 0.61976614370520 164.930 > 103 105 Ho 0.96045173156912 0.03827382968291 0.61976614370520 164.930 > 103 106 Ho 0.03954826843088 0.53827382968291 0.88023385629480 164.930 > 106 107 Ho 0.37288160176422 0.53827382968291 0.88023385629480 164.930 > 106 108 Ho 0.70621493509755 0.53827382968291 0.88023385629480 164.930 > 106 109 Ho 0.29055392812612 0.19606512814058 0.21025871791397 164.930 > 109 110 Ho 0.62388726145945 0.19606512814058 0.21025871791397 164.930 > 109 111 Ho 0.95722059479278 0.19606512814058 0.21025871791397 164.930 > 109 112 Ho 0.04277940520722 0.69606512814058 0.28974128208603 164.930 > 112 113 Ho 0.37611273854055 0.69606512814058 0.28974128208603 164.930 > 112 114 Ho 0.70944607187388 0.69606512814058 0.28974128208603 164.930 > 112 115 Ho 0.04277940520722 0.80393487185942 0.78974128208603 164.930 > 115 116 Ho 0.37611273854055 0.80393487185942 0.78974128208603 164.930 > 115 117 Ho 0.70944607187388 0.80393487185942 0.78974128208603 164.930 > 115 118 Ho 0.29055392812612 0.30393487185942 0.71025871791397 164.930 > 118 119 Ho 0.62388726145945 0.30393487185942 0.71025871791397 164.930 > 118 120 Ho 0.95722059479278 0.30393487185942 0.71025871791397 164.930 > 118 121 Ho 0.08876285731631 0.23864959134438 0.99245188081344 164.930 > 121 122 Ho 0.42209619064964 0.23864959134438 0.99245188081344 164.930 > 121 123 Ho 0.75542952398298 0.23864959134438 0.99245188081344 164.930 > 121 124 Ho 0.24457047601702 0.73864959134438 0.50754811918656 164.930 > 124 125 Ho 0.57790380935036 0.73864959134438 0.50754811918656 164.930 > 124 126 Ho 0.91123714268369 0.73864959134438 0.50754811918656 164.930 > 124 127 Ho 0.24457047601702 0.76135040865562 0.00754811918656 164.930 > 127 128 Ho 0.57790380935036 0.76135040865562 0.00754811918656 164.930 > 127 129 Ho 0.91123714268369 0.76135040865562 0.00754811918656 164.930 > 127 130 Ho 0.08876285731631 0.26135040865562 0.49245188081344 164.930 > 130 131 Ho 0.42209619064964 0.26135040865562 0.49245188081344 164.930 > 130 132 Ho 0.75542952398298 0.26135040865562 0.49245188081344 164.930 > 130 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.5592478 0.0000000 0.6088265 0.0000000 13.0681722 0.0000000 0.6088257 0.0000000 23.6356576 -------------------------- Born effective charges -------------------------- 1 C -5.7720551 0.3787546 0.0940743 0.3686316 -5.1302657 -0.5959427 -0.3391174 -1.2379994 -6.7356358 2 C -5.7720551 -0.3787546 0.0940743 -0.3686316 -5.1302657 0.5959427 -0.3391174 1.2379994 -6.7356358 3 C -5.7720551 0.3787546 0.0940743 0.3686316 -5.1302657 -0.5959427 -0.3391174 -1.2379994 -6.7356358 4 C -5.7720551 -0.3787546 0.0940743 -0.3686316 -5.1302657 0.5959427 -0.3391174 1.2379994 -6.7356358 5 C -2.5060984 0.2829878 0.6947075 0.3594925 -2.5588623 -0.6089087 0.8124263 -0.1352768 -4.8092401 6 C -2.5060984 -0.2829878 0.6947075 -0.3594925 -2.5588623 0.6089087 0.8124263 0.1352768 -4.8092401 7 C -2.5060984 0.2829878 0.6947075 0.3594925 -2.5588623 -0.6089087 0.8124263 -0.1352768 -4.8092401 8 C -2.5060984 -0.2829878 0.6947075 -0.3594925 -2.5588623 0.6089087 0.8124263 0.1352768 -4.8092401 9 C -2.4159946 -0.0147688 -0.6887642 -0.1624424 -2.0787812 -0.3812597 -0.9283213 0.3117959 -5.4281186 10 C -2.4159946 0.0147688 -0.6887642 0.1624424 -2.0787812 0.3812597 -0.9283213 -0.3117959 -5.4281186 11 C -2.4159946 -0.0147688 -0.6887642 -0.1624424 -2.0787812 -0.3812597 -0.9283213 0.3117959 -5.4281186 12 C -2.4159946 0.0147688 -0.6887642 0.1624424 -2.0787812 0.3812597 -0.9283213 -0.3117959 -5.4281186 13 C -2.8371681 -0.1896063 -0.9102637 -0.1942557 -2.2228151 -0.0813545 -1.3926268 -0.1070304 -5.4954563 14 C -2.8371681 0.1896063 -0.9102637 0.1942557 -2.2228151 0.0813545 -1.3926268 0.1070304 -5.4954563 15 C -2.8371681 -0.1896063 -0.9102637 -0.1942557 -2.2228151 -0.0813545 -1.3926268 -0.1070304 -5.4954563 16 C -2.8371681 0.1896063 -0.9102637 0.1942557 -2.2228151 0.0813545 -1.3926268 0.1070304 -5.4954563 17 C -3.1499811 0.5542516 1.0141607 0.4097644 -2.8537583 -0.9638732 0.7532301 -0.4463811 -4.9480546 18 C -3.1499811 -0.5542516 1.0141607 -0.4097644 -2.8537583 0.9638732 0.7532301 0.4463811 -4.9480546 19 C -3.1499811 0.5542516 1.0141607 0.4097644 -2.8537583 -0.9638732 0.7532301 -0.4463811 -4.9480546 20 C -3.1499811 -0.5542516 1.0141607 -0.4097644 -2.8537583 0.9638732 0.7532301 0.4463811 -4.9480546 21 C 0.1020602 0.5768656 2.0681274 0.3910523 -0.7829341 0.7690839 2.2346831 1.0155065 5.0356182 22 C 0.1020602 -0.5768656 2.0681274 -0.3910523 -0.7829341 -0.7690839 2.2346831 -1.0155065 5.0356182 23 C 0.1020602 0.5768656 2.0681274 0.3910523 -0.7829341 0.7690839 2.2346831 1.0155065 5.0356182 24 C 0.1020602 -0.5768656 2.0681274 -0.3910523 -0.7829341 -0.7690839 2.2346831 -1.0155065 5.0356182 25 C 0.4441659 -0.3826509 -1.9893344 -0.5641711 -0.3257587 1.4185014 -1.8805769 0.8930390 3.1329285 26 C 0.4441659 0.3826509 -1.9893344 0.5641711 -0.3257587 -1.4185014 -1.8805769 -0.8930390 3.1329285 27 C 0.4441659 -0.3826509 -1.9893344 -0.5641711 -0.3257587 1.4185014 -1.8805769 0.8930390 3.1329285 28 C 0.4441659 0.3826509 -1.9893344 0.5641711 -0.3257587 -1.4185014 -1.8805769 -0.8930390 3.1329285 29 Ho 4.5579047 0.1074773 0.0330824 -0.2245719 4.7810798 0.3014361 0.0945519 0.4822026 6.3836540 30 Ho 4.5579047 -0.1074773 0.0330824 0.2245719 4.7810798 -0.3014361 0.0945519 -0.4822026 6.3836540 31 Ho 4.5579047 0.1074773 0.0330824 -0.2245719 4.7810798 0.3014361 0.0945519 0.4822026 6.3836540 32 Ho 4.5579047 -0.1074773 0.0330824 0.2245719 4.7810798 -0.3014361 0.0945519 -0.4822026 6.3836540 33 Ho 3.5972808 -0.3395156 -0.0283461 0.1024203 3.1983877 0.0212345 0.1987292 -0.0375034 2.4984442 34 Ho 3.5972808 0.3395156 -0.0283461 -0.1024203 3.1983877 -0.0212345 0.1987292 0.0375034 2.4984442 35 Ho 3.5972808 -0.3395156 -0.0283461 0.1024203 3.1983877 0.0212345 0.1987292 -0.0375034 2.4984442 36 Ho 3.5972808 0.3395156 -0.0283461 -0.1024203 3.1983877 -0.0212345 0.1987292 0.0375034 2.4984442 37 Ho 3.5092814 -0.5515782 0.3108356 0.0649902 3.8158497 0.1378097 0.0424741 -0.5305434 4.5189725 38 Ho 3.5092814 0.5515782 0.3108356 -0.0649902 3.8158497 -0.1378097 0.0424741 0.5305434 4.5189725 39 Ho 3.5092814 -0.5515782 0.3108356 0.0649902 3.8158497 0.1378097 0.0424741 -0.5305434 4.5189725 40 Ho 3.5092814 0.5515782 0.3108356 -0.0649902 3.8158497 -0.1378097 0.0424741 0.5305434 4.5189725 41 Ho 4.4706044 -0.4888213 -0.5982793 -0.1355271 4.1578582 0.2424327 0.4045477 0.3882603 5.8468879 42 Ho 4.4706044 0.4888213 -0.5982793 0.1355271 4.1578582 -0.2424327 0.4045477 -0.3882603 5.8468879 43 Ho 4.4706044 -0.4888213 -0.5982793 -0.1355271 4.1578582 0.2424327 0.4045477 0.3882603 5.8468879 44 Ho 4.4706044 0.4888213 -0.5982793 0.1355271 4.1578582 -0.2424327 0.4045477 -0.3882603 5.8468879 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 61, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 85, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 109, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 121, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:47:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:47:16]------------------------- 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): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.638194830015122 0.000000000000000 0.000000000000000 b 0.000000000000000 12.356165080000000 0.000000000000000 c -2.096186574832505 0.000000000000000 13.458607383986571 Atomic positions (fractional): 1 C 0.20417744727643 0.88255343311990 0.94987734370473 12.011 2 C 0.79582255272357 0.38255343311990 0.55012265629527 12.011 3 C 0.79582255272357 0.11744656688010 0.05012265629527 12.011 4 C 0.20417744727643 0.61744656688010 0.44987734370473 12.011 5 C 0.15990591219511 0.36227349212565 0.32414629147851 12.011 6 C 0.84009408780489 0.86227349212565 0.17585370852149 12.011 7 C 0.84009408780489 0.63772650787435 0.67585370852149 12.011 8 C 0.15990591219511 0.13772650787435 0.82414629147851 12.011 9 C 0.76001059610674 0.11129136604770 0.45401168003065 12.011 10 C 0.23998940389326 0.61129136604770 0.04598831996935 12.011 11 C 0.23998940389326 0.88870863395230 0.54598831996935 12.011 12 C 0.76001059610674 0.38870863395230 0.95401168003065 12.011 13 C 0.41363308499162 0.08297888946499 0.27017626500761 12.011 14 C 0.58636691500838 0.58297888946499 0.22982373499239 12.011 15 C 0.58636691500838 0.91702111053501 0.72982373499239 12.011 16 C 0.41363308499162 0.41702111053501 0.77017626500761 12.011 17 C 0.38028249825217 0.32825469279076 0.15097379288933 12.011 18 C 0.61971750174783 0.82825469279076 0.34902620711067 12.011 19 C 0.61971750174783 0.67174530720924 0.84902620711067 12.011 20 C 0.38028249825217 0.17174530720924 0.65097379288933 12.011 21 C 0.58839892442659 0.10553445507613 0.36102922254976 12.011 22 C 0.41160107557341 0.60553445507613 0.13897077745024 12.011 23 C 0.41160107557341 0.89446554492387 0.63897077745024 12.011 24 C 0.58839892442659 0.39446554492387 0.86102922254976 12.011 25 C 0.30988403039648 0.34955073967258 0.24322856274748 12.011 26 C 0.69011596960352 0.84955073967258 0.25677143725252 12.011 27 C 0.69011596960352 0.65044926032742 0.75677143725252 12.011 28 C 0.30988403039648 0.15044926032742 0.74322856274748 12.011 29 Ho 0.30085167291020 0.98472759651351 0.10724037357691 164.930 30 Ho 0.69914832708980 0.48472759651351 0.39275962642309 164.930 31 Ho 0.69914832708980 0.01527240348649 0.89275962642309 164.930 32 Ho 0.30085167291020 0.51527240348649 0.60724037357691 164.930 33 Ho 0.11864480529265 0.96172617031709 0.38023385629480 164.930 34 Ho 0.88135519470735 0.46172617031709 0.11976614370520 164.930 35 Ho 0.88135519470735 0.03827382968291 0.61976614370520 164.930 36 Ho 0.11864480529265 0.53827382968291 0.88023385629480 164.930 37 Ho 0.87166178437835 0.19606512814058 0.21025871791397 164.930 38 Ho 0.12833821562165 0.69606512814058 0.28974128208603 164.930 39 Ho 0.12833821562165 0.80393487185942 0.78974128208603 164.930 40 Ho 0.87166178437835 0.30393487185942 0.71025871791397 164.930 41 Ho 0.26628857194894 0.23864959134438 0.99245188081344 164.930 42 Ho 0.73371142805107 0.73864959134438 0.50754811918656 164.930 43 Ho 0.73371142805107 0.76135040865562 0.00754811918656 164.930 44 Ho 0.26628857194894 0.26135040865562 0.49245188081344 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.914584490045366 0.000000000000000 0.000000000000000 b 0.000000000000000 12.356165080000000 0.000000000000000 c -2.096186574832505 0.000000000000000 13.458607383986571 Atomic positions (fractional): 1 C 0.06805914909214 0.88255343311990 0.94987734370473 12.011 > 1 2 C 0.40139248242548 0.88255343311990 0.94987734370473 12.011 > 1 3 C 0.73472581575881 0.88255343311990 0.94987734370473 12.011 > 1 4 C 0.26527418424119 0.38255343311990 0.55012265629527 12.011 > 4 5 C 0.59860751757452 0.38255343311990 0.55012265629527 12.011 > 4 6 C 0.93194085090786 0.38255343311990 0.55012265629527 12.011 > 4 7 C 0.26527418424119 0.11744656688010 0.05012265629527 12.011 > 7 8 C 0.59860751757452 0.11744656688010 0.05012265629527 12.011 > 7 9 C 0.93194085090786 0.11744656688010 0.05012265629527 12.011 > 7 10 C 0.06805914909214 0.61744656688010 0.44987734370473 12.011 > 10 11 C 0.40139248242548 0.61744656688010 0.44987734370473 12.011 > 10 12 C 0.73472581575881 0.61744656688010 0.44987734370473 12.011 > 10 13 C 0.05330197073170 0.36227349212565 0.32414629147851 12.011 > 13 14 C 0.38663530406504 0.36227349212565 0.32414629147851 12.011 > 13 15 C 0.71996863739837 0.36227349212565 0.32414629147851 12.011 > 13 16 C 0.28003136260163 0.86227349212565 0.17585370852149 12.011 > 16 17 C 0.61336469593496 0.86227349212565 0.17585370852149 12.011 > 16 18 C 0.94669802926830 0.86227349212565 0.17585370852149 12.011 > 16 19 C 0.28003136260163 0.63772650787435 0.67585370852149 12.011 > 19 20 C 0.61336469593496 0.63772650787435 0.67585370852149 12.011 > 19 21 C 0.94669802926830 0.63772650787435 0.67585370852149 12.011 > 19 22 C 0.05330197073170 0.13772650787435 0.82414629147851 12.011 > 22 23 C 0.38663530406504 0.13772650787435 0.82414629147851 12.011 > 22 24 C 0.71996863739837 0.13772650787435 0.82414629147851 12.011 > 22 25 C 0.25333686536891 0.11129136604770 0.45401168003065 12.011 > 25 26 C 0.58667019870225 0.11129136604770 0.45401168003065 12.011 > 25 27 C 0.92000353203558 0.11129136604770 0.45401168003065 12.011 > 25 28 C 0.07999646796442 0.61129136604770 0.04598831996935 12.011 > 28 29 C 0.41332980129775 0.61129136604770 0.04598831996935 12.011 > 28 30 C 0.74666313463109 0.61129136604770 0.04598831996935 12.011 > 28 31 C 0.07999646796442 0.88870863395230 0.54598831996935 12.011 > 31 32 C 0.41332980129775 0.88870863395230 0.54598831996935 12.011 > 31 33 C 0.74666313463109 0.88870863395230 0.54598831996935 12.011 > 31 34 C 0.25333686536891 0.38870863395230 0.95401168003065 12.011 > 34 35 C 0.58667019870225 0.38870863395230 0.95401168003065 12.011 > 34 36 C 0.92000353203558 0.38870863395230 0.95401168003065 12.011 > 34 37 C 0.13787769499721 0.08297888946499 0.27017626500761 12.011 > 37 38 C 0.47121102833054 0.08297888946499 0.27017626500761 12.011 > 37 39 C 0.80454436166387 0.08297888946499 0.27017626500761 12.011 > 37 40 C 0.19545563833613 0.58297888946499 0.22982373499239 12.011 > 40 41 C 0.52878897166946 0.58297888946499 0.22982373499239 12.011 > 40 42 C 0.86212230500279 0.58297888946499 0.22982373499239 12.011 > 40 43 C 0.19545563833613 0.91702111053501 0.72982373499239 12.011 > 43 44 C 0.52878897166946 0.91702111053501 0.72982373499239 12.011 > 43 45 C 0.86212230500279 0.91702111053501 0.72982373499239 12.011 > 43 46 C 0.13787769499721 0.41702111053501 0.77017626500761 12.011 > 46 47 C 0.47121102833054 0.41702111053501 0.77017626500761 12.011 > 46 48 C 0.80454436166387 0.41702111053501 0.77017626500761 12.011 > 46 49 C 0.12676083275072 0.32825469279076 0.15097379288933 12.011 > 49 50 C 0.46009416608406 0.32825469279076 0.15097379288933 12.011 > 49 51 C 0.79342749941739 0.32825469279076 0.15097379288933 12.011 > 49 52 C 0.20657250058261 0.82825469279076 0.34902620711067 12.011 > 52 53 C 0.53990583391594 0.82825469279076 0.34902620711067 12.011 > 52 54 C 0.87323916724928 0.82825469279076 0.34902620711067 12.011 > 52 55 C 0.20657250058261 0.67174530720924 0.84902620711067 12.011 > 55 56 C 0.53990583391594 0.67174530720924 0.84902620711067 12.011 > 55 57 C 0.87323916724928 0.67174530720924 0.84902620711067 12.011 > 55 58 C 0.12676083275072 0.17174530720924 0.65097379288933 12.011 > 58 59 C 0.46009416608406 0.17174530720924 0.65097379288933 12.011 > 58 60 C 0.79342749941739 0.17174530720924 0.65097379288933 12.011 > 58 61 C 0.19613297480886 0.10553445507613 0.36102922254976 12.011 > 61 62 C 0.52946630814220 0.10553445507613 0.36102922254976 12.011 > 61 63 C 0.86279964147553 0.10553445507613 0.36102922254976 12.011 > 61 64 C 0.13720035852447 0.60553445507613 0.13897077745024 12.011 > 64 65 C 0.47053369185780 0.60553445507613 0.13897077745024 12.011 > 64 66 C 0.80386702519114 0.60553445507613 0.13897077745024 12.011 > 64 67 C 0.13720035852447 0.89446554492387 0.63897077745024 12.011 > 67 68 C 0.47053369185780 0.89446554492387 0.63897077745024 12.011 > 67 69 C 0.80386702519114 0.89446554492387 0.63897077745024 12.011 > 67 70 C 0.19613297480886 0.39446554492387 0.86102922254976 12.011 > 70 71 C 0.52946630814220 0.39446554492387 0.86102922254976 12.011 > 70 72 C 0.86279964147553 0.39446554492387 0.86102922254976 12.011 > 70 73 C 0.10329467679883 0.34955073967258 0.24322856274748 12.011 > 73 74 C 0.43662801013216 0.34955073967258 0.24322856274748 12.011 > 73 75 C 0.76996134346549 0.34955073967258 0.24322856274748 12.011 > 73 76 C 0.23003865653451 0.84955073967258 0.25677143725252 12.011 > 76 77 C 0.56337198986784 0.84955073967258 0.25677143725252 12.011 > 76 78 C 0.89670532320117 0.84955073967258 0.25677143725252 12.011 > 76 79 C 0.23003865653451 0.65044926032742 0.75677143725252 12.011 > 79 80 C 0.56337198986784 0.65044926032742 0.75677143725252 12.011 > 79 81 C 0.89670532320117 0.65044926032742 0.75677143725252 12.011 > 79 82 C 0.10329467679883 0.15044926032742 0.74322856274748 12.011 > 82 83 C 0.43662801013216 0.15044926032742 0.74322856274748 12.011 > 82 84 C 0.76996134346549 0.15044926032742 0.74322856274748 12.011 > 82 85 Ho 0.10028389097007 0.98472759651351 0.10724037357691 164.930 > 85 86 Ho 0.43361722430340 0.98472759651351 0.10724037357691 164.930 > 85 87 Ho 0.76695055763673 0.98472759651351 0.10724037357691 164.930 > 85 88 Ho 0.23304944236327 0.48472759651351 0.39275962642309 164.930 > 88 89 Ho 0.56638277569660 0.48472759651351 0.39275962642309 164.930 > 88 90 Ho 0.89971610902993 0.48472759651351 0.39275962642309 164.930 > 88 91 Ho 0.23304944236327 0.01527240348649 0.89275962642309 164.930 > 91 92 Ho 0.56638277569660 0.01527240348649 0.89275962642309 164.930 > 91 93 Ho 0.89971610902993 0.01527240348649 0.89275962642309 164.930 > 91 94 Ho 0.10028389097007 0.51527240348649 0.60724037357691 164.930 > 94 95 Ho 0.43361722430340 0.51527240348649 0.60724037357691 164.930 > 94 96 Ho 0.76695055763673 0.51527240348649 0.60724037357691 164.930 > 94 97 Ho 0.03954826843088 0.96172617031709 0.38023385629480 164.930 > 97 98 Ho 0.37288160176422 0.96172617031709 0.38023385629480 164.930 > 97 99 Ho 0.70621493509755 0.96172617031709 0.38023385629480 164.930 > 97 100 Ho 0.29378506490245 0.46172617031709 0.11976614370520 164.930 > 100 101 Ho 0.62711839823578 0.46172617031709 0.11976614370520 164.930 > 100 102 Ho 0.96045173156912 0.46172617031709 0.11976614370520 164.930 > 100 103 Ho 0.29378506490245 0.03827382968291 0.61976614370520 164.930 > 103 104 Ho 0.62711839823578 0.03827382968291 0.61976614370520 164.930 > 103 105 Ho 0.96045173156912 0.03827382968291 0.61976614370520 164.930 > 103 106 Ho 0.03954826843088 0.53827382968291 0.88023385629480 164.930 > 106 107 Ho 0.37288160176422 0.53827382968291 0.88023385629480 164.930 > 106 108 Ho 0.70621493509755 0.53827382968291 0.88023385629480 164.930 > 106 109 Ho 0.29055392812612 0.19606512814058 0.21025871791397 164.930 > 109 110 Ho 0.62388726145945 0.19606512814058 0.21025871791397 164.930 > 109 111 Ho 0.95722059479278 0.19606512814058 0.21025871791397 164.930 > 109 112 Ho 0.04277940520722 0.69606512814058 0.28974128208603 164.930 > 112 113 Ho 0.37611273854055 0.69606512814058 0.28974128208603 164.930 > 112 114 Ho 0.70944607187388 0.69606512814058 0.28974128208603 164.930 > 112 115 Ho 0.04277940520722 0.80393487185942 0.78974128208603 164.930 > 115 116 Ho 0.37611273854055 0.80393487185942 0.78974128208603 164.930 > 115 117 Ho 0.70944607187388 0.80393487185942 0.78974128208603 164.930 > 115 118 Ho 0.29055392812612 0.30393487185942 0.71025871791397 164.930 > 118 119 Ho 0.62388726145945 0.30393487185942 0.71025871791397 164.930 > 118 120 Ho 0.95722059479278 0.30393487185942 0.71025871791397 164.930 > 118 121 Ho 0.08876285731631 0.23864959134438 0.99245188081344 164.930 > 121 122 Ho 0.42209619064964 0.23864959134438 0.99245188081344 164.930 > 121 123 Ho 0.75542952398298 0.23864959134438 0.99245188081344 164.930 > 121 124 Ho 0.24457047601702 0.73864959134438 0.50754811918656 164.930 > 124 125 Ho 0.57790380935036 0.73864959134438 0.50754811918656 164.930 > 124 126 Ho 0.91123714268369 0.73864959134438 0.50754811918656 164.930 > 124 127 Ho 0.24457047601702 0.76135040865562 0.00754811918656 164.930 > 127 128 Ho 0.57790380935036 0.76135040865562 0.00754811918656 164.930 > 127 129 Ho 0.91123714268369 0.76135040865562 0.00754811918656 164.930 > 127 130 Ho 0.08876285731631 0.26135040865562 0.49245188081344 164.930 > 130 131 Ho 0.42209619064964 0.26135040865562 0.49245188081344 164.930 > 130 132 Ho 0.75542952398298 0.26135040865562 0.49245188081344 164.930 > 130 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.5592478 0.0000000 0.6088265 0.0000000 13.0681722 0.0000000 0.6088257 0.0000000 23.6356576 -------------------------- Born effective charges -------------------------- 1 C -5.7720551 0.3787546 0.0940743 0.3686316 -5.1302657 -0.5959427 -0.3391174 -1.2379994 -6.7356358 2 C -5.7720551 -0.3787546 0.0940743 -0.3686316 -5.1302657 0.5959427 -0.3391174 1.2379994 -6.7356358 3 C -5.7720551 0.3787546 0.0940743 0.3686316 -5.1302657 -0.5959427 -0.3391174 -1.2379994 -6.7356358 4 C -5.7720551 -0.3787546 0.0940743 -0.3686316 -5.1302657 0.5959427 -0.3391174 1.2379994 -6.7356358 5 C -2.5060984 0.2829878 0.6947075 0.3594925 -2.5588623 -0.6089087 0.8124263 -0.1352768 -4.8092401 6 C -2.5060984 -0.2829878 0.6947075 -0.3594925 -2.5588623 0.6089087 0.8124263 0.1352768 -4.8092401 7 C -2.5060984 0.2829878 0.6947075 0.3594925 -2.5588623 -0.6089087 0.8124263 -0.1352768 -4.8092401 8 C -2.5060984 -0.2829878 0.6947075 -0.3594925 -2.5588623 0.6089087 0.8124263 0.1352768 -4.8092401 9 C -2.4159946 -0.0147688 -0.6887642 -0.1624424 -2.0787812 -0.3812597 -0.9283213 0.3117959 -5.4281186 10 C -2.4159946 0.0147688 -0.6887642 0.1624424 -2.0787812 0.3812597 -0.9283213 -0.3117959 -5.4281186 11 C -2.4159946 -0.0147688 -0.6887642 -0.1624424 -2.0787812 -0.3812597 -0.9283213 0.3117959 -5.4281186 12 C -2.4159946 0.0147688 -0.6887642 0.1624424 -2.0787812 0.3812597 -0.9283213 -0.3117959 -5.4281186 13 C -2.8371681 -0.1896063 -0.9102637 -0.1942557 -2.2228151 -0.0813545 -1.3926268 -0.1070304 -5.4954563 14 C -2.8371681 0.1896063 -0.9102637 0.1942557 -2.2228151 0.0813545 -1.3926268 0.1070304 -5.4954563 15 C -2.8371681 -0.1896063 -0.9102637 -0.1942557 -2.2228151 -0.0813545 -1.3926268 -0.1070304 -5.4954563 16 C -2.8371681 0.1896063 -0.9102637 0.1942557 -2.2228151 0.0813545 -1.3926268 0.1070304 -5.4954563 17 C -3.1499811 0.5542516 1.0141607 0.4097644 -2.8537583 -0.9638732 0.7532301 -0.4463811 -4.9480546 18 C -3.1499811 -0.5542516 1.0141607 -0.4097644 -2.8537583 0.9638732 0.7532301 0.4463811 -4.9480546 19 C -3.1499811 0.5542516 1.0141607 0.4097644 -2.8537583 -0.9638732 0.7532301 -0.4463811 -4.9480546 20 C -3.1499811 -0.5542516 1.0141607 -0.4097644 -2.8537583 0.9638732 0.7532301 0.4463811 -4.9480546 21 C 0.1020602 0.5768656 2.0681274 0.3910523 -0.7829341 0.7690839 2.2346831 1.0155065 5.0356182 22 C 0.1020602 -0.5768656 2.0681274 -0.3910523 -0.7829341 -0.7690839 2.2346831 -1.0155065 5.0356182 23 C 0.1020602 0.5768656 2.0681274 0.3910523 -0.7829341 0.7690839 2.2346831 1.0155065 5.0356182 24 C 0.1020602 -0.5768656 2.0681274 -0.3910523 -0.7829341 -0.7690839 2.2346831 -1.0155065 5.0356182 25 C 0.4441659 -0.3826509 -1.9893344 -0.5641711 -0.3257587 1.4185014 -1.8805769 0.8930390 3.1329285 26 C 0.4441659 0.3826509 -1.9893344 0.5641711 -0.3257587 -1.4185014 -1.8805769 -0.8930390 3.1329285 27 C 0.4441659 -0.3826509 -1.9893344 -0.5641711 -0.3257587 1.4185014 -1.8805769 0.8930390 3.1329285 28 C 0.4441659 0.3826509 -1.9893344 0.5641711 -0.3257587 -1.4185014 -1.8805769 -0.8930390 3.1329285 29 Ho 4.5579047 0.1074773 0.0330824 -0.2245719 4.7810798 0.3014361 0.0945519 0.4822026 6.3836540 30 Ho 4.5579047 -0.1074773 0.0330824 0.2245719 4.7810798 -0.3014361 0.0945519 -0.4822026 6.3836540 31 Ho 4.5579047 0.1074773 0.0330824 -0.2245719 4.7810798 0.3014361 0.0945519 0.4822026 6.3836540 32 Ho 4.5579047 -0.1074773 0.0330824 0.2245719 4.7810798 -0.3014361 0.0945519 -0.4822026 6.3836540 33 Ho 3.5972808 -0.3395156 -0.0283461 0.1024203 3.1983877 0.0212345 0.1987292 -0.0375034 2.4984442 34 Ho 3.5972808 0.3395156 -0.0283461 -0.1024203 3.1983877 -0.0212345 0.1987292 0.0375034 2.4984442 35 Ho 3.5972808 -0.3395156 -0.0283461 0.1024203 3.1983877 0.0212345 0.1987292 -0.0375034 2.4984442 36 Ho 3.5972808 0.3395156 -0.0283461 -0.1024203 3.1983877 -0.0212345 0.1987292 0.0375034 2.4984442 37 Ho 3.5092814 -0.5515782 0.3108356 0.0649902 3.8158497 0.1378097 0.0424741 -0.5305434 4.5189725 38 Ho 3.5092814 0.5515782 0.3108356 -0.0649902 3.8158497 -0.1378097 0.0424741 0.5305434 4.5189725 39 Ho 3.5092814 -0.5515782 0.3108356 0.0649902 3.8158497 0.1378097 0.0424741 -0.5305434 4.5189725 40 Ho 3.5092814 0.5515782 0.3108356 -0.0649902 3.8158497 -0.1378097 0.0424741 0.5305434 4.5189725 41 Ho 4.4706044 -0.4888213 -0.5982793 -0.1355271 4.1578582 0.2424327 0.4045477 0.3882603 5.8468879 42 Ho 4.4706044 0.4888213 -0.5982793 0.1355271 4.1578582 -0.2424327 0.4045477 -0.3882603 5.8468879 43 Ho 4.4706044 -0.4888213 -0.5982793 -0.1355271 4.1578582 0.2424327 0.4045477 0.3882603 5.8468879 44 Ho 4.4706044 0.4888213 -0.5982793 0.1355271 4.1578582 -0.2424327 0.4045477 -0.3882603 5.8468879 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 14 4 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 283, Lambda: 0.21 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: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 1.448 ( 0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.833 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.943 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 7.624 ( 0.000 0.000 0.000) 0.000 7.683 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 0.000) 0.000 8.859 ( 0.000 0.000 0.000) 0.000 8.978 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 10.142 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.000) 0.000 10.517 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 11.268 ( 0.000 0.000 0.000) 0.000 11.299 ( 0.000 0.000 0.000) 0.000 11.439 ( 0.000 0.000 0.000) 0.000 11.783 ( 0.000 0.000 0.000) 0.000 12.619 ( 0.000 0.000 0.000) 0.000 12.863 ( 0.000 0.000 0.000) 0.000 12.920 ( 0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 13.291 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.418 ( 0.000 0.000 0.000) 0.000 13.880 ( 0.000 0.000 0.000) 0.000 14.110 ( 0.000 0.000 0.000) 0.000 14.186 ( 0.000 0.000 0.000) 0.000 14.190 ( 0.000 0.000 0.000) 0.000 14.202 ( 0.000 0.000 0.000) 0.000 15.169 ( 0.000 0.000 0.000) 0.000 15.857 ( 0.000 0.000 0.000) 0.000 16.078 ( 0.000 0.000 0.000) 0.000 16.263 ( 0.000 0.000 0.000) 0.000 17.346 ( 0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 0.000) 0.000 17.395 ( 0.000 0.000 0.000) 0.000 17.416 ( 0.000 0.000 0.000) 0.000 18.407 ( 0.000 0.000 0.000) 0.000 18.447 ( 0.000 0.000 0.000) 0.000 18.489 ( 0.000 0.000 0.000) 0.000 18.494 ( 0.000 0.000 0.000) 0.000 18.569 ( 0.000 0.000 0.000) 0.000 18.669 ( 0.000 0.000 0.000) 0.000 18.693 ( 0.000 0.000 0.000) 0.000 18.739 ( 0.000 0.000 0.000) 0.000 18.760 ( 0.000 0.000 0.000) 0.000 18.786 ( 0.000 0.000 0.000) 0.000 19.014 ( 0.000 0.000 0.000) 0.000 19.050 ( 0.000 0.000 0.000) 0.000 34.956 ( 0.000 0.000 0.000) 0.000 34.985 ( 0.000 0.000 0.000) 0.000 35.006 ( 0.000 0.000 0.000) 0.000 35.029 ( 0.000 0.000 0.000) 0.000 35.249 ( 0.000 0.000 0.000) 0.000 35.254 ( 0.000 0.000 0.000) 0.000 35.264 ( 0.000 0.000 0.000) 0.000 35.276 ( 0.000 0.000 0.000) 0.000 51.455 ( 0.000 0.000 0.000) 0.000 51.659 ( 0.000 0.000 0.000) 0.000 51.702 ( 0.000 0.000 0.000) 0.000 51.834 ( 0.000 0.000 0.000) 0.000 52.057 ( 0.000 0.000 0.000) 0.000 52.390 ( 0.000 0.000 0.000) 0.000 52.421 ( 0.000 0.000 0.000) 0.000 53.264 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 26.214 0.000 9.855) 28.005 0.570 ( 28.228 0.000 1.709) 28.280 0.974 ( 47.381 0.000 5.121) 47.657 1.529 ( 7.013 0.000 5.672) 9.020 1.576 ( 9.365 0.000 5.305) 10.764 1.707 ( 13.611 0.000 -7.852) 15.714 1.898 ( 7.281 0.000 2.470) 7.689 1.917 ( 9.965 0.000 -9.334) 13.654 2.086 ( 2.912 0.000 0.612) 2.976 2.120 ( 1.402 0.000 -1.137) 1.805 2.159 ( 3.001 0.000 2.402) 3.844 2.398 ( 0.497 0.000 -3.409) 3.445 2.440 ( 2.865 0.000 -3.968) 4.894 2.520 ( 6.061 0.000 0.971) 6.138 2.577 ( 4.649 0.000 -1.712) 4.955 2.615 ( 7.054 0.000 7.218) 10.093 2.709 ( 7.839 0.000 -4.830) 9.207 2.764 ( 4.007 0.000 1.376) 4.237 2.847 ( 0.849 0.000 -3.941) 4.031 2.899 ( 3.666 0.000 0.596) 3.714 2.910 ( 4.213 0.000 -2.451) 4.874 2.920 ( 5.260 0.000 -0.103) 5.261 2.955 ( 2.264 0.000 0.098) 2.266 3.050 ( 3.861 0.000 0.705) 3.924 3.174 ( 0.836 0.000 1.411) 1.640 3.177 ( 3.885 0.000 -0.584) 3.929 3.210 ( 2.237 0.000 -1.219) 2.548 3.217 ( 4.231 0.000 -0.734) 4.294 3.318 ( 1.957 0.000 3.745) 4.226 3.395 ( 6.920 0.000 -5.295) 8.713 3.509 ( 0.302 0.000 0.559) 0.635 3.618 ( 5.596 0.000 -7.790) 9.591 3.693 ( -1.174 0.000 0.135) 1.181 3.740 ( 6.959 0.000 8.082) 10.665 3.816 ( 6.326 0.000 -2.297) 6.730 3.828 ( 2.638 0.000 1.472) 3.021 3.911 ( 0.897 0.000 -0.832) 1.224 4.129 ( -0.093 0.000 -1.569) 1.572 4.135 ( -0.796 0.000 2.492) 2.616 4.444 ( -2.097 0.000 -1.406) 2.525 4.482 ( 1.016 0.000 0.301) 1.059 4.555 ( 0.401 0.000 -3.041) 3.068 4.579 ( 0.270 0.000 1.391) 1.417 4.654 ( -1.914 0.000 0.587) 2.001 4.952 ( -2.668 0.000 1.750) 3.191 4.969 ( -3.858 0.000 -3.950) 5.521 5.103 ( -3.607 0.000 3.961) 5.357 5.422 ( -5.319 0.000 0.032) 5.319 6.802 ( 3.462 0.000 -0.355) 3.480 6.971 ( 2.527 0.000 -1.672) 3.030 7.088 ( 1.898 0.000 2.748) 3.340 7.098 ( 0.884 0.000 0.092) 0.889 7.270 ( 6.040 0.000 -5.922) 8.459 7.451 ( -1.621 0.000 11.431) 11.545 7.707 ( 6.749 0.000 3.063) 7.412 7.749 ( 6.403 0.000 0.538) 6.426 7.924 ( 1.769 0.000 -1.764) 2.498 8.082 ( 5.870 0.000 -1.463) 6.050 8.295 ( -0.610 0.000 2.223) 2.305 8.538 ( 1.109 0.000 -6.710) 6.801 8.576 ( 4.325 0.000 1.950) 4.745 8.761 ( 8.088 0.000 -18.219) 19.933 8.793 ( 7.726 0.000 8.269) 11.317 8.925 ( 6.591 0.000 -3.974) 7.696 9.000 ( 1.649 0.000 0.276) 1.672 9.113 ( 2.293 0.000 -3.914) 4.536 9.145 ( 7.944 0.000 2.978) 8.483 9.407 ( 7.225 0.000 -2.783) 7.742 9.500 ( 14.144 0.000 0.967) 14.177 9.631 ( 3.146 0.000 2.043) 3.752 9.811 ( 8.440 0.000 -3.061) 8.978 9.924 ( 1.839 0.000 -2.764) 3.320 10.146 ( 7.959 0.000 -3.548) 8.714 10.263 ( -3.523 0.000 -1.575) 3.859 10.368 ( 4.710 0.000 -1.318) 4.890 10.438 ( 3.571 0.000 2.902) 4.602 10.439 ( 7.139 0.000 -15.368) 16.945 10.530 ( 1.872 0.000 3.399) 3.881 10.695 ( 14.849 0.000 2.846) 15.119 11.262 ( -0.421 0.000 3.551) 3.576 11.311 ( 1.848 0.000 -1.616) 2.455 11.386 ( -4.419 0.000 8.080) 9.209 11.784 ( 1.743 0.000 -1.959) 2.622 11.870 ( 9.219 0.000 2.970) 9.686 12.667 ( 3.806 0.000 1.957) 4.280 12.855 ( -10.727 0.000 3.365) 11.243 12.925 ( 0.343 0.000 -0.142) 0.371 13.267 ( -7.281 0.000 1.495) 7.433 13.327 ( 3.526 0.000 -27.842) 28.065 13.357 ( 4.007 0.000 -1.588) 4.310 13.600 ( 10.331 0.000 -52.795) 53.796 13.869 ( -1.041 0.000 0.797) 1.311 14.057 ( -11.501 0.000 14.573) 18.564 14.106 ( -6.666 0.000 -12.159) 13.866 14.161 ( -4.007 0.000 3.002) 5.007 14.253 ( 2.307 0.000 -2.094) 3.115 15.298 ( -9.891 0.000 54.600) 55.489 15.823 ( -3.252 0.000 -1.013) 3.406 15.986 ( -8.795 0.000 0.312) 8.801 16.200 ( -6.929 0.000 3.009) 7.555 17.348 ( 0.282 0.000 0.513) 0.585 17.400 ( -0.578 0.000 0.783) 0.973 17.410 ( 1.455 0.000 -0.485) 1.534 17.446 ( 1.237 0.000 1.567) 1.997 18.404 ( -0.389 0.000 0.357) 0.528 18.447 ( -0.133 0.000 1.050) 1.058 18.488 ( -0.600 0.000 -0.401) 0.721 18.500 ( 0.107 0.000 -2.266) 2.269 18.571 ( 0.236 0.000 0.715) 0.753 18.674 ( 0.439 0.000 -0.208) 0.485 18.724 ( -0.728 0.000 -1.970) 2.100 18.738 ( 0.717 0.000 1.447) 1.615 18.803 ( 1.292 0.000 -0.298) 1.326 18.872 ( -2.121 0.000 4.414) 4.897 19.021 ( 0.677 0.000 0.588) 0.897 19.060 ( 0.863 0.000 -0.202) 0.886 34.959 ( 0.134 0.000 0.560) 0.576 34.986 ( 0.253 0.000 -0.814) 0.852 35.010 ( 0.079 0.000 1.225) 1.227 35.038 ( 0.519 0.000 -1.481) 1.569 35.231 ( -0.992 0.000 -0.339) 1.048 35.258 ( -0.900 0.000 0.080) 0.904 35.264 ( 0.283 0.000 -0.329) 0.434 35.273 ( -0.372 0.000 -0.129) 0.394 51.446 ( -0.628 0.000 -1.473) 1.601 51.680 ( -2.073 0.000 -1.512) 2.566 51.828 ( -1.023 0.000 2.359) 2.571 51.876 ( 1.817 0.000 -26.125) 26.188 52.147 ( -12.243 0.000 49.254) 50.753 52.362 ( -3.145 0.000 1.468) 3.470 52.404 ( -2.635 0.000 4.202) 4.960 53.166 ( -9.678 0.000 0.127) 9.679 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 24.383 0.000 9.053) 26.009 1.110 ( 26.138 0.000 1.800) 26.200 1.664 ( 14.266 0.000 -3.089) 14.597 1.826 ( 12.825 0.000 7.673) 14.945 1.933 ( 38.484 0.000 2.352) 38.555 1.999 ( 16.030 0.000 -1.047) 16.064 2.059 ( 8.726 0.000 -5.910) 10.539 2.086 ( 7.821 0.000 -9.728) 12.482 2.203 ( 9.699 0.000 2.151) 9.934 2.208 ( 9.125 0.000 1.656) 9.274 2.284 ( 9.303 0.000 2.745) 9.699 2.454 ( 5.989 0.000 -0.005) 5.989 2.522 ( 6.092 0.000 -0.703) 6.132 2.677 ( 9.044 0.000 -2.503) 9.384 2.704 ( 9.473 0.000 0.310) 9.478 2.761 ( 4.116 0.000 1.672) 4.443 2.845 ( 8.013 0.000 3.698) 8.825 2.865 ( 2.293 0.000 -3.588) 4.258 2.907 ( 8.333 0.000 1.050) 8.399 3.000 ( 6.076 0.000 0.740) 6.121 3.014 ( 6.491 0.000 -2.410) 6.925 3.018 ( 5.526 0.000 -0.589) 5.558 3.075 ( 8.513 0.000 -0.100) 8.513 3.148 ( 6.162 0.000 -1.082) 6.256 3.220 ( 3.834 0.000 2.280) 4.460 3.265 ( 3.439 0.000 0.868) 3.547 3.281 ( 7.249 0.000 -1.431) 7.388 3.317 ( 5.538 0.000 -2.219) 5.966 3.395 ( 4.516 0.000 2.346) 5.089 3.523 ( 1.328 0.000 -1.001) 1.663 3.534 ( 7.564 0.000 -3.973) 8.544 3.691 ( 1.746 0.000 -0.332) 1.778 3.743 ( 7.098 0.000 -2.709) 7.597 3.903 ( 5.332 0.000 0.992) 5.423 3.912 ( 4.748 0.000 4.390) 6.466 3.953 ( 7.212 0.000 -2.047) 7.497 3.955 ( 6.493 0.000 -1.299) 6.621 4.136 ( 2.527 0.000 -2.785) 3.761 4.137 ( 0.766 0.000 4.219) 4.288 4.377 ( -4.072 0.000 -2.563) 4.812 4.533 ( 4.217 0.000 1.607) 4.512 4.545 ( -0.176 0.000 -6.518) 6.521 4.587 ( 0.128 0.000 2.183) 2.187 4.604 ( -3.214 0.000 0.114) 3.216 4.871 ( -4.250 0.000 -1.625) 4.551 4.891 ( -4.001 0.000 2.381) 4.656 5.013 ( -6.582 0.000 4.270) 7.846 5.273 ( -9.578 0.000 -0.019) 9.578 6.906 ( 7.214 0.000 -1.250) 7.321 7.012 ( 1.208 0.000 0.107) 1.213 7.151 ( 5.440 0.000 -0.776) 5.495 7.156 ( 3.423 0.000 2.719) 4.371 7.354 ( 4.624 0.000 -5.507) 7.191 7.475 ( 1.221 0.000 6.843) 6.951 7.870 ( 8.181 0.000 2.946) 8.695 7.900 ( 7.569 0.000 1.002) 7.635 7.978 ( 4.440 0.000 -2.213) 4.961 8.222 ( 8.428 0.000 -2.947) 8.928 8.337 ( 4.495 0.000 2.317) 5.057 8.540 ( 0.878 0.000 -6.821) 6.878 8.645 ( 2.026 0.000 2.690) 3.368 8.841 ( 3.125 0.000 -4.166) 5.208 8.968 ( 5.872 0.000 8.173) 10.064 9.047 ( 3.432 0.000 0.093) 3.433 9.115 ( 14.367 0.000 -0.303) 14.370 9.203 ( 8.742 0.000 -8.998) 12.545 9.397 ( 13.329 0.000 3.847) 13.873 9.566 ( 8.274 0.000 -1.452) 8.401 9.751 ( 8.302 0.000 4.579) 9.481 9.818 ( 16.610 0.000 1.207) 16.654 9.996 ( 5.544 0.000 -0.112) 5.546 10.001 ( 11.360 0.000 -7.319) 13.513 10.205 ( -2.117 0.000 0.676) 2.222 10.282 ( 4.391 0.000 0.853) 4.473 10.463 ( 5.998 0.000 -2.289) 6.420 10.524 ( 5.701 0.000 -6.436) 8.598 10.527 ( 3.911 0.000 1.381) 4.148 10.709 ( 15.370 0.000 0.463) 15.377 11.039 ( 15.236 0.000 1.313) 15.293 11.284 ( -3.150 0.000 5.948) 6.731 11.318 ( 1.514 0.000 1.662) 2.248 11.423 ( 13.050 0.000 -2.412) 13.271 11.905 ( 12.222 0.000 -0.835) 12.251 12.105 ( 13.401 0.000 -5.177) 14.366 12.628 ( -10.068 0.000 6.848) 12.176 12.783 ( 4.689 0.000 -0.782) 4.754 12.920 ( -1.610 0.000 1.028) 1.910 13.087 ( -7.887 0.000 -7.341) 10.775 13.328 ( 0.655 0.000 -5.483) 5.522 13.352 ( -5.547 0.000 -0.507) 5.570 13.641 ( 5.679 0.000 -20.893) 21.651 13.849 ( -13.144 0.000 13.242) 18.658 13.860 ( -0.690 0.000 2.360) 2.458 13.910 ( -6.512 0.000 -16.249) 17.505 14.064 ( -6.161 0.000 0.797) 6.213 14.285 ( 1.599 0.000 -1.044) 1.909 15.265 ( -5.390 0.000 23.002) 23.625 15.729 ( -5.670 0.000 -1.787) 5.945 15.767 ( -12.822 0.000 1.285) 12.886 16.024 ( -11.216 0.000 2.526) 11.497 17.364 ( 1.175 0.000 0.638) 1.337 17.401 ( 0.607 0.000 -0.213) 0.643 17.445 ( 2.100 0.000 -0.054) 2.100 17.474 ( 1.357 0.000 0.182) 1.369 18.395 ( -0.637 0.000 0.588) 0.867 18.447 ( -0.362 0.000 1.526) 1.569 18.471 ( -0.869 0.000 -0.753) 1.150 18.494 ( -0.126 0.000 -1.533) 1.538 18.584 ( 0.692 0.000 1.149) 1.342 18.681 ( 0.309 0.000 -0.913) 0.964 18.707 ( -0.246 0.000 -2.045) 2.059 18.753 ( -0.011 0.000 1.314) 1.314 18.824 ( 1.018 0.000 -0.979) 1.412 18.846 ( -1.172 0.000 2.033) 2.347 19.042 ( 1.160 0.000 1.064) 1.574 19.075 ( 0.604 0.000 -0.507) 0.788 34.964 ( 0.174 0.000 0.990) 1.005 34.991 ( 0.526 0.000 -0.989) 1.120 35.012 ( -0.398 0.000 1.763) 1.807 35.043 ( 0.414 0.000 -1.343) 1.405 35.214 ( -0.617 0.000 -0.296) 0.684 35.238 ( -1.085 0.000 0.105) 1.090 35.260 ( -0.525 0.000 -0.495) 0.721 35.261 ( -0.824 0.000 -0.314) 0.882 51.427 ( -0.630 0.000 -1.584) 1.705 51.613 ( -4.073 0.000 -2.252) 4.654 51.808 ( -1.936 0.000 3.495) 3.995 51.812 ( -2.730 0.000 -9.371) 9.760 52.036 ( -8.998 0.000 18.194) 20.297 52.274 ( -6.267 0.000 1.776) 6.513 52.334 ( -6.005 0.000 4.738) 7.649 52.905 ( -16.102 0.000 -1.175) 16.144 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 21.601 0.000 7.819) 22.973 1.602 ( 23.232 0.000 1.891) 23.309 1.903 ( 13.387 0.000 -6.336) 14.811 2.093 ( 11.626 0.000 6.763) 13.450 2.196 ( 7.734 0.000 -9.803) 12.486 2.210 ( 9.407 0.000 -5.428) 10.861 2.291 ( 13.342 0.000 4.264) 14.007 2.347 ( 11.033 0.000 -0.327) 11.038 2.438 ( 11.784 0.000 1.570) 11.888 2.514 ( 11.819 0.000 0.639) 11.837 2.608 ( 8.794 0.000 1.522) 8.924 2.616 ( 11.403 0.000 -1.004) 11.447 2.795 ( 29.427 0.000 0.980) 29.444 2.807 ( 2.214 0.000 -1.010) 2.433 2.834 ( 7.423 0.000 1.338) 7.542 2.902 ( 5.029 0.000 -1.964) 5.399 2.945 ( 10.365 0.000 -2.116) 10.578 3.032 ( 8.822 0.000 -1.394) 8.931 3.058 ( 6.982 0.000 7.370) 10.152 3.114 ( 4.553 0.000 -0.340) 4.566 3.126 ( 6.386 0.000 -0.804) 6.437 3.135 ( 6.494 0.000 -1.709) 6.715 3.238 ( 7.282 0.000 0.417) 7.294 3.277 ( 7.200 0.000 -0.366) 7.209 3.324 ( 4.420 0.000 1.072) 4.548 3.369 ( 7.114 0.000 3.776) 8.054 3.409 ( 5.130 0.000 -2.333) 5.636 3.454 ( 9.924 0.000 -2.014) 10.126 3.498 ( 5.260 0.000 1.107) 5.376 3.552 ( 1.632 0.000 -0.086) 1.634 3.618 ( 2.306 0.000 1.762) 2.902 3.792 ( 7.784 0.000 -5.021) 9.263 3.831 ( 1.699 0.000 1.145) 2.048 3.932 ( -0.603 0.000 2.991) 3.051 4.025 ( 0.934 0.000 1.095) 1.439 4.030 ( 5.782 0.000 -1.227) 5.910 4.135 ( 10.250 0.000 -4.105) 11.041 4.244 ( 9.357 0.000 1.958) 9.560 4.247 ( 2.982 0.000 -9.478) 9.936 4.293 ( 2.653 0.000 3.265) 4.207 4.492 ( -3.718 0.000 -6.371) 7.376 4.528 ( -3.469 0.000 -4.137) 5.399 4.590 ( 0.996 0.000 3.878) 4.004 4.672 ( 6.116 0.000 5.048) 7.930 4.822 ( -1.380 0.000 1.923) 2.367 4.831 ( -0.800 0.000 0.096) 0.806 4.900 ( -4.210 0.000 3.385) 5.402 5.056 ( -12.260 0.000 -0.221) 12.262 7.026 ( 0.432 0.000 2.465) 2.503 7.066 ( 9.361 0.000 -2.890) 9.797 7.222 ( 2.653 0.000 2.552) 3.681 7.297 ( 8.893 0.000 -0.912) 8.940 7.435 ( 5.035 0.000 -2.431) 5.592 7.539 ( 3.868 0.000 1.815) 4.273 8.026 ( 6.781 0.000 0.800) 6.828 8.035 ( 5.905 0.000 1.228) 6.031 8.077 ( 5.585 0.000 -0.715) 5.631 8.368 ( 6.392 0.000 2.418) 6.835 8.485 ( 10.117 0.000 -4.104) 10.917 8.526 ( 0.155 0.000 -6.715) 6.717 8.689 ( 2.130 0.000 2.974) 3.658 8.876 ( 1.801 0.000 -0.373) 1.839 9.101 ( 5.997 0.000 4.252) 7.351 9.140 ( 5.841 0.000 -1.080) 5.940 9.372 ( 10.603 0.000 -9.058) 13.945 9.413 ( 13.929 0.000 2.143) 14.093 9.626 ( 9.078 0.000 2.738) 9.482 9.706 ( 6.386 0.000 0.395) 6.398 9.962 ( 10.583 0.000 4.633) 11.553 10.083 ( 3.824 0.000 8.372) 9.204 10.124 ( 10.634 0.000 -1.940) 10.809 10.197 ( 1.853 0.000 0.033) 1.854 10.202 ( 11.770 0.000 -6.047) 13.232 10.311 ( -0.309 0.000 -2.185) 2.206 10.576 ( 2.358 0.000 -0.757) 2.477 10.610 ( 8.251 0.000 0.071) 8.251 10.647 ( 6.866 0.000 0.153) 6.868 10.963 ( 5.461 0.000 -6.316) 8.350 11.227 ( -0.010 0.000 10.061) 10.061 11.250 ( 8.688 0.000 -2.825) 9.136 11.491 ( 13.695 0.000 -0.362) 13.699 11.730 ( 11.915 0.000 -1.339) 11.991 12.241 ( 17.386 0.000 3.731) 17.781 12.268 ( 1.379 0.000 -4.172) 4.394 12.525 ( 0.310 0.000 2.454) 2.473 12.875 ( 4.751 0.000 -0.382) 4.767 12.878 ( 0.473 0.000 -0.483) 0.676 12.981 ( -1.216 0.000 -5.908) 6.031 13.184 ( -6.222 0.000 -1.194) 6.335 13.298 ( -3.059 0.000 1.034) 3.229 13.648 ( -7.449 0.000 8.606) 11.382 13.721 ( -7.473 0.000 -7.194) 10.373 13.732 ( 6.319 0.000 -8.685) 10.740 13.873 ( -3.050 0.000 -4.646) 5.558 13.986 ( 1.591 0.000 1.589) 2.249 14.313 ( 1.529 0.000 -0.327) 1.564 15.235 ( -2.917 0.000 11.693) 12.052 15.522 ( -11.769 0.000 0.991) 11.810 15.603 ( -6.195 0.000 -2.115) 6.546 15.802 ( -11.323 0.000 1.524) 11.425 17.396 ( 1.838 0.000 0.838) 2.020 17.419 ( 1.245 0.000 -0.878) 1.523 17.488 ( 2.198 0.000 0.361) 2.228 17.501 ( 1.444 0.000 -0.145) 1.452 18.384 ( -0.618 0.000 0.617) 0.873 18.443 ( -0.490 0.000 1.488) 1.567 18.453 ( -0.600 0.000 -0.976) 1.146 18.486 ( -0.235 0.000 -1.168) 1.191 18.603 ( 0.895 0.000 1.325) 1.599 18.678 ( -0.151 0.000 -1.933) 1.939 18.701 ( -0.051 0.000 -1.201) 1.202 18.739 ( -1.653 0.000 1.636) 2.326 18.837 ( 0.677 0.000 -1.074) 1.269 18.846 ( 0.586 0.000 1.113) 1.258 19.071 ( 1.368 0.000 1.226) 1.837 19.080 ( 0.113 0.000 -0.806) 0.814 34.970 ( 0.039 0.000 1.255) 1.256 35.000 ( 0.656 0.000 -0.771) 1.012 35.004 ( -0.886 0.000 1.526) 1.764 35.044 ( 0.082 0.000 -1.531) 1.533 35.203 ( -0.513 0.000 0.067) 0.517 35.219 ( -0.858 0.000 0.322) 0.916 35.241 ( -1.160 0.000 -0.629) 1.320 35.242 ( -0.877 0.000 -0.361) 0.949 51.414 ( -0.306 0.000 -0.808) 0.864 51.512 ( -5.346 0.000 -1.875) 5.665 51.716 ( -4.997 0.000 -2.812) 5.734 51.774 ( -2.518 0.000 3.399) 4.230 51.920 ( -6.550 0.000 7.016) 9.598 52.134 ( -8.247 0.000 1.149) 8.326 52.200 ( -8.808 0.000 3.687) 9.549 52.558 ( -17.867 0.000 -2.784) 18.083 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 17.382 0.000 5.607) 18.264 2.029 ( 19.515 0.000 2.165) 19.635 2.170 ( 15.647 0.000 -4.450) 16.267 2.308 ( 9.571 0.000 -4.196) 10.450 2.355 ( 10.590 0.000 1.017) 10.638 2.410 ( 11.335 0.000 -1.388) 11.420 2.537 ( 10.126 0.000 3.473) 10.705 2.568 ( 11.389 0.000 1.206) 11.453 2.643 ( 8.782 0.000 -0.876) 8.825 2.698 ( 6.975 0.000 1.319) 7.098 2.751 ( 3.697 0.000 -3.195) 4.886 2.793 ( 8.865 0.000 2.459) 9.200 2.906 ( 9.064 0.000 -1.073) 9.127 2.956 ( 4.162 0.000 0.084) 4.163 2.979 ( 3.924 0.000 -0.465) 3.951 3.066 ( 2.809 0.000 -1.632) 3.249 3.120 ( 6.116 0.000 0.224) 6.120 3.151 ( 3.511 0.000 2.447) 4.279 3.185 ( 4.239 0.000 -2.265) 4.806 3.227 ( 6.756 0.000 -2.573) 7.229 3.241 ( 4.372 0.000 -1.939) 4.782 3.325 ( 4.129 0.000 1.006) 4.249 3.387 ( 4.904 0.000 0.421) 4.922 3.403 ( 4.370 0.000 2.135) 4.864 3.449 ( 5.996 0.000 -0.318) 6.005 3.518 ( 6.342 0.000 -2.338) 6.759 3.558 ( 14.249 0.000 3.934) 14.782 3.578 ( 1.072 0.000 1.200) 1.610 3.608 ( 8.822 0.000 -0.037) 8.822 3.626 ( 7.421 0.000 -2.170) 7.732 3.699 ( 5.694 0.000 3.660) 6.769 3.823 ( -2.829 0.000 3.294) 4.342 3.870 ( 0.791 0.000 -5.190) 5.250 3.925 ( -0.089 0.000 2.213) 2.215 4.042 ( -0.549 0.000 2.889) 2.941 4.151 ( 6.227 0.000 -0.154) 6.229 4.186 ( 0.734 0.000 -3.876) 3.945 4.303 ( 6.848 0.000 -0.182) 6.850 4.371 ( -5.387 0.000 -4.604) 7.086 4.438 ( -2.976 0.000 -2.610) 3.958 4.439 ( 10.633 0.000 -8.997) 13.929 4.506 ( 9.571 0.000 2.139) 9.807 4.623 ( -2.111 0.000 7.672) 7.957 4.755 ( 3.432 0.000 2.961) 4.533 4.792 ( 0.581 0.000 -1.695) 1.792 4.811 ( -9.084 0.000 -0.705) 9.111 4.938 ( 5.071 0.000 2.530) 5.668 4.959 ( 11.056 0.000 0.538) 11.069 7.059 ( 2.037 0.000 4.252) 4.715 7.233 ( 7.316 0.000 -0.566) 7.338 7.301 ( 6.220 0.000 -1.681) 6.444 7.467 ( 8.066 0.000 -0.621) 8.090 7.533 ( 5.156 0.000 0.544) 5.185 7.628 ( 4.566 0.000 -2.118) 5.034 8.138 ( 4.662 0.000 -0.452) 4.684 8.140 ( 4.240 0.000 1.829) 4.618 8.165 ( 3.481 0.000 -2.057) 4.044 8.488 ( 4.733 0.000 3.907) 6.138 8.526 ( 2.122 0.000 -6.125) 6.482 8.664 ( 8.543 0.000 -4.287) 9.558 8.770 ( 5.444 0.000 2.899) 6.168 8.925 ( 3.458 0.000 -0.170) 3.463 9.216 ( 4.046 0.000 3.505) 5.353 9.251 ( 5.491 0.000 -1.935) 5.822 9.545 ( 8.651 0.000 -3.997) 9.530 9.646 ( 10.037 0.000 -3.389) 10.594 9.786 ( 6.658 0.000 3.779) 7.655 9.826 ( 5.872 0.000 0.346) 5.882 10.128 ( 0.309 0.000 8.862) 8.868 10.157 ( 7.162 0.000 0.459) 7.177 10.254 ( 3.168 0.000 1.017) 3.327 10.290 ( -0.063 0.000 0.078) 0.100 10.305 ( 7.102 0.000 -1.906) 7.354 10.441 ( 13.353 0.000 -1.536) 13.441 10.619 ( 3.231 0.000 -3.400) 4.691 10.758 ( 3.267 0.000 0.913) 3.393 10.787 ( 8.690 0.000 2.033) 8.924 10.914 ( -3.558 0.000 -4.727) 5.916 11.330 ( 5.490 0.000 4.446) 7.064 11.396 ( 6.686 0.000 -1.728) 6.906 11.736 ( 8.040 0.000 -0.322) 8.047 11.788 ( -3.380 0.000 -0.733) 3.459 12.117 ( -13.380 0.000 0.384) 13.385 12.233 ( -15.837 0.000 -1.214) 15.883 12.744 ( 13.486 0.000 0.998) 13.522 12.934 ( 1.159 0.000 -6.074) 6.184 12.997 ( 8.831 0.000 -1.000) 8.888 13.009 ( 6.172 0.000 3.340) 7.018 13.252 ( 0.242 0.000 -1.406) 1.427 13.308 ( 16.744 0.000 1.595) 16.819 13.558 ( -6.412 0.000 -1.506) 6.586 13.568 ( -3.171 0.000 8.546) 9.115 13.771 ( -3.852 0.000 -5.207) 6.477 13.889 ( 10.971 0.000 -5.761) 12.391 14.091 ( 6.487 0.000 1.662) 6.696 14.343 ( 1.522 0.000 -0.422) 1.580 15.227 ( -0.435 0.000 5.560) 5.577 15.336 ( -6.936 0.000 0.359) 6.945 15.489 ( -4.396 0.000 -1.537) 4.657 15.609 ( -8.335 0.000 1.028) 8.398 17.438 ( 2.081 0.000 1.012) 2.315 17.440 ( 1.138 0.000 -1.437) 1.834 17.530 ( 1.800 0.000 0.403) 1.844 17.531 ( 1.623 0.000 0.089) 1.626 18.376 ( -0.390 0.000 0.505) 0.638 18.437 ( -0.513 0.000 1.210) 1.314 18.443 ( -0.120 0.000 -1.112) 1.118 18.478 ( -0.276 0.000 -0.665) 0.720 18.625 ( 0.845 0.000 1.315) 1.563 18.667 ( -0.363 0.000 -1.675) 1.714 18.693 ( -0.366 0.000 -1.281) 1.332 18.707 ( -1.977 0.000 1.472) 2.465 18.847 ( 0.641 0.000 -0.748) 0.985 18.868 ( 1.178 0.000 0.936) 1.505 19.076 ( -0.128 0.000 -1.023) 1.031 19.102 ( 1.314 0.000 1.080) 1.701 34.971 ( -0.415 0.000 1.452) 1.510 34.989 ( -0.931 0.000 1.008) 1.372 35.010 ( 0.533 0.000 -0.561) 0.774 35.037 ( -0.283 0.000 -1.401) 1.430 35.191 ( -0.794 0.000 0.183) 0.815 35.208 ( -0.379 0.000 0.568) 0.683 35.215 ( -1.217 0.000 -0.787) 1.449 35.226 ( -0.586 0.000 -0.328) 0.671 51.404 ( -4.845 0.000 -1.010) 4.949 51.411 ( 0.076 0.000 -0.041) 0.087 51.610 ( -5.029 0.000 -0.518) 5.055 51.732 ( -2.630 0.000 2.478) 3.613 51.820 ( -5.352 0.000 2.554) 5.930 51.970 ( -8.308 0.000 0.315) 8.314 52.023 ( -9.654 0.000 2.308) 9.926 52.212 ( -15.880 0.000 -3.077) 16.176 ======================= Grid point 5 (6/90) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 13.410 0.000 2.294) 13.605 2.376 ( 14.956 0.000 2.305) 15.133 2.470 ( 8.583 0.000 -4.187) 9.550 2.481 ( 16.077 0.000 -0.715) 16.093 2.593 ( 12.101 0.000 3.356) 12.558 2.619 ( 9.796 0.000 -0.337) 9.802 2.703 ( 5.830 0.000 0.931) 5.904 2.766 ( 3.443 0.000 3.034) 4.589 2.779 ( 5.419 0.000 -1.668) 5.670 2.792 ( 7.786 0.000 -0.930) 7.841 2.842 ( 6.536 0.000 -0.387) 6.548 2.949 ( 5.711 0.000 1.969) 6.041 3.004 ( 0.334 0.000 -0.200) 0.390 3.033 ( 2.715 0.000 -0.928) 2.869 3.059 ( -0.067 0.000 -3.600) 3.601 3.093 ( 7.255 0.000 -1.060) 7.332 3.209 ( 3.869 0.000 1.548) 4.168 3.219 ( 2.673 0.000 1.886) 3.271 3.248 ( 1.237 0.000 -1.518) 1.958 3.280 ( -0.474 0.000 0.335) 0.581 3.307 ( 3.193 0.000 -2.725) 4.197 3.411 ( 4.461 0.000 0.057) 4.462 3.445 ( 1.431 0.000 -0.446) 1.499 3.457 ( 0.314 0.000 3.115) 3.131 3.481 ( 0.197 0.000 0.953) 0.974 3.571 ( 0.257 0.000 -0.177) 0.312 3.611 ( -2.211 0.000 1.587) 2.721 3.627 ( 3.284 0.000 -0.943) 3.417 3.730 ( 1.773 0.000 2.226) 2.845 3.758 ( -3.063 0.000 -0.327) 3.081 3.793 ( 2.242 0.000 -2.780) 3.571 3.839 ( 4.317 0.000 -1.006) 4.432 3.895 ( 7.062 0.000 -9.415) 11.769 3.932 ( -0.467 0.000 3.077) 3.112 3.997 ( -6.286 0.000 3.632) 7.260 4.244 ( 2.192 0.000 1.011) 2.414 4.257 ( -4.194 0.000 -0.943) 4.299 4.303 ( 8.460 0.000 -2.249) 8.754 4.389 ( 2.439 0.000 0.123) 2.442 4.439 ( 6.680 0.000 2.457) 7.117 4.504 ( -9.860 0.000 1.838) 10.030 4.613 ( 0.597 0.000 4.372) 4.413 4.651 ( 6.845 0.000 -9.541) 11.742 4.688 ( 6.688 0.000 6.341) 9.216 4.864 ( 6.980 0.000 -5.153) 8.676 4.975 ( 11.167 0.000 0.621) 11.184 5.055 ( 5.513 0.000 0.730) 5.561 5.178 ( 10.002 0.000 1.813) 10.165 7.135 ( 4.212 0.000 5.397) 6.846 7.353 ( 5.211 0.000 5.121) 7.306 7.450 ( 9.311 0.000 -9.472) 13.281 7.595 ( 4.884 0.000 -3.577) 6.054 7.636 ( 4.542 0.000 3.302) 5.616 7.674 ( 0.409 0.000 0.139) 0.432 8.206 ( 1.739 0.000 1.754) 2.470 8.209 ( 2.720 0.000 -6.081) 6.661 8.225 ( 5.059 0.000 -1.847) 5.386 8.556 ( 1.527 0.000 -2.949) 3.321 8.581 ( 3.894 0.000 3.613) 5.312 8.786 ( 4.561 0.000 -1.786) 4.898 8.896 ( 5.679 0.000 3.685) 6.770 9.011 ( 5.326 0.000 -0.616) 5.362 9.267 ( -0.108 0.000 2.733) 2.735 9.331 ( 3.078 0.000 -2.177) 3.770 9.674 ( 4.638 0.000 1.828) 4.985 9.806 ( 8.665 0.000 -8.106) 11.866 9.925 ( 6.494 0.000 3.440) 7.349 9.948 ( 6.847 0.000 -0.775) 6.890 10.169 ( 1.401 0.000 7.781) 7.906 10.179 ( -2.172 0.000 -1.995) 2.949 10.292 ( 0.093 0.000 0.464) 0.473 10.371 ( 5.049 0.000 1.318) 5.218 10.409 ( 3.891 0.000 -0.135) 3.894 10.661 ( 5.423 0.000 1.865) 5.735 10.675 ( 3.307 0.000 -4.852) 5.872 10.788 ( 5.255 0.000 0.159) 5.257 10.899 ( 2.027 0.000 -2.859) 3.504 10.955 ( 7.739 0.000 1.687) 7.921 11.435 ( 3.981 0.000 1.165) 4.148 11.488 ( 2.562 0.000 0.634) 2.639 11.672 ( -7.487 0.000 -0.692) 7.519 11.740 ( -9.511 0.000 -2.453) 9.822 11.862 ( -8.555 0.000 3.883) 9.395 11.875 ( -16.238 0.000 -3.621) 16.637 12.879 ( 2.092 0.000 1.522) 2.587 12.930 ( 0.684 0.000 -3.880) 3.940 13.088 ( -0.109 0.000 5.910) 5.911 13.151 ( 3.073 0.000 -1.913) 3.620 13.342 ( 8.435 0.000 -5.592) 10.120 13.454 ( 2.515 0.000 -0.218) 2.525 13.556 ( -0.852 0.000 6.477) 6.533 13.655 ( 3.090 0.000 -1.373) 3.382 13.778 ( 12.783 0.000 0.148) 12.784 14.098 ( 10.537 0.000 -2.060) 10.737 14.216 ( 5.188 0.000 1.563) 5.418 14.366 ( 1.031 0.000 -0.907) 1.373 15.255 ( 2.235 0.000 1.480) 2.681 15.262 ( -0.744 0.000 0.008) 0.744 15.428 ( -1.632 0.000 -0.167) 1.641 15.492 ( -3.760 0.000 0.936) 3.875 17.453 ( 0.707 0.000 -1.449) 1.613 17.482 ( 1.951 0.000 1.068) 2.224 17.559 ( 1.028 0.000 0.109) 1.034 17.564 ( 1.516 0.000 0.269) 1.539 18.372 ( -0.133 0.000 0.346) 0.371 18.430 ( -0.477 0.000 0.814) 0.943 18.440 ( 0.156 0.000 -1.092) 1.103 18.472 ( -0.175 0.000 -0.160) 0.237 18.643 ( 0.620 0.000 1.020) 1.194 18.655 ( -0.434 0.000 -0.962) 1.055 18.675 ( -1.599 0.000 1.178) 1.986 18.680 ( -0.486 0.000 -1.376) 1.459 18.858 ( 0.644 0.000 -0.407) 0.762 18.894 ( 1.180 0.000 0.827) 1.441 19.070 ( -0.144 0.000 -1.028) 1.038 19.128 ( 1.030 0.000 0.768) 1.285 34.962 ( -0.936 0.000 1.453) 1.729 34.975 ( -0.756 0.000 0.494) 0.903 35.016 ( 0.193 0.000 -0.780) 0.804 35.026 ( -0.366 0.000 -0.641) 0.739 35.174 ( -0.823 0.000 -0.105) 0.830 35.193 ( -0.725 0.000 -0.656) 0.978 35.207 ( 0.021 0.000 0.736) 0.736 35.218 ( -0.198 0.000 -0.317) 0.373 51.328 ( -2.363 0.000 -0.265) 2.377 51.417 ( 0.499 0.000 0.224) 0.547 51.520 ( -4.004 0.000 0.295) 4.015 51.689 ( -2.215 0.000 1.165) 2.503 51.714 ( -6.316 0.000 0.507) 6.337 51.822 ( -6.551 0.000 -0.267) 6.556 51.860 ( -6.812 0.000 1.270) 6.930 51.930 ( -11.806 0.000 -1.843) 11.949 ======================= Grid point 6 (7/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 9.605 0.000 0.858) 9.643 2.593 ( 6.471 0.000 -1.772) 6.709 2.647 ( 9.896 0.000 1.389) 9.993 2.749 ( 8.438 0.000 0.830) 8.479 2.780 ( 6.331 0.000 1.838) 6.592 2.790 ( 4.946 0.000 2.419) 5.506 2.805 ( 1.961 0.000 -1.196) 2.297 2.807 ( 5.452 0.000 -0.685) 5.495 2.856 ( 5.430 0.000 1.458) 5.622 2.941 ( 2.000 0.000 -2.090) 2.893 2.958 ( 6.444 0.000 -0.780) 6.491 2.994 ( -0.322 0.000 -0.397) 0.511 2.997 ( -1.197 0.000 -0.730) 1.401 3.031 ( 1.533 0.000 0.521) 1.619 3.097 ( 3.334 0.000 -0.615) 3.391 3.174 ( -2.485 0.000 1.277) 2.794 3.240 ( -0.303 0.000 -0.340) 0.455 3.252 ( 2.323 0.000 -0.010) 2.323 3.285 ( 2.330 0.000 -1.298) 2.667 3.291 ( 2.038 0.000 0.511) 2.101 3.319 ( -1.068 0.000 2.238) 2.480 3.421 ( -2.514 0.000 -2.550) 3.581 3.426 ( -3.599 0.000 0.181) 3.604 3.480 ( -0.373 0.000 1.475) 1.521 3.503 ( 3.385 0.000 -0.999) 3.529 3.554 ( -1.755 0.000 0.791) 1.925 3.591 ( 1.614 0.000 -0.451) 1.675 3.664 ( -4.317 0.000 -0.454) 4.340 3.680 ( 2.145 0.000 1.676) 2.722 3.743 ( 1.441 0.000 -1.077) 1.799 3.831 ( -9.195 0.000 1.471) 9.311 3.869 ( 4.244 0.000 -3.654) 5.600 3.896 ( 1.251 0.000 -1.163) 1.708 3.923 ( -1.277 0.000 4.408) 4.590 4.001 ( 6.420 0.000 -6.147) 8.889 4.180 ( -3.948 0.000 2.136) 4.488 4.184 ( -8.208 0.000 0.191) 8.210 4.386 ( 2.450 0.000 -2.661) 3.618 4.389 ( -0.935 0.000 1.311) 1.611 4.414 ( 0.465 0.000 -0.711) 0.849 4.611 ( 0.078 0.000 2.072) 2.073 4.672 ( 10.794 0.000 2.608) 11.104 4.801 ( 6.657 0.000 -4.001) 7.767 4.803 ( 3.085 0.000 5.498) 6.304 4.991 ( 6.504 0.000 -3.511) 7.391 5.133 ( 2.023 0.000 -0.279) 2.042 5.159 ( 6.865 0.000 -0.493) 6.883 5.341 ( 5.681 0.000 1.414) 5.855 7.254 ( 5.977 0.000 5.647) 8.223 7.471 ( 4.675 0.000 4.208) 6.290 7.565 ( -4.966 0.000 -5.932) 7.736 7.578 ( 6.202 0.000 -8.806) 10.771 7.717 ( 2.727 0.000 2.397) 3.630 7.722 ( 2.733 0.000 4.202) 5.013 8.221 ( -0.302 0.000 0.664) 0.729 8.224 ( 0.927 0.000 -5.368) 5.447 8.343 ( 7.320 0.000 -3.991) 8.337 8.546 ( -2.459 0.000 0.891) 2.616 8.669 ( 3.958 0.000 2.895) 4.904 8.819 ( -0.665 0.000 -0.009) 0.665 9.014 ( 5.382 0.000 3.009) 6.166 9.117 ( 4.985 0.000 -0.531) 5.013 9.230 ( -3.895 0.000 0.800) 3.976 9.358 ( 0.385 0.000 -1.713) 1.756 9.739 ( 1.377 0.000 3.162) 3.449 9.952 ( 8.541 0.000 -5.816) 10.334 10.044 ( 4.184 0.000 0.670) 4.237 10.083 ( 6.355 0.000 0.480) 6.373 10.131 ( -1.527 0.000 -1.446) 2.103 10.227 ( 0.872 0.000 0.383) 0.953 10.256 ( -2.218 0.000 3.998) 4.572 10.395 ( -2.472 0.000 -1.155) 2.729 10.460 ( 1.249 0.000 1.042) 1.626 10.709 ( 1.553 0.000 -3.906) 4.204 10.749 ( 6.250 0.000 2.830) 6.860 10.922 ( 1.041 0.000 1.181) 1.574 10.967 ( 8.383 0.000 -2.550) 8.762 11.093 ( 5.472 0.000 0.910) 5.547 11.442 ( -11.446 0.000 -0.921) 11.483 11.490 ( -3.247 0.000 2.559) 4.134 11.504 ( -1.647 0.000 -0.083) 1.650 11.520 ( -5.303 0.000 -1.152) 5.426 11.645 ( -6.440 0.000 -2.596) 6.943 11.782 ( -2.796 0.000 1.931) 3.398 12.896 ( -0.072 0.000 0.735) 0.739 12.944 ( 1.661 0.000 -2.326) 2.858 13.075 ( -2.061 0.000 3.329) 3.916 13.139 ( -1.275 0.000 -1.493) 1.964 13.473 ( 5.654 0.000 -4.218) 7.054 13.524 ( 2.353 0.000 1.121) 2.606 13.562 ( -0.449 0.000 4.322) 4.345 13.655 ( 0.388 0.000 -1.738) 1.781 14.040 ( 10.184 0.000 0.071) 10.184 14.254 ( 5.030 0.000 0.784) 5.091 14.284 ( 1.114 0.000 1.270) 1.689 14.379 ( 0.824 0.000 -1.649) 1.843 15.287 ( 2.372 0.000 -0.166) 2.378 15.319 ( 3.736 0.000 -0.549) 3.777 15.410 ( -0.828 0.000 0.790) 1.144 15.458 ( -0.476 0.000 0.805) 0.935 17.460 ( 0.320 0.000 -0.871) 0.928 17.519 ( 1.418 0.000 0.894) 1.676 17.570 ( 0.184 0.000 -0.247) 0.308 17.589 ( 0.912 0.000 0.197) 0.934 18.372 ( 0.013 0.000 0.173) 0.173 18.424 ( -0.325 0.000 0.394) 0.511 18.441 ( 0.162 0.000 -0.705) 0.724 18.470 ( -0.061 0.000 0.055) 0.082 18.645 ( -0.332 0.000 -0.359) 0.489 18.647 ( -0.643 0.000 0.329) 0.722 18.662 ( 0.080 0.000 0.907) 0.910 18.669 ( -0.272 0.000 -0.931) 0.970 18.868 ( 0.420 0.000 -0.175) 0.455 18.916 ( 0.752 0.000 0.526) 0.918 19.065 ( -0.078 0.000 -0.678) 0.683 19.145 ( 0.565 0.000 0.393) 0.688 34.948 ( -0.725 0.000 0.900) 1.156 34.963 ( -0.568 0.000 0.195) 0.601 35.011 ( -0.248 0.000 -0.813) 0.850 35.023 ( 0.009 0.000 0.062) 0.063 35.162 ( -0.402 0.000 -0.206) 0.451 35.182 ( -0.297 0.000 -0.352) 0.461 35.211 ( 0.110 0.000 0.696) 0.705 35.215 ( 0.024 0.000 -0.367) 0.368 51.315 ( 0.985 0.000 0.127) 0.994 51.430 ( 0.767 0.000 0.037) 0.768 51.451 ( -3.443 0.000 0.658) 3.505 51.587 ( -5.551 0.000 -0.566) 5.580 51.655 ( -1.326 0.000 -0.060) 1.328 51.720 ( -3.627 0.000 -0.537) 3.667 51.746 ( -6.492 0.000 0.068) 6.493 51.773 ( -2.657 0.000 0.587) 2.721 ======================= Grid point 7 (8/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 -0.000) 0.000 2.773 ( -0.000 0.000 0.000) 0.000 2.795 ( 0.000 0.000 -0.000) 0.000 2.821 ( 0.000 0.000 -0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.845 ( -0.000 0.000 -0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.921 ( -0.000 0.000 -0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 -0.000) 0.000 3.060 ( -0.000 0.000 0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.224 ( -0.000 0.000 -0.000) 0.000 3.251 ( 0.000 0.000 -0.000) 0.000 3.271 ( -0.000 0.000 -0.000) 0.000 3.329 ( 0.000 0.000 -0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.356 ( -0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 -0.000) 0.000 3.437 ( 0.000 0.000 -0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 -0.000) 0.000 3.597 ( -0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 -0.000) 0.000 3.704 ( 0.000 0.000 -0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 -0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.066 ( -0.000 0.000 -0.000) 0.000 4.092 ( 0.000 0.000 -0.000) 0.000 4.110 ( -0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 -0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 -0.000) 0.000 4.862 ( 0.000 0.000 -0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 -0.000) 0.000 5.400 ( 0.000 0.000 0.000) 0.000 7.368 ( -0.000 0.000 -0.000) 0.000 7.457 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 -0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 -0.000) 0.000 8.466 ( -0.000 0.000 0.000) 0.001 8.468 ( 0.001 0.000 -0.000) 0.001 8.730 ( 0.000 0.000 -0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.151 ( -0.000 0.000 -0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 -0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.092 ( -0.000 0.000 -0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.139 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 -0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.471 ( 0.000 0.000 0.000) 0.000 10.717 ( 0.000 0.000 0.000) 0.000 10.854 ( 0.000 0.000 -0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 11.052 ( 0.000 0.000 -0.000) 0.000 11.153 ( 0.000 0.000 0.000) 0.000 11.272 ( 0.000 0.000 0.000) 0.000 11.450 ( -0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 -0.000) 0.000 11.505 ( 0.000 0.000 0.000) 0.000 11.582 ( 0.000 0.000 -0.000) 0.000 11.757 ( 0.000 0.000 0.000) 0.000 12.895 ( 0.000 0.000 0.000) 0.000 12.965 ( 0.000 0.000 -0.000) 0.000 13.052 ( 0.000 0.000 0.000) 0.000 13.124 ( 0.000 0.000 0.000) 0.000 13.526 ( 0.000 0.000 0.000) 0.000 13.545 ( 0.000 0.000 0.000) 0.000 13.561 ( 0.000 0.000 -0.000) 0.000 13.660 ( 0.000 0.000 0.000) 0.000 14.148 ( 0.000 0.000 -0.000) 0.000 14.286 ( 0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 -0.000) 0.000 15.316 ( 0.000 0.000 0.000) 0.000 15.376 ( 0.000 0.000 -0.000) 0.000 15.388 ( -0.000 0.000 0.000) 0.000 15.458 ( 0.000 0.000 -0.000) 0.000 17.461 ( 0.000 0.000 -0.000) 0.000 17.536 ( 0.000 0.000 0.000) 0.000 17.569 ( 0.000 0.000 0.000) 0.000 17.599 ( 0.000 0.000 0.000) 0.000 18.373 ( 0.000 0.000 -0.000) 0.000 18.421 ( 0.000 0.000 0.000) 0.000 18.441 ( 0.000 0.000 0.000) 0.000 18.469 ( 0.000 0.000 0.000) 0.000 18.639 ( 0.000 0.000 -0.000) 0.000 18.641 ( 0.000 0.000 0.000) 0.000 18.665 ( 0.000 0.000 -0.000) 0.000 18.665 ( 0.000 0.000 -0.000) 0.000 18.872 ( 0.000 0.000 0.000) 0.000 18.924 ( 0.000 0.000 0.000) 0.000 19.063 ( 0.000 0.000 -0.000) 0.000 19.152 ( 0.000 0.000 0.000) 0.000 34.942 ( 0.000 0.000 0.000) 0.000 34.957 ( 0.000 0.000 0.000) 0.000 35.007 ( 0.000 0.000 0.000) 0.000 35.024 ( 0.000 0.000 -0.000) 0.000 35.157 ( 0.000 0.000 0.000) 0.000 35.178 ( 0.000 0.000 -0.000) 0.000 35.213 ( 0.000 0.000 -0.000) 0.000 35.215 ( 0.000 0.000 0.000) 0.000 51.347 ( 0.000 0.000 0.000) 0.000 51.396 ( 0.000 0.000 0.000) 0.000 51.440 ( 0.000 0.000 -0.000) 0.000 51.528 ( 0.000 0.000 0.000) 0.000 51.640 ( 0.000 0.000 0.000) 0.000 51.676 ( 0.000 0.000 -0.000) 0.000 51.688 ( -0.000 0.000 0.000) 0.000 51.748 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 15 (9/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 0.000 24.755 0.000) 24.755 0.595 ( 0.000 28.365 0.000) 28.365 0.976 ( 0.000 43.668 0.000) 43.668 1.325 ( 0.000 -8.548 0.000) 8.548 1.447 ( 0.000 -6.438 0.000) 6.438 1.570 ( 0.000 0.319 0.000) 0.319 1.784 ( 0.000 -11.577 0.000) 11.577 1.856 ( 0.000 2.370 0.000) 2.370 1.948 ( 0.000 4.652 0.000) 4.652 2.126 ( 0.000 7.864 0.000) 7.864 2.245 ( 0.000 -4.083 0.000) 4.083 2.360 ( 0.000 -2.926 0.000) 2.926 2.419 ( 0.000 11.974 0.000) 11.974 2.471 ( 0.000 2.869 0.000) 2.869 2.557 ( 0.000 0.582 0.000) 0.582 2.588 ( 0.000 -2.112 0.000) 2.112 2.628 ( 0.000 -0.720 0.000) 0.720 2.648 ( 0.000 -7.930 0.000) 7.930 2.783 ( 0.000 -8.581 0.000) 8.581 2.806 ( 0.000 -8.558 0.000) 8.558 2.841 ( 0.000 -0.615 0.000) 0.615 2.861 ( 0.000 -3.251 0.000) 3.251 2.953 ( 0.000 0.612 0.000) 0.612 2.995 ( 0.000 -12.522 0.000) 12.522 3.060 ( 0.000 6.971 0.000) 6.971 3.105 ( 0.000 0.114 0.000) 0.114 3.109 ( 0.000 -4.269 0.000) 4.269 3.229 ( 0.000 3.222 0.000) 3.222 3.290 ( 0.000 -0.047 0.000) 0.047 3.304 ( 0.000 -3.992 0.000) 3.992 3.368 ( 0.000 5.344 0.000) 5.344 3.531 ( 0.000 -1.549 0.000) 1.549 3.580 ( 0.000 -3.927 0.000) 3.927 3.709 ( 0.000 -0.212 0.000) 0.212 3.723 ( 0.000 -7.371 0.000) 7.371 3.850 ( 0.000 -6.623 0.000) 6.623 3.908 ( 0.000 6.375 0.000) 6.375 4.119 ( 0.000 -3.142 0.000) 3.142 4.366 ( 0.000 15.889 0.000) 15.889 4.405 ( 0.000 1.186 0.000) 1.186 4.454 ( 0.000 -1.238 0.000) 1.238 4.609 ( 0.000 3.673 0.000) 3.673 4.688 ( 0.000 0.700 0.000) 0.700 4.758 ( 0.000 10.006 0.000) 10.006 4.884 ( 0.000 -4.414 0.000) 4.414 5.079 ( 0.000 4.126 0.000) 4.126 5.086 ( 0.000 -4.207 0.000) 4.207 5.403 ( 0.000 -7.084 0.000) 7.084 6.976 ( 0.000 2.588 0.000) 2.588 7.039 ( 0.000 -1.000 0.000) 1.000 7.173 ( 0.000 4.469 0.000) 4.469 7.177 ( 0.000 2.873 0.000) 2.873 7.205 ( 0.000 1.161 0.000) 1.161 7.377 ( 0.000 -5.557 0.000) 5.557 7.514 ( 0.000 2.654 0.000) 2.654 7.627 ( 0.000 -0.943 0.000) 0.943 7.674 ( 0.000 -0.735 0.000) 0.735 7.758 ( 0.000 -7.755 0.000) 7.755 8.148 ( 0.000 4.966 0.000) 4.966 8.277 ( 0.000 -3.059 0.000) 3.059 8.579 ( 0.000 5.376 0.000) 5.376 8.683 ( 0.000 6.319 0.000) 6.319 8.747 ( 0.000 3.921 0.000) 3.921 8.927 ( 0.000 -5.469 0.000) 5.469 9.052 ( 0.000 -2.501 0.000) 2.501 9.055 ( 0.000 1.406 0.000) 1.406 9.320 ( 0.000 -1.607 0.000) 1.607 9.350 ( 0.000 0.021 0.000) 0.021 9.641 ( 0.000 4.285 0.000) 4.285 9.662 ( 0.000 1.990 0.000) 1.990 9.748 ( 0.000 1.210 0.000) 1.210 9.879 ( 0.000 -4.052 0.000) 4.052 10.048 ( 0.000 2.539 0.000) 2.539 10.153 ( 0.000 0.957 0.000) 0.957 10.277 ( 0.000 -7.553 0.000) 7.553 10.302 ( 0.000 -3.900 0.000) 3.900 10.346 ( 0.000 -0.807 0.000) 0.807 10.442 ( 0.000 -5.588 0.000) 5.588 10.688 ( 0.000 7.952 0.000) 7.952 10.795 ( 0.000 1.587 0.000) 1.587 11.259 ( 0.000 0.812 0.000) 0.812 11.397 ( 0.000 -3.800 0.000) 3.800 11.496 ( 0.000 7.951 0.000) 7.951 11.746 ( 0.000 -3.501 0.000) 3.501 12.848 ( 0.000 -2.434 0.000) 2.434 12.874 ( 0.000 0.265 0.000) 0.265 12.957 ( 0.000 1.837 0.000) 1.837 13.145 ( 0.000 -9.191 0.000) 9.191 13.416 ( 0.000 2.644 0.000) 2.644 13.474 ( 0.000 0.899 0.000) 0.899 13.879 ( 0.000 2.780 0.000) 2.780 13.948 ( 0.000 -0.063 0.000) 0.063 14.048 ( 0.000 -3.447 0.000) 3.447 14.142 ( 0.000 -4.300 0.000) 4.300 14.349 ( 0.000 9.679 0.000) 9.679 14.659 ( 0.000 -4.498 0.000) 4.498 15.276 ( 0.000 9.750 0.000) 9.750 15.752 ( 0.000 -9.492 0.000) 9.492 16.228 ( 0.000 1.270 0.000) 1.270 16.260 ( 0.000 -0.312 0.000) 0.312 17.349 ( 0.000 0.227 0.000) 0.227 17.365 ( 0.000 -0.411 0.000) 0.411 17.403 ( 0.000 0.635 0.000) 0.635 17.418 ( 0.000 0.085 0.000) 0.085 18.448 ( 0.000 0.160 0.000) 0.160 18.462 ( 0.000 -0.501 0.000) 0.501 18.493 ( 0.000 0.333 0.000) 0.333 18.500 ( 0.000 0.255 0.000) 0.255 18.582 ( 0.000 1.365 0.000) 1.365 18.668 ( 0.000 -2.077 0.000) 2.077 18.726 ( 0.000 0.467 0.000) 0.467 18.742 ( 0.000 0.067 0.000) 0.067 18.764 ( 0.000 0.470 0.000) 0.470 18.797 ( 0.000 -0.742 0.000) 0.742 19.021 ( 0.000 0.628 0.000) 0.628 19.046 ( 0.000 -0.385 0.000) 0.385 34.961 ( 0.000 0.416 0.000) 0.416 34.982 ( 0.000 -0.347 0.000) 0.347 35.016 ( 0.000 0.049 0.000) 0.049 35.026 ( 0.000 -0.303 0.000) 0.303 35.249 ( 0.000 0.007 0.000) 0.007 35.252 ( 0.000 -0.139 0.000) 0.139 35.267 ( 0.000 0.262 0.000) 0.262 35.275 ( 0.000 -0.091 0.000) 0.091 51.481 ( 0.000 2.546 0.000) 2.546 51.647 ( 0.000 -4.404 0.000) 4.404 51.712 ( 0.000 4.984 0.000) 4.984 51.879 ( 0.000 0.913 0.000) 0.913 52.051 ( 0.000 -0.518 0.000) 0.518 52.188 ( 0.000 -10.772 0.000) 10.772 52.728 ( 0.000 13.869 0.000) 13.869 53.190 ( 0.000 -7.086 0.000) 7.086 ======================= Grid point 16 (10/90) ======================= q-point: ( 0.07 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 16.490 17.856 3.006) 24.491 0.753 ( 17.886 16.672 7.510) 25.579 1.380 ( 19.672 1.930 2.096) 19.877 1.444 ( 20.360 17.934 3.624) 27.374 1.523 ( 6.551 -9.204 1.998) 11.473 1.695 ( 13.125 0.105 -7.736) 15.236 1.836 ( 5.783 -7.277 1.975) 9.503 1.944 ( 8.464 2.734 -2.267) 9.179 2.012 ( 6.591 3.105 -1.248) 7.392 2.170 ( 4.251 5.837 -2.549) 7.658 2.302 ( 6.348 0.101 -1.218) 6.465 2.405 ( 1.251 4.684 -0.698) 4.898 2.431 ( 3.010 3.137 2.320) 4.928 2.497 ( 2.011 -1.060 6.315) 6.712 2.563 ( 1.997 -2.673 -1.378) 3.610 2.669 ( 5.676 0.240 -1.507) 5.878 2.680 ( 6.489 -1.561 -0.191) 6.677 2.711 ( 5.907 -5.439 1.719) 8.211 2.812 ( 3.087 -6.036 -1.822) 7.020 2.851 ( 3.826 -2.319 -1.191) 4.630 2.877 ( 4.977 -6.591 0.531) 8.276 2.923 ( 5.695 -0.453 -0.718) 5.758 2.939 ( 0.895 -3.139 -0.698) 3.338 3.023 ( 2.875 -1.725 -1.634) 3.730 3.134 ( 4.756 -0.261 -2.784) 5.517 3.158 ( 4.644 0.037 0.872) 4.726 3.224 ( 8.202 -2.189 -1.940) 8.708 3.264 ( 6.937 1.441 0.097) 7.086 3.288 ( 0.326 -0.087 3.505) 3.521 3.392 ( 3.837 2.306 0.066) 4.478 3.413 ( 6.948 -3.024 -1.992) 7.835 3.512 ( 0.073 -0.904 -2.395) 2.561 3.621 ( 2.498 -2.882 -0.219) 3.820 3.736 ( 3.865 -0.680 2.508) 4.657 3.771 ( 4.416 -6.544 -0.529) 7.912 3.847 ( -0.582 -6.603 0.470) 6.645 3.926 ( 2.155 5.847 -0.429) 6.246 4.125 ( 0.878 -2.683 -1.589) 3.240 4.365 ( 0.101 15.833 -0.651) 15.847 4.395 ( -0.810 -0.360 -0.336) 0.948 4.433 ( -1.849 -1.008 -0.747) 2.235 4.604 ( -0.716 3.137 1.285) 3.465 4.665 ( -2.143 0.488 -0.244) 2.211 4.756 ( -0.606 9.268 1.795) 9.460 4.853 ( -2.908 -4.478 -0.921) 5.419 5.034 ( -3.249 0.821 -3.192) 4.628 5.069 ( -3.111 -0.594 4.575) 5.564 5.356 ( -4.666 -6.315 0.159) 7.853 6.932 ( -2.574 8.381 0.772) 8.801 7.024 ( 2.133 5.216 -2.072) 6.005 7.069 ( 2.767 -0.157 1.859) 3.337 7.142 ( -0.994 2.174 0.191) 2.398 7.261 ( 3.003 -1.002 -4.320) 5.355 7.406 ( -2.065 -5.237 12.497) 13.706 7.677 ( 7.472 -1.453 -2.604) 8.045 7.748 ( 5.618 -0.180 4.572) 7.245 7.841 ( 8.877 -4.735 -4.871) 11.178 8.007 ( 22.143 -19.986 -5.495) 30.331 8.172 ( 2.808 4.358 -1.962) 5.543 8.287 ( 1.926 -2.230 1.258) 3.204 8.682 ( 0.286 5.399 3.169) 6.266 8.700 ( 8.513 3.103 0.580) 9.079 8.840 ( 7.315 1.032 1.467) 7.532 8.935 ( -0.112 -4.700 0.571) 4.736 9.088 ( 3.618 -0.826 -3.947) 5.417 9.129 ( 5.827 -1.574 1.572) 6.237 9.234 ( 1.862 10.563 0.290) 10.730 9.422 ( 6.956 1.794 -0.011) 7.184 9.648 ( 3.288 5.624 -1.320) 6.647 9.758 ( 8.746 10.631 -0.184) 13.767 9.837 ( 8.706 2.037 -2.200) 9.208 9.879 ( 1.731 -4.019 -0.947) 4.477 10.134 ( 7.700 -0.890 -5.197) 9.332 10.197 ( -0.004 -5.518 -4.562) 7.160 10.295 ( 2.989 -6.696 -1.806) 7.552 10.332 ( 3.558 -2.553 0.653) 4.428 10.430 ( 4.862 -3.899 2.577) 6.743 10.499 ( 5.427 -2.976 6.085) 8.679 10.797 ( 14.656 8.857 -6.460) 18.302 11.155 ( 13.389 -7.721 2.464) 15.651 11.320 ( 7.585 -3.736 0.667) 8.482 11.370 ( -2.384 -2.738 0.158) 3.634 11.548 ( 9.419 0.903 1.325) 9.555 11.770 ( 3.571 -3.699 -0.772) 5.199 12.791 ( -2.874 0.135 -0.219) 2.886 12.859 ( -3.854 1.935 1.002) 4.428 12.962 ( 0.145 2.676 1.113) 2.902 13.182 ( 2.647 -8.330 3.478) 9.406 13.284 ( -9.083 1.308 -1.481) 9.295 13.426 ( -7.237 -1.623 -7.177) 10.321 13.737 ( -1.195 8.345 -23.474) 24.941 13.941 ( -1.728 4.092 -4.075) 6.028 14.030 ( -1.814 -4.377 -6.249) 7.842 14.080 ( -7.436 -1.599 8.524) 11.424 14.261 ( -7.498 8.311 -3.815) 11.826 14.383 ( -9.266 6.693 -12.239) 16.746 15.322 ( -4.476 4.539 30.548) 31.206 15.707 ( -4.654 -9.351 1.644) 10.574 16.090 ( -9.672 5.681 -0.045) 11.217 16.194 ( -6.977 -0.657 2.349) 7.391 17.351 ( 0.284 0.252 0.380) 0.537 17.373 ( 0.599 -1.233 0.587) 1.491 17.423 ( 1.227 0.609 -0.298) 1.402 17.442 ( 1.616 -0.271 0.510) 1.716 18.426 ( -1.520 1.210 0.341) 1.973 18.446 ( -0.353 -0.134 0.942) 1.015 18.491 ( -0.611 0.234 -0.377) 0.755 18.498 ( 0.012 -0.128 -1.535) 1.540 18.588 ( 0.379 1.593 0.826) 1.834 18.679 ( 0.392 -1.177 0.896) 1.530 18.706 ( -0.528 0.290 -1.599) 1.708 18.747 ( 0.280 0.092 0.351) 0.458 18.795 ( 1.429 -0.525 -0.314) 1.555 18.827 ( 0.877 -2.309 2.266) 3.352 19.032 ( 0.752 0.695 0.389) 1.096 19.056 ( 0.869 -0.387 -0.137) 0.961 34.963 ( 0.150 0.411 0.384) 0.582 34.983 ( 0.239 -0.315 -0.569) 0.693 35.014 ( -0.063 0.310 0.870) 0.926 35.032 ( 0.480 -0.472 -0.809) 1.052 35.234 ( -0.901 0.272 -0.296) 0.987 35.251 ( -0.601 -0.483 -0.133) 0.783 35.267 ( 0.001 0.212 -0.319) 0.383 35.273 ( -0.330 -0.056 -0.160) 0.371 51.472 ( -0.768 2.509 -1.244) 2.904 51.629 ( -1.565 -4.192 0.366) 4.490 51.790 ( 2.742 -1.110 -7.596) 8.152 51.870 ( -0.634 -0.650 -7.392) 7.447 52.060 ( -2.622 -1.960 20.303) 20.565 52.208 ( -1.916 -8.149 14.643) 16.867 52.653 ( -6.399 13.720 -0.684) 15.155 53.097 ( -9.195 -6.687 -0.163) 11.371 ======================= Grid point 17 (11/90) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 24.439 5.364 3.336) 25.242 1.176 ( 21.574 8.676 7.432) 24.412 1.618 ( 11.797 -9.163 1.431) 15.006 1.691 ( 10.726 -11.712 2.911) 16.146 1.945 ( 12.898 1.122 -4.630) 13.750 2.017 ( 16.278 3.710 -5.606) 17.612 2.042 ( 19.072 -0.256 2.584) 19.248 2.146 ( 13.780 5.894 -5.110) 15.835 2.222 ( 12.469 2.037 -6.275) 14.107 2.296 ( 14.138 8.886 6.352) 17.866 2.432 ( 5.375 0.084 -2.009) 5.739 2.475 ( 7.546 7.544 0.932) 10.711 2.526 ( 7.100 3.515 1.815) 8.127 2.583 ( 4.752 -6.193 1.899) 8.033 2.669 ( 9.551 -0.147 2.249) 9.813 2.782 ( 5.668 -0.485 -0.039) 5.689 2.828 ( 6.583 -2.154 -0.477) 6.943 2.846 ( 6.572 -2.642 4.176) 8.223 2.909 ( 6.961 -5.745 -0.340) 9.032 2.936 ( 6.732 1.620 -0.774) 6.967 3.016 ( 6.734 2.220 0.251) 7.095 3.047 ( 7.999 -3.162 -0.655) 8.627 3.064 ( 9.811 -3.660 -0.678) 10.493 3.109 ( 7.161 -0.939 -2.208) 7.553 3.234 ( 5.466 -1.862 -0.644) 5.810 3.262 ( 6.168 2.543 -1.774) 6.903 3.298 ( 3.803 3.022 0.195) 4.861 3.324 ( 2.992 1.320 0.616) 3.328 3.468 ( 3.926 3.170 0.563) 5.078 3.496 ( 2.984 -1.953 -2.004) 4.090 3.517 ( 10.705 -2.252 -0.448) 10.948 3.607 ( 8.908 -5.391 -2.435) 10.693 3.669 ( 4.593 -1.990 1.218) 5.152 3.833 ( -0.618 -5.153 1.551) 5.417 3.854 ( 7.304 -3.728 -2.793) 8.663 3.895 ( 7.373 -3.594 2.285) 8.515 4.000 ( 5.840 4.382 -1.606) 7.476 4.140 ( 0.737 0.011 -2.070) 2.198 4.369 ( 0.178 9.391 -4.502) 10.416 4.378 ( -1.543 2.522 1.253) 3.211 4.403 ( 1.831 -2.661 -1.212) 3.450 4.590 ( -1.069 2.002 2.662) 3.498 4.607 ( -3.569 -0.088 -0.477) 3.602 4.737 ( -2.118 8.128 0.059) 8.400 4.781 ( -3.431 -5.390 1.712) 6.615 4.950 ( -4.527 -0.497 0.033) 4.555 4.993 ( -5.289 1.697 2.558) 6.115 5.227 ( -8.324 -4.416 0.186) 9.425 6.974 ( 5.557 5.763 -0.515) 8.022 7.053 ( 0.410 3.640 -0.549) 3.703 7.149 ( 2.496 -0.955 1.986) 3.330 7.171 ( 5.968 1.721 -0.000) 6.211 7.290 ( 2.211 -4.276 -2.309) 5.339 7.451 ( 3.123 -3.457 5.553) 7.248 7.835 ( 8.721 -1.661 -0.497) 8.892 7.881 ( 6.571 -1.700 3.642) 7.703 8.019 ( 9.044 2.599 -3.864) 10.172 8.247 ( 5.406 -0.963 -1.176) 5.616 8.295 ( 10.097 -4.159 -2.330) 11.166 8.385 ( 7.788 -5.909 -4.435) 10.735 8.691 ( -0.022 3.074 2.262) 3.817 8.822 ( 1.963 -0.807 -0.554) 2.193 8.926 ( 4.226 0.475 5.490) 6.944 9.083 ( 13.418 -1.756 2.830) 13.825 9.188 ( 8.081 0.585 -6.116) 10.151 9.209 ( 3.775 1.648 0.146) 4.122 9.430 ( 12.152 6.433 1.980) 13.892 9.602 ( 9.127 2.713 -0.563) 9.538 9.747 ( 7.339 2.376 3.288) 8.385 9.924 ( 7.447 1.091 -2.075) 7.807 9.960 ( 7.368 1.722 -1.249) 7.669 10.057 ( 10.489 2.991 -0.002) 10.907 10.188 ( 2.131 -0.194 -4.080) 4.607 10.284 ( 5.998 -0.539 -0.146) 6.024 10.379 ( 6.265 -6.640 0.334) 9.135 10.406 ( 5.200 -5.612 -3.079) 8.247 10.542 ( 5.374 -0.660 3.745) 6.584 10.693 ( 12.522 -4.056 1.288) 13.225 11.121 ( 15.310 8.323 -3.683) 17.811 11.282 ( 3.571 0.074 1.621) 3.922 11.311 ( -1.330 0.162 2.881) 3.177 11.455 ( 9.490 0.076 -2.365) 9.781 11.867 ( 16.827 -3.272 -0.885) 17.165 11.961 ( 17.271 -8.477 -2.783) 19.439 12.688 ( -7.473 4.661 2.728) 9.220 12.828 ( 1.179 2.907 -1.922) 3.679 12.960 ( -1.415 3.439 2.068) 4.255 13.098 ( -8.012 -0.425 -0.830) 8.066 13.242 ( -0.623 -7.560 1.399) 7.714 13.247 ( -4.754 -5.854 -6.872) 10.202 13.711 ( 2.323 5.095 -15.870) 16.829 13.852 ( -8.473 -0.280 1.608) 8.629 13.909 ( -9.081 2.438 3.587) 10.064 13.954 ( -3.217 1.935 -7.650) 8.522 14.097 ( -7.027 4.691 -0.629) 8.473 14.273 ( -1.648 -1.451 -2.468) 3.303 15.295 ( -4.882 3.486 16.854) 17.890 15.587 ( -7.846 -8.477 1.743) 11.681 15.889 ( -10.516 6.014 0.090) 12.115 16.018 ( -11.040 -0.779 2.053) 11.256 17.367 ( 1.203 0.314 0.614) 1.387 17.391 ( 1.062 -0.797 0.224) 1.346 17.452 ( 1.830 0.559 -0.371) 1.949 17.472 ( 1.424 -0.266 -0.085) 1.451 18.406 ( -0.828 0.953 0.682) 1.435 18.441 ( -0.497 -0.520 1.336) 1.517 18.474 ( -0.791 0.333 -0.748) 1.138 18.490 ( -0.271 -0.298 -1.301) 1.362 18.600 ( 0.514 1.504 1.029) 1.893 18.684 ( -0.113 -1.891 -0.330) 1.922 18.696 ( 0.012 1.235 -1.432) 1.891 18.751 ( -0.295 -0.526 0.530) 0.803 18.818 ( 1.094 -0.220 -0.443) 1.201 18.838 ( 0.166 -0.632 1.185) 1.353 19.050 ( 0.961 0.613 0.699) 1.337 19.072 ( 0.663 -0.314 -0.354) 0.815 34.968 ( 0.147 0.364 0.865) 0.950 34.987 ( 0.294 -0.355 -0.226) 0.513 35.016 ( -0.109 0.379 0.783) 0.876 35.038 ( 0.398 -0.472 -1.054) 1.221 35.217 ( -0.670 0.322 -0.230) 0.779 35.234 ( -0.958 -0.343 0.021) 1.018 35.260 ( -0.670 0.008 -0.413) 0.787 35.261 ( -0.722 0.005 -0.427) 0.839 51.450 ( -0.951 2.193 -1.306) 2.724 51.582 ( -3.237 -2.915 -0.964) 4.462 51.778 ( -1.313 -1.309 -3.134) 3.641 51.806 ( -3.441 -1.202 -4.898) 6.106 52.036 ( -5.348 0.924 14.728) 15.697 52.176 ( -5.143 -5.215 10.542) 12.837 52.493 ( -9.437 10.152 -0.932) 13.892 52.848 ( -15.246 -5.481 -1.434) 16.265 ======================= Grid point 18 (12/90) ======================= q-point: ( 0.21 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 20.745 3.621 7.596) 22.386 1.626 ( 22.478 3.450 1.857) 22.817 1.871 ( 14.337 -5.081 -1.318) 15.267 1.956 ( 14.168 -9.829 4.679) 17.868 2.141 ( 10.406 -0.302 -3.924) 11.126 2.224 ( 8.730 2.075 -9.909) 13.368 2.348 ( 14.005 0.396 1.149) 14.058 2.370 ( 9.524 1.131 -1.973) 9.791 2.460 ( 12.268 1.758 -1.423) 12.475 2.553 ( 7.578 -5.363 -0.699) 9.310 2.589 ( 9.872 1.804 1.063) 10.091 2.631 ( 7.390 5.124 2.608) 9.363 2.709 ( 8.776 -2.207 1.133) 9.120 2.856 ( 16.809 4.006 -0.058) 17.280 2.874 ( 6.596 -0.991 -0.249) 6.674 2.914 ( 6.869 0.330 -0.362) 6.887 2.922 ( 9.687 0.053 1.712) 9.837 3.027 ( 9.021 -1.654 0.293) 9.176 3.071 ( 9.259 -0.648 -1.474) 9.398 3.101 ( 11.877 0.250 4.166) 12.589 3.146 ( 5.757 4.635 1.284) 7.502 3.160 ( 5.431 -0.831 -3.043) 6.280 3.231 ( 5.026 1.097 0.443) 5.163 3.271 ( 7.711 -1.642 -0.906) 7.936 3.362 ( 4.705 3.854 0.813) 6.136 3.368 ( 5.564 -0.688 2.669) 6.209 3.391 ( 9.444 -3.086 -1.831) 10.102 3.446 ( 8.206 2.844 -2.237) 8.968 3.522 ( 1.821 -1.544 -0.352) 2.414 3.556 ( 4.211 2.235 1.397) 4.968 3.638 ( 2.645 1.113 1.561) 3.267 3.749 ( 8.013 -2.263 -3.525) 9.042 3.796 ( 1.589 -3.640 2.465) 4.674 3.873 ( 4.563 -4.750 2.935) 7.211 4.012 ( 8.338 -2.120 -2.395) 8.931 4.050 ( 8.696 -1.761 0.758) 8.905 4.095 ( 0.520 1.139 -2.934) 3.190 4.160 ( 4.737 -0.596 -1.993) 5.173 4.322 ( 1.064 3.915 -6.013) 7.254 4.427 ( 3.208 6.409 0.913) 7.225 4.455 ( 2.608 -2.666 -5.227) 6.421 4.522 ( -4.334 -0.343 -2.560) 5.045 4.597 ( 0.834 1.006 3.892) 4.105 4.711 ( 2.108 2.186 2.219) 3.761 4.750 ( -1.385 -3.001 4.165) 5.317 4.866 ( -3.459 -3.017 2.579) 5.265 4.907 ( -2.764 4.106 -0.242) 4.956 5.040 ( -10.448 -1.638 0.126) 10.577 7.055 ( 0.625 2.726 1.276) 3.074 7.118 ( 8.317 4.419 -1.313) 9.509 7.194 ( 2.198 -2.514 1.312) 3.588 7.323 ( 8.583 -0.347 -0.983) 8.646 7.362 ( 5.593 -1.976 -0.043) 5.933 7.541 ( 4.532 -1.929 1.379) 5.115 8.002 ( 7.997 -0.928 0.380) 8.059 8.021 ( 6.588 -0.971 1.581) 6.844 8.150 ( 5.227 5.056 -1.626) 7.451 8.352 ( 4.814 -2.591 1.285) 5.616 8.477 ( 8.820 -0.916 -6.038) 10.728 8.498 ( 6.135 -0.982 -4.230) 7.517 8.710 ( 1.777 1.983 2.385) 3.575 8.838 ( 1.252 -3.201 0.904) 3.554 9.075 ( 8.118 2.716 2.543) 8.930 9.267 ( 3.055 4.267 -0.523) 5.274 9.362 ( 12.859 -0.958 -5.012) 13.834 9.389 ( 12.727 -1.668 1.676) 12.945 9.628 ( 7.594 1.678 0.565) 7.798 9.742 ( 5.682 1.819 2.148) 6.341 9.949 ( 10.683 0.341 3.285) 11.182 10.052 ( 3.896 -2.613 0.831) 4.764 10.088 ( 5.736 -2.167 0.669) 6.168 10.170 ( 4.791 -0.264 -2.162) 5.263 10.317 ( 9.521 6.213 -2.938) 11.742 10.334 ( 0.968 1.939 0.192) 2.175 10.479 ( 2.407 -6.107 -0.607) 6.592 10.557 ( 9.154 -3.867 1.108) 9.999 10.677 ( 8.140 1.141 2.676) 8.644 10.896 ( 5.317 -6.869 -3.350) 9.310 11.286 ( 1.528 5.095 5.898) 7.942 11.295 ( 5.342 3.792 -3.368) 7.366 11.476 ( 13.324 -0.286 -0.528) 13.338 11.688 ( 9.951 -4.606 -2.087) 11.162 12.234 ( 15.693 -0.377 1.958) 15.819 12.257 ( 9.653 -1.038 -2.375) 9.994 12.588 ( -0.901 5.509 1.552) 5.793 12.788 ( -2.906 -3.231 -2.739) 5.137 12.961 ( 3.230 3.289 2.391) 5.193 13.026 ( 0.311 2.959 -3.923) 4.924 13.143 ( -0.198 -2.771 1.508) 3.161 13.250 ( -1.339 -4.432 1.186) 4.780 13.645 ( -8.163 0.525 -1.969) 8.413 13.697 ( -4.722 -1.066 -1.469) 5.059 13.785 ( -0.623 2.937 -6.665) 7.310 13.867 ( -4.801 -0.925 -3.728) 6.148 14.039 ( 1.742 4.877 0.732) 5.230 14.266 ( 0.951 -4.328 -0.291) 4.441 15.253 ( -3.134 2.006 8.931) 9.676 15.430 ( -7.964 -5.745 0.991) 9.869 15.691 ( -9.311 5.046 -0.329) 10.595 15.799 ( -11.156 -0.535 1.237) 11.237 17.399 ( 1.788 0.272 0.676) 1.931 17.415 ( 1.405 -0.365 -0.473) 1.527 17.491 ( 2.054 0.209 0.126) 2.068 17.500 ( 1.531 -0.146 -0.192) 1.550 18.394 ( -0.650 0.906 0.684) 1.308 18.435 ( -0.545 -0.708 1.103) 1.420 18.458 ( -0.533 0.456 -0.701) 0.992 18.481 ( -0.310 -0.459 -1.055) 1.192 18.614 ( 0.641 1.014 0.971) 1.543 18.676 ( -0.197 -1.297 -1.755) 2.191 18.693 ( -0.274 0.637 -0.092) 0.700 18.736 ( -1.329 -0.558 0.639) 1.576 18.838 ( 0.986 0.195 -0.364) 1.069 18.848 ( 0.596 0.036 0.511) 0.786 19.073 ( 1.121 0.163 0.841) 1.411 19.079 ( 0.280 -0.062 -0.551) 0.621 34.973 ( -0.020 0.259 1.198) 1.226 34.991 ( -0.135 -0.536 0.704) 0.895 35.015 ( -0.023 0.651 -0.137) 0.666 35.039 ( 0.113 -0.412 -1.337) 1.403 35.206 ( -0.579 0.210 0.102) 0.624 35.216 ( -0.816 -0.210 0.274) 0.886 35.241 ( -1.061 0.000 -0.524) 1.183 35.242 ( -0.960 -0.010 -0.466) 1.067 51.429 ( -0.896 1.392 -0.712) 1.802 51.500 ( -4.564 -1.212 -1.390) 4.923 51.711 ( -4.504 -0.334 -2.570) 5.197 51.740 ( -2.527 -2.243 1.283) 3.614 51.954 ( -6.085 2.610 7.809) 10.238 52.078 ( -7.141 -3.401 5.852) 9.839 52.286 ( -11.203 6.101 -0.690) 12.775 52.518 ( -16.954 -3.789 -2.804) 17.597 ======================= Grid point 19 (13/90) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 16.973 2.678 5.922) 18.175 2.042 ( 18.979 1.295 1.907) 19.118 2.175 ( 16.634 -0.591 -0.739) 16.661 2.249 ( 14.135 -5.630 1.826) 15.324 2.340 ( 10.501 -0.002 -3.474) 11.061 2.377 ( 9.955 0.468 -3.758) 10.651 2.533 ( 8.408 -1.858 -2.062) 8.855 2.591 ( 9.073 -4.414 -0.456) 10.100 2.643 ( 8.352 2.318 1.070) 8.733 2.695 ( 6.497 -0.453 -0.028) 6.513 2.760 ( 6.747 5.159 0.676) 8.521 2.801 ( 9.261 0.917 0.992) 9.359 2.904 ( 8.926 -0.769 -1.938) 9.166 2.981 ( 5.509 0.296 1.019) 5.610 2.995 ( 4.949 1.801 0.210) 5.271 3.043 ( 3.917 -1.736 -0.292) 4.295 3.115 ( 4.545 -0.221 1.706) 4.859 3.141 ( 5.502 -2.567 -0.873) 6.134 3.187 ( 3.873 -0.682 -0.897) 4.033 3.226 ( 2.337 -0.691 0.620) 2.514 3.251 ( 4.206 4.023 1.496) 6.010 3.318 ( 6.357 -0.134 -3.903) 7.461 3.365 ( 3.294 -1.760 -0.373) 3.753 3.419 ( 7.558 -0.501 0.248) 7.578 3.427 ( 2.543 0.761 0.292) 2.671 3.528 ( 6.162 0.514 -0.039) 6.183 3.553 ( 3.311 -1.793 1.071) 3.915 3.584 ( 7.265 -2.727 -2.183) 8.062 3.624 ( 12.040 3.841 0.098) 12.638 3.650 ( 5.804 2.729 -0.228) 6.417 3.716 ( 5.184 1.500 3.296) 6.324 3.816 ( 0.520 0.384 3.391) 3.452 3.856 ( 1.543 -2.431 -3.361) 4.426 3.908 ( -1.030 -1.546 2.327) 2.977 4.042 ( -1.473 2.091 0.827) 2.688 4.147 ( 4.675 -1.591 -3.025) 5.791 4.190 ( 3.864 0.242 1.248) 4.068 4.277 ( 8.372 -3.992 2.250) 9.544 4.383 ( -3.381 1.564 -3.923) 5.410 4.429 ( 1.078 0.688 -6.112) 6.244 4.451 ( 4.969 1.774 -2.748) 5.949 4.532 ( 4.634 0.479 -0.207) 4.663 4.630 ( -0.811 1.424 4.395) 4.690 4.748 ( 0.637 -1.830 -1.592) 2.508 4.794 ( 5.038 1.476 1.280) 5.404 4.830 ( -6.520 1.018 -1.020) 6.677 4.921 ( 4.163 -1.032 2.933) 5.196 4.950 ( 9.312 -1.027 1.944) 9.569 7.091 ( 2.455 3.024 4.078) 5.639 7.239 ( 3.447 -1.627 4.657) 6.018 7.301 ( 9.461 2.203 -6.911) 11.922 7.476 ( 7.057 -4.355 -0.203) 8.295 7.500 ( 7.661 2.932 -0.164) 8.205 7.626 ( 3.873 -1.268 -1.114) 4.225 8.136 ( 4.723 0.169 1.446) 4.943 8.141 ( 5.732 0.128 -1.213) 5.861 8.217 ( 2.479 4.336 -1.574) 5.237 8.422 ( 2.377 -4.652 -1.139) 5.347 8.569 ( 5.028 2.542 -1.954) 5.963 8.654 ( 7.886 -1.069 -3.421) 8.662 8.788 ( 5.043 1.763 2.952) 6.103 8.891 ( 3.825 -2.704 0.940) 4.778 9.226 ( 6.095 2.362 0.610) 6.565 9.314 ( 1.765 2.839 -0.613) 3.398 9.568 ( 9.783 2.139 -3.719) 10.682 9.636 ( 11.352 -0.547 -2.141) 11.565 9.755 ( 5.767 -1.317 1.551) 6.116 9.856 ( 5.268 0.233 2.054) 5.659 10.069 ( -0.587 -2.260 5.098) 5.607 10.167 ( 9.366 -0.921 2.670) 9.782 10.189 ( 3.943 -2.628 -0.955) 4.834 10.281 ( 6.064 -2.097 -1.974) 6.713 10.329 ( -0.321 2.231 1.200) 2.553 10.501 ( 4.267 -0.232 -0.828) 4.353 10.528 ( 8.291 -1.586 -2.525) 8.811 10.701 ( 4.483 -3.796 1.954) 6.190 10.858 ( 8.166 3.080 0.722) 8.757 10.919 ( 1.591 -0.129 -1.397) 2.121 11.350 ( 2.965 1.941 2.788) 4.509 11.397 ( 5.636 0.230 -2.807) 6.301 11.698 ( 6.461 -2.340 0.132) 6.872 11.758 ( -1.415 -2.929 -1.716) 3.678 12.144 ( -13.391 2.528 0.626) 13.642 12.231 ( -15.016 -0.561 -1.122) 15.069 12.782 ( 13.445 2.961 0.405) 13.773 12.888 ( 8.280 -2.734 -0.731) 8.751 13.035 ( 3.528 3.297 -0.426) 4.848 13.067 ( 3.303 3.414 2.788) 5.508 13.237 ( 2.667 -0.593 -3.556) 4.484 13.317 ( 15.897 -0.055 1.730) 15.991 13.518 ( -4.584 -1.554 -0.300) 4.850 13.581 ( -5.046 -0.761 5.230) 7.307 13.771 ( -1.898 0.499 -5.521) 5.859 13.864 ( 8.258 -2.323 -5.355) 10.113 14.123 ( 5.447 3.073 1.347) 6.398 14.298 ( 1.947 -4.007 0.036) 4.455 15.235 ( -0.563 0.832 4.369) 4.483 15.304 ( -4.555 -2.290 0.344) 5.110 15.534 ( -6.246 3.222 -0.504) 7.046 15.607 ( -8.241 -0.309 0.823) 8.288 17.438 ( 1.835 0.041 0.270) 1.856 17.440 ( 1.472 0.017 -0.698) 1.629 17.530 ( 1.756 -0.000 0.372) 1.795 17.531 ( 1.598 -0.048 0.120) 1.603 18.385 ( -0.436 0.869 0.504) 1.095 18.427 ( -0.512 -0.786 0.562) 1.093 18.450 ( -0.145 0.500 -0.477) 0.706 18.473 ( -0.240 -0.464 -0.615) 0.806 18.630 ( 0.666 0.515 0.888) 1.224 18.667 ( -0.190 -0.579 -1.382) 1.511 18.682 ( -0.760 -0.000 -0.041) 0.761 18.708 ( -1.593 -0.265 0.333) 1.649 18.853 ( 0.712 0.479 -0.506) 0.996 18.867 ( 1.066 -0.105 0.659) 1.258 19.080 ( 0.093 0.370 -0.701) 0.798 19.098 ( 1.112 -0.326 0.785) 1.399 34.973 ( -0.432 0.157 1.372) 1.447 34.985 ( -0.677 -0.358 1.027) 1.281 35.016 ( 0.242 0.475 -0.652) 0.842 35.034 ( -0.218 -0.278 -1.273) 1.321 35.193 ( -0.788 0.169 0.195) 0.829 35.204 ( -0.639 -0.292 0.305) 0.766 35.218 ( -0.921 0.218 -0.512) 1.076 35.225 ( -0.621 -0.110 -0.352) 0.722 51.405 ( -4.106 0.157 -0.873) 4.201 51.411 ( -1.022 -0.011 -0.185) 1.038 51.618 ( -4.316 0.851 -0.274) 4.407 51.694 ( -2.601 -2.629 1.557) 4.012 51.856 ( -5.621 2.470 3.423) 7.030 51.944 ( -7.440 -1.872 2.621) 8.107 52.062 ( -11.106 3.013 -0.366) 11.513 52.189 ( -15.196 -2.223 -2.925) 15.633 ======================= Grid point 20 (14/90) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 13.122 2.285 2.586) 13.568 2.378 ( 14.333 -0.037 2.894) 14.622 2.483 ( 9.379 1.123 -4.486) 10.457 2.497 ( 15.733 1.093 -0.195) 15.772 2.555 ( 12.256 -2.661 2.725) 12.834 2.587 ( 10.874 -1.562 0.716) 11.009 2.674 ( 6.462 -2.471 -1.989) 7.198 2.725 ( 5.458 -3.657 -0.213) 6.573 2.803 ( 5.403 0.989 1.403) 5.669 2.807 ( 6.614 0.728 0.057) 6.654 2.879 ( 5.323 4.184 -0.005) 6.770 2.958 ( 5.670 1.015 0.187) 5.763 3.001 ( 2.620 -1.582 -2.248) 3.797 3.037 ( 0.612 1.956 -0.239) 2.064 3.063 ( -0.823 -0.180 -0.317) 0.900 3.135 ( 5.456 3.360 0.365) 6.418 3.160 ( 3.096 -3.447 -2.397) 5.217 3.208 ( 1.948 -1.735 2.020) 3.299 3.262 ( 1.292 -1.116 0.425) 1.759 3.271 ( 2.821 -1.531 0.206) 3.217 3.309 ( 0.984 4.162 2.404) 4.906 3.403 ( 2.409 -1.116 -1.370) 2.988 3.425 ( 3.427 -1.082 -2.889) 4.611 3.451 ( 1.049 -1.604 0.277) 1.936 3.502 ( 1.538 1.201 2.971) 3.555 3.571 ( 0.872 0.298 0.139) 0.932 3.604 ( 1.485 0.599 -1.177) 1.988 3.666 ( -0.885 -0.690 1.125) 1.589 3.712 ( 2.334 0.799 1.200) 2.743 3.763 ( -0.350 0.256 0.724) 0.844 3.795 ( -2.227 1.595 -3.107) 4.143 3.840 ( 4.020 0.227 -0.302) 4.038 3.872 ( 4.948 -1.527 -6.053) 7.966 3.925 ( 2.563 -1.496 0.959) 3.119 3.998 ( -3.774 0.949 1.476) 4.162 4.177 ( -2.793 -5.917 1.228) 6.657 4.306 ( 2.557 2.478 -1.917) 4.044 4.332 ( 2.262 2.429 -1.126) 3.505 4.409 ( 4.146 2.185 1.820) 5.027 4.434 ( 4.734 0.361 3.567) 5.939 4.527 ( -3.864 1.183 0.912) 4.143 4.581 ( 1.085 -1.739 4.823) 5.241 4.666 ( 5.730 1.388 -9.045) 10.797 4.712 ( 4.286 0.945 2.980) 5.305 4.861 ( 6.403 0.022 -4.018) 7.559 4.947 ( 7.627 -3.016 -0.578) 8.222 5.069 ( 8.964 1.893 1.749) 9.327 5.166 ( 10.223 -1.365 2.069) 10.519 7.175 ( 4.374 3.643 5.804) 8.129 7.337 ( 4.946 -2.175 6.046) 8.109 7.456 ( 8.365 1.415 -9.886) 13.028 7.587 ( 3.384 -3.038 -2.581) 5.230 7.631 ( 5.346 1.971 0.838) 5.759 7.682 ( 2.555 0.122 0.818) 2.685 8.203 ( 1.799 0.346 0.353) 1.865 8.211 ( 2.292 0.137 -5.572) 6.026 8.274 ( 4.488 3.725 -1.098) 5.934 8.464 ( 2.606 -5.253 -1.231) 5.992 8.656 ( 3.495 3.762 1.145) 5.262 8.770 ( 4.281 -1.579 -0.879) 4.647 8.900 ( 5.159 0.838 3.207) 6.132 8.987 ( 5.406 -2.147 0.565) 5.844 9.292 ( -0.174 1.980 0.995) 2.223 9.337 ( 1.323 0.239 -1.780) 2.230 9.708 ( 4.611 3.414 2.017) 6.082 9.817 ( 8.871 1.600 -7.477) 11.711 9.883 ( 6.674 -3.085 1.852) 7.582 9.963 ( 5.737 -0.253 -1.390) 5.909 10.080 ( 0.500 -3.864 4.615) 6.040 10.193 ( -2.794 -3.725 2.678) 5.371 10.322 ( 3.331 3.313 1.805) 5.033 10.371 ( 4.928 0.053 -0.146) 4.930 10.386 ( 5.047 -0.910 -0.452) 5.149 10.549 ( 3.198 -6.365 -1.946) 7.384 10.689 ( 3.699 0.937 -0.955) 3.934 10.769 ( 6.106 -1.910 -0.191) 6.401 10.973 ( 6.178 4.487 -0.325) 7.642 11.033 ( 6.371 5.265 2.375) 8.600 11.410 ( 2.575 -1.391 0.001) 2.927 11.478 ( 2.930 -1.287 -1.719) 3.633 11.655 ( -7.334 -1.307 -1.721) 7.645 11.681 ( -9.038 -4.078 -0.753) 9.944 11.892 ( -10.364 2.193 3.543) 11.170 11.900 ( -14.984 1.689 -1.914) 15.200 12.930 ( 2.860 3.959 -0.304) 4.894 12.964 ( 1.718 2.958 -1.349) 3.677 13.083 ( -1.053 -0.570 4.296) 4.460 13.130 ( 2.728 -1.949 -1.615) 3.721 13.349 ( 7.279 1.438 -5.437) 9.199 13.471 ( 1.168 0.998 2.235) 2.712 13.544 ( 0.405 -1.418 2.714) 3.088 13.610 ( 5.640 -3.781 1.234) 6.901 13.820 ( 11.008 4.282 -1.499) 11.906 14.051 ( 10.619 -4.415 -2.308) 11.729 14.228 ( 4.123 1.145 1.274) 4.465 14.330 ( 1.118 -3.117 -0.158) 3.315 15.259 ( 1.604 0.347 0.705) 1.786 15.266 ( 0.955 0.226 0.951) 1.366 15.448 ( -2.476 1.634 -0.102) 2.968 15.491 ( -3.723 -0.205 0.698) 3.793 17.458 ( 0.908 0.461 -1.174) 1.554 17.479 ( 1.811 -0.296 0.603) 1.931 17.558 ( 1.047 -0.011 0.206) 1.067 17.562 ( 1.435 -0.128 0.374) 1.489 18.380 ( -0.208 0.754 0.300) 0.838 18.419 ( -0.413 -0.840 0.222) 0.962 18.449 ( 0.090 0.535 -0.422) 0.687 18.468 ( -0.095 -0.349 -0.169) 0.400 18.645 ( 0.548 0.173 0.583) 0.818 18.659 ( -0.462 0.298 -0.609) 0.821 18.666 ( -0.755 -0.532 0.414) 1.012 18.679 ( -1.187 -0.240 -0.512) 1.315 18.865 ( 0.640 0.597 -0.319) 0.932 18.890 ( 1.045 -0.404 0.558) 1.252 19.079 ( 0.066 0.863 -0.685) 1.104 19.120 ( 0.890 -0.723 0.568) 1.280 34.964 ( -0.888 0.162 1.298) 1.581 34.973 ( -0.749 -0.207 0.621) 0.994 35.018 ( 0.077 0.162 -0.747) 0.768 35.025 ( -0.307 -0.121 -0.651) 0.730 35.177 ( -0.782 0.220 -0.103) 0.819 35.189 ( -0.673 -0.297 -0.364) 0.820 35.209 ( -0.074 0.196 0.369) 0.424 35.216 ( -0.190 -0.120 -0.248) 0.334 51.338 ( -2.164 0.911 -0.212) 2.357 51.397 ( -0.508 -1.597 0.107) 1.679 51.544 ( -3.232 2.007 0.419) 3.828 51.644 ( -3.048 -2.655 0.821) 4.125 51.755 ( -5.323 2.277 0.902) 5.860 51.815 ( -5.914 -0.671 0.514) 5.974 51.867 ( -7.990 0.781 0.219) 8.031 51.918 ( -11.333 -1.117 -1.688) 11.512 ======================= Grid point 21 (15/90) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 9.191 1.630 0.738) 9.363 2.603 ( 6.793 0.235 -0.643) 6.827 2.638 ( 8.458 -0.161 0.052) 8.459 2.734 ( 4.718 -3.213 -0.013) 5.708 2.760 ( 8.403 0.548 1.164) 8.501 2.783 ( 6.591 -0.703 1.561) 6.810 2.797 ( 6.752 0.546 0.629) 6.803 2.828 ( 6.639 0.697 1.240) 6.789 2.876 ( 3.128 1.270 0.010) 3.376 2.939 ( 5.301 -1.120 -2.423) 5.935 2.954 ( 0.987 0.921 0.485) 1.434 2.980 ( -0.866 -1.011 -0.584) 1.454 3.002 ( -1.387 -0.678 -0.778) 1.729 3.044 ( 1.354 1.325 0.209) 1.905 3.092 ( 3.491 -0.242 -0.144) 3.502 3.157 ( -0.812 -2.855 -0.207) 2.976 3.199 ( -1.237 -0.313 -0.662) 1.438 3.239 ( -0.839 -0.945 -0.846) 1.521 3.284 ( 2.347 -0.434 1.018) 2.595 3.301 ( -0.114 -0.944 2.528) 2.701 3.328 ( 1.107 2.789 1.007) 3.165 3.417 ( -1.668 0.627 -1.710) 2.469 3.424 ( -1.446 -0.461 -1.298) 1.997 3.484 ( 1.973 -1.688 -0.048) 2.597 3.537 ( 1.463 0.851 2.486) 3.007 3.570 ( -4.174 1.911 -1.823) 4.940 3.590 ( 1.138 0.456 -0.021) 1.226 3.645 ( -0.522 -1.527 -0.349) 1.652 3.698 ( -0.488 1.477 0.828) 1.762 3.754 ( 0.572 0.643 -1.658) 1.868 3.784 ( -1.343 0.280 0.208) 1.387 3.888 ( 0.113 -0.816 0.402) 0.917 3.895 ( -0.058 -1.346 0.928) 1.636 3.946 ( 0.101 4.522 -1.603) 4.798 3.989 ( 0.900 -3.423 -2.842) 4.539 4.104 ( -1.615 -2.573 0.102) 3.040 4.296 ( -2.915 5.676 2.142) 6.731 4.368 ( 1.441 -0.424 -2.502) 2.919 4.405 ( -2.050 1.359 0.452) 2.501 4.454 ( 0.573 2.558 0.850) 2.756 4.582 ( 1.340 -2.187 1.508) 2.976 4.672 ( 7.590 -1.563 1.062) 7.822 4.759 ( 4.577 0.223 -0.368) 4.597 4.839 ( 5.091 0.214 1.897) 5.437 4.980 ( 5.872 -0.610 -2.837) 6.550 5.054 ( 3.420 -4.259 -1.391) 5.637 5.232 ( 6.275 3.825 0.347) 7.357 5.333 ( 5.863 -0.923 1.346) 6.086 7.292 ( 5.464 3.573 6.303) 9.074 7.456 ( 4.657 -1.957 5.481) 7.454 7.548 ( 1.488 -0.720 -8.793) 8.947 7.567 ( -0.873 -1.446 -4.990) 5.268 7.720 ( 3.380 1.231 1.586) 3.931 7.746 ( 2.503 0.986 2.178) 3.461 8.212 ( -0.360 -0.341 -0.211) 0.539 8.223 ( 0.912 -0.394 -5.544) 5.632 8.378 ( 6.197 2.908 -2.747) 7.376 8.505 ( 0.843 -3.022 0.435) 3.168 8.711 ( 1.839 3.065 2.562) 4.398 8.807 ( -0.300 -1.233 0.753) 1.475 9.009 ( 5.014 0.060 2.003) 5.399 9.089 ( 4.048 -2.521 0.450) 4.790 9.251 ( -3.129 1.856 -0.106) 3.640 9.340 ( -0.559 -1.664 -1.521) 2.323 9.765 ( 0.687 2.969 3.187) 4.410 9.954 ( 7.097 0.898 -5.435) 8.984 10.004 ( 4.331 -5.572 2.516) 7.492 10.061 ( 4.213 -0.389 -3.895) 5.751 10.114 ( 1.674 -1.163 -1.159) 2.344 10.145 ( -2.123 -5.697 5.897) 8.469 10.346 ( -0.400 7.312 0.794) 7.365 10.438 ( 2.280 -0.245 -0.433) 2.333 10.450 ( 0.392 0.936 -0.182) 1.031 10.635 ( 5.306 -2.469 -1.327) 6.001 10.726 ( 2.579 -1.161 1.038) 3.012 10.911 ( 6.501 -5.064 -2.128) 8.511 11.089 ( 3.675 10.402 1.652) 11.155 11.135 ( 3.653 3.768 1.399) 5.431 11.415 ( -12.768 -3.125 -0.802) 13.169 11.444 ( 0.770 -3.566 -0.373) 3.667 11.506 ( -1.103 0.579 0.216) 1.264 11.519 ( -3.778 -0.342 -2.500) 4.543 11.669 ( -8.211 2.082 -0.103) 8.471 11.768 ( -4.701 -1.465 1.973) 5.304 12.953 ( 0.342 4.681 -0.115) 4.695 12.984 ( 0.978 3.673 -1.083) 3.952 13.075 ( -0.850 -0.123 2.520) 2.662 13.133 ( -0.661 -1.012 -1.442) 1.881 13.444 ( 3.884 -1.603 -3.525) 5.484 13.494 ( -0.118 -2.876 2.209) 3.628 13.586 ( 2.286 1.780 1.786) 3.403 13.653 ( 0.920 -0.580 -0.379) 1.151 14.057 ( 10.163 2.107 -0.816) 10.411 14.217 ( 5.765 -3.397 0.403) 6.703 14.275 ( 0.124 -0.597 1.179) 1.327 14.340 ( 0.310 -3.302 -0.911) 3.439 15.299 ( 2.454 1.025 0.021) 2.660 15.323 ( 3.378 0.191 0.088) 3.385 15.422 ( -0.751 1.106 0.294) 1.369 15.458 ( -0.312 -0.158 0.571) 0.669 17.469 ( 0.434 0.831 -0.725) 1.185 17.511 ( 1.201 -0.766 0.442) 1.492 17.572 ( 0.335 0.216 0.009) 0.399 17.586 ( 0.844 -0.270 0.257) 0.923 18.379 ( -0.053 0.610 0.134) 0.627 18.412 ( -0.247 -0.837 0.083) 0.877 18.450 ( 0.111 0.593 -0.303) 0.675 18.467 ( 0.010 -0.227 0.027) 0.229 18.645 ( -0.427 0.131 -0.554) 0.711 18.649 ( -0.662 0.133 0.573) 0.886 18.660 ( 0.078 -0.147 0.850) 0.866 18.665 ( -0.126 -0.355 -0.908) 0.983 18.874 ( 0.400 0.625 -0.155) 0.758 18.909 ( 0.655 -0.681 0.331) 1.001 19.079 ( 0.053 1.250 -0.437) 1.325 19.135 ( 0.498 -0.966 0.290) 1.125 34.950 ( -0.706 0.184 0.771) 1.062 34.960 ( -0.595 -0.216 0.277) 0.691 35.013 ( -0.204 0.181 -0.658) 0.712 35.022 ( -0.022 -0.150 -0.043) 0.158 35.165 ( -0.376 0.283 -0.203) 0.513 35.179 ( -0.296 -0.264 -0.290) 0.491 35.211 ( 0.080 0.055 0.495) 0.505 35.215 ( 0.024 -0.076 -0.238) 0.250 51.325 ( 0.846 0.985 0.185) 1.312 51.393 ( -0.043 -2.151 0.358) 2.181 51.488 ( -2.691 2.183 0.156) 3.469 51.568 ( -4.469 -1.570 -0.452) 4.758 51.673 ( -2.519 1.393 -0.085) 2.880 51.718 ( -3.883 -0.313 -0.449) 3.921 51.744 ( -5.564 0.035 0.140) 5.566 51.766 ( -3.008 -0.581 0.460) 3.098 ======================= Grid point 22 (16/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 0.000 1.254 -0.000) 1.254 2.665 ( 0.000 0.393 -0.000) 0.393 2.756 ( 0.000 -1.440 -0.000) 1.440 2.769 ( 0.000 -1.922 -0.000) 1.922 2.827 ( 0.000 0.413 0.000) 0.413 2.849 ( 0.000 1.149 0.000) 1.149 2.853 ( -0.000 0.029 -0.000) 0.029 2.914 ( -0.000 -0.807 -0.000) 0.807 2.930 ( 0.000 1.160 -0.000) 1.160 2.933 ( -0.000 1.399 0.000) 1.399 2.963 ( 0.000 0.675 0.000) 0.675 2.969 ( 0.000 -1.073 0.000) 1.073 3.043 ( 0.000 -0.958 -0.000) 0.958 3.080 ( 0.000 -0.092 0.000) 0.092 3.140 ( 0.000 -0.871 -0.000) 0.871 3.144 ( 0.000 -1.623 0.000) 1.623 3.157 ( -0.000 -0.858 -0.000) 0.858 3.205 ( 0.000 -2.865 -0.000) 2.865 3.298 ( 0.000 1.113 0.000) 1.113 3.324 ( -0.000 -0.265 0.000) 0.265 3.331 ( 0.000 -0.089 -0.000) 0.089 3.365 ( 0.000 -0.031 0.000) 0.031 3.429 ( 0.000 -0.000 0.000) 0.000 3.470 ( -0.000 2.887 -0.000) 2.887 3.548 ( 0.000 -1.140 0.000) 1.140 3.568 ( 0.000 -2.426 -0.000) 2.426 3.600 ( 0.000 2.297 -0.000) 2.297 3.617 ( 0.000 0.756 -0.000) 0.756 3.707 ( -0.000 0.812 0.000) 0.812 3.746 ( 0.000 1.638 -0.000) 1.638 3.792 ( 0.000 1.230 0.000) 1.230 3.878 ( -0.000 -1.641 0.000) 1.641 3.902 ( 0.000 -2.020 -0.000) 2.020 3.925 ( -0.000 -2.314 0.000) 2.314 3.969 ( 0.000 1.546 0.000) 1.546 4.130 ( 0.000 0.343 -0.000) 0.343 4.247 ( 0.000 8.389 0.000) 8.389 4.377 ( 0.000 -0.657 -0.000) 0.657 4.398 ( 0.000 0.307 -0.000) 0.307 4.458 ( 0.000 1.671 0.000) 1.671 4.598 ( 0.000 -1.241 -0.000) 1.241 4.749 ( 0.000 -5.805 -0.000) 5.805 4.812 ( 0.000 1.952 0.000) 1.952 4.894 ( 0.000 0.285 -0.000) 0.285 5.044 ( 0.000 -1.382 0.000) 1.382 5.077 ( 0.000 -3.508 -0.000) 3.508 5.296 ( 0.000 4.111 0.000) 4.111 5.394 ( 0.000 -0.748 0.000) 0.748 7.397 ( -0.000 2.937 -0.000) 2.937 7.465 ( 0.000 0.912 0.000) 0.912 7.525 ( 0.000 -0.792 0.000) 0.792 7.578 ( 0.000 -4.144 -0.000) 4.144 7.762 ( 0.000 0.630 0.000) 0.630 7.773 ( 0.000 1.250 0.000) 1.250 8.205 ( 0.000 -0.535 0.000) 0.535 8.222 ( 0.000 -0.326 -0.000) 0.326 8.475 ( -0.000 0.674 0.000) 0.674 8.479 ( 0.000 0.895 -0.000) 0.895 8.745 ( 0.000 1.284 -0.000) 1.284 8.791 ( 0.000 -0.385 0.000) 0.385 9.095 ( 0.000 -1.139 0.000) 1.139 9.105 ( -0.000 -2.409 -0.000) 2.409 9.215 ( 0.000 2.451 -0.000) 2.451 9.326 ( 0.000 -2.458 -0.000) 2.458 9.773 ( 0.000 2.440 0.000) 2.440 10.031 ( 0.000 -1.054 -0.000) 1.054 10.052 ( 0.000 -8.305 0.000) 8.305 10.099 ( 0.000 1.195 -0.000) 1.195 10.103 ( -0.000 -2.661 0.000) 2.661 10.158 ( 0.000 -3.094 -0.000) 3.094 10.336 ( 0.000 10.889 0.000) 10.889 10.441 ( 0.000 1.320 0.000) 1.320 10.463 ( 0.000 -0.029 0.000) 0.029 10.684 ( 0.000 2.247 0.000) 2.247 10.785 ( 0.000 -6.390 -0.000) 6.390 10.979 ( 0.000 -6.574 0.000) 6.574 11.101 ( 0.000 8.828 -0.000) 8.828 11.198 ( 0.000 6.495 0.000) 6.495 11.248 ( 0.000 -2.136 -0.000) 2.136 11.452 ( 0.000 0.360 0.000) 0.360 11.468 ( 0.000 0.046 -0.000) 0.046 11.544 ( -0.001 -4.011 0.000) 4.011 11.550 ( 0.001 3.861 -0.000) 3.861 11.723 ( -0.000 -3.167 0.000) 3.167 12.955 ( 0.000 5.037 0.000) 5.037 12.995 ( 0.000 2.750 -0.000) 2.750 13.068 ( 0.000 1.294 0.000) 1.294 13.122 ( 0.000 -0.668 0.000) 0.668 13.479 ( 0.000 -3.310 0.000) 3.310 13.493 ( 0.000 -2.704 0.000) 2.704 13.613 ( 0.000 2.298 -0.000) 2.298 13.661 ( 0.000 -0.096 0.000) 0.096 14.171 ( 0.000 2.296 -0.000) 2.296 14.260 ( 0.000 -1.977 0.000) 1.977 14.272 ( 0.000 -2.246 0.000) 2.246 14.342 ( 0.000 -4.086 -0.000) 4.086 15.327 ( 0.000 0.988 -0.000) 0.988 15.368 ( 0.000 -0.722 -0.000) 0.722 15.410 ( -0.000 1.889 0.000) 1.889 15.460 ( 0.000 -0.049 -0.000) 0.049 17.472 ( 0.000 0.965 -0.000) 0.965 17.524 ( 0.000 -1.097 0.000) 1.097 17.574 ( 0.000 0.459 -0.000) 0.459 17.595 ( 0.000 -0.335 0.000) 0.335 18.378 ( 0.000 0.541 -0.000) 0.541 18.410 ( 0.000 -0.819 0.000) 0.819 18.450 ( 0.000 0.621 0.000) 0.621 18.468 ( 0.000 -0.169 0.000) 0.169 18.640 ( 0.000 0.085 -0.000) 0.085 18.641 ( -0.000 0.042 0.000) 0.042 18.662 ( 0.000 -0.167 0.000) 0.167 18.663 ( 0.000 -0.175 -0.000) 0.175 18.878 ( 0.000 0.626 0.000) 0.626 18.916 ( 0.000 -0.797 0.000) 0.797 19.079 ( 0.000 1.398 -0.000) 1.398 19.141 ( 0.000 -1.045 0.000) 1.045 34.944 ( 0.000 0.180 0.000) 0.180 34.954 ( 0.000 -0.231 0.000) 0.231 35.010 ( 0.000 0.254 0.000) 0.254 35.021 ( 0.000 -0.199 -0.000) 0.199 35.161 ( 0.000 0.307 0.000) 0.307 35.176 ( 0.000 -0.261 -0.000) 0.261 35.213 ( 0.000 -0.003 -0.000) 0.003 35.214 ( 0.000 -0.049 0.000) 0.049 51.353 ( -0.000 0.519 0.000) 0.519 51.385 ( 0.000 -0.873 0.000) 0.873 51.455 ( 0.000 1.236 0.000) 1.236 51.514 ( 0.000 -1.274 0.000) 1.274 51.650 ( 0.000 0.768 0.000) 0.768 51.673 ( 0.000 -0.312 -0.000) 0.312 51.696 ( -0.000 0.781 0.000) 0.781 51.739 ( 0.000 -0.852 0.000) 0.852 ======================= Grid point 30 (17/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.000 -19.669 0.000) 19.669 0.978 ( 0.000 19.669 0.000) 19.669 1.123 ( 0.000 -22.968 0.000) 22.968 1.123 ( 0.000 22.968 0.000) 22.968 1.586 ( 0.000 -0.762 0.000) 0.762 1.586 ( 0.000 0.762 0.000) 0.762 1.824 ( 0.000 -11.127 0.000) 11.127 1.824 ( 0.000 11.127 0.000) 11.127 2.105 ( 0.000 -22.559 0.000) 22.559 2.105 ( 0.000 22.559 0.000) 22.559 2.319 ( 0.000 -8.008 0.000) 8.008 2.319 ( 0.000 8.008 0.000) 8.008 2.368 ( 0.000 -13.841 0.000) 13.841 2.368 ( 0.000 13.841 0.000) 13.841 2.548 ( 0.000 -1.276 0.000) 1.276 2.548 ( 0.000 1.276 0.000) 1.276 2.593 ( 0.000 -1.808 0.000) 1.808 2.593 ( 0.000 1.808 0.000) 1.808 2.662 ( 0.000 -6.055 0.000) 6.055 2.662 ( 0.000 6.055 0.000) 6.055 2.829 ( 0.000 -0.415 0.000) 0.415 2.829 ( 0.000 0.415 0.000) 0.415 2.958 ( 0.000 -0.759 0.000) 0.759 2.958 ( 0.000 0.759 0.000) 0.759 3.068 ( 0.000 -0.334 0.000) 0.334 3.068 ( 0.000 0.334 0.000) 0.334 3.260 ( 0.000 -0.184 0.000) 0.184 3.260 ( 0.000 0.184 0.000) 0.184 3.292 ( 0.000 -3.820 0.000) 3.820 3.292 ( 0.000 3.820 0.000) 3.820 3.441 ( 0.000 -5.600 0.000) 5.600 3.441 ( 0.000 5.600 0.000) 5.600 3.564 ( 0.000 -3.197 0.000) 3.197 3.564 ( 0.000 3.197 0.000) 3.197 3.750 ( 0.000 -3.859 0.000) 3.859 3.750 ( 0.000 3.859 0.000) 3.859 4.028 ( 0.000 -5.373 0.000) 5.373 4.028 ( 0.000 5.373 0.000) 5.373 4.421 ( 0.000 -1.810 0.000) 1.810 4.421 ( 0.000 1.810 0.000) 1.810 4.638 ( 0.000 -7.278 0.000) 7.278 4.638 ( 0.000 7.278 0.000) 7.278 4.717 ( 0.000 -6.394 0.000) 6.394 4.717 ( 0.000 6.394 0.000) 6.394 4.977 ( 0.000 -6.391 0.000) 6.391 4.977 ( 0.000 6.391 0.000) 6.391 5.219 ( 0.000 -9.705 0.000) 9.705 5.219 ( 0.000 9.705 0.000) 9.705 7.020 ( 0.000 -1.400 0.000) 1.400 7.020 ( 0.000 1.400 0.000) 1.400 7.224 ( 0.000 -0.078 0.000) 0.078 7.224 ( 0.000 0.078 0.000) 0.078 7.262 ( 0.000 -5.237 0.000) 5.237 7.262 ( 0.000 5.237 0.000) 5.237 7.574 ( 0.000 -3.115 0.000) 3.115 7.574 ( 0.000 3.115 0.000) 3.115 7.673 ( 0.000 -1.337 0.000) 1.337 7.673 ( 0.000 1.337 0.000) 1.337 8.215 ( 0.000 -2.723 0.000) 2.723 8.215 ( 0.000 2.723 0.000) 2.723 8.737 ( 0.000 -7.717 0.000) 7.717 8.737 ( 0.000 7.717 0.000) 7.717 8.800 ( 0.000 -4.754 0.000) 4.754 8.800 ( 0.000 4.754 0.000) 4.754 9.048 ( 0.000 -1.917 0.000) 1.917 9.048 ( 0.000 1.917 0.000) 1.917 9.316 ( 0.000 -1.970 0.000) 1.970 9.316 ( 0.000 1.970 0.000) 1.970 9.728 ( 0.000 -2.389 0.000) 2.389 9.728 ( 0.000 2.389 0.000) 2.389 9.765 ( 0.000 -5.919 0.000) 5.919 9.765 ( 0.000 5.919 0.000) 5.919 10.123 ( 0.000 -4.588 0.000) 4.588 10.123 ( 0.000 4.588 0.000) 4.588 10.220 ( 0.000 -2.900 0.000) 2.900 10.220 ( 0.000 2.900 0.000) 2.900 10.356 ( 0.000 -2.294 0.000) 2.294 10.356 ( 0.000 2.294 0.000) 2.294 10.796 ( 0.000 -2.374 0.000) 2.374 10.796 ( 0.000 2.374 0.000) 2.374 11.311 ( 0.000 -3.973 0.000) 3.973 11.311 ( 0.000 3.973 0.000) 3.973 11.646 ( 0.000 -6.343 0.000) 6.343 11.646 ( 0.000 6.343 0.000) 6.343 12.848 ( 0.000 -2.117 0.000) 2.117 12.848 ( 0.000 2.117 0.000) 2.117 13.007 ( 0.000 -3.897 0.000) 3.897 13.007 ( 0.000 3.897 0.000) 3.897 13.460 ( 0.000 -1.505 0.000) 1.505 13.460 ( 0.000 1.505 0.000) 1.505 13.953 ( 0.000 -0.493 0.000) 0.493 13.953 ( 0.000 0.493 0.000) 0.493 14.033 ( 0.000 -4.577 0.000) 4.577 14.033 ( 0.000 4.577 0.000) 4.577 14.531 ( 0.000 -7.902 0.000) 7.902 14.531 ( 0.000 7.902 0.000) 7.902 15.516 ( 0.000 -12.793 0.000) 12.793 15.516 ( 0.000 12.793 0.000) 12.793 16.249 ( 0.000 -0.811 0.000) 0.811 16.249 ( 0.000 0.811 0.000) 0.811 17.356 ( 0.000 -0.440 0.000) 0.440 17.356 ( 0.000 0.440 0.000) 0.440 17.415 ( 0.000 -0.461 0.000) 0.461 17.415 ( 0.000 0.461 0.000) 0.461 18.453 ( 0.000 -0.345 0.000) 0.345 18.453 ( 0.000 0.345 0.000) 0.345 18.500 ( 0.000 -0.265 0.000) 0.265 18.500 ( 0.000 0.265 0.000) 0.265 18.621 ( 0.000 -2.338 0.000) 2.338 18.621 ( 0.000 2.338 0.000) 2.338 18.737 ( 0.000 -0.508 0.000) 0.508 18.737 ( 0.000 0.508 0.000) 0.508 18.779 ( 0.000 -0.915 0.000) 0.915 18.779 ( 0.000 0.915 0.000) 0.915 19.035 ( 0.000 -0.700 0.000) 0.700 19.035 ( 0.000 0.700 0.000) 0.700 34.972 ( 0.000 -0.590 0.000) 0.590 34.972 ( 0.000 0.590 0.000) 0.590 35.019 ( 0.000 -0.291 0.000) 0.291 35.019 ( 0.000 0.291 0.000) 0.291 35.250 ( 0.000 -0.084 0.000) 0.084 35.250 ( 0.000 0.084 0.000) 0.084 35.272 ( 0.000 -0.218 0.000) 0.218 35.272 ( 0.000 0.218 0.000) 0.218 51.554 ( 0.000 -4.397 0.000) 4.397 51.554 ( 0.000 4.397 0.000) 4.397 51.835 ( 0.000 -5.741 0.000) 5.741 51.835 ( 0.000 5.741 0.000) 5.741 52.054 ( 0.000 -1.984 0.000) 1.984 52.054 ( 0.000 1.984 0.000) 1.984 52.993 ( 0.000 -11.889 0.000) 11.889 52.993 ( 0.000 11.889 0.000) 11.889 ======================= Grid point 32 (18/90) ======================= q-point: ( 0.07 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 10.284 -16.683 3.282) 19.871 1.094 ( 10.284 16.683 3.282) 19.871 1.166 ( 5.867 -21.419 2.369) 22.334 1.166 ( 5.867 21.419 2.369) 22.334 1.712 ( 12.686 -1.039 -2.623) 12.996 1.712 ( 12.686 1.039 -2.623) 12.996 1.962 ( 10.054 -4.786 -2.499) 11.412 1.962 ( 10.054 4.786 -2.499) 11.412 2.195 ( 8.832 -24.875 -0.271) 26.398 2.195 ( 8.832 24.875 -0.271) 26.398 2.311 ( 1.657 -7.937 3.428) 8.803 2.311 ( 1.657 7.937 3.428) 8.803 2.471 ( 8.901 -12.957 -1.347) 15.777 2.471 ( 8.901 12.957 -1.347) 15.777 2.591 ( 4.504 -6.110 2.482) 7.986 2.591 ( 4.504 6.110 2.482) 7.986 2.635 ( 3.538 -5.393 -1.726) 6.676 2.635 ( 3.538 5.393 -1.726) 6.676 2.694 ( 3.709 -2.894 1.819) 5.044 2.694 ( 3.709 2.894 1.819) 5.044 2.891 ( 5.713 -2.408 -0.132) 6.201 2.891 ( 5.713 2.408 -0.132) 6.201 2.975 ( 2.498 -2.950 -1.636) 4.198 2.975 ( 2.498 2.950 -1.636) 4.198 3.147 ( 6.714 -1.636 0.697) 6.946 3.147 ( 6.714 1.636 0.697) 6.946 3.266 ( 1.797 -2.312 0.425) 2.959 3.266 ( 1.797 2.312 0.425) 2.959 3.345 ( 4.140 -3.445 -3.655) 6.509 3.345 ( 4.140 3.445 -3.655) 6.509 3.489 ( 4.439 -5.216 -0.410) 6.862 3.489 ( 4.439 5.216 -0.410) 6.862 3.603 ( 3.943 -3.487 1.003) 5.358 3.603 ( 3.943 3.487 1.003) 5.358 3.758 ( 1.309 -3.029 -0.626) 3.359 3.758 ( 1.309 3.029 -0.626) 3.359 4.040 ( 1.529 -5.124 -0.843) 5.413 4.040 ( 1.529 5.124 -0.843) 5.413 4.406 ( -1.332 -1.498 -0.590) 2.089 4.406 ( -1.332 1.498 -0.590) 2.089 4.618 ( -1.967 -6.678 0.053) 6.962 4.618 ( -1.967 6.678 0.053) 6.962 4.702 ( -1.707 -6.181 1.704) 6.635 4.702 ( -1.707 6.181 1.704) 6.635 4.945 ( -3.080 -6.022 -0.140) 6.765 4.945 ( -3.080 6.022 -0.140) 6.765 5.190 ( -2.985 -8.990 0.351) 9.480 5.190 ( -2.985 8.990 0.351) 9.480 7.041 ( 1.452 -2.704 1.361) 3.357 7.041 ( 1.452 2.704 1.361) 3.357 7.155 ( -2.310 -2.812 -0.905) 3.750 7.155 ( -2.310 2.812 -0.905) 3.750 7.268 ( 0.422 -4.929 3.224) 5.905 7.268 ( 0.422 4.929 3.224) 5.905 7.702 ( 6.069 -3.620 -0.712) 7.102 7.702 ( 6.069 3.620 -0.712) 7.102 7.811 ( 15.497 -2.503 -2.472) 15.891 7.811 ( 15.497 2.503 -2.472) 15.891 8.240 ( 2.652 -2.627 -0.129) 3.735 8.240 ( 2.652 2.627 -0.129) 3.735 8.784 ( 0.518 -1.877 -0.925) 2.156 8.784 ( 0.518 1.877 -0.925) 2.156 8.826 ( 5.459 -2.677 4.320) 7.458 8.826 ( 5.459 2.677 4.320) 7.458 9.096 ( 4.144 -1.450 -0.836) 4.469 9.096 ( 4.144 1.450 -0.836) 4.469 9.398 ( 8.389 -5.353 0.206) 9.953 9.398 ( 8.389 5.353 0.206) 9.953 9.769 ( 2.079 -5.872 0.749) 6.274 9.769 ( 2.079 5.872 0.749) 6.274 9.863 ( 9.989 -0.134 0.443) 10.000 9.863 ( 9.989 0.134 0.443) 10.000 10.137 ( 2.870 -1.670 -5.492) 6.417 10.137 ( 2.870 1.670 -5.492) 6.417 10.239 ( 2.498 -3.526 -1.343) 4.525 10.239 ( 2.498 3.526 -1.343) 4.525 10.432 ( 5.463 -2.910 6.968) 9.320 10.432 ( 5.463 2.910 6.968) 9.320 10.984 ( 18.035 -8.935 -7.430) 21.454 10.984 ( 18.035 8.935 -7.430) 21.454 11.312 ( 0.135 -2.239 1.160) 2.525 11.312 ( 0.135 2.239 1.160) 2.525 11.665 ( 2.978 -6.478 0.505) 7.148 11.665 ( 2.978 6.478 0.505) 7.148 12.825 ( -1.509 -3.555 -0.401) 3.883 12.825 ( -1.509 3.555 -0.401) 3.883 13.041 ( 2.125 -5.284 2.439) 6.195 13.041 ( 2.125 5.284 2.439) 6.195 13.348 ( -9.606 -4.560 -3.850) 11.309 13.348 ( -9.606 4.560 -3.850) 11.309 13.898 ( -2.589 -7.190 -9.850) 12.467 13.898 ( -2.589 7.190 -9.850) 12.467 14.026 ( -2.500 -3.417 4.813) 6.410 14.026 ( -2.500 3.417 4.813) 6.410 14.399 ( -9.828 -4.233 -5.537) 12.049 14.399 ( -9.828 4.233 -5.537) 12.049 15.491 ( -3.998 -10.869 8.334) 14.268 15.491 ( -3.998 10.869 8.334) 14.268 16.167 ( -7.778 -2.255 1.038) 8.165 16.167 ( -7.778 2.255 1.038) 8.165 17.357 ( 0.414 -0.446 0.279) 0.669 17.357 ( 0.414 0.446 0.279) 0.669 17.435 ( 1.462 -0.493 -0.071) 1.545 17.435 ( 1.462 0.493 -0.071) 1.545 18.441 ( -0.974 -0.403 0.651) 1.239 18.441 ( -0.974 0.403 0.651) 1.239 18.495 ( -0.370 -0.170 -0.706) 0.815 18.495 ( -0.370 0.170 -0.706) 0.815 18.632 ( 0.484 -2.580 1.013) 2.814 18.632 ( 0.484 2.580 1.013) 2.814 18.732 ( -0.156 -1.396 -0.643) 1.545 18.732 ( -0.156 1.396 -0.643) 1.545 18.798 ( 1.364 -0.830 0.293) 1.623 18.798 ( 1.364 0.830 0.293) 1.623 19.045 ( 0.857 -0.647 0.087) 1.077 19.045 ( 0.857 0.647 0.087) 1.077 34.974 ( 0.178 -0.561 0.031) 0.589 34.974 ( 0.178 0.561 0.031) 0.589 35.022 ( 0.221 -0.452 -0.003) 0.503 35.022 ( 0.221 0.452 -0.003) 0.503 35.241 ( -0.701 -0.422 -0.246) 0.855 35.241 ( -0.701 0.422 -0.246) 0.855 35.271 ( -0.210 -0.161 -0.256) 0.368 35.271 ( -0.210 0.161 -0.256) 0.368 51.541 ( -1.098 -4.120 -0.361) 4.279 51.541 ( -1.098 4.120 -0.361) 4.279 51.824 ( -0.177 -3.284 -7.975) 8.626 51.824 ( -0.177 3.284 -7.975) 8.626 52.083 ( -0.577 -3.806 15.183) 15.663 52.083 ( -0.577 3.806 15.183) 15.663 52.910 ( -8.007 -11.341 -0.636) 13.897 52.910 ( -8.007 11.341 -0.636) 13.897 ======================= Grid point 34 (19/90) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 15.563 -12.726 2.011) 20.205 1.354 ( 15.563 12.726 2.011) 20.205 1.408 ( 15.887 -11.195 6.163) 20.389 1.408 ( 15.887 11.195 6.163) 20.389 2.005 ( 15.407 -2.972 -3.925) 16.174 2.005 ( 15.407 2.972 -3.925) 16.174 2.135 ( 10.922 -6.381 -7.825) 14.874 2.135 ( 10.922 6.381 -7.825) 14.874 2.314 ( 4.750 -8.874 1.367) 10.157 2.314 ( 4.750 8.874 1.367) 10.157 2.467 ( 8.842 -4.583 2.738) 10.328 2.467 ( 8.842 4.583 2.738) 10.328 2.673 ( 5.872 -6.069 3.418) 9.110 2.673 ( 5.872 6.069 3.418) 9.110 2.733 ( 12.242 -5.368 -1.681) 13.473 2.733 ( 12.242 5.368 -1.681) 13.473 2.768 ( 9.753 -7.738 1.107) 12.499 2.768 ( 9.753 7.738 1.107) 12.499 2.835 ( 12.450 -2.790 2.768) 13.056 2.835 ( 12.450 2.790 2.768) 13.056 3.004 ( 5.295 -4.034 -1.722) 6.876 3.004 ( 5.295 4.034 -1.722) 6.876 3.072 ( 7.845 -2.493 -1.471) 8.362 3.072 ( 7.845 2.493 -1.471) 8.362 3.273 ( 4.070 -2.919 3.587) 6.161 3.273 ( 4.070 2.919 3.587) 6.161 3.364 ( 8.885 -4.016 -3.278) 10.287 3.364 ( 8.885 4.016 -3.278) 10.287 3.408 ( 3.212 -4.210 -1.689) 5.558 3.408 ( 3.212 4.210 -1.689) 5.558 3.582 ( 4.843 -1.435 -0.105) 5.053 3.582 ( 4.843 1.435 -0.105) 5.053 3.698 ( 3.798 -5.338 2.164) 6.899 3.698 ( 3.798 5.338 2.164) 6.899 3.834 ( 7.722 -1.598 -2.825) 8.377 3.834 ( 7.722 1.598 -2.825) 8.377 4.092 ( 4.358 -4.065 -2.571) 6.491 4.092 ( 4.358 4.065 -2.571) 6.491 4.373 ( -1.220 -0.523 -1.430) 1.951 4.373 ( -1.220 0.523 -1.430) 1.951 4.568 ( -3.039 -4.898 0.188) 5.767 4.568 ( -3.039 4.898 0.188) 5.767 4.666 ( -2.304 -5.533 2.797) 6.614 4.666 ( -2.304 5.533 2.797) 6.614 4.866 ( -4.600 -5.264 0.580) 7.015 4.866 ( -4.600 5.264 0.580) 7.015 5.107 ( -5.407 -6.881 0.336) 8.758 5.107 ( -5.407 6.881 0.336) 8.758 7.089 ( 3.331 -4.389 1.109) 5.621 7.089 ( 3.331 4.390 1.109) 5.621 7.140 ( 0.402 -3.696 -1.137) 3.887 7.140 ( 0.402 3.696 -1.137) 3.887 7.328 ( 4.895 -7.181 2.530) 9.051 7.328 ( 4.895 7.181 2.530) 9.051 7.839 ( 7.882 -1.875 0.943) 8.157 7.839 ( 7.882 1.875 0.943) 8.157 8.096 ( 12.388 -6.059 -3.688) 14.275 8.096 ( 12.388 6.059 -3.688) 14.275 8.330 ( 7.027 -2.427 -1.670) 7.620 8.330 ( 7.027 2.427 -1.670) 7.620 8.767 ( -1.309 -4.047 1.438) 4.490 8.767 ( -1.309 4.047 1.438) 4.490 9.004 ( 10.256 -5.457 3.038) 12.008 9.004 ( 10.256 5.457 3.038) 12.008 9.194 ( 6.580 -1.096 -0.959) 6.739 9.194 ( 6.580 1.096 -0.959) 6.739 9.591 ( 8.862 -5.524 0.157) 10.444 9.591 ( 8.862 5.524 0.157) 10.444 9.837 ( 5.120 -5.628 1.787) 7.816 9.837 ( 5.120 5.629 1.787) 7.816 10.045 ( 6.546 -3.630 -2.008) 7.750 10.045 ( 6.546 3.630 -2.008) 7.750 10.245 ( 9.595 -3.323 -3.239) 10.658 10.245 ( 9.595 3.323 -3.239) 10.658 10.312 ( 5.166 -2.760 0.031) 5.857 10.312 ( 5.166 2.760 0.031) 5.857 10.581 ( 7.428 -4.965 4.986) 10.232 10.581 ( 7.428 4.965 4.986) 10.232 11.274 ( 7.916 -2.523 -3.328) 8.950 11.274 ( 7.916 2.523 -3.328) 8.950 11.362 ( 7.510 -7.062 -1.472) 10.413 11.362 ( 7.510 7.062 -1.472) 10.413 11.851 ( 17.367 -2.726 -0.251) 17.582 11.851 ( 17.367 2.726 -0.251) 17.582 12.802 ( -1.202 -5.537 -1.388) 5.834 12.802 ( -1.202 5.537 -1.388) 5.834 13.052 ( -4.550 -5.100 3.831) 7.835 13.052 ( -4.550 5.100 3.831) 7.835 13.159 ( -3.981 -1.950 -3.058) 5.385 13.159 ( -3.981 1.950 -3.058) 5.385 13.808 ( -3.744 -3.945 -10.368) 11.708 13.808 ( -3.744 3.945 -10.368) 11.708 13.950 ( -6.549 -1.322 4.238) 7.912 13.950 ( -6.549 1.322 4.238) 7.912 14.211 ( -6.180 -4.864 -3.722) 8.701 14.211 ( -6.180 4.864 -3.722) 8.701 15.414 ( -5.917 -7.896 7.244) 12.241 15.414 ( -5.917 7.896 7.244) 12.241 15.982 ( -10.797 -3.030 1.033) 11.262 15.982 ( -10.797 3.030 1.033) 11.262 17.376 ( 1.264 -0.589 0.523) 1.489 17.376 ( 1.264 0.589 0.523) 1.489 17.463 ( 1.589 -0.529 -0.413) 1.725 17.463 ( 1.589 0.529 -0.413) 1.725 18.426 ( -0.768 -0.907 0.975) 1.537 18.426 ( -0.768 0.907 0.975) 1.537 18.483 ( -0.573 -0.441 -0.922) 1.172 18.483 ( -0.573 0.441 -0.922) 1.172 18.639 ( 0.110 -2.270 0.492) 2.325 18.639 ( 0.110 2.270 0.492) 2.325 18.727 ( -0.250 -1.636 -0.521) 1.735 18.727 ( -0.250 1.636 -0.521) 1.735 18.824 ( 1.130 -0.655 0.281) 1.336 18.824 ( 1.130 0.655 0.281) 1.336 19.063 ( 0.784 -0.573 0.084) 0.974 19.063 ( 0.784 0.573 0.084) 0.974 34.978 ( 0.124 -0.532 0.531) 0.762 34.978 ( 0.124 0.532 0.531) 0.762 35.026 ( 0.253 -0.597 -0.374) 0.748 35.026 ( 0.253 0.597 -0.374) 0.748 35.225 ( -0.784 -0.440 -0.107) 0.905 35.225 ( -0.784 0.440 -0.107) 0.905 35.261 ( -0.718 -0.043 -0.438) 0.842 35.261 ( -0.718 0.043 -0.438) 0.842 51.511 ( -1.834 -3.591 -0.602) 4.077 51.511 ( -1.834 3.591 -0.602) 4.077 51.778 ( -2.309 -1.120 -5.071) 5.683 51.778 ( -2.309 1.120 -5.071) 5.683 52.084 ( -4.027 -3.634 13.121) 14.197 52.084 ( -4.027 3.634 13.121) 14.197 52.695 ( -12.930 -9.207 -1.739) 15.968 52.695 ( -12.930 9.207 -1.739) 15.968 ======================= Grid point 36 (20/90) ======================= q-point: ( 0.21 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 18.007 -4.494 3.588) 18.903 1.702 ( 18.007 4.494 3.588) 18.903 1.772 ( 18.902 -5.433 4.530) 20.182 1.772 ( 18.902 5.433 4.530) 20.182 2.218 ( 9.475 -4.812 -5.881) 12.146 2.218 ( 9.475 4.812 -5.881) 12.146 2.344 ( 9.621 -2.250 -6.244) 11.688 2.344 ( 9.621 2.250 -6.244) 11.688 2.482 ( 11.996 -1.141 1.509) 12.145 2.482 ( 11.996 1.141 1.509) 12.145 2.639 ( 9.252 -2.482 0.575) 9.596 2.639 ( 9.252 2.482 0.575) 9.596 2.788 ( 5.929 -6.351 1.688) 8.851 2.788 ( 5.929 6.351 1.688) 8.851 2.918 ( 5.778 -1.649 3.779) 7.098 2.918 ( 5.778 1.649 3.779) 7.098 2.950 ( 10.041 -3.790 1.180) 10.797 2.950 ( 10.041 3.790 1.180) 10.797 3.102 ( 5.200 -2.716 -1.777) 6.130 3.102 ( 5.200 2.716 -1.777) 6.130 3.188 ( 14.859 -5.383 -4.785) 16.512 3.188 ( 14.859 5.383 -4.785) 16.512 3.237 ( 11.170 -3.045 0.902) 11.613 3.237 ( 11.170 3.045 0.902) 11.613 3.344 ( 2.582 -2.390 2.329) 4.219 3.344 ( 2.582 2.390 2.329) 4.219 3.459 ( 3.432 -4.141 -0.465) 5.398 3.459 ( 3.432 4.141 -0.465) 5.398 3.542 ( 7.659 -4.826 0.346) 9.059 3.542 ( 7.659 4.826 0.346) 9.059 3.677 ( 4.656 -3.860 0.116) 6.049 3.677 ( 4.656 3.860 0.116) 6.049 3.785 ( 5.189 -2.599 3.092) 6.576 3.785 ( 5.189 2.599 3.092) 6.576 3.999 ( 8.986 -1.738 -2.242) 9.424 3.999 ( 8.986 1.738 -2.242) 9.424 4.148 ( 0.409 -2.025 -2.544) 3.277 4.148 ( 0.409 2.025 -2.544) 3.277 4.392 ( 4.534 -3.096 -5.745) 7.947 4.392 ( 4.534 3.096 -5.745) 7.947 4.509 ( -2.674 -1.465 0.563) 3.101 4.509 ( -2.674 1.465 0.563) 3.101 4.653 ( 0.709 -4.234 2.926) 5.195 4.653 ( 0.709 4.234 2.926) 5.195 4.793 ( -2.106 -3.767 2.547) 5.012 4.793 ( -2.106 3.767 2.547) 5.012 4.987 ( -6.463 -3.508 0.096) 7.354 4.987 ( -6.463 3.508 0.096) 7.354 7.125 ( 0.880 -3.759 0.886) 3.961 7.125 ( 0.880 3.759 0.886) 3.961 7.223 ( 7.514 -5.448 -0.650) 9.304 7.223 ( 7.514 5.448 -0.650) 9.304 7.450 ( 6.378 -6.053 0.941) 8.843 7.450 ( 6.378 6.053 0.941) 8.843 8.001 ( 7.948 -0.724 0.969) 8.040 8.001 ( 7.948 0.724 0.969) 8.040 8.257 ( 5.554 -5.524 -2.118) 8.114 8.257 ( 5.554 5.524 -2.118) 8.114 8.484 ( 8.300 -0.954 -3.548) 9.077 8.484 ( 8.300 0.954 -3.548) 9.077 8.766 ( 1.323 -3.489 1.896) 4.185 8.766 ( 1.323 3.489 1.896) 4.185 9.195 ( 7.390 -7.550 0.786) 10.594 9.195 ( 7.390 7.550 0.786) 10.594 9.373 ( 12.031 -0.993 -0.908) 12.106 9.373 ( 12.031 0.993 -0.908) 12.106 9.710 ( 3.848 -4.734 1.443) 6.269 9.710 ( 3.848 4.734 1.443) 6.269 9.984 ( 8.451 -2.881 1.364) 9.033 9.984 ( 8.451 2.881 1.364) 9.033 10.127 ( 3.364 -4.295 -2.303) 5.922 10.127 ( 3.364 4.296 -2.303) 5.922 10.362 ( 2.946 -2.428 -0.407) 3.839 10.362 ( 2.946 2.428 -0.407) 3.839 10.467 ( 8.335 -5.063 1.305) 9.840 10.467 ( 8.335 5.063 1.305) 9.840 10.744 ( 8.025 -6.301 0.997) 10.252 10.744 ( 8.025 6.301 0.997) 10.252 11.345 ( 2.294 -1.266 0.732) 2.720 11.345 ( 2.294 1.266 0.732) 2.720 11.553 ( 10.659 -7.489 -2.693) 13.302 11.553 ( 10.659 7.489 -2.693) 13.302 12.236 ( 15.548 -0.701 -0.050) 15.564 12.236 ( 15.548 0.701 -0.050) 15.564 12.708 ( -5.023 -5.391 -1.153) 7.458 12.708 ( -5.023 5.391 -1.153) 7.458 13.027 ( 4.227 -2.875 1.679) 5.381 13.027 ( 4.227 2.875 1.679) 5.381 13.152 ( 1.075 -4.079 1.120) 4.365 13.152 ( 1.075 4.079 1.120) 4.365 13.671 ( -7.621 -1.556 -4.221) 8.850 13.671 ( -7.621 1.556 -4.221) 8.850 13.836 ( -3.816 -2.067 -3.132) 5.352 13.836 ( -3.816 2.067 -3.132) 5.352 14.156 ( 0.644 -6.108 -0.267) 6.147 14.156 ( 0.644 6.108 -0.267) 6.147 15.321 ( -4.898 -4.643 4.183) 7.940 15.321 ( -4.898 4.643 4.183) 7.940 15.770 ( -10.570 -2.588 0.640) 10.901 15.770 ( -10.570 2.588 0.640) 10.901 17.406 ( 1.644 -0.431 0.209) 1.713 17.406 ( 1.644 0.431 0.209) 1.713 17.496 ( 1.767 -0.260 -0.159) 1.793 17.496 ( 1.767 0.260 -0.159) 1.793 18.416 ( -0.626 -1.097 0.868) 1.533 18.416 ( -0.626 1.097 0.868) 1.533 18.469 ( -0.440 -0.602 -0.819) 1.107 18.469 ( -0.440 0.602 -0.819) 1.107 18.642 ( 0.143 -1.679 0.065) 1.686 18.642 ( 0.143 1.679 0.065) 1.686 18.716 ( -0.788 -1.284 -0.212) 1.522 18.716 ( -0.788 1.284 -0.212) 1.522 18.844 ( 0.918 -0.344 0.127) 0.988 18.844 ( 0.918 0.344 0.127) 0.988 19.077 ( 0.662 -0.171 0.080) 0.688 19.077 ( 0.662 0.171 0.080) 0.688 34.980 ( -0.140 -0.454 1.044) 1.147 34.980 ( -0.140 0.454 1.044) 1.147 35.028 ( 0.129 -0.644 -0.855) 1.079 35.028 ( 0.129 0.644 -0.855) 1.079 35.211 ( -0.709 -0.295 0.184) 0.790 35.211 ( -0.709 0.295 0.184) 0.790 35.242 ( -1.002 -0.034 -0.496) 1.119 35.242 ( -1.002 0.034 -0.496) 1.119 51.465 ( -2.582 -1.982 -0.727) 3.335 51.465 ( -2.582 1.982 -0.727) 3.335 51.711 ( -3.290 -0.545 -1.410) 3.621 51.711 ( -3.290 0.545 -1.410) 3.621 52.012 ( -6.210 -3.055 7.906) 10.507 52.012 ( -6.210 3.055 7.906) 10.507 52.414 ( -14.491 -6.140 -2.478) 15.932 52.414 ( -14.491 6.140 -2.478) 15.932 ======================= Grid point 38 (21/90) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 16.250 -1.797 4.485) 16.953 2.055 ( 16.250 1.797 4.485) 16.953 2.156 ( 18.605 -1.704 2.251) 18.817 2.156 ( 18.605 1.704 2.251) 18.817 2.384 ( 9.350 -2.322 -4.588) 10.671 2.384 ( 9.350 2.322 -4.588) 10.671 2.499 ( 8.393 -0.884 -3.380) 9.091 2.499 ( 8.393 0.884 -3.380) 9.091 2.686 ( 7.800 -1.235 0.895) 7.948 2.686 ( 7.800 1.235 0.895) 7.948 2.835 ( 9.073 -1.143 -0.876) 9.187 2.835 ( 9.073 1.143 -0.876) 9.187 2.913 ( 6.426 -4.822 0.389) 8.044 2.913 ( 6.426 4.822 0.389) 8.044 3.034 ( 5.118 -1.007 2.003) 5.587 3.034 ( 5.118 1.007 2.003) 5.587 3.116 ( 5.221 -0.446 1.977) 5.600 3.116 ( 5.221 0.446 1.977) 5.600 3.180 ( 3.388 -0.938 -0.800) 3.605 3.180 ( 3.388 0.938 -0.800) 3.605 3.314 ( 4.803 -1.100 -3.249) 5.902 3.314 ( 4.803 1.100 -3.249) 5.902 3.385 ( 1.167 -2.857 2.121) 3.745 3.385 ( 1.167 2.857 2.121) 3.745 3.474 ( 6.924 -3.802 -1.018) 7.965 3.474 ( 6.924 3.802 -1.018) 7.965 3.550 ( 5.569 -1.357 -1.514) 5.929 3.550 ( 5.569 1.357 -1.514) 5.929 3.677 ( 6.841 -0.941 -0.454) 6.920 3.677 ( 6.841 0.941 -0.454) 6.920 3.769 ( 4.690 -3.978 1.279) 6.281 3.769 ( 4.690 3.978 1.279) 6.281 3.867 ( 0.282 -2.692 1.721) 3.208 3.867 ( 0.282 2.692 1.721) 3.208 4.107 ( -1.784 -3.874 -0.490) 4.293 4.107 ( -1.784 3.874 -0.490) 4.293 4.195 ( 10.042 -3.190 1.512) 10.644 4.195 ( 10.042 3.190 1.512) 10.644 4.421 ( -0.442 -1.416 -3.503) 3.804 4.421 ( -0.442 1.416 -3.503) 3.804 4.507 ( 2.295 -2.530 -0.123) 3.418 4.507 ( 2.295 2.530 -0.123) 3.418 4.688 ( 1.689 -3.620 -1.938) 4.440 4.688 ( 1.689 3.620 -1.938) 4.440 4.828 ( 0.924 -1.318 -0.358) 1.649 4.828 ( 0.924 1.318 -0.358) 1.649 4.923 ( 4.897 -1.242 3.642) 6.228 4.923 ( 4.897 1.242 3.642) 6.228 7.169 ( 3.060 -4.235 3.655) 6.377 7.169 ( 3.060 4.235 3.655) 6.377 7.382 ( 8.604 -4.721 -3.130) 10.301 7.382 ( 8.604 4.721 -3.130) 10.301 7.571 ( 5.632 -3.657 -0.113) 6.716 7.571 ( 5.632 3.657 -0.113) 6.716 8.141 ( 5.765 -0.149 0.082) 5.768 8.141 ( 5.765 0.149 0.082) 5.768 8.319 ( 1.997 -5.317 -2.298) 6.127 8.319 ( 1.997 5.317 -2.298) 6.127 8.619 ( 6.553 -2.294 -1.935) 7.207 8.619 ( 6.553 2.294 -1.935) 7.207 8.835 ( 4.452 -2.664 2.369) 5.703 8.835 ( 4.452 2.664 2.369) 5.703 9.299 ( 3.486 -3.721 -0.866) 5.172 9.299 ( 3.486 3.722 -0.866) 5.172 9.617 ( 12.188 -2.202 -2.795) 12.697 9.617 ( 12.188 2.202 -2.795) 12.696 9.786 ( 3.802 -4.809 3.049) 6.846 9.786 ( 3.802 4.809 3.049) 6.846 10.106 ( 1.022 -3.738 1.055) 4.016 10.106 ( 1.022 3.738 1.055) 4.016 10.207 ( 7.463 -3.374 -0.691) 8.219 10.207 ( 7.463 3.374 -0.691) 8.219 10.399 ( 1.408 -4.532 0.380) 4.761 10.399 ( 1.408 4.532 0.380) 4.761 10.614 ( 6.472 -4.679 0.739) 8.020 10.614 ( 6.472 4.679 0.739) 8.020 10.900 ( 7.802 -1.508 0.234) 7.950 10.900 ( 7.802 1.508 0.234) 7.950 11.390 ( 2.304 -1.396 -0.131) 2.697 11.390 ( 2.304 1.396 -0.131) 2.697 11.694 ( 2.839 -2.268 -1.543) 3.947 11.694 ( 2.839 2.268 -1.543) 3.947 12.200 ( -13.736 -2.455 -0.298) 13.957 12.200 ( -13.736 2.455 -0.298) 13.957 12.838 ( 12.102 -2.439 1.194) 12.403 12.838 ( 12.102 2.439 1.194) 12.403 13.091 ( -0.139 -1.573 0.911) 1.823 13.091 ( -0.139 1.573 0.911) 1.823 13.272 ( 11.308 -3.789 -0.168) 11.927 13.272 ( 11.308 3.789 -0.168) 11.927 13.535 ( -4.314 -2.857 0.358) 5.186 13.535 ( -4.314 2.857 0.358) 5.186 13.807 ( 2.727 -2.840 -4.757) 6.174 13.807 ( 2.727 2.840 -4.757) 6.175 14.205 ( 3.409 -4.672 0.793) 5.838 14.205 ( 3.409 4.672 0.793) 5.838 15.262 ( -1.848 -1.751 1.977) 3.224 15.262 ( -1.848 1.751 1.977) 3.224 15.588 ( -7.718 -1.805 0.363) 7.934 15.588 ( -7.718 1.805 0.363) 7.934 17.440 ( 1.699 -0.077 -0.215) 1.714 17.440 ( 1.699 0.077 -0.215) 1.714 17.530 ( 1.641 -0.039 0.246) 1.660 17.530 ( 1.641 0.039 0.246) 1.660 18.407 ( -0.510 -1.125 0.512) 1.337 18.407 ( -0.510 1.125 0.512) 1.337 18.461 ( -0.174 -0.597 -0.506) 0.802 18.461 ( -0.174 0.597 -0.506) 0.802 18.646 ( 0.249 -1.060 0.046) 1.090 18.646 ( 0.249 1.060 0.046) 1.090 18.696 ( -1.193 -0.845 -0.161) 1.470 18.696 ( -1.193 0.845 -0.161) 1.470 18.862 ( 0.867 -0.378 0.057) 0.948 18.862 ( 0.867 0.378 0.057) 0.948 19.089 ( 0.611 -0.493 0.055) 0.787 19.089 ( 0.611 0.493 0.055) 0.787 34.978 ( -0.499 -0.303 1.189) 1.325 34.978 ( -0.499 0.303 1.189) 1.325 35.026 ( -0.038 -0.474 -0.965) 1.075 35.026 ( -0.038 0.474 -0.965) 1.075 35.198 ( -0.756 -0.285 0.224) 0.838 35.198 ( -0.756 0.285 0.224) 0.838 35.222 ( -0.726 -0.193 -0.406) 0.854 35.222 ( -0.726 0.193 -0.406) 0.854 51.409 ( -2.751 -0.181 -0.538) 2.809 51.409 ( -2.751 0.181 -0.538) 2.809 51.646 ( -3.065 -1.947 0.481) 3.663 51.646 ( -3.065 1.947 0.481) 3.663 51.903 ( -6.399 -2.171 3.763) 7.734 51.903 ( -6.399 2.171 3.763) 7.734 52.129 ( -13.383 -3.415 -2.233) 13.991 52.129 ( -13.383 3.415 -2.233) 13.991 ======================= Grid point 40 (22/90) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 12.928 -2.381 3.003) 13.484 2.355 ( 12.928 2.381 3.003) 13.484 2.496 ( 14.668 -0.561 0.113) 14.679 2.496 ( 14.668 0.561 0.113) 14.679 2.557 ( 9.432 -2.110 -0.738) 9.693 2.557 ( 9.432 2.110 -0.738) 9.693 2.657 ( 8.495 -1.967 -1.796) 8.903 2.657 ( 8.495 1.967 -1.796) 8.903 2.812 ( 5.156 -0.170 0.832) 5.225 2.812 ( 5.156 0.170 0.832) 5.225 2.954 ( 3.851 -2.579 -0.824) 4.707 2.954 ( 3.851 2.579 -0.824) 4.707 3.016 ( 2.511 -3.932 -0.904) 4.752 3.016 ( 2.511 3.932 -0.904) 4.752 3.094 ( 0.543 -3.005 -0.477) 3.091 3.094 ( 0.543 3.005 -0.477) 3.091 3.200 ( 4.759 -1.250 2.493) 5.516 3.200 ( 4.759 1.250 2.493) 5.516 3.227 ( 0.751 -1.214 0.241) 1.447 3.227 ( 0.751 1.214 0.241) 1.447 3.393 ( 2.191 -1.475 -0.951) 2.807 3.393 ( 2.191 1.475 -0.951) 2.807 3.409 ( 2.193 -1.180 0.094) 2.492 3.409 ( 2.193 1.180 0.094) 2.492 3.541 ( 1.305 -2.805 0.554) 3.143 3.541 ( 1.305 2.805 0.554) 3.143 3.620 ( 1.511 -1.247 -0.701) 2.080 3.620 ( 1.511 1.247 -0.701) 2.080 3.762 ( -0.709 -1.300 0.950) 1.759 3.762 ( -0.709 1.300 0.950) 1.759 3.844 ( 4.341 -1.524 -6.286) 7.790 3.844 ( 4.341 1.524 -6.286) 7.790 3.865 ( 1.217 -3.429 2.344) 4.328 3.865 ( 1.217 3.429 2.344) 4.328 4.057 ( -3.175 -4.932 1.593) 6.078 4.057 ( -3.175 4.932 1.593) 6.078 4.342 ( 2.721 -1.072 -2.000) 3.543 4.342 ( 2.721 1.072 -2.000) 3.543 4.443 ( 3.222 -0.838 3.277) 4.671 4.443 ( 3.222 0.838 3.277) 4.671 4.555 ( 1.010 -1.585 4.076) 4.488 4.555 ( 1.010 1.585 4.076) 4.488 4.702 ( 3.547 -1.748 -5.688) 6.927 4.702 ( 3.547 1.748 -5.688) 6.927 4.882 ( 5.813 -2.411 -1.313) 6.429 4.882 ( 5.813 2.411 -1.313) 6.429 5.122 ( 10.521 -2.791 2.252) 11.116 5.122 ( 10.521 2.791 2.252) 11.116 7.264 ( 4.845 -4.584 5.967) 8.949 7.264 ( 4.845 4.585 5.967) 8.949 7.513 ( 5.414 -3.751 -6.171) 9.026 7.513 ( 5.414 3.751 -6.171) 9.026 7.670 ( 4.449 -1.397 0.767) 4.725 7.670 ( 4.449 1.397 0.767) 4.725 8.211 ( 1.597 -0.224 -2.427) 2.914 8.211 ( 1.597 0.224 -2.427) 2.914 8.361 ( 3.701 -4.782 -1.671) 6.273 8.361 ( 3.701 4.782 -1.671) 6.273 8.724 ( 3.922 -2.883 0.464) 4.890 8.724 ( 3.922 2.883 0.464) 4.890 8.936 ( 4.964 -2.518 2.196) 5.983 8.936 ( 4.964 2.518 2.196) 5.983 9.328 ( -0.222 -1.261 -1.084) 1.678 9.328 ( -0.222 1.261 -1.084) 1.678 9.798 ( 5.976 -4.692 1.149) 7.685 9.798 ( 5.976 4.692 1.149) 7.685 9.893 ( 7.046 -5.211 -3.402) 9.400 9.893 ( 7.046 5.211 -3.402) 9.400 10.088 ( -1.564 -4.365 2.801) 5.417 10.088 ( -1.564 4.365 2.801) 5.417 10.364 ( 6.307 -0.479 0.287) 6.331 10.364 ( 6.307 0.479 0.287) 6.331 10.437 ( 3.241 -4.932 0.653) 5.938 10.437 ( 3.241 4.932 0.653) 5.938 10.722 ( 4.523 -2.298 -0.908) 5.154 10.722 ( 4.523 2.298 -0.908) 5.154 11.058 ( 8.094 -2.867 1.577) 8.730 11.058 ( 8.094 2.867 1.577) 8.730 11.427 ( 1.078 -3.028 -1.190) 3.427 11.427 ( 1.078 3.028 -1.190) 3.428 11.637 ( -7.345 -0.217 -1.932) 7.598 11.637 ( -7.346 0.217 -1.932) 7.598 11.920 ( -12.890 -0.145 1.508) 12.978 11.920 ( -12.890 0.145 1.508) 12.978 12.996 ( 3.860 -1.494 0.389) 4.157 12.996 ( 3.860 1.494 0.389) 4.157 13.084 ( 0.026 -1.802 -0.137) 1.807 13.084 ( 0.026 1.802 -0.137) 1.807 13.422 ( 2.475 -5.138 -3.201) 6.540 13.422 ( 2.475 5.138 -3.202) 6.541 13.548 ( 4.285 -2.222 4.017) 6.279 13.548 ( 4.285 2.222 4.017) 6.279 13.935 ( 10.704 -6.418 -2.643) 12.757 13.935 ( 10.704 6.418 -2.643) 12.757 14.266 ( 2.059 -2.684 0.890) 3.498 14.266 ( 2.059 2.684 0.890) 3.498 15.266 ( 1.735 -0.246 0.887) 1.964 15.266 ( 1.735 0.246 0.887) 1.964 15.479 ( -3.428 -1.128 0.234) 3.616 15.479 ( -3.428 1.128 0.234) 3.616 17.470 ( 1.385 -0.566 -0.390) 1.546 17.470 ( 1.385 0.566 -0.390) 1.546 17.559 ( 1.216 -0.131 0.400) 1.287 17.559 ( 1.216 0.131 0.400) 1.287 18.399 ( -0.354 -1.026 0.206) 1.104 18.399 ( -0.354 1.026 0.206) 1.104 18.459 ( 0.042 -0.505 -0.228) 0.556 18.459 ( 0.042 0.505 -0.228) 0.556 18.652 ( 0.261 -0.530 0.222) 0.631 18.652 ( 0.261 0.530 0.222) 0.631 18.671 ( -1.171 -0.525 -0.278) 1.313 18.671 ( -1.171 0.525 -0.278) 1.313 18.879 ( 0.776 -0.690 0.033) 1.039 18.879 ( 0.776 0.690 0.033) 1.039 19.101 ( 0.513 -1.117 0.011) 1.229 19.101 ( 0.513 1.117 0.011) 1.229 34.968 ( -0.794 -0.256 0.946) 1.261 34.968 ( -0.794 0.256 0.946) 1.261 35.022 ( -0.140 -0.196 -0.688) 0.729 35.022 ( -0.140 0.196 -0.688) 0.729 35.183 ( -0.700 -0.339 -0.148) 0.792 35.183 ( -0.700 0.339 -0.148) 0.792 35.213 ( -0.156 -0.197 -0.026) 0.253 35.213 ( -0.156 0.197 -0.026) 0.253 51.364 ( -1.563 -1.562 -0.073) 2.211 51.364 ( -1.563 1.562 -0.073) 2.211 51.591 ( -2.831 -2.540 0.626) 3.855 51.591 ( -2.831 2.540 0.626) 3.855 51.793 ( -5.374 -1.501 1.074) 5.682 51.793 ( -5.374 1.501 1.074) 5.682 51.891 ( -9.958 -1.443 -1.088) 10.121 51.891 ( -9.958 1.443 -1.088) 10.121 ======================= Grid point 42 (23/90) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 8.402 -2.435 0.529) 8.764 2.573 ( 8.402 2.435 0.529) 8.764 2.671 ( 5.475 -2.787 -0.698) 6.183 2.671 ( 5.475 2.787 -0.698) 6.183 2.768 ( 8.183 -0.474 1.592) 8.350 2.768 ( 8.183 0.474 1.592) 8.350 2.824 ( 8.156 -1.434 0.696) 8.310 2.824 ( 8.156 1.434 0.696) 8.310 2.903 ( 4.252 -2.005 -0.548) 4.733 2.903 ( 4.252 2.005 -0.548) 4.733 2.973 ( -2.381 -0.269 -0.596) 2.469 2.973 ( -2.381 0.269 -0.596) 2.469 3.013 ( 0.512 -2.762 -0.127) 2.812 3.013 ( 0.512 2.762 -0.127) 2.812 3.116 ( 1.322 -1.603 -0.544) 2.148 3.116 ( 1.322 1.603 -0.544) 2.148 3.213 ( -1.956 -1.300 -0.423) 2.387 3.213 ( -1.956 1.300 -0.423) 2.387 3.284 ( 2.437 -0.582 2.170) 3.315 3.284 ( 2.437 0.582 2.170) 3.315 3.397 ( -2.276 -2.885 -0.738) 3.748 3.397 ( -2.276 2.885 -0.738) 3.748 3.439 ( 1.526 -1.822 -0.010) 2.377 3.439 ( 1.526 1.822 -0.010) 2.377 3.552 ( -0.513 -1.330 -0.335) 1.464 3.552 ( -0.513 1.330 -0.335) 1.464 3.618 ( 0.151 -1.266 -0.535) 1.382 3.618 ( 0.151 1.266 -0.535) 1.382 3.740 ( -0.190 -1.693 -0.585) 1.801 3.740 ( -0.190 1.693 -0.585) 1.801 3.871 ( -2.016 -5.445 2.853) 6.469 3.871 ( -2.017 5.445 2.852) 6.469 3.881 ( -0.251 -1.350 -2.109) 2.516 3.881 ( -0.251 1.350 -2.109) 2.517 4.040 ( 2.385 -4.345 -1.754) 5.258 4.040 ( 2.385 4.345 -1.754) 5.258 4.365 ( 0.952 -1.035 -0.365) 1.453 4.365 ( 0.952 1.035 -0.365) 1.453 4.452 ( -2.690 -2.976 2.874) 4.935 4.452 ( -2.690 2.976 2.874) 4.935 4.600 ( 3.119 -4.223 -0.984) 5.341 4.600 ( 3.119 4.223 -0.984) 5.341 4.806 ( 5.393 -3.009 0.638) 6.209 4.806 ( 5.393 3.009 0.638) 6.209 4.989 ( 4.631 -1.838 -1.781) 5.292 4.989 ( 4.631 1.838 -1.781) 5.292 5.298 ( 6.331 -2.592 0.974) 6.910 5.298 ( 6.331 2.592 0.974) 6.910 7.383 ( 4.887 -4.785 7.084) 9.847 7.383 ( 4.887 4.785 7.084) 9.847 7.545 ( 0.172 -0.422 -7.408) 7.422 7.545 ( 0.172 0.422 -7.408) 7.422 7.748 ( 2.858 -0.909 1.272) 3.258 7.748 ( 2.858 0.909 1.272) 3.258 8.213 ( 0.113 -0.439 -3.248) 3.279 8.213 ( 0.113 0.439 -3.248) 3.279 8.442 ( 4.160 -3.177 -1.033) 5.336 8.442 ( 4.160 3.177 -1.033) 5.336 8.769 ( 0.550 -2.467 1.883) 3.152 8.769 ( 0.550 2.467 1.883) 3.152 9.033 ( 3.968 -2.348 1.194) 4.763 9.033 ( 3.968 2.348 1.194) 4.763 9.296 ( -2.043 -2.439 -1.113) 3.371 9.296 ( -2.043 2.439 -1.113) 3.371 9.866 ( 0.709 -6.739 3.482) 7.619 9.866 ( 0.709 6.739 3.482) 7.619 10.006 ( 5.051 -4.031 -5.519) 8.498 10.006 ( 5.051 4.031 -5.519) 8.498 10.098 ( 1.578 -0.523 2.473) 2.980 10.098 ( 1.578 0.523 2.473) 2.980 10.419 ( 1.225 -1.408 -0.754) 2.013 10.419 ( 1.225 1.408 -0.754) 2.013 10.544 ( 4.916 -7.105 2.046) 8.879 10.544 ( 4.916 7.105 2.046) 8.879 10.788 ( 2.822 -6.208 -1.794) 7.051 10.788 ( 2.822 6.208 -1.794) 7.051 11.207 ( 4.307 -1.537 2.452) 5.189 11.207 ( 4.307 1.537 2.452) 5.189 11.377 ( -4.450 -2.280 -0.959) 5.091 11.377 ( -4.450 2.280 -0.959) 5.091 11.513 ( -2.283 -0.321 -2.700) 3.550 11.513 ( -2.283 0.321 -2.700) 3.550 11.722 ( -7.958 -2.854 1.875) 8.660 11.722 ( -7.958 2.855 1.875) 8.660 13.033 ( 0.602 -1.832 0.312) 1.954 13.033 ( 0.602 1.832 0.312) 1.954 13.088 ( 0.205 -2.904 -0.509) 2.956 13.088 ( 0.205 2.904 -0.509) 2.956 13.440 ( 0.869 -1.542 -1.025) 2.045 13.440 ( 0.869 1.542 -1.025) 2.045 13.625 ( 2.279 -1.946 1.269) 3.254 13.625 ( 2.280 1.946 1.269) 3.255 14.130 ( 8.247 -4.658 -1.078) 9.533 14.130 ( 8.247 4.658 -1.078) 9.533 14.282 ( -0.703 -1.722 0.763) 2.010 14.282 ( -0.703 1.722 0.763) 2.010 15.319 ( 2.722 -0.717 0.377) 2.840 15.319 ( 2.722 0.717 0.377) 2.840 15.447 ( -0.358 -1.032 0.149) 1.102 15.447 ( -0.358 1.032 0.149) 1.103 17.490 ( 0.762 -1.170 -0.277) 1.424 17.490 ( 0.762 1.170 -0.277) 1.424 17.579 ( 0.636 -0.425 0.274) 0.812 17.579 ( 0.636 0.425 0.274) 0.812 18.394 ( -0.177 -0.894 0.059) 0.914 18.394 ( -0.177 0.894 0.059) 0.914 18.460 ( 0.104 -0.448 -0.076) 0.467 18.460 ( 0.104 0.448 -0.076) 0.467 18.649 ( -0.710 -0.158 -0.020) 0.728 18.649 ( -0.710 0.158 -0.020) 0.728 18.658 ( 0.156 -0.112 0.007) 0.192 18.658 ( 0.156 0.112 0.007) 0.192 18.891 ( 0.472 -0.945 0.009) 1.056 18.891 ( 0.472 0.945 0.009) 1.056 19.109 ( 0.305 -1.542 -0.011) 1.572 19.109 ( 0.305 1.542 -0.011) 1.572 34.955 ( -0.655 -0.284 0.501) 0.872 34.955 ( -0.655 0.284 0.501) 0.872 35.018 ( -0.106 -0.233 -0.325) 0.414 35.018 ( -0.106 0.233 -0.325) 0.414 35.172 ( -0.324 -0.391 -0.217) 0.552 35.172 ( -0.324 0.391 -0.217) 0.552 35.213 ( 0.038 -0.092 0.097) 0.139 35.213 ( 0.037 0.092 0.097) 0.139 51.353 ( 0.455 -1.748 0.308) 1.833 51.353 ( 0.455 1.748 0.308) 1.833 51.531 ( -3.423 -1.993 -0.201) 3.966 51.531 ( -3.423 1.993 -0.201) 3.966 51.701 ( -3.763 -1.274 -0.172) 3.977 51.701 ( -3.763 1.274 -0.172) 3.977 51.752 ( -3.927 -0.689 0.222) 3.993 51.752 ( -3.927 0.689 0.222) 3.993 ======================= Grid point 44 (24/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 0.000 -1.183 -0.000) 1.183 2.660 ( 0.000 1.183 -0.000) 1.183 2.740 ( 0.000 -0.452 0.000) 0.452 2.740 ( 0.000 0.452 -0.000) 0.452 2.840 ( 0.000 -0.853 0.000) 0.853 2.840 ( 0.000 0.853 0.000) 0.853 2.886 ( 0.000 -1.921 -0.000) 1.921 2.886 ( 0.000 1.921 0.000) 1.921 2.945 ( -0.000 -0.372 -0.000) 0.372 2.945 ( 0.000 0.372 0.000) 0.372 2.979 ( 0.000 -0.486 -0.000) 0.486 2.979 ( -0.000 0.486 0.000) 0.486 3.028 ( 0.000 -1.426 -0.000) 1.426 3.028 ( 0.000 1.426 0.000) 1.426 3.134 ( 0.000 -1.343 -0.000) 1.343 3.134 ( -0.000 1.343 0.000) 1.343 3.169 ( 0.000 -0.990 0.000) 0.990 3.169 ( -0.000 0.990 -0.000) 0.990 3.319 ( 0.000 -0.839 0.000) 0.839 3.319 ( 0.000 0.840 0.000) 0.840 3.341 ( 0.000 -1.483 0.000) 1.483 3.341 ( -0.000 1.483 -0.000) 1.483 3.464 ( 0.000 -2.674 -0.000) 2.674 3.464 ( -0.000 2.674 -0.000) 2.674 3.535 ( 0.000 -0.138 0.000) 0.138 3.535 ( 0.000 0.138 0.000) 0.138 3.633 ( 0.000 -0.198 -0.000) 0.198 3.633 ( 0.000 0.198 -0.000) 0.198 3.740 ( -0.000 -1.693 0.000) 1.693 3.740 ( 0.000 1.693 -0.000) 1.693 3.828 ( -0.000 -2.617 0.000) 2.617 3.828 ( -0.000 2.617 -0.000) 2.617 3.880 ( 0.000 -0.333 0.000) 0.333 3.880 ( 0.000 0.333 -0.000) 0.333 4.075 ( 0.000 -5.452 -0.000) 5.452 4.075 ( 0.000 5.452 0.000) 5.452 4.378 ( 0.000 -1.276 0.000) 1.276 4.378 ( 0.000 1.276 0.000) 1.276 4.419 ( 0.000 -4.118 0.000) 4.118 4.419 ( -0.000 4.118 -0.000) 4.118 4.633 ( 0.000 -4.843 -0.000) 4.843 4.633 ( 0.000 4.843 0.000) 4.843 4.865 ( 0.000 -2.719 -0.000) 2.719 4.865 ( 0.000 2.720 0.000) 2.720 5.034 ( 0.000 -0.707 0.000) 0.707 5.034 ( 0.000 0.707 -0.000) 0.707 5.363 ( 0.000 -2.411 0.000) 2.411 5.363 ( 0.000 2.411 0.000) 2.411 7.480 ( -0.001 -4.613 -0.002) 4.613 7.480 ( 0.001 4.613 0.002) 4.613 7.496 ( 0.001 -1.514 0.002) 1.514 7.496 ( -0.001 1.514 -0.002) 1.514 7.779 ( 0.000 -0.630 0.000) 0.630 7.779 ( 0.000 0.630 0.000) 0.630 8.208 ( 0.000 -0.758 -0.000) 0.758 8.208 ( 0.000 0.758 0.000) 0.758 8.488 ( 0.000 -0.209 0.000) 0.209 8.488 ( 0.000 0.209 0.000) 0.209 8.773 ( 0.000 -1.312 -0.000) 1.312 8.773 ( 0.000 1.312 0.000) 1.312 9.079 ( 0.000 -0.007 0.000) 0.007 9.079 ( 0.000 0.008 0.000) 0.008 9.268 ( -0.000 -2.865 -0.000) 2.865 9.268 ( 0.000 2.865 0.000) 2.865 9.873 ( 0.000 -7.456 0.000) 7.456 9.873 ( 0.000 7.456 -0.000) 7.456 10.048 ( 0.000 -2.388 0.000) 2.388 10.048 ( 0.000 2.388 -0.000) 2.388 10.125 ( 0.000 -1.221 0.000) 1.221 10.125 ( 0.000 1.221 -0.000) 1.221 10.431 ( 0.000 -0.685 0.000) 0.685 10.431 ( 0.000 0.685 0.000) 0.685 10.597 ( 0.000 -10.599 -0.000) 10.599 10.597 ( 0.000 10.599 -0.000) 10.599 10.819 ( 0.000 -8.260 0.000) 8.260 10.819 ( 0.000 8.260 0.000) 8.260 11.194 ( 0.000 -3.071 0.000) 3.071 11.194 ( 0.000 3.072 0.000) 3.072 11.404 ( -0.000 -9.774 -0.000) 9.774 11.404 ( -0.000 9.774 -0.000) 9.774 11.463 ( 0.000 -0.593 0.000) 0.593 11.463 ( 0.000 0.593 0.000) 0.593 11.640 ( 0.000 -4.658 0.000) 4.658 11.640 ( -0.000 4.658 0.000) 4.658 13.037 ( 0.000 -0.776 0.000) 0.776 13.037 ( 0.000 0.777 0.000) 0.777 13.089 ( 0.000 -1.511 -0.000) 1.511 13.089 ( 0.000 1.511 0.000) 1.511 13.449 ( 0.000 -0.830 0.000) 0.830 13.449 ( 0.000 0.830 0.000) 0.830 13.648 ( 0.000 -1.184 -0.000) 1.184 13.648 ( 0.000 1.184 0.000) 1.184 14.232 ( 0.000 -1.531 -0.000) 1.531 14.232 ( -0.000 1.530 0.000) 1.530 14.253 ( 0.000 -2.881 -0.000) 2.881 14.253 ( -0.000 2.881 0.000) 2.881 15.349 ( 0.000 -1.074 -0.000) 1.074 15.349 ( 0.000 1.074 0.000) 1.074 15.447 ( 0.000 -1.366 0.000) 1.366 15.447 ( 0.000 1.366 0.000) 1.366 17.497 ( 0.000 -1.436 -0.000) 1.436 17.497 ( 0.000 1.437 0.000) 1.437 17.585 ( 0.000 -0.584 0.000) 0.584 17.585 ( 0.000 0.584 0.000) 0.584 18.393 ( 0.000 -0.834 -0.000) 0.834 18.393 ( 0.000 0.834 0.000) 0.834 18.462 ( 0.000 -0.441 0.000) 0.441 18.462 ( 0.000 0.441 0.000) 0.441 18.642 ( 0.000 -0.021 0.000) 0.021 18.642 ( 0.000 0.021 0.000) 0.021 18.660 ( 0.000 -0.027 -0.000) 0.027 18.660 ( 0.000 0.027 -0.000) 0.027 18.896 ( 0.000 -1.042 0.000) 1.042 18.896 ( 0.000 1.043 0.000) 1.043 19.112 ( 0.000 -1.691 -0.000) 1.691 19.112 ( 0.000 1.691 -0.000) 1.691 34.949 ( 0.000 -0.293 0.000) 0.293 34.949 ( 0.000 0.293 0.000) 0.293 35.016 ( 0.000 -0.318 0.000) 0.318 35.016 ( 0.000 0.318 -0.000) 0.318 35.168 ( 0.000 -0.412 0.000) 0.412 35.168 ( 0.000 0.412 -0.000) 0.412 35.213 ( 0.000 -0.042 -0.000) 0.042 35.213 ( 0.000 0.042 0.000) 0.042 51.367 ( 0.000 -0.852 0.000) 0.852 51.367 ( 0.000 0.852 0.000) 0.852 51.484 ( 0.000 -1.536 0.000) 1.536 51.484 ( 0.000 1.536 0.000) 1.536 51.664 ( 0.000 -0.589 0.000) 0.589 51.664 ( 0.000 0.589 -0.000) 0.589 51.717 ( -0.000 -1.223 0.000) 1.223 51.717 ( 0.000 1.223 0.000) 1.223 ======================= Grid point 75 (25/90) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -2.085 0.000 24.792) 24.880 0.495 ( 1.987 0.000 25.845) 25.922 0.973 ( -0.794 0.000 49.622) 49.628 1.328 ( 5.299 0.000 -15.284) 16.177 1.344 ( 3.589 0.000 -14.318) 14.761 1.603 ( -4.256 0.000 7.408) 8.543 1.780 ( 0.716 0.000 3.766) 3.834 1.869 ( -2.773 0.000 -2.767) 3.917 2.072 ( -0.036 0.000 -5.724) 5.725 2.083 ( -0.488 0.000 -0.759) 0.903 2.165 ( 1.516 0.000 3.069) 3.423 2.318 ( -3.432 0.000 -8.786) 9.433 2.344 ( -4.785 0.000 -4.299) 6.432 2.476 ( 1.790 0.000 -7.889) 8.090 2.524 ( 4.183 0.000 7.298) 8.412 2.555 ( -4.026 0.000 -1.183) 4.196 2.670 ( 0.336 0.000 0.975) 1.031 2.726 ( -0.933 0.000 -4.482) 4.578 2.783 ( -1.297 0.000 6.229) 6.363 2.823 ( -0.961 0.000 -2.953) 3.106 2.858 ( -0.488 0.000 -0.674) 0.832 2.873 ( 0.257 0.000 -0.034) 0.259 2.924 ( 0.588 0.000 -1.951) 2.037 2.984 ( 1.009 0.000 -2.213) 2.432 3.090 ( 0.294 0.000 -3.325) 3.338 3.105 ( 1.252 0.000 -3.506) 3.723 3.193 ( -0.634 0.000 0.949) 1.142 3.202 ( 1.694 0.000 0.451) 1.753 3.208 ( 0.093 0.000 1.161) 1.165 3.385 ( -1.987 0.000 4.981) 5.363 3.403 ( -0.049 0.000 -9.489) 9.489 3.501 ( 0.789 0.000 -0.946) 1.231 3.735 ( 0.816 0.000 1.058) 1.336 3.757 ( 1.502 0.000 3.760) 4.048 3.774 ( -3.414 0.000 3.675) 5.016 3.834 ( 0.708 0.000 2.416) 2.518 3.916 ( -0.571 0.000 2.211) 2.284 4.086 ( -0.539 0.000 -4.133) 4.168 4.137 ( 1.976 0.000 0.636) 2.076 4.401 ( -0.159 0.000 -10.545) 10.547 4.471 ( -0.769 0.000 -0.841) 1.140 4.475 ( 0.344 0.000 -0.196) 0.396 4.632 ( 0.433 0.000 5.461) 5.479 4.779 ( -2.343 0.000 3.934) 4.579 4.929 ( -0.103 0.000 -3.435) 3.436 4.977 ( 1.391 0.000 -0.304) 1.424 5.243 ( -0.183 0.000 7.550) 7.552 5.447 ( 0.454 0.000 -2.947) 2.982 6.820 ( -1.002 0.000 5.082) 5.180 6.948 ( -2.917 0.000 -0.248) 2.927 7.045 ( 4.123 0.000 -2.634) 4.893 7.071 ( 0.325 0.000 -2.645) 2.665 7.180 ( 15.246 0.000 -0.813) 15.268 7.186 ( -7.065 0.000 -0.630) 7.093 7.645 ( -0.120 0.000 1.272) 1.277 7.666 ( 0.488 0.000 -1.093) 1.198 7.957 ( -1.423 0.000 5.282) 5.470 8.086 ( -1.889 0.000 4.466) 4.849 8.360 ( 2.975 0.000 4.405) 5.316 8.424 ( 2.945 0.000 -5.422) 6.170 8.483 ( -6.574 0.000 -5.235) 8.403 8.585 ( -13.001 0.000 -3.247) 13.400 8.736 ( 2.970 0.000 5.056) 5.864 8.948 ( 0.576 0.000 -4.225) 4.264 8.996 ( -3.367 0.000 7.938) 8.622 9.085 ( 2.562 0.000 2.952) 3.909 9.144 ( -10.400 0.000 -5.574) 11.800 9.317 ( 0.108 0.000 -2.492) 2.494 9.337 ( 1.602 0.000 0.424) 1.657 9.510 ( -0.351 0.000 -7.493) 7.501 9.675 ( -0.708 0.000 3.523) 3.593 9.871 ( -2.478 0.000 -4.627) 5.248 9.888 ( 5.813 0.000 10.525) 12.023 10.236 ( 3.186 0.000 1.873) 3.696 10.236 ( -2.562 0.000 -6.948) 7.405 10.296 ( 3.063 0.000 -1.349) 3.347 10.460 ( 0.263 0.000 4.183) 4.192 10.519 ( 1.192 0.000 0.055) 1.194 10.590 ( 1.143 0.000 6.134) 6.240 10.865 ( 13.510 0.000 -5.036) 14.418 11.258 ( 0.832 0.000 -0.641) 1.050 11.284 ( -0.950 0.000 -1.386) 1.680 11.552 ( 0.694 0.000 3.996) 4.055 11.743 ( -1.460 0.000 -4.060) 4.315 12.649 ( 0.998 0.000 3.068) 3.226 12.827 ( -2.873 0.000 -5.619) 6.311 12.986 ( -10.430 0.000 2.342) 10.690 12.999 ( 5.944 0.000 1.228) 6.070 13.303 ( -4.149 0.000 1.421) 4.386 13.381 ( -0.370 0.000 -0.488) 0.612 13.525 ( -0.274 0.000 5.330) 5.337 13.828 ( 1.069 0.000 -5.955) 6.050 14.016 ( 7.530 0.000 -9.508) 12.128 14.024 ( -4.175 0.000 -9.689) 10.550 14.274 ( -1.830 0.000 2.197) 2.859 14.287 ( -1.091 0.000 1.936) 2.222 15.952 ( -3.237 0.000 7.970) 8.603 16.080 ( 0.705 0.000 0.325) 0.776 16.304 ( 1.851 0.000 3.013) 3.536 16.385 ( -2.880 0.000 -2.065) 3.543 17.356 ( 0.470 0.000 1.016) 1.120 17.383 ( 4.110 0.000 0.011) 4.111 17.397 ( -0.929 0.000 0.158) 0.942 17.410 ( 0.099 0.000 -0.579) 0.587 18.419 ( 0.166 0.000 1.224) 1.235 18.459 ( 0.833 0.000 1.182) 1.446 18.480 ( -0.446 0.000 -1.367) 1.438 18.498 ( -2.029 0.000 -0.433) 2.074 18.584 ( 0.358 0.000 1.553) 1.594 18.655 ( -0.095 0.000 -1.477) 1.480 18.735 ( -2.220 0.000 -0.151) 2.225 18.752 ( 0.711 0.000 0.710) 1.005 18.760 ( 5.980 0.000 -1.221) 6.103 18.782 ( 0.270 0.000 -0.477) 0.548 19.021 ( 0.322 0.000 0.689) 0.760 19.046 ( -0.151 0.000 -0.408) 0.435 34.965 ( 0.361 0.000 0.943) 1.010 34.988 ( -1.038 0.000 0.289) 1.078 35.006 ( 1.156 0.000 -0.080) 1.158 35.029 ( -1.281 0.000 -1.499) 1.972 35.251 ( 0.550 0.000 -0.034) 0.551 35.252 ( -1.132 0.000 0.131) 1.139 35.260 ( 0.109 0.000 -0.526) 0.538 35.272 ( 0.532 0.000 -0.474) 0.713 51.460 ( -1.321 0.000 0.865) 1.579 51.565 ( 1.479 0.000 -4.706) 4.933 51.850 ( -1.584 0.000 9.372) 9.505 51.914 ( 0.502 0.000 6.580) 6.599 52.366 ( 1.801 0.000 -2.218) 2.857 52.396 ( 0.077 0.000 -2.561) 2.562 53.269 ( 0.396 0.000 0.530) 0.662 53.299 ( -0.254 0.000 -0.734) 0.777 ======================= Grid point 76 (26/90) ======================= q-point: ( 0.07 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 19.279 0.000 14.971) 24.409 0.889 ( 21.597 0.000 18.154) 28.214 1.303 ( 13.974 0.000 6.615) 15.461 1.478 ( 19.266 0.000 10.218) 21.807 1.493 ( 14.795 0.000 -15.977) 21.775 1.734 ( 12.827 0.000 10.160) 16.363 1.872 ( 6.117 0.000 4.952) 7.870 1.923 ( 7.520 0.000 2.187) 7.832 2.058 ( 3.453 0.000 -4.346) 5.551 2.074 ( 1.301 0.000 -3.875) 4.088 2.218 ( 3.608 0.000 2.566) 4.428 2.290 ( 1.402 0.000 -6.017) 6.178 2.369 ( 6.955 0.000 -2.365) 7.346 2.467 ( 5.750 0.000 -14.959) 16.026 2.606 ( 4.406 0.000 5.033) 6.689 2.671 ( 7.006 0.000 3.796) 7.969 2.729 ( 2.277 0.000 -5.215) 5.690 2.734 ( 5.026 0.000 1.168) 5.160 2.844 ( 4.529 0.000 -2.228) 5.048 2.854 ( 5.604 0.000 6.735) 8.762 2.908 ( 5.749 0.000 -0.417) 5.764 2.919 ( 4.187 0.000 0.460) 4.212 2.950 ( 2.713 0.000 -1.032) 2.902 3.016 ( 3.331 0.000 -3.321) 4.704 3.129 ( 4.130 0.000 -3.004) 5.107 3.157 ( 4.537 0.000 -4.060) 6.088 3.204 ( 2.006 0.000 -0.690) 2.121 3.214 ( 1.250 0.000 1.549) 1.991 3.293 ( 6.165 0.000 -1.157) 6.272 3.410 ( 3.005 0.000 -7.307) 7.901 3.410 ( 2.434 0.000 4.699) 5.292 3.567 ( 5.723 0.000 -0.765) 5.774 3.722 ( -1.245 0.000 2.401) 2.705 3.799 ( 3.956 0.000 0.788) 4.034 3.813 ( 2.944 0.000 -0.764) 3.041 3.877 ( 2.872 0.000 2.832) 4.033 3.937 ( 2.070 0.000 5.147) 5.548 4.068 ( 0.060 0.000 -4.414) 4.414 4.176 ( 1.503 0.000 2.260) 2.714 4.360 ( -0.882 0.000 -10.140) 10.178 4.441 ( -1.521 0.000 -1.890) 2.426 4.486 ( 1.170 0.000 -0.110) 1.175 4.650 ( -0.430 0.000 5.458) 5.475 4.718 ( -4.491 0.000 1.008) 4.602 4.902 ( -1.661 0.000 -0.759) 1.826 4.976 ( -1.511 0.000 0.160) 1.519 5.217 ( -4.654 0.000 6.409) 7.921 5.394 ( -4.863 0.000 -3.050) 5.740 6.838 ( 1.676 0.000 3.969) 4.308 6.944 ( 2.618 0.000 -0.742) 2.721 7.076 ( 1.138 0.000 -2.795) 3.018 7.121 ( 1.590 0.000 0.393) 1.637 7.165 ( 6.489 0.000 -4.413) 7.847 7.533 ( 10.413 0.000 -0.195) 10.415 7.675 ( 6.689 0.000 -4.118) 7.855 7.725 ( 6.247 0.000 -1.757) 6.490 7.976 ( 1.152 0.000 6.357) 6.460 8.104 ( 2.157 0.000 1.381) 2.561 8.351 ( -2.049 0.000 -6.280) 6.606 8.387 ( 0.673 0.000 7.462) 7.492 8.574 ( 8.183 0.000 -0.828) 8.225 8.584 ( 8.939 0.000 -3.949) 9.772 8.865 ( 7.896 0.000 1.817) 8.102 8.951 ( 1.592 0.000 -6.124) 6.328 9.005 ( 4.345 0.000 7.849) 8.972 9.072 ( 0.868 0.000 -2.543) 2.687 9.253 ( 11.990 0.000 9.510) 15.304 9.421 ( 5.956 0.000 1.925) 6.260 9.515 ( 14.119 0.000 1.071) 14.160 9.596 ( 10.437 0.000 -11.026) 15.182 9.732 ( 4.651 0.000 2.937) 5.501 9.862 ( 3.999 0.000 -3.406) 5.253 10.119 ( 15.098 0.000 2.430) 15.292 10.185 ( -0.867 0.000 -5.899) 5.963 10.268 ( 0.836 0.000 -3.570) 3.666 10.336 ( 2.238 0.000 -3.064) 3.794 10.496 ( 3.851 0.000 3.330) 5.091 10.573 ( 4.329 0.000 1.027) 4.449 10.794 ( 14.824 0.000 6.410) 16.151 11.206 ( 12.857 0.000 -17.759) 21.924 11.270 ( 0.181 0.000 -2.516) 2.522 11.307 ( 7.306 0.000 -3.666) 8.175 11.624 ( 7.860 0.000 0.909) 7.912 11.724 ( 2.478 0.000 -4.222) 4.896 12.709 ( 3.670 0.000 2.782) 4.605 12.776 ( 1.692 0.000 -8.944) 9.103 12.908 ( -0.190 0.000 -1.302) 1.316 12.974 ( -9.006 0.000 9.221) 12.889 13.321 ( 4.923 0.000 -2.440) 5.495 13.336 ( -4.008 0.000 3.840) 5.550 13.555 ( 0.435 0.000 6.004) 6.020 13.793 ( -6.206 0.000 -15.468) 16.667 13.869 ( -3.601 0.000 -3.417) 4.964 14.092 ( 1.115 0.000 -7.905) 7.983 14.213 ( -5.086 0.000 2.052) 5.484 14.237 ( -3.044 0.000 4.465) 5.404 15.853 ( -9.416 0.000 6.874) 11.658 16.016 ( -7.752 0.000 2.590) 8.173 16.059 ( -20.759 0.000 14.611) 25.386 16.239 ( -8.393 0.000 0.009) 8.393 17.358 ( -0.052 0.000 0.263) 0.268 17.386 ( -0.321 0.000 -1.274) 1.314 17.408 ( 1.768 0.000 0.451) 1.825 17.453 ( 1.505 0.000 -0.569) 1.609 18.422 ( -0.304 0.000 1.523) 1.553 18.464 ( -0.588 0.000 -1.628) 1.731 18.477 ( 0.348 0.000 1.935) 1.966 18.478 ( -0.509 0.000 -0.924) 1.055 18.597 ( 0.423 0.000 1.865) 1.912 18.648 ( -0.160 0.000 -2.373) 2.378 18.698 ( -1.052 0.000 -0.818) 1.332 18.756 ( 0.624 0.000 0.896) 1.091 18.793 ( 0.874 0.000 -0.691) 1.114 18.850 ( 2.050 0.000 -3.149) 3.758 19.036 ( 0.988 0.000 0.889) 1.329 19.051 ( 0.642 0.000 -0.741) 0.980 34.977 ( 0.438 0.000 1.363) 1.431 34.981 ( 0.037 0.000 -0.219) 0.222 35.010 ( -0.178 0.000 -1.631) 1.641 35.032 ( 1.080 0.000 0.942) 1.433 35.228 ( -1.175 0.000 0.126) 1.182 35.254 ( -0.521 0.000 -0.554) 0.761 35.257 ( 0.080 0.000 -0.327) 0.337 35.269 ( -0.625 0.000 -0.119) 0.636 51.437 ( -1.061 0.000 0.909) 1.398 51.584 ( 0.979 0.000 -4.883) 4.980 51.839 ( -2.263 0.000 7.114) 7.466 51.925 ( -1.303 0.000 6.213) 6.348 52.338 ( -5.433 0.000 -3.483) 6.454 52.355 ( -2.318 0.000 -1.907) 3.002 52.926 ( -25.705 0.000 19.018) 31.976 53.155 ( -11.624 0.000 -1.611) 11.735 ======================= Grid point 77 (27/90) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 22.883 0.000 7.971) 24.231 1.347 ( 19.718 0.000 15.986) 25.384 1.508 ( 12.956 0.000 -11.658) 17.429 1.746 ( 14.337 0.000 -16.714) 22.020 2.023 ( 5.797 0.000 -0.873) 5.862 2.024 ( 20.447 0.000 4.135) 20.861 2.048 ( 7.691 0.000 10.271) 12.831 2.060 ( 16.623 0.000 5.279) 17.441 2.235 ( 12.614 0.000 0.678) 12.632 2.257 ( 20.218 0.000 6.709) 21.302 2.336 ( 7.822 0.000 1.787) 8.023 2.375 ( 9.492 0.000 -7.217) 11.924 2.515 ( 8.323 0.000 1.341) 8.430 2.636 ( 13.804 0.000 -6.916) 15.440 2.720 ( 6.539 0.000 0.376) 6.550 2.756 ( 2.018 0.000 0.260) 2.035 2.783 ( 4.544 0.000 -2.349) 5.115 2.892 ( 8.941 0.000 3.617) 9.645 2.961 ( 6.659 0.000 -1.516) 6.830 2.987 ( 5.614 0.000 -1.282) 5.759 3.006 ( 5.593 0.000 1.521) 5.796 3.029 ( 6.401 0.000 1.524) 6.580 3.090 ( 9.053 0.000 1.827) 9.235 3.110 ( 7.057 0.000 -2.284) 7.417 3.222 ( 6.801 0.000 -4.341) 8.068 3.260 ( 5.033 0.000 0.697) 5.081 3.269 ( 4.753 0.000 -2.308) 5.283 3.280 ( 6.774 0.000 1.624) 6.966 3.427 ( 7.468 0.000 -0.805) 7.511 3.463 ( 4.149 0.000 -4.544) 6.153 3.491 ( 4.365 0.000 2.985) 5.288 3.694 ( 6.578 0.000 -2.586) 7.068 3.718 ( 0.031 0.000 2.854) 2.855 3.864 ( 4.069 0.000 -3.802) 5.569 3.916 ( 7.595 0.000 -1.759) 7.796 3.954 ( 3.942 0.000 1.177) 4.114 4.021 ( 3.175 0.000 6.691) 7.406 4.069 ( 1.521 0.000 -3.633) 3.938 4.216 ( 2.022 0.000 4.325) 4.774 4.310 ( -0.902 0.000 -7.705) 7.758 4.403 ( -1.682 0.000 -2.733) 3.209 4.544 ( 5.618 0.000 -1.213) 5.747 4.615 ( -5.710 0.000 -0.394) 5.724 4.647 ( -1.153 0.000 4.079) 4.239 4.871 ( -1.331 0.000 1.117) 1.738 4.923 ( -3.746 0.000 0.401) 3.767 5.106 ( -8.027 0.000 4.907) 9.407 5.245 ( -9.165 0.000 -3.125) 9.683 6.912 ( 4.615 0.000 1.824) 4.962 7.020 ( 3.878 0.000 0.881) 3.976 7.116 ( 4.932 0.000 -3.126) 5.839 7.181 ( 4.182 0.000 -0.298) 4.193 7.287 ( 6.673 0.000 -1.447) 6.828 7.575 ( -1.519 0.000 3.629) 3.934 7.877 ( 8.830 0.000 -1.959) 9.044 7.884 ( 11.458 0.000 -1.947) 11.622 8.035 ( 2.619 0.000 8.091) 8.504 8.176 ( 5.686 0.000 -2.468) 6.198 8.335 ( 2.351 0.000 -12.003) 12.231 8.444 ( 2.399 0.000 7.836) 8.195 8.674 ( 2.739 0.000 0.493) 2.783 8.763 ( 7.546 0.000 -2.464) 7.937 8.986 ( 6.062 0.000 -1.746) 6.308 9.012 ( 8.303 0.000 -7.760) 11.364 9.087 ( 1.356 0.000 -1.666) 2.148 9.254 ( 14.115 0.000 10.501) 17.593 9.511 ( 9.798 0.000 6.928) 12.000 9.571 ( 7.752 0.000 2.148) 8.044 9.808 ( 14.282 0.000 -7.430) 16.099 9.846 ( 16.994 0.000 3.991) 17.456 9.861 ( 7.424 0.000 1.984) 7.684 10.004 ( 8.946 0.000 0.758) 8.978 10.164 ( 0.610 0.000 -5.120) 5.156 10.258 ( 0.226 0.000 -3.748) 3.755 10.424 ( 8.473 0.000 -1.616) 8.625 10.443 ( 14.445 0.000 -0.129) 14.445 10.596 ( 3.671 0.000 5.217) 6.380 10.716 ( 9.890 0.000 -1.433) 9.994 11.080 ( 8.057 0.000 2.726) 8.506 11.288 ( 5.054 0.000 -4.005) 6.449 11.362 ( 14.286 0.000 -4.242) 14.902 11.397 ( 0.600 0.000 4.135) 4.179 11.889 ( 16.129 0.000 -0.484) 16.136 11.890 ( 17.875 0.000 -10.684) 20.825 12.746 ( -4.916 0.000 3.545) 6.061 12.801 ( 2.681 0.000 -14.286) 14.535 12.847 ( -1.708 0.000 10.042) 10.186 12.916 ( 0.700 0.000 -1.337) 1.509 13.284 ( -0.821 0.000 1.978) 2.141 13.337 ( -6.948 0.000 -1.095) 7.034 13.560 ( -4.909 0.000 -18.459) 19.101 13.564 ( -1.032 0.000 3.841) 3.977 13.887 ( 3.135 0.000 0.842) 3.246 13.980 ( -9.158 0.000 0.945) 9.206 14.087 ( -7.933 0.000 1.128) 8.012 14.247 ( 1.951 0.000 -0.199) 1.961 15.640 ( -13.317 0.000 11.504) 17.598 15.789 ( -11.478 0.000 7.144) 13.519 15.796 ( -14.260 0.000 0.645) 14.275 16.030 ( -11.211 0.000 -2.233) 11.432 17.371 ( 1.341 0.000 0.115) 1.346 17.384 ( 0.500 0.000 -1.301) 1.394 17.452 ( 2.338 0.000 0.820) 2.478 17.475 ( 1.108 0.000 -0.270) 1.140 18.417 ( -0.723 0.000 1.640) 1.792 18.445 ( -0.808 0.000 -1.791) 1.965 18.468 ( -0.173 0.000 -1.323) 1.334 18.481 ( -0.474 0.000 1.977) 2.033 18.613 ( 0.687 0.000 1.900) 2.021 18.637 ( -0.019 0.000 -2.821) 2.821 18.688 ( -0.005 0.000 -0.721) 0.721 18.770 ( 0.179 0.000 0.776) 0.796 18.809 ( 0.899 0.000 -0.610) 1.087 18.856 ( -0.006 0.000 -0.634) 0.634 19.060 ( 0.497 0.000 -0.997) 1.114 19.062 ( 1.288 0.000 0.940) 1.594 34.984 ( 0.326 0.000 -0.182) 0.374 34.989 ( 0.310 0.000 1.638) 1.667 35.007 ( 0.331 0.000 -2.242) 2.267 35.045 ( -0.246 0.000 1.466) 1.486 35.213 ( -0.369 0.000 0.287) 0.468 35.240 ( -0.742 0.000 -0.094) 0.748 35.251 ( -0.601 0.000 -0.461) 0.757 35.252 ( -0.973 0.000 -0.222) 0.998 51.426 ( -0.493 0.000 1.600) 1.674 51.562 ( -2.010 0.000 -2.676) 3.347 51.802 ( -3.419 0.000 4.595) 5.727 51.902 ( -2.831 0.000 5.169) 5.893 52.169 ( -9.952 0.000 -2.102) 10.172 52.264 ( -6.110 0.000 -2.475) 6.592 52.575 ( -16.471 0.000 16.109) 23.039 52.836 ( -18.244 0.000 -6.746) 19.451 ======================= Grid point 78 (28/90) ======================= q-point: ( 0.21 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 21.708 0.000 4.477) 22.165 1.747 ( 15.616 0.000 2.368) 15.794 1.778 ( 18.202 0.000 2.331) 18.351 1.946 ( 12.030 0.000 -13.262) 17.905 2.189 ( 10.743 0.000 1.743) 10.884 2.253 ( 9.298 0.000 8.909) 12.877 2.291 ( 12.250 0.000 -5.251) 13.328 2.391 ( 14.408 0.000 5.411) 15.390 2.450 ( 9.489 0.000 -0.660) 9.512 2.519 ( 9.973 0.000 -0.527) 9.987 2.598 ( 13.158 0.000 -2.292) 13.357 2.599 ( 8.169 0.000 -0.604) 8.192 2.791 ( 2.362 0.000 -0.394) 2.395 2.826 ( 6.882 0.000 -2.235) 7.236 2.838 ( 21.061 0.000 3.115) 21.290 2.881 ( 6.097 0.000 -0.216) 6.101 2.930 ( 10.871 0.000 0.122) 10.872 3.042 ( 4.227 0.000 1.002) 4.344 3.079 ( 5.218 0.000 -0.330) 5.228 3.086 ( 6.525 0.000 -1.230) 6.640 3.156 ( 5.367 0.000 2.599) 5.963 3.177 ( 11.411 0.000 3.424) 11.913 3.247 ( 6.873 0.000 -0.918) 6.934 3.258 ( 9.217 0.000 -1.226) 9.298 3.355 ( 5.879 0.000 -3.153) 6.671 3.359 ( 4.651 0.000 3.254) 5.676 3.397 ( 10.114 0.000 -4.138) 10.928 3.460 ( 9.088 0.000 3.896) 9.888 3.542 ( 4.349 0.000 -1.120) 4.491 3.546 ( 3.483 0.000 5.608) 6.602 3.613 ( 7.449 0.000 -3.601) 8.274 3.757 ( 3.675 0.000 3.447) 5.039 3.787 ( 5.411 0.000 -6.188) 8.220 3.983 ( 7.996 0.000 -0.991) 8.057 4.033 ( 3.530 0.000 -2.011) 4.062 4.038 ( 4.446 0.000 -1.270) 4.624 4.043 ( -1.286 0.000 3.747) 3.961 4.091 ( 1.377 0.000 -4.952) 5.140 4.304 ( 4.731 0.000 4.167) 6.304 4.316 ( 2.966 0.000 -8.277) 8.792 4.372 ( 0.574 0.000 2.524) 2.589 4.515 ( -3.714 0.000 2.031) 4.233 4.650 ( 1.529 0.000 2.582) 3.000 4.706 ( 10.775 0.000 -3.004) 11.186 4.839 ( -4.722 0.000 0.852) 4.799 4.855 ( -1.533 0.000 1.232) 1.967 4.961 ( -6.135 0.000 2.572) 6.652 5.026 ( -11.753 0.000 -2.888) 12.102 7.016 ( 5.817 0.000 -2.056) 6.169 7.079 ( 2.267 0.000 2.760) 3.572 7.262 ( 9.701 0.000 -2.797) 10.096 7.273 ( 4.788 0.000 2.345) 5.331 7.420 ( 6.889 0.000 0.629) 6.918 7.559 ( -0.127 0.000 0.421) 0.440 8.036 ( 7.520 0.000 -0.168) 7.522 8.064 ( 5.535 0.000 3.392) 6.492 8.134 ( 5.418 0.000 7.034) 8.879 8.323 ( 10.632 0.000 -6.042) 12.229 8.345 ( 2.549 0.000 -12.081) 12.347 8.518 ( 2.771 0.000 5.947) 6.561 8.720 ( 2.535 0.000 0.487) 2.581 8.844 ( 2.830 0.000 -2.553) 3.812 9.115 ( 7.159 0.000 -1.266) 7.270 9.125 ( 3.235 0.000 -0.485) 3.271 9.232 ( 14.316 0.000 -5.675) 15.400 9.522 ( 9.175 0.000 7.809) 12.048 9.694 ( 7.899 0.000 3.391) 8.596 9.720 ( 6.885 0.000 1.574) 7.063 10.005 ( 8.135 0.000 -4.245) 9.176 10.108 ( 15.382 0.000 -0.103) 15.382 10.124 ( 9.682 0.000 2.186) 9.926 10.150 ( 5.831 0.000 -4.317) 7.254 10.193 ( 3.696 0.000 2.591) 4.514 10.257 ( 1.178 0.000 -2.927) 3.155 10.600 ( 3.529 0.000 1.950) 4.032 10.653 ( 7.701 0.000 0.316) 7.708 10.673 ( 6.321 0.000 7.872) 10.096 10.851 ( 2.889 0.000 -6.064) 6.717 11.209 ( 7.891 0.000 -1.380) 8.011 11.384 ( 1.097 0.000 3.973) 4.121 11.500 ( 12.099 0.000 3.805) 12.683 11.662 ( 12.209 0.000 -5.969) 13.590 12.167 ( 10.165 0.000 -5.776) 11.691 12.295 ( 19.561 0.000 2.443) 19.713 12.609 ( -8.542 0.000 5.215) 10.008 12.768 ( -0.880 0.000 -7.477) 7.528 12.911 ( 3.902 0.000 4.727) 6.130 12.934 ( 2.240 0.000 -0.331) 2.264 13.155 ( -2.149 0.000 -1.708) 2.745 13.329 ( 2.979 0.000 -0.411) 3.008 13.499 ( -0.115 0.000 -11.082) 11.083 13.559 ( 2.245 0.000 -4.008) 4.594 13.809 ( -8.072 0.000 5.476) 9.754 13.887 ( -8.367 0.000 1.927) 8.586 14.012 ( 4.805 0.000 1.791) 5.128 14.282 ( 1.905 0.000 -2.231) 2.934 15.444 ( -9.598 0.000 8.072) 12.542 15.518 ( -12.485 0.000 -2.655) 12.764 15.613 ( -7.966 0.000 2.772) 8.434 15.809 ( -10.579 0.000 -0.736) 10.605 17.396 ( 1.026 0.000 -1.343) 1.689 17.407 ( 2.088 0.000 0.331) 2.114 17.499 ( 1.527 0.000 -0.170) 1.536 17.500 ( 2.148 0.000 0.751) 2.275 18.406 ( -0.846 0.000 1.586) 1.798 18.425 ( -0.532 0.000 -1.731) 1.811 18.462 ( 0.037 0.000 -1.365) 1.365 18.474 ( -0.774 0.000 1.669) 1.839 18.632 ( 0.311 0.000 -2.411) 2.431 18.634 ( 0.795 0.000 1.813) 1.980 18.684 ( -0.271 0.000 -0.777) 0.823 18.760 ( -1.374 0.000 0.619) 1.507 18.824 ( 0.807 0.000 -0.351) 0.880 18.863 ( 0.701 0.000 0.590) 0.916 19.063 ( 0.116 0.000 -0.926) 0.933 19.090 ( 1.268 0.000 0.726) 1.461 34.991 ( 0.463 0.000 -0.414) 0.621 34.998 ( 0.008 0.000 1.621) 1.621 35.006 ( 0.287 0.000 -2.294) 2.312 35.034 ( -1.086 0.000 1.511) 1.861 35.209 ( -0.325 0.000 0.539) 0.629 35.226 ( -0.592 0.000 0.197) 0.624 35.231 ( -1.246 0.000 -0.487) 1.338 35.232 ( -0.885 0.000 -0.223) 0.913 51.425 ( -0.262 0.000 2.036) 2.053 51.496 ( -4.051 0.000 -0.222) 4.057 51.731 ( -4.897 0.000 3.140) 5.817 51.848 ( -3.856 0.000 3.524) 5.223 51.978 ( -8.424 0.000 -0.634) 8.447 52.112 ( -8.217 0.000 -2.955) 8.732 52.326 ( -13.587 0.000 8.971) 16.281 52.449 ( -17.727 0.000 -9.145) 19.947 ======================= Grid point 79 (29/90) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 14.515 0.000 -0.973) 14.547 2.063 ( 17.358 0.000 -1.737) 17.444 2.159 ( 18.032 0.000 5.731) 18.921 2.177 ( 14.434 0.000 -3.276) 14.801 2.421 ( 11.539 0.000 2.168) 11.741 2.461 ( 9.533 0.000 6.993) 11.823 2.500 ( 10.251 0.000 -5.456) 11.613 2.616 ( 7.940 0.000 -2.164) 8.230 2.656 ( 10.689 0.000 4.030) 11.423 2.694 ( 7.391 0.000 -1.433) 7.529 2.723 ( 5.619 0.000 0.858) 5.684 2.830 ( 9.868 0.000 1.334) 9.958 2.872 ( 6.462 0.000 -2.065) 6.784 2.952 ( 6.106 0.000 0.800) 6.159 2.970 ( 2.771 0.000 -1.743) 3.274 3.061 ( 1.402 0.000 0.144) 1.410 3.090 ( 7.108 0.000 -1.407) 7.246 3.149 ( 8.147 0.000 -3.755) 8.971 3.172 ( 4.471 0.000 0.667) 4.520 3.176 ( 2.996 0.000 -0.225) 3.004 3.245 ( 2.700 0.000 2.200) 3.483 3.344 ( 3.903 0.000 -0.516) 3.937 3.394 ( 5.696 0.000 1.295) 5.841 3.433 ( 5.185 0.000 1.043) 5.289 3.472 ( 5.100 0.000 2.237) 5.569 3.483 ( 9.176 0.000 -0.734) 9.206 3.563 ( 7.550 0.000 -3.963) 8.527 3.591 ( 0.730 0.000 -0.323) 0.798 3.614 ( 3.581 0.000 -0.021) 3.581 3.638 ( 6.398 0.000 3.277) 7.188 3.725 ( 5.419 0.000 -2.381) 5.919 3.830 ( -0.400 0.000 2.447) 2.480 3.879 ( 1.417 0.000 1.333) 1.946 3.971 ( -3.029 0.000 3.034) 4.287 4.083 ( 3.151 0.000 1.369) 3.436 4.148 ( 8.436 0.000 -0.675) 8.463 4.176 ( 6.765 0.000 4.128) 7.925 4.185 ( 13.327 0.000 -9.609) 16.431 4.292 ( -1.262 0.000 -3.177) 3.419 4.367 ( 0.809 0.000 0.823) 1.154 4.383 ( -1.508 0.000 -2.738) 3.126 4.596 ( 9.574 0.000 6.796) 11.740 4.720 ( -3.148 0.000 0.708) 3.227 4.743 ( -6.563 0.000 -2.817) 7.142 4.787 ( -2.858 0.000 0.981) 3.022 4.791 ( 2.087 0.000 -1.650) 2.660 4.957 ( 11.387 0.000 -0.378) 11.393 4.958 ( 3.790 0.000 -0.731) 3.859 7.126 ( 6.794 0.000 -6.434) 9.357 7.143 ( 3.311 0.000 3.900) 5.116 7.379 ( 4.710 0.000 5.306) 7.094 7.432 ( 7.217 0.000 -2.787) 7.736 7.558 ( 6.629 0.000 2.062) 6.942 7.593 ( 4.335 0.000 -1.049) 4.460 8.128 ( 0.635 0.000 1.638) 1.757 8.167 ( 5.411 0.000 1.473) 5.608 8.227 ( 1.055 0.000 6.341) 6.428 8.405 ( 6.916 0.000 -6.513) 9.500 8.537 ( 11.563 0.000 -4.803) 12.521 8.584 ( 3.094 0.000 1.632) 3.498 8.796 ( 5.224 0.000 0.585) 5.257 8.895 ( 3.666 0.000 -2.629) 4.511 9.201 ( 4.564 0.000 -2.453) 5.182 9.239 ( 5.301 0.000 -0.958) 5.387 9.499 ( 13.372 0.000 -0.905) 13.403 9.653 ( 3.212 0.000 3.402) 4.679 9.846 ( 5.157 0.000 1.707) 5.432 9.852 ( 7.108 0.000 2.815) 7.645 10.126 ( 4.404 0.000 -3.958) 5.921 10.207 ( 2.662 0.000 -1.587) 3.100 10.274 ( 3.756 0.000 1.496) 4.043 10.275 ( 4.180 0.000 -2.045) 4.653 10.312 ( 7.283 0.000 1.900) 7.527 10.418 ( 13.873 0.000 -0.327) 13.877 10.607 ( -0.634 0.000 3.184) 3.247 10.766 ( 3.096 0.000 -0.246) 3.106 10.835 ( -0.265 0.000 -3.704) 3.713 10.854 ( 7.774 0.000 5.017) 9.252 11.376 ( 8.372 0.000 -0.699) 8.401 11.418 ( 1.504 0.000 4.237) 4.496 11.714 ( 6.220 0.000 -1.141) 6.323 11.733 ( -1.920 0.000 -4.690) 5.068 12.150 ( -10.159 0.000 2.637) 10.495 12.203 ( -19.360 0.000 -1.459) 19.415 12.773 ( 14.206 0.000 2.129) 14.364 12.807 ( 5.094 0.000 -5.789) 7.711 13.001 ( 5.431 0.000 1.119) 5.545 13.038 ( 9.110 0.000 0.296) 9.115 13.304 ( -5.138 0.000 5.325) 7.400 13.332 ( 11.096 0.000 0.058) 11.096 13.487 ( 5.317 0.000 -3.550) 6.394 13.701 ( 5.331 0.000 -4.967) 7.286 13.720 ( 5.233 0.000 -0.487) 5.256 13.734 ( -5.358 0.000 0.678) 5.400 14.142 ( 6.384 0.000 3.677) 7.367 14.312 ( 1.970 0.000 -2.984) 3.576 15.315 ( -5.106 0.000 2.837) 5.841 15.321 ( -6.441 0.000 -2.461) 6.895 15.499 ( -4.371 0.000 2.204) 4.895 15.624 ( -7.861 0.000 0.379) 7.870 17.414 ( 1.165 0.000 -1.126) 1.620 17.451 ( 2.260 0.000 0.458) 2.306 17.532 ( 1.778 0.000 -0.067) 1.779 17.538 ( 1.490 0.000 0.370) 1.536 18.395 ( -0.646 0.000 1.514) 1.646 18.415 ( -0.003 0.000 -1.637) 1.637 18.460 ( 0.153 0.000 -1.202) 1.212 18.462 ( -0.886 0.000 1.329) 1.598 18.633 ( 0.435 0.000 -1.660) 1.716 18.653 ( 0.575 0.000 1.582) 1.683 18.672 ( -0.654 0.000 -0.923) 1.131 18.728 ( -1.910 0.000 0.724) 2.043 18.839 ( 0.801 0.000 -0.126) 0.811 18.882 ( 0.941 0.000 0.448) 1.042 19.062 ( 0.064 0.000 -0.417) 0.422 19.115 ( 1.102 0.000 0.332) 1.151 34.994 ( 0.052 0.000 -1.556) 1.557 34.998 ( -0.480 0.000 1.316) 1.400 35.007 ( 0.468 0.000 -1.323) 1.404 35.016 ( -1.210 0.000 1.699) 2.086 35.197 ( -1.194 0.000 0.130) 1.201 35.205 ( -0.952 0.000 0.049) 0.953 35.216 ( -0.460 0.000 -0.680) 0.821 35.220 ( -0.350 0.000 0.725) 0.804 51.413 ( -4.190 0.000 1.498) 4.450 51.426 ( -0.279 0.000 1.631) 1.655 51.639 ( -5.079 0.000 2.804) 5.802 51.776 ( -4.152 0.000 1.559) 4.435 51.838 ( -6.067 0.000 -0.119) 6.068 51.937 ( -8.233 0.000 -3.494) 8.944 52.089 ( -12.489 0.000 4.443) 13.256 52.112 ( -13.633 0.000 -7.308) 15.469 ======================= Grid point 80 (30/90) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 12.848 0.000 0.944) 12.882 2.341 ( 12.927 0.000 -5.104) 13.898 2.461 ( 12.852 0.000 2.587) 13.110 2.510 ( 16.015 0.000 3.306) 16.353 2.631 ( 9.306 0.000 1.892) 9.496 2.648 ( 6.697 0.000 -5.695) 8.791 2.678 ( 10.250 0.000 4.423) 11.163 2.752 ( 6.602 0.000 -1.202) 6.710 2.788 ( 3.744 0.000 -0.196) 3.749 2.800 ( 4.727 0.000 -1.506) 4.961 2.886 ( 7.896 0.000 6.410) 10.170 2.973 ( 1.207 0.000 0.205) 1.224 2.995 ( 4.267 0.000 -3.160) 5.310 3.000 ( 4.906 0.000 -1.067) 5.021 3.041 ( 1.496 0.000 3.868) 4.148 3.071 ( 2.650 0.000 -1.665) 3.130 3.210 ( 4.315 0.000 -1.796) 4.674 3.227 ( 2.572 0.000 -1.203) 2.840 3.243 ( 3.429 0.000 1.524) 3.752 3.259 ( 2.722 0.000 -2.109) 3.444 3.288 ( 2.253 0.000 1.105) 2.509 3.389 ( 0.944 0.000 -1.900) 2.121 3.461 ( 1.361 0.000 1.925) 2.358 3.494 ( 0.827 0.000 0.336) 0.893 3.521 ( 0.007 0.000 2.540) 2.540 3.570 ( -0.770 0.000 -0.166) 0.788 3.626 ( 4.073 0.000 1.287) 4.272 3.633 ( -1.879 0.000 0.445) 1.931 3.694 ( 6.556 0.000 -4.240) 7.807 3.724 ( 1.832 0.000 -7.498) 7.719 3.756 ( -0.238 0.000 0.376) 0.445 3.810 ( -5.626 0.000 3.177) 6.461 3.852 ( 4.071 0.000 1.522) 4.346 3.973 ( 0.531 0.000 1.187) 1.301 4.091 ( -7.042 0.000 6.262) 9.424 4.240 ( -0.600 0.000 -1.035) 1.196 4.258 ( 1.950 0.000 0.483) 2.009 4.275 ( 3.062 0.000 0.174) 3.067 4.370 ( -0.057 0.000 -2.291) 2.291 4.472 ( 10.628 0.000 -8.477) 13.595 4.506 ( 11.129 0.000 3.447) 11.651 4.507 ( -4.025 0.000 -0.936) 4.133 4.670 ( -2.160 0.000 0.044) 2.161 4.797 ( 7.352 0.000 -1.284) 7.463 4.823 ( 6.596 0.000 8.079) 10.429 4.965 ( 9.943 0.000 -0.946) 9.988 5.047 ( 4.900 0.000 -1.870) 5.245 5.176 ( 10.225 0.000 -1.963) 10.412 7.234 ( 4.628 0.000 3.997) 6.115 7.245 ( 7.756 0.000 -9.339) 12.139 7.486 ( 4.251 0.000 5.785) 7.179 7.504 ( 1.557 0.000 -4.134) 4.417 7.687 ( 5.704 0.000 2.171) 6.103 7.710 ( 5.698 0.000 2.404) 6.185 8.116 ( -0.397 0.000 -2.032) 2.070 8.246 ( 1.694 0.000 2.672) 3.164 8.271 ( 2.297 0.000 5.398) 5.866 8.523 ( 5.219 0.000 -0.673) 5.262 8.632 ( 2.530 0.000 2.106) 3.292 8.728 ( 7.362 0.000 -5.174) 8.999 8.928 ( 7.614 0.000 0.581) 7.636 8.977 ( 5.367 0.000 -2.635) 5.979 9.275 ( 3.527 0.000 -2.923) 4.581 9.298 ( 0.569 0.000 -0.189) 0.599 9.714 ( 3.798 0.000 -1.199) 3.983 9.728 ( 8.514 0.000 3.314) 9.136 9.939 ( 4.778 0.000 -0.225) 4.783 9.985 ( 5.565 0.000 2.480) 6.093 10.147 ( -0.203 0.000 -1.674) 1.687 10.237 ( -0.133 0.000 -0.222) 0.259 10.305 ( 0.485 0.000 0.856) 0.984 10.364 ( 3.645 0.000 -1.902) 4.111 10.463 ( 6.380 0.000 3.852) 7.452 10.618 ( 1.079 0.000 0.776) 1.329 10.647 ( 8.775 0.000 -3.512) 9.452 10.776 ( 1.906 0.000 -0.575) 1.991 10.894 ( 5.025 0.000 1.432) 5.225 11.003 ( 6.382 0.000 3.084) 7.088 11.464 ( 1.917 0.000 1.769) 2.608 11.501 ( 3.929 0.000 -0.150) 3.932 11.630 ( -6.098 0.000 -2.573) 6.619 11.692 ( -8.332 0.000 -2.287) 8.640 11.830 ( -16.393 0.000 -1.019) 16.425 11.925 ( -10.324 0.000 2.619) 10.651 12.866 ( 2.618 0.000 -2.539) 3.647 12.909 ( 1.545 0.000 1.662) 2.269 13.109 ( 2.230 0.000 -2.543) 3.382 13.206 ( -2.576 0.000 6.539) 7.028 13.255 ( 7.999 0.000 -3.661) 8.797 13.427 ( 5.530 0.000 -2.261) 5.974 13.606 ( 0.914 0.000 -2.876) 3.018 13.666 ( -2.383 0.000 4.830) 5.386 13.830 ( 13.302 0.000 4.501) 14.043 13.992 ( 15.337 0.000 -8.033) 17.314 14.263 ( 4.319 0.000 3.182) 5.364 14.337 ( 1.282 0.000 -2.518) 2.826 15.253 ( -0.127 0.000 -0.997) 1.005 15.268 ( 0.023 0.000 0.061) 0.065 15.450 ( -1.566 0.000 1.723) 2.328 15.512 ( -3.735 0.000 0.746) 3.809 17.434 ( 1.119 0.000 -0.526) 1.236 17.495 ( 1.957 0.000 0.399) 1.997 17.560 ( 0.668 0.000 -0.071) 0.672 17.565 ( 1.525 0.000 -0.095) 1.528 18.390 ( -0.388 0.000 1.509) 1.558 18.415 ( 0.466 0.000 -1.459) 1.532 18.448 ( -0.897 0.000 0.950) 1.307 18.460 ( 0.164 0.000 -1.049) 1.062 18.638 ( 0.394 0.000 -0.746) 0.843 18.657 ( -0.513 0.000 -1.022) 1.143 18.663 ( -0.097 0.000 0.966) 0.970 18.695 ( -1.502 0.000 0.929) 1.766 18.854 ( 0.750 0.000 0.017) 0.750 18.899 ( 0.755 0.000 -0.364) 0.838 19.065 ( 0.268 0.000 0.538) 0.601 19.135 ( 0.804 0.000 -0.086) 0.808 34.987 ( -1.007 0.000 1.110) 1.499 34.988 ( 0.006 0.000 -1.927) 1.927 34.997 ( -1.297 0.000 1.670) 2.114 35.012 ( 0.357 0.000 -0.969) 1.033 35.174 ( -0.940 0.000 0.033) 0.941 35.192 ( -0.599 0.000 0.485) 0.771 35.207 ( -0.184 0.000 -0.717) 0.740 35.219 ( -0.039 0.000 0.497) 0.498 51.354 ( -2.216 0.000 2.532) 3.365 51.424 ( -0.133 0.000 0.462) 0.480 51.558 ( -3.997 0.000 3.163) 5.097 51.700 ( -3.671 0.000 -0.309) 3.684 51.719 ( -6.602 0.000 0.599) 6.629 51.781 ( -6.093 0.000 -4.114) 7.352 51.874 ( -8.998 0.000 -3.405) 9.621 51.882 ( -8.639 0.000 1.105) 8.709 ======================= Grid point 81 (31/90) ======================= q-point: ( 0.43 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 8.953 0.000 1.302) 9.047 2.547 ( 9.037 0.000 -2.763) 9.450 2.655 ( 6.049 0.000 0.172) 6.052 2.726 ( 5.375 0.000 -4.310) 6.889 2.782 ( 5.730 0.000 1.146) 5.843 2.797 ( 6.505 0.000 0.636) 6.536 2.853 ( 6.143 0.000 3.318) 6.982 2.856 ( 1.368 0.000 -0.585) 1.488 2.876 ( 7.302 0.000 0.668) 7.332 2.884 ( 6.280 0.000 0.264) 6.285 2.961 ( -0.824 0.000 -0.037) 0.824 2.979 ( -0.213 0.000 0.450) 0.498 3.027 ( -2.570 0.000 1.912) 3.203 3.051 ( 5.249 0.000 1.963) 5.604 3.099 ( 3.139 0.000 0.800) 3.240 3.166 ( 4.445 0.000 -3.385) 5.587 3.240 ( -3.895 0.000 0.697) 3.957 3.243 ( 0.288 0.000 0.282) 0.403 3.260 ( 1.556 0.000 -0.738) 1.723 3.305 ( 1.725 0.000 0.910) 1.951 3.336 ( 0.945 0.000 -0.138) 0.955 3.378 ( 0.054 0.000 -2.449) 2.450 3.457 ( -3.722 0.000 -2.296) 4.373 3.459 ( -4.120 0.000 2.693) 4.922 3.505 ( 1.281 0.000 1.179) 1.741 3.577 ( 1.412 0.000 -1.070) 1.772 3.616 ( 0.308 0.000 3.771) 3.783 3.680 ( 2.045 0.000 -1.375) 2.464 3.682 ( -3.424 0.000 2.023) 3.977 3.718 ( -2.017 0.000 -1.940) 2.799 3.804 ( 2.340 0.000 -3.452) 4.170 3.810 ( 4.875 0.000 -2.136) 5.323 3.887 ( -4.154 0.000 1.281) 4.347 3.973 ( 0.287 0.000 2.291) 2.309 3.984 ( 0.073 0.000 2.027) 2.029 4.159 ( -9.498 0.000 -2.556) 9.836 4.225 ( -1.428 0.000 2.535) 2.909 4.352 ( 0.601 0.000 -3.311) 3.365 4.355 ( 3.897 0.000 -0.416) 3.920 4.438 ( 0.175 0.000 1.419) 1.430 4.620 ( -0.176 0.000 -0.609) 0.634 4.677 ( 5.560 0.000 -2.517) 6.103 4.759 ( 9.892 0.000 -1.328) 9.980 4.906 ( 2.451 0.000 5.013) 5.580 5.003 ( 8.084 0.000 5.107) 9.562 5.117 ( 2.412 0.000 -1.410) 2.794 5.128 ( 6.671 0.000 -2.341) 7.070 5.325 ( 5.344 0.000 -2.967) 6.113 7.340 ( 4.403 0.000 2.104) 4.880 7.368 ( 7.374 0.000 -9.854) 12.308 7.479 ( -2.389 0.000 -1.421) 2.779 7.567 ( 2.210 0.000 2.816) 3.579 7.785 ( 3.327 0.000 2.067) 3.917 7.787 ( 0.972 0.000 4.032) 4.147 8.147 ( 4.336 0.000 -1.838) 4.709 8.253 ( -1.340 0.000 2.919) 3.212 8.353 ( 4.448 0.000 4.531) 6.350 8.587 ( 0.740 0.000 2.834) 2.929 8.688 ( 2.774 0.000 -1.019) 2.956 8.784 ( -0.295 0.000 -3.096) 3.110 9.066 ( 5.190 0.000 1.558) 5.419 9.079 ( 5.416 0.000 -3.059) 6.220 9.266 ( -3.364 0.000 2.153) 3.994 9.316 ( 1.523 0.000 -1.786) 2.347 9.817 ( -0.207 0.000 4.382) 4.387 9.820 ( 7.883 0.000 -5.605) 9.673 10.041 ( 4.518 0.000 -3.701) 5.840 10.073 ( 2.332 0.000 0.281) 2.348 10.150 ( 1.681 0.000 2.204) 2.772 10.191 ( -2.952 0.000 -0.821) 3.064 10.336 ( 1.621 0.000 2.656) 3.112 10.373 ( -1.533 0.000 -1.059) 1.863 10.558 ( 0.823 0.000 7.730) 7.773 10.655 ( 3.248 0.000 -1.511) 3.582 10.762 ( 5.750 0.000 -3.057) 6.512 10.845 ( 3.605 0.000 -3.377) 4.939 11.022 ( 6.222 0.000 3.733) 7.256 11.124 ( 4.649 0.000 2.033) 5.074 11.420 ( -11.744 0.000 -1.120) 11.798 11.480 ( -6.178 0.000 -3.070) 6.899 11.517 ( -0.877 0.000 1.255) 1.531 11.539 ( -1.863 0.000 2.774) 3.342 11.605 ( -5.530 0.000 -1.476) 5.724 11.786 ( -4.942 0.000 -1.396) 5.136 12.909 ( 2.428 0.000 -1.404) 2.805 12.916 ( -0.695 0.000 1.437) 1.596 13.107 ( 0.089 0.000 -1.904) 1.906 13.139 ( -4.094 0.000 3.097) 5.134 13.402 ( 6.073 0.000 -2.621) 6.615 13.507 ( 2.171 0.000 -2.626) 3.407 13.628 ( 2.016 0.000 -0.935) 2.222 13.639 ( -1.673 0.000 3.429) 3.815 14.066 ( 8.798 0.000 2.421) 9.125 14.220 ( 9.139 0.000 -3.912) 9.941 14.315 ( 0.017 0.000 2.010) 2.010 14.339 ( -0.252 0.000 -2.516) 2.529 15.287 ( 2.755 0.000 0.190) 2.761 15.306 ( 3.263 0.000 -0.578) 3.313 15.433 ( -0.951 0.000 1.151) 1.493 15.471 ( -1.103 0.000 0.236) 1.128 17.454 ( 0.944 0.000 0.282) 0.986 17.525 ( 0.888 0.000 -0.236) 0.919 17.567 ( 0.271 0.000 -0.004) 0.271 17.588 ( 0.811 0.000 -0.242) 0.847 18.388 ( -0.287 0.000 1.516) 1.543 18.423 ( 0.755 0.000 -1.118) 1.349 18.434 ( -0.721 0.000 0.610) 0.945 18.460 ( 0.081 0.000 -1.039) 1.042 18.639 ( -0.110 0.000 -0.279) 0.300 18.652 ( -0.935 0.000 0.282) 0.977 18.654 ( 0.528 0.000 -0.544) 0.758 18.679 ( -0.606 0.000 0.850) 1.044 18.867 ( 0.505 0.000 0.116) 0.518 18.908 ( 0.383 0.000 -1.150) 1.212 19.075 ( 0.355 0.000 1.495) 1.536 19.145 ( 0.347 0.000 -0.451) 0.569 34.966 ( -1.339 0.000 1.009) 1.677 34.979 ( -0.915 0.000 1.367) 1.645 34.986 ( 0.344 0.000 -1.749) 1.782 35.015 ( 0.230 0.000 -0.933) 0.961 35.163 ( -0.281 0.000 0.361) 0.457 35.186 ( -0.172 0.000 0.714) 0.734 35.203 ( -0.058 0.000 -0.844) 0.846 35.219 ( -0.009 0.000 0.130) 0.130 51.346 ( 0.555 0.000 2.885) 2.938 51.427 ( 0.526 0.000 -0.527) 0.744 51.498 ( -3.664 0.000 3.986) 5.414 51.585 ( -6.029 0.000 0.690) 6.068 51.636 ( -2.251 0.000 -2.341) 3.248 51.681 ( -3.077 0.000 -3.380) 4.571 51.735 ( -4.452 0.000 -0.618) 4.495 51.771 ( -3.167 0.000 -0.796) 3.265 ======================= Grid point 83 (32/90) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -0.698 0.000 0.331) 0.773 2.650 ( 0.937 0.000 -0.909) 1.305 2.733 ( 3.904 0.000 -1.769) 4.286 2.765 ( -2.975 0.000 -3.157) 4.338 2.815 ( -7.313 0.000 -0.440) 7.326 2.820 ( 2.115 0.000 -1.401) 2.537 2.886 ( -0.573 0.000 0.205) 0.609 2.898 ( 4.743 0.000 1.759) 5.058 2.943 ( -3.203 0.000 1.625) 3.592 2.967 ( 0.405 0.000 0.953) 1.036 2.985 ( 1.397 0.000 4.332) 4.552 3.005 ( -0.292 0.000 1.175) 1.210 3.030 ( 2.207 0.000 1.093) 2.463 3.116 ( -4.032 0.000 1.988) 4.496 3.136 ( 1.646 0.000 0.693) 1.786 3.137 ( -2.635 0.000 -2.957) 3.960 3.196 ( 3.050 0.000 -1.589) 3.439 3.244 ( -0.621 0.000 0.273) 0.678 3.262 ( -0.645 0.000 -1.349) 1.495 3.344 ( 2.562 0.000 0.648) 2.643 3.350 ( -0.214 0.000 0.797) 0.825 3.362 ( -3.664 0.000 -3.168) 4.844 3.390 ( -1.163 0.000 2.214) 2.500 3.423 ( 4.029 0.000 -0.746) 4.097 3.554 ( -0.555 0.000 0.875) 1.036 3.597 ( 0.573 0.000 -1.249) 1.375 3.608 ( 0.969 0.000 2.450) 2.634 3.662 ( -0.956 0.000 -2.667) 2.833 3.680 ( 2.647 0.000 -0.402) 2.678 3.704 ( -7.182 0.000 6.200) 9.488 3.755 ( 3.932 0.000 -3.727) 5.418 3.865 ( -1.123 0.000 -0.142) 1.132 3.906 ( 2.489 0.000 0.026) 2.489 3.972 ( -3.246 0.000 0.944) 3.381 4.027 ( 1.827 0.000 -3.404) 3.864 4.039 ( 4.690 0.000 -2.209) 5.184 4.194 ( -2.882 0.000 5.146) 5.898 4.350 ( -0.169 0.000 -3.165) 3.170 4.414 ( 1.976 0.000 0.844) 2.148 4.439 ( -0.453 0.000 0.912) 1.018 4.607 ( -1.044 0.000 -0.268) 1.078 4.720 ( 0.161 0.000 -5.133) 5.135 4.884 ( -6.065 0.000 3.035) 6.782 4.889 ( 2.967 0.000 2.322) 3.767 5.127 ( -0.908 0.000 3.403) 3.522 5.137 ( 2.912 0.000 2.159) 3.625 5.199 ( 1.011 0.000 -2.837) 3.012 5.359 ( -0.832 0.000 -4.247) 4.328 7.316 ( -6.045 0.000 -1.968) 6.357 7.444 ( 1.728 0.000 -6.984) 7.194 7.513 ( 5.230 0.000 2.877) 5.969 7.592 ( 1.149 0.000 -2.385) 2.647 7.787 ( -1.860 0.000 3.347) 3.829 7.817 ( -1.186 0.000 3.343) 3.547 8.229 ( -1.480 0.000 1.345) 2.000 8.242 ( 4.432 0.000 1.201) 4.592 8.468 ( 5.564 0.000 4.060) 6.888 8.570 ( -3.817 0.000 6.428) 7.476 8.715 ( -3.916 0.000 -5.117) 6.444 8.727 ( 0.916 0.000 -2.403) 2.572 9.094 ( -2.776 0.000 -0.894) 2.917 9.141 ( 1.090 0.000 -2.816) 3.019 9.239 ( -0.031 0.000 6.474) 6.474 9.336 ( 1.296 0.000 -1.157) 1.737 9.784 ( -3.464 0.000 2.373) 4.199 9.950 ( 6.041 0.000 -8.411) 10.355 10.051 ( -3.019 0.000 -2.331) 3.814 10.068 ( 0.747 0.000 -2.934) 3.028 10.190 ( 2.433 0.000 2.431) 3.439 10.198 ( -0.208 0.000 1.788) 1.800 10.343 ( -2.802 0.000 2.659) 3.863 10.356 ( 1.420 0.000 1.040) 1.760 10.550 ( -3.158 0.000 7.622) 8.250 10.734 ( 3.968 0.000 1.810) 4.361 10.830 ( -1.758 0.000 -2.681) 3.206 10.853 ( -0.324 0.000 -6.411) 6.419 11.110 ( 0.995 0.000 4.075) 4.195 11.159 ( -1.620 0.000 0.521) 1.702 11.279 ( 1.398 0.000 0.981) 1.708 11.402 ( -0.366 0.000 -3.963) 3.980 11.514 ( -0.545 0.000 0.918) 1.068 11.514 ( -0.653 0.000 4.006) 4.059 11.573 ( 2.253 0.000 -0.792) 2.388 11.718 ( -0.977 0.000 -3.995) 4.113 12.903 ( -0.840 0.000 0.888) 1.222 12.951 ( 2.131 0.000 -1.230) 2.461 13.073 ( -3.131 0.000 1.910) 3.668 13.121 ( 1.602 0.000 -0.355) 1.641 13.474 ( 2.067 0.000 -2.558) 3.289 13.510 ( -0.558 0.000 -3.144) 3.194 13.615 ( -2.020 0.000 2.875) 3.513 13.659 ( 1.209 0.000 -0.140) 1.217 14.180 ( 0.811 0.000 3.056) 3.162 14.282 ( -2.081 0.000 -1.770) 2.732 14.285 ( -2.180 0.000 0.039) 2.180 14.358 ( 3.364 0.000 -2.943) 4.470 15.324 ( 0.106 0.000 0.761) 0.768 15.359 ( 1.124 0.000 -1.012) 1.512 15.411 ( -1.188 0.000 1.563) 1.963 15.454 ( -0.671 0.000 -0.529) 0.855 17.472 ( 0.621 0.000 1.043) 1.213 17.523 ( -0.748 0.000 -1.221) 1.432 17.575 ( 0.301 0.000 0.461) 0.551 17.594 ( -0.126 0.000 -0.437) 0.454 18.386 ( -0.415 0.000 1.368) 1.430 18.425 ( -0.346 0.000 0.378) 0.512 18.436 ( 0.793 0.000 -0.571) 0.978 18.457 ( 0.031 0.000 -1.187) 1.188 18.639 ( -0.365 0.000 -0.012) 0.365 18.640 ( 0.334 0.000 -0.056) 0.339 18.667 ( 0.779 0.000 0.217) 0.808 18.668 ( -0.775 0.000 0.201) 0.801 18.874 ( 0.110 0.000 0.222) 0.248 18.907 ( -0.106 0.000 -1.455) 1.459 19.086 ( 0.186 0.000 1.989) 1.998 19.145 ( -0.222 0.000 -0.765) 0.796 34.946 ( -0.800 0.000 0.602) 1.001 34.970 ( -0.408 0.000 1.186) 1.255 34.992 ( 0.838 0.000 -1.348) 1.587 35.017 ( 0.206 0.000 -0.807) 0.833 35.163 ( 0.127 0.000 0.620) 0.633 35.188 ( 0.139 0.000 0.948) 0.958 35.199 ( -0.079 0.000 -0.998) 1.001 35.218 ( -0.096 0.000 -0.191) 0.214 51.372 ( -0.560 0.000 2.358) 2.424 51.435 ( -1.530 0.000 3.981) 4.265 51.437 ( 0.173 0.000 -0.487) 0.517 51.538 ( 0.711 0.000 1.168) 1.368 51.615 ( 1.528 0.000 -3.064) 3.423 51.638 ( 0.048 0.000 -3.283) 3.283 51.692 ( -0.273 0.000 0.450) 0.527 51.736 ( -0.231 0.000 -1.221) 1.242 ======================= Grid point 84 (33/90) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -10.522 0.000 -0.264) 10.526 2.609 ( -11.090 0.000 -1.829) 11.239 2.611 ( -4.676 0.000 0.301) 4.686 2.708 ( -2.930 0.000 -2.762) 4.027 2.761 ( -3.091 0.000 -0.163) 3.095 2.788 ( -8.201 0.000 1.734) 8.383 2.812 ( -4.487 0.000 -0.129) 4.489 2.823 ( -10.720 0.000 0.292) 10.724 2.873 ( -2.008 0.000 2.879) 3.510 2.959 ( -5.087 0.000 1.621) 5.339 2.979 ( -8.001 0.000 -1.600) 8.160 2.984 ( 0.104 0.000 -0.165) 0.195 3.032 ( -1.563 0.000 1.861) 2.430 3.040 ( 4.695 0.000 1.501) 4.929 3.123 ( -4.080 0.000 1.703) 4.421 3.166 ( 3.459 0.000 0.586) 3.508 3.212 ( -1.986 0.000 -2.820) 3.450 3.248 ( -1.063 0.000 -1.554) 1.883 3.258 ( 1.783 0.000 0.124) 1.788 3.284 ( -3.549 0.000 -0.824) 3.644 3.322 ( 0.120 0.000 1.053) 1.059 3.405 ( 0.625 0.000 -3.278) 3.337 3.436 ( 2.247 0.000 0.946) 2.438 3.473 ( 1.034 0.000 0.867) 1.350 3.538 ( 1.274 0.000 1.481) 1.953 3.588 ( -4.358 0.000 4.034) 5.939 3.592 ( -0.633 0.000 -1.295) 1.441 3.640 ( -0.946 0.000 -1.209) 1.535 3.684 ( 3.651 0.000 0.761) 3.730 3.761 ( -4.771 0.000 0.714) 4.825 3.789 ( 7.389 0.000 -2.131) 7.690 3.826 ( 2.873 0.000 -5.638) 6.328 3.922 ( -3.169 0.000 1.674) 3.584 3.928 ( -0.819 0.000 2.762) 2.881 4.125 ( 2.089 0.000 2.131) 2.984 4.147 ( 8.690 0.000 -3.798) 9.483 4.164 ( 0.822 0.000 3.929) 4.014 4.330 ( -0.134 0.000 -3.682) 3.684 4.426 ( -0.915 0.000 -1.217) 1.522 4.441 ( 0.424 0.000 2.586) 2.620 4.573 ( -2.167 0.000 -0.382) 2.201 4.629 ( -10.960 0.000 -1.294) 11.036 4.720 ( -7.651 0.000 -2.821) 8.155 4.895 ( -3.218 0.000 5.235) 6.146 5.071 ( -5.134 0.000 2.941) 5.917 5.141 ( -6.379 0.000 -2.324) 6.789 5.149 ( -3.058 0.000 2.925) 4.232 5.273 ( -5.949 0.000 -5.723) 8.254 7.180 ( -6.458 0.000 -1.356) 6.599 7.383 ( -4.956 0.000 -3.849) 6.275 7.606 ( 0.471 0.000 -5.144) 5.165 7.619 ( 3.995 0.000 -0.288) 4.005 7.739 ( -3.732 0.000 3.967) 5.447 7.759 ( -6.007 0.000 6.608) 8.930 8.204 ( -1.101 0.000 -1.758) 2.074 8.302 ( 0.668 0.000 2.405) 2.496 8.481 ( -7.032 0.000 9.330) 11.683 8.578 ( 3.575 0.000 4.476) 5.728 8.600 ( -5.282 0.000 -4.336) 6.834 8.735 ( 0.889 0.000 -7.338) 7.392 9.005 ( -5.680 0.000 0.948) 5.758 9.100 ( -4.112 0.000 -1.730) 4.461 9.256 ( -0.331 0.000 3.155) 3.172 9.355 ( 0.604 0.000 -1.897) 1.991 9.720 ( -3.101 0.000 0.899) 3.229 9.959 ( -3.171 0.000 -2.140) 3.826 10.012 ( 0.253 0.000 -5.517) 5.523 10.059 ( -2.229 0.000 -1.104) 2.488 10.175 ( -0.181 0.000 2.413) 2.420 10.192 ( -7.352 0.000 1.305) 7.467 10.288 ( 0.207 0.000 3.473) 3.479 10.404 ( 0.972 0.000 -0.423) 1.060 10.507 ( -2.983 0.000 5.416) 6.183 10.682 ( -6.668 0.000 -3.845) 7.697 10.782 ( -0.498 0.000 3.292) 3.329 10.837 ( -1.768 0.000 -5.632) 5.903 11.066 ( -5.801 0.000 5.438) 7.952 11.088 ( -5.946 0.000 0.035) 5.946 11.440 ( 5.862 0.000 -2.499) 6.372 11.443 ( 8.277 0.000 -0.732) 8.310 11.524 ( 4.897 0.000 1.841) 5.231 11.538 ( 2.422 0.000 0.832) 2.561 11.691 ( 8.853 0.000 2.317) 9.151 11.717 ( 1.953 0.000 -4.762) 5.146 12.888 ( -0.951 0.000 -0.120) 0.958 12.977 ( 0.692 0.000 -0.005) 0.692 13.035 ( -1.155 0.000 0.100) 1.160 13.163 ( 2.328 0.000 1.069) 2.562 13.470 ( -2.321 0.000 -4.187) 4.787 13.476 ( -0.651 0.000 -2.662) 2.741 13.564 ( -4.599 0.000 3.457) 5.754 13.680 ( 0.999 0.000 0.789) 1.273 14.068 ( -11.691 0.000 2.923) 12.051 14.201 ( -5.039 0.000 -4.218) 6.571 14.272 ( -0.925 0.000 0.113) 0.932 14.389 ( 0.285 0.000 -0.789) 0.839 15.291 ( -2.799 0.000 0.313) 2.817 15.312 ( -4.153 0.000 -1.061) 4.286 15.424 ( 1.014 0.000 1.968) 2.214 15.448 ( 0.478 0.000 -0.224) 0.527 17.483 ( 0.080 0.000 1.503) 1.505 17.496 ( -1.528 0.000 -1.465) 2.117 17.575 ( -0.453 0.000 0.309) 0.549 17.582 ( -0.943 0.000 -0.546) 1.090 18.381 ( -0.476 0.000 0.959) 1.070 18.422 ( -0.043 0.000 0.311) 0.314 18.447 ( 0.256 0.000 -0.035) 0.258 18.457 ( 0.505 0.000 -1.266) 1.362 18.640 ( 0.480 0.000 -0.417) 0.635 18.650 ( -0.954 0.000 -0.259) 0.988 18.652 ( 0.776 0.000 0.339) 0.847 18.684 ( 0.817 0.000 0.651) 1.045 18.873 ( -0.239 0.000 0.403) 0.469 18.895 ( -0.628 0.000 -1.341) 1.481 19.094 ( -0.043 0.000 1.984) 1.985 19.132 ( -0.785 0.000 -1.041) 1.304 34.940 ( -0.018 0.000 0.129) 0.130 34.970 ( 0.063 0.000 0.889) 0.891 35.009 ( 1.088 0.000 -0.918) 1.424 35.019 ( 0.299 0.000 -0.400) 0.499 35.170 ( 0.347 0.000 0.695) 0.777 35.194 ( -0.063 0.000 -1.019) 1.020 35.196 ( 0.370 0.000 1.056) 1.119 35.216 ( -0.025 0.000 -0.378) 0.378 51.343 ( -1.126 0.000 2.902) 3.112 51.425 ( -0.801 0.000 -0.632) 1.020 51.478 ( 2.892 0.000 3.394) 4.459 51.600 ( 4.661 0.000 0.800) 4.729 51.637 ( 1.411 0.000 -2.293) 2.693 51.701 ( 5.269 0.000 -2.861) 5.996 51.734 ( 6.181 0.000 -0.166) 6.184 51.753 ( 2.556 0.000 -1.244) 2.843 ======================= Grid point 85 (34/90) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -15.148 0.000 -0.657) 15.163 2.345 ( -14.834 0.000 -0.588) 14.846 2.511 ( -13.809 0.000 1.325) 13.872 2.517 ( -5.868 0.000 -0.554) 5.895 2.556 ( -13.593 0.000 0.876) 13.621 2.651 ( -8.668 0.000 2.550) 9.035 2.671 ( -6.474 0.000 -1.232) 6.590 2.725 ( -5.466 0.000 -0.543) 5.493 2.795 ( -9.272 0.000 -3.017) 9.751 2.817 ( -5.540 0.000 2.159) 5.946 2.869 ( -3.627 0.000 3.658) 5.151 2.927 ( -6.748 0.000 -0.182) 6.750 3.015 ( -1.664 0.000 -0.023) 1.664 3.036 ( -2.412 0.000 0.042) 2.412 3.108 ( -2.417 0.000 0.913) 2.584 3.124 ( -3.894 0.000 1.831) 4.303 3.160 ( -3.959 0.000 -3.538) 5.310 3.185 ( -4.510 0.000 -0.449) 4.533 3.257 ( 1.279 0.000 -1.946) 2.329 3.283 ( -0.426 0.000 2.385) 2.423 3.337 ( -0.127 0.000 -1.273) 1.279 3.356 ( -2.561 0.000 -3.697) 4.497 3.440 ( -2.797 0.000 3.155) 4.216 3.480 ( -1.231 0.000 0.828) 1.484 3.508 ( -3.888 0.000 4.151) 5.688 3.570 ( -0.944 0.000 -0.712) 1.182 3.581 ( 0.444 0.000 -1.394) 1.463 3.630 ( 0.172 0.000 -1.724) 1.733 3.681 ( -2.994 0.000 -1.667) 3.427 3.733 ( -0.868 0.000 -2.584) 2.726 3.833 ( -3.468 0.000 -0.506) 3.505 3.879 ( 0.710 0.000 -1.045) 1.263 3.898 ( 0.647 0.000 3.705) 3.761 3.932 ( 4.164 0.000 -1.990) 4.615 4.086 ( -8.869 0.000 9.603) 13.072 4.223 ( -1.127 0.000 -1.189) 1.638 4.279 ( 6.248 0.000 1.347) 6.391 4.328 ( -12.275 0.000 0.669) 12.293 4.361 ( 0.353 0.000 -2.987) 3.008 4.410 ( 2.836 0.000 -7.726) 8.230 4.454 ( 0.293 0.000 3.287) 3.301 4.553 ( 2.317 0.000 -1.262) 2.639 4.596 ( -4.896 0.000 -2.890) 5.686 4.819 ( -5.558 0.000 7.022) 8.956 4.936 ( -12.828 0.000 -2.597) 13.089 4.954 ( -7.254 0.000 3.069) 7.877 5.046 ( -7.530 0.000 1.196) 7.625 5.109 ( -8.643 0.000 -5.551) 10.272 7.069 ( -4.286 0.000 -1.039) 4.410 7.272 ( -4.728 0.000 -2.481) 5.340 7.550 ( -5.525 0.000 -3.288) 6.430 7.601 ( -5.330 0.000 -1.241) 5.473 7.642 ( -6.963 0.000 7.178) 10.000 7.711 ( -0.773 0.000 1.901) 2.052 8.171 ( -1.846 0.000 -2.096) 2.793 8.266 ( -5.094 0.000 3.176) 6.003 8.370 ( -6.893 0.000 9.207) 11.501 8.492 ( -4.214 0.000 -5.407) 6.855 8.629 ( 0.252 0.000 4.128) 4.135 8.713 ( -0.771 0.000 -9.643) 9.674 8.881 ( -7.182 0.000 2.746) 7.689 8.993 ( -5.520 0.000 -2.295) 5.978 9.240 ( -1.901 0.000 -0.123) 1.904 9.333 ( -2.448 0.000 -1.823) 3.053 9.675 ( -1.942 0.000 1.767) 2.625 9.853 ( -7.376 0.000 -3.498) 8.163 9.956 ( -6.921 0.000 3.590) 7.797 9.967 ( -6.303 0.000 1.285) 6.433 10.039 ( -4.646 0.000 -1.963) 5.043 10.226 ( 3.292 0.000 2.695) 4.255 10.290 ( -1.425 0.000 0.531) 1.521 10.323 ( -7.802 0.000 -3.172) 8.423 10.459 ( -3.906 0.000 4.477) 5.941 10.599 ( -3.949 0.000 -4.272) 5.817 10.745 ( -3.475 0.000 2.322) 4.180 10.760 ( -2.207 0.000 -2.642) 3.442 10.939 ( -8.430 0.000 -0.439) 8.441 10.983 ( -3.374 0.000 4.960) 5.999 11.426 ( -4.892 0.000 0.332) 4.904 11.488 ( -0.910 0.000 0.438) 1.010 11.666 ( 7.700 0.000 -0.678) 7.730 11.735 ( 3.456 0.000 -4.148) 5.399 11.818 ( 15.511 0.000 0.085) 15.512 11.936 ( 15.662 0.000 2.316) 15.833 12.854 ( -2.830 0.000 -1.102) 3.037 12.979 ( -0.949 0.000 -1.218) 1.544 13.015 ( -0.882 0.000 0.789) 1.183 13.178 ( -3.560 0.000 1.144) 3.740 13.423 ( 1.238 0.000 -3.761) 3.960 13.446 ( -1.278 0.000 -4.532) 4.709 13.454 ( -7.134 0.000 5.820) 9.207 13.669 ( -9.240 0.000 1.857) 9.425 13.812 ( -7.785 0.000 2.112) 8.066 14.056 ( -7.911 0.000 -5.658) 9.726 14.216 ( -4.901 0.000 1.765) 5.209 14.370 ( -1.791 0.000 -0.989) 2.046 15.226 ( -3.734 0.000 -0.927) 3.847 15.259 ( 0.462 0.000 -0.018) 0.462 15.461 ( 2.474 0.000 2.790) 3.729 15.482 ( 3.374 0.000 -0.280) 3.385 17.457 ( -1.851 0.000 -1.394) 2.317 17.481 ( -0.808 0.000 1.309) 1.538 17.557 ( -1.266 0.000 -0.289) 1.299 17.558 ( -1.317 0.000 0.080) 1.319 18.376 ( -0.240 0.000 0.586) 0.633 18.423 ( 0.020 0.000 0.187) 0.188 18.447 ( 0.011 0.000 -0.562) 0.562 18.469 ( 0.848 0.000 -0.264) 0.888 18.630 ( -0.991 0.000 -0.379) 1.061 18.654 ( 1.171 0.000 -0.920) 1.489 18.670 ( 0.880 0.000 0.622) 1.078 18.702 ( 0.714 0.000 0.817) 1.085 18.868 ( -0.350 0.000 0.720) 0.801 18.875 ( -0.996 0.000 -1.034) 1.435 19.097 ( -0.177 0.000 1.631) 1.640 19.109 ( -1.202 0.000 -1.223) 1.715 34.944 ( 0.441 0.000 -0.250) 0.507 34.975 ( 0.223 0.000 0.493) 0.541 35.018 ( 0.175 0.000 -0.337) 0.380 35.034 ( 1.098 0.000 0.019) 1.098 35.181 ( 0.520 0.000 0.552) 0.758 35.192 ( 0.175 0.000 -0.825) 0.844 35.210 ( 0.683 0.000 0.936) 1.159 35.217 ( 0.304 0.000 -0.405) 0.506 51.365 ( 2.354 0.000 3.287) 4.043 51.414 ( -0.069 0.000 -0.251) 0.260 51.559 ( 4.310 0.000 4.421) 6.175 51.663 ( 1.854 0.000 -1.730) 2.536 51.693 ( 4.318 0.000 -1.424) 4.547 51.797 ( 6.175 0.000 -2.505) 6.664 51.841 ( 6.749 0.000 -0.627) 6.778 51.935 ( 13.193 0.000 -1.138) 13.242 ======================= Grid point 86 (35/90) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -18.914 0.000 -0.268) 18.916 2.009 ( -19.264 0.000 -0.253) 19.266 2.238 ( -14.302 0.000 1.709) 14.404 2.284 ( -13.167 0.000 -0.476) 13.176 2.405 ( -6.481 0.000 -0.204) 6.484 2.476 ( -9.724 0.000 5.356) 11.101 2.490 ( -11.163 0.000 -0.841) 11.195 2.541 ( -11.003 0.000 -1.552) 11.112 2.650 ( -5.984 0.000 -3.322) 6.845 2.674 ( -9.474 0.000 2.845) 9.892 2.764 ( -9.302 0.000 -0.481) 9.314 2.827 ( -3.683 0.000 4.468) 5.790 2.915 ( -5.541 0.000 -2.998) 6.300 2.920 ( -10.748 0.000 0.628) 10.767 3.015 ( -3.326 0.000 2.416) 4.111 3.048 ( -5.736 0.000 -6.783) 8.883 3.096 ( -3.879 0.000 -1.642) 4.212 3.111 ( -3.250 0.000 1.506) 3.582 3.223 ( -3.452 0.000 -2.892) 4.503 3.238 ( -4.903 0.000 3.011) 5.754 3.288 ( -4.632 0.000 0.277) 4.640 3.310 ( -2.448 0.000 -0.913) 2.613 3.372 ( -4.281 0.000 0.897) 4.374 3.404 ( -6.269 0.000 2.912) 6.913 3.458 ( -5.331 0.000 -0.231) 5.336 3.509 ( -11.880 0.000 -1.127) 11.934 3.551 ( -4.671 0.000 -1.052) 4.788 3.556 ( -2.654 0.000 1.056) 2.857 3.616 ( -8.799 0.000 -2.790) 9.231 3.638 ( -4.183 0.000 -0.319) 4.195 3.685 ( -15.118 0.000 6.100) 16.302 3.774 ( -0.532 0.000 -2.573) 2.627 3.896 ( 1.230 0.000 -0.521) 1.336 3.967 ( -0.402 0.000 4.587) 4.605 4.007 ( 0.619 0.000 -0.727) 0.955 4.158 ( -4.683 0.000 0.757) 4.744 4.230 ( -0.503 0.000 -0.353) 0.614 4.279 ( -6.208 0.000 -2.638) 6.745 4.421 ( 4.421 0.000 0.138) 4.423 4.425 ( -0.873 0.000 -8.933) 8.976 4.514 ( 4.001 0.000 4.773) 6.228 4.522 ( -1.335 0.000 5.371) 5.534 4.539 ( -9.252 0.000 -5.454) 10.740 4.723 ( -4.009 0.000 2.191) 4.568 4.826 ( 7.153 0.000 1.841) 7.386 4.835 ( -4.636 0.000 1.171) 4.781 4.895 ( -6.385 0.000 -0.261) 6.391 4.918 ( -8.370 0.000 -3.956) 9.257 7.009 ( -1.623 0.000 -0.810) 1.814 7.190 ( -3.161 0.000 -1.606) 3.546 7.376 ( -10.748 0.000 2.104) 10.952 7.464 ( -7.855 0.000 -0.641) 7.881 7.557 ( -3.634 0.000 2.929) 4.667 7.650 ( -5.974 0.000 -0.230) 5.979 8.110 ( -4.234 0.000 -0.083) 4.235 8.162 ( -5.726 0.000 2.604) 6.291 8.249 ( -7.968 0.000 5.414) 9.633 8.394 ( -4.021 0.000 -6.433) 7.586 8.624 ( -1.578 0.000 3.999) 4.299 8.636 ( -4.093 0.000 -9.415) 10.266 8.762 ( -5.698 0.000 4.219) 7.090 8.891 ( -3.505 0.000 -3.733) 5.120 9.168 ( -5.678 0.000 -0.671) 5.717 9.250 ( -5.191 0.000 -1.622) 5.438 9.641 ( -11.897 0.000 -6.238) 13.433 9.646 ( -2.593 0.000 5.960) 6.499 9.819 ( -8.342 0.000 8.394) 11.834 9.833 ( -7.768 0.000 1.305) 7.877 9.968 ( -2.397 0.000 -6.396) 6.831 10.120 ( -10.746 0.000 -2.400) 11.011 10.243 ( -3.143 0.000 -0.246) 3.153 10.301 ( 2.683 0.000 1.051) 2.882 10.363 ( -7.400 0.000 3.473) 8.174 10.439 ( -9.222 0.000 -2.155) 9.471 10.681 ( -3.519 0.000 3.059) 4.663 10.736 ( -2.375 0.000 -1.563) 2.844 10.774 ( -8.108 0.000 0.227) 8.111 10.988 ( 3.222 0.000 1.903) 3.742 11.285 ( -9.531 0.000 0.529) 9.546 11.436 ( -4.778 0.000 2.306) 5.305 11.706 ( -5.833 0.000 -3.113) 6.611 11.767 ( 2.934 0.000 -2.444) 3.818 12.141 ( 15.147 0.000 2.442) 15.343 12.234 ( 9.861 0.000 -1.125) 9.925 12.735 ( -9.887 0.000 -0.083) 9.887 12.907 ( -4.837 0.000 -5.440) 7.279 13.010 ( -0.208 0.000 1.479) 1.494 13.027 ( -8.822 0.000 1.494) 8.947 13.314 ( -17.972 0.000 3.298) 18.272 13.346 ( -4.800 0.000 5.584) 7.363 13.422 ( 0.481 0.000 -5.610) 5.630 13.530 ( 8.962 0.000 -3.443) 9.600 13.854 ( 5.248 0.000 1.001) 5.342 13.894 ( -5.346 0.000 -4.588) 7.045 14.113 ( -5.736 0.000 4.913) 7.552 14.316 ( -2.933 0.000 -3.635) 4.671 15.174 ( -1.470 0.000 1.029) 1.795 15.329 ( 6.662 0.000 -0.024) 6.662 15.547 ( 5.238 0.000 4.006) 6.594 15.585 ( 7.384 0.000 -1.604) 7.556 17.417 ( -1.850 0.000 -1.116) 2.161 17.458 ( -1.699 0.000 0.405) 1.747 17.526 ( -1.879 0.000 0.025) 1.880 17.533 ( -1.250 0.000 0.321) 1.291 18.376 ( 0.121 0.000 0.391) 0.410 18.424 ( 0.062 0.000 -0.011) 0.063 18.448 ( 0.310 0.000 -0.566) 0.645 18.486 ( 0.849 0.000 0.175) 0.867 18.609 ( -0.990 0.000 -0.332) 1.045 18.678 ( 1.505 0.000 -1.436) 2.080 18.685 ( 0.400 0.000 0.260) 0.477 18.718 ( 0.676 0.000 1.232) 1.405 18.852 ( -1.092 0.000 -0.720) 1.308 18.864 ( -0.343 0.000 1.047) 1.102 19.079 ( -1.352 0.000 -1.171) 1.789 19.097 ( -0.271 0.000 1.091) 1.124 34.952 ( 0.362 0.000 -0.383) 0.527 34.981 ( 0.223 0.000 0.039) 0.226 35.020 ( 0.007 0.000 0.346) 0.346 35.053 ( 0.657 0.000 0.268) 0.710 35.193 ( 0.613 0.000 0.372) 0.717 35.197 ( 0.628 0.000 -0.472) 0.785 35.226 ( 0.711 0.000 -0.370) 0.801 35.229 ( 0.992 0.000 0.569) 1.144 51.423 ( 0.787 0.000 0.980) 1.257 51.447 ( 4.599 0.000 2.690) 5.328 51.678 ( 6.002 0.000 6.591) 8.914 51.699 ( 2.244 0.000 -1.009) 2.460 51.764 ( 3.879 0.000 -1.931) 4.333 51.927 ( 7.815 0.000 -3.905) 8.736 51.996 ( 8.639 0.000 -0.964) 8.693 52.226 ( 16.529 0.000 -1.405) 16.589 ======================= Grid point 87 (36/90) ======================= q-point: (-0.21 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -21.607 0.000 2.636) 21.768 1.597 ( -22.569 0.000 1.191) 22.600 1.950 ( -15.413 0.000 -2.172) 15.565 2.013 ( -14.333 0.000 -1.813) 14.447 2.251 ( -11.743 0.000 -0.333) 11.748 2.256 ( -8.646 0.000 -3.164) 9.207 2.325 ( -7.387 0.000 5.716) 9.340 2.342 ( -9.147 0.000 0.661) 9.171 2.475 ( -11.443 0.000 5.329) 12.623 2.488 ( -10.897 0.000 -2.313) 11.140 2.574 ( -9.264 0.000 -1.152) 9.336 2.625 ( -13.849 0.000 -0.991) 13.884 2.802 ( -4.707 0.000 -1.448) 4.925 2.804 ( -19.971 0.000 1.683) 20.042 2.837 ( -16.544 0.000 1.648) 16.625 2.892 ( -6.292 0.000 -6.145) 8.795 2.932 ( -6.536 0.000 0.542) 6.558 2.978 ( -7.033 0.000 0.977) 7.100 3.098 ( -8.575 0.000 3.357) 9.209 3.138 ( -5.939 0.000 2.580) 6.475 3.150 ( -4.093 0.000 1.249) 4.279 3.169 ( -7.198 0.000 0.753) 7.237 3.246 ( -7.735 0.000 0.755) 7.772 3.265 ( -6.575 0.000 -1.357) 6.713 3.298 ( -4.531 0.000 -0.867) 4.614 3.324 ( -8.753 0.000 -1.876) 8.952 3.429 ( -5.601 0.000 0.111) 5.602 3.483 ( -9.161 0.000 1.134) 9.231 3.488 ( -6.436 0.000 0.174) 6.438 3.543 ( -1.817 0.000 -0.964) 2.057 3.602 ( 0.196 0.000 0.747) 0.772 3.775 ( 0.583 0.000 -4.202) 4.242 3.880 ( -9.229 0.000 4.074) 10.088 3.919 ( 0.312 0.000 1.144) 1.186 4.010 ( 0.517 0.000 -0.422) 0.668 4.061 ( -5.872 0.000 2.363) 6.330 4.109 ( -10.656 0.000 -6.811) 12.647 4.181 ( -11.962 0.000 -5.171) 13.031 4.234 ( -0.959 0.000 -3.516) 3.644 4.410 ( -2.892 0.000 6.765) 7.357 4.500 ( 2.671 0.000 -5.139) 5.791 4.530 ( -0.462 0.000 -0.619) 0.773 4.635 ( -6.017 0.000 0.469) 6.035 4.635 ( 4.266 0.000 4.944) 6.531 4.795 ( 1.344 0.000 -0.606) 1.475 4.822 ( -0.054 0.000 -0.094) 0.108 4.885 ( 5.021 0.000 2.598) 5.653 5.039 ( 11.936 0.000 -1.785) 12.069 6.996 ( 0.366 0.000 -0.808) 0.887 7.106 ( -6.832 0.000 1.273) 6.950 7.193 ( -6.558 0.000 -0.497) 6.577 7.301 ( -8.245 0.000 -0.159) 8.247 7.500 ( -7.971 0.000 -2.278) 8.290 7.511 ( -2.278 0.000 4.910) 5.412 7.998 ( -7.164 0.000 -0.770) 7.206 8.034 ( -8.902 0.000 0.984) 8.956 8.118 ( -5.598 0.000 3.305) 6.501 8.301 ( -3.346 0.000 -4.871) 5.910 8.506 ( -6.519 0.000 -6.422) 9.151 8.605 ( -1.098 0.000 2.365) 2.607 8.683 ( -3.866 0.000 5.234) 6.507 8.836 ( -0.947 0.000 -4.661) 4.756 9.011 ( -9.623 0.000 -2.632) 9.977 9.131 ( -6.005 0.000 -1.827) 6.277 9.370 ( -13.250 0.000 -4.901) 14.127 9.583 ( -8.307 0.000 12.444) 14.962 9.663 ( -10.685 0.000 7.399) 12.997 9.692 ( -4.796 0.000 -1.241) 4.954 9.894 ( -11.229 0.000 -1.654) 11.350 9.902 ( -2.250 0.000 -9.141) 9.414 10.153 ( -8.163 0.000 0.530) 8.181 10.211 ( -5.756 0.000 1.063) 5.853 10.262 ( -8.472 0.000 -0.687) 8.500 10.326 ( -0.913 0.000 -0.306) 0.963 10.617 ( -5.101 0.000 3.093) 5.966 10.639 ( -5.388 0.000 2.875) 6.108 10.647 ( -5.652 0.000 -0.213) 5.656 11.032 ( -10.189 0.000 -7.622) 12.724 11.108 ( 1.687 0.000 5.371) 5.629 11.308 ( -9.517 0.000 3.322) 10.080 11.487 ( -13.815 0.000 -0.294) 13.819 11.715 ( -9.595 0.000 -2.876) 10.017 12.155 ( -13.495 0.000 -4.735) 14.302 12.321 ( -2.562 0.000 1.763) 3.111 12.545 ( -6.864 0.000 4.111) 8.001 12.819 ( 0.893 0.000 -5.662) 5.732 12.902 ( -5.150 0.000 1.927) 5.499 13.036 ( 2.949 0.000 0.047) 2.949 13.205 ( 5.692 0.000 1.444) 5.873 13.291 ( -0.852 0.000 -2.544) 2.683 13.447 ( 4.370 0.000 -9.612) 10.559 13.697 ( 8.269 0.000 -4.918) 9.621 13.875 ( 3.834 0.000 4.174) 5.668 13.939 ( 2.327 0.000 -2.868) 3.693 14.077 ( 1.320 0.000 10.982) 11.061 14.231 ( -3.895 0.000 -8.985) 9.793 15.183 ( 1.459 0.000 7.922) 8.055 15.513 ( 11.674 0.000 0.294) 11.678 15.683 ( 6.776 0.000 5.640) 8.816 15.755 ( 10.383 0.000 -3.405) 10.927 17.380 ( -1.526 0.000 -0.662) 1.663 17.422 ( -1.804 0.000 -0.408) 1.849 17.488 ( -1.987 0.000 0.230) 2.000 17.507 ( -1.550 0.000 0.399) 1.601 18.383 ( 0.461 0.000 0.379) 0.596 18.426 ( 0.184 0.000 -0.142) 0.232 18.457 ( 0.735 0.000 -0.521) 0.901 18.502 ( 0.689 0.000 0.430) 0.813 18.590 ( -0.906 0.000 -0.140) 0.916 18.686 ( -0.266 0.000 -0.582) 0.640 18.701 ( 1.315 0.000 -2.099) 2.477 18.736 ( 0.642 0.000 1.966) 2.068 18.829 ( -0.995 0.000 -0.595) 1.160 18.858 ( -0.734 0.000 0.958) 1.207 19.051 ( -1.181 0.000 -0.738) 1.392 19.092 ( -0.493 0.000 0.501) 0.703 34.955 ( 0.055 0.000 -0.225) 0.232 34.985 ( 0.251 0.000 -0.481) 0.542 35.022 ( 0.004 0.000 1.194) 1.194 35.059 ( -0.143 0.000 0.155) 0.211 35.207 ( 0.639 0.000 0.381) 0.744 35.213 ( 1.041 0.000 -0.166) 1.054 35.241 ( 0.892 0.000 -0.500) 1.022 35.250 ( 0.977 0.000 0.141) 0.987 51.447 ( 1.042 0.000 2.330) 2.552 51.544 ( 4.480 0.000 -0.211) 4.485 51.746 ( 2.621 0.000 0.503) 2.669 51.791 ( 3.222 0.000 -0.099) 3.224 51.888 ( 8.850 0.000 11.562) 14.560 52.071 ( 8.037 0.000 -5.121) 9.530 52.157 ( 7.922 0.000 -1.464) 8.056 52.561 ( 17.735 0.000 -2.283) 17.882 ======================= Grid point 88 (37/90) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -22.184 0.000 9.551) 24.153 1.143 ( -24.340 0.000 5.116) 24.872 1.624 ( -15.668 0.000 -6.656) 17.023 1.717 ( -14.524 0.000 -4.305) 15.149 1.960 ( -33.442 0.000 5.052) 33.822 2.041 ( -11.170 0.000 -4.689) 12.114 2.080 ( -19.518 0.000 5.569) 20.297 2.186 ( -7.032 0.000 1.621) 7.217 2.205 ( -6.310 0.000 3.644) 7.287 2.252 ( -11.568 0.000 -0.241) 11.571 2.263 ( -12.112 0.000 1.868) 12.256 2.437 ( -3.496 0.000 0.714) 3.568 2.492 ( -5.270 0.000 -5.656) 7.730 2.658 ( -8.919 0.000 -3.278) 9.503 2.707 ( -8.741 0.000 0.993) 8.798 2.751 ( -6.215 0.000 2.905) 6.860 2.823 ( -2.538 0.000 -0.123) 2.541 2.901 ( -2.648 0.000 0.872) 2.788 2.966 ( -7.469 0.000 3.554) 8.271 3.007 ( -7.616 0.000 0.678) 7.646 3.029 ( -7.522 0.000 0.411) 7.534 3.030 ( -6.879 0.000 -0.088) 6.879 3.080 ( -9.045 0.000 0.550) 9.061 3.123 ( -6.965 0.000 -4.134) 8.100 3.189 ( -2.635 0.000 -1.261) 2.921 3.235 ( -2.456 0.000 -2.235) 3.321 3.281 ( -8.876 0.000 -1.078) 8.941 3.332 ( -5.967 0.000 -0.317) 5.975 3.362 ( -6.297 0.000 -0.618) 6.327 3.497 ( -2.325 0.000 -3.159) 3.922 3.592 ( -3.927 0.000 2.574) 4.696 3.727 ( -4.849 0.000 3.144) 5.779 3.750 ( -3.204 0.000 -4.725) 5.709 3.812 ( -9.783 0.000 -4.853) 10.920 3.897 ( -4.425 0.000 1.273) 4.605 3.979 ( -3.840 0.000 2.125) 4.389 3.982 ( -4.224 0.000 0.768) 4.294 4.076 ( -0.253 0.000 -1.740) 1.758 4.157 ( -3.699 0.000 -0.377) 3.718 4.424 ( 1.670 0.000 1.916) 2.542 4.481 ( -1.824 0.000 -6.622) 6.868 4.505 ( -1.906 0.000 -2.574) 3.203 4.571 ( 0.849 0.000 0.901) 1.238 4.723 ( 2.745 0.000 6.157) 6.741 4.860 ( 4.370 0.000 -2.614) 5.092 4.863 ( 3.282 0.000 -0.032) 3.282 5.034 ( 7.274 0.000 6.308) 9.628 5.249 ( 9.755 0.000 -2.456) 10.060 6.954 ( -7.730 0.000 3.784) 8.607 7.004 ( 0.196 0.000 -1.243) 1.259 7.098 ( -3.714 0.000 -3.122) 4.852 7.156 ( -5.956 0.000 0.143) 5.957 7.348 ( -6.070 0.000 -5.615) 8.269 7.484 ( -3.439 0.000 8.160) 8.855 7.832 ( -8.285 0.000 -4.566) 9.459 7.844 ( -9.646 0.000 -0.005) 9.646 8.040 ( -3.821 0.000 3.907) 5.465 8.247 ( -1.144 0.000 -0.953) 1.489 8.348 ( -8.014 0.000 -1.307) 8.120 8.596 ( -0.525 0.000 0.679) 0.858 8.624 ( -4.789 0.000 3.925) 6.192 8.801 ( -8.544 0.000 -6.635) 10.818 8.814 ( 0.031 0.000 -6.078) 6.078 9.020 ( -4.216 0.000 -2.724) 5.020 9.135 ( -8.693 0.000 -1.056) 8.757 9.398 ( -11.702 0.000 6.618) 13.444 9.425 ( -15.565 0.000 7.304) 17.193 9.651 ( -1.368 0.000 6.331) 6.477 9.689 ( -9.097 0.000 1.502) 9.220 9.754 ( -11.799 0.000 -5.428) 12.988 9.998 ( -4.568 0.000 -0.808) 4.639 10.062 ( -12.389 0.000 -0.732) 12.411 10.174 ( 1.145 0.000 -1.271) 1.711 10.263 ( -4.639 0.000 -1.666) 4.929 10.513 ( -6.182 0.000 0.170) 6.185 10.513 ( -7.803 0.000 -6.846) 10.381 10.534 ( -6.806 0.000 4.259) 8.029 10.757 ( -11.704 0.000 1.149) 11.760 11.052 ( -17.938 0.000 3.229) 18.227 11.169 ( -2.286 0.000 -4.016) 4.621 11.268 ( -4.229 0.000 -3.281) 5.353 11.450 ( -11.362 0.000 0.452) 11.371 11.900 ( -9.364 0.000 -1.907) 9.556 12.019 ( -22.611 0.000 -9.739) 24.619 12.553 ( 5.678 0.000 -0.541) 5.703 12.821 ( -3.549 0.000 2.856) 4.555 12.878 ( 2.457 0.000 -3.348) 4.153 13.137 ( 6.808 0.000 2.747) 7.342 13.302 ( 2.139 0.000 -5.579) 5.975 13.354 ( 5.796 0.000 -0.483) 5.816 13.537 ( 8.865 0.000 -17.541) 19.654 13.789 ( 2.826 0.000 -5.238) 5.951 13.986 ( 4.421 0.000 -2.432) 5.046 14.013 ( 3.017 0.000 4.356) 5.299 14.115 ( -0.849 0.000 -10.652) 10.685 14.183 ( 4.528 0.000 7.937) 9.138 15.327 ( 10.407 0.000 25.838) 27.855 15.766 ( 13.103 0.000 0.788) 13.126 15.831 ( 5.783 0.000 7.503) 9.473 15.961 ( 11.456 0.000 -3.636) 12.019 17.355 ( -0.884 0.000 -0.119) 0.892 17.388 ( -1.430 0.000 -1.200) 1.866 17.452 ( -1.736 0.000 0.632) 1.848 17.473 ( -1.958 0.000 0.001) 1.958 18.395 ( 0.632 0.000 0.543) 0.834 18.431 ( 0.377 0.000 -0.041) 0.379 18.472 ( 0.861 0.000 -0.611) 1.056 18.516 ( 0.634 0.000 0.616) 0.884 18.575 ( -0.512 0.000 0.281) 0.584 18.675 ( -0.467 0.000 -1.036) 1.136 18.710 ( 0.163 0.000 -2.808) 2.813 18.753 ( 0.294 0.000 2.184) 2.204 18.809 ( -0.885 0.000 -1.068) 1.387 18.838 ( -1.582 0.000 0.319) 1.614 19.030 ( -0.799 0.000 -0.055) 0.801 19.079 ( -0.892 0.000 -0.002) 0.892 34.955 ( 0.020 0.000 0.074) 0.076 34.987 ( 0.225 0.000 -0.822) 0.853 35.027 ( -0.111 0.000 2.313) 2.316 35.049 ( -0.610 0.000 -0.576) 0.839 35.221 ( 0.720 0.000 0.456) 0.852 35.235 ( 1.166 0.000 -0.146) 1.175 35.254 ( 0.621 0.000 -0.954) 1.138 35.265 ( 0.487 0.000 -0.072) 0.492 51.471 ( 0.461 0.000 2.643) 2.683 51.604 ( 2.121 0.000 -5.838) 6.211 51.805 ( 2.762 0.000 3.147) 4.188 51.831 ( 0.929 0.000 1.930) 2.141 52.170 ( 14.669 0.000 22.520) 26.877 52.204 ( 6.943 0.000 -5.275) 8.720 52.294 ( 6.549 0.000 1.389) 6.695 52.890 ( 16.118 0.000 -2.704) 16.343 ======================= Grid point 89 (38/90) ======================= q-point: (-0.07 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -22.542 0.000 13.816) 26.439 0.717 ( -20.463 0.000 18.383) 27.508 1.212 ( -33.996 0.000 28.010) 44.049 1.382 ( -8.857 0.000 -10.166) 13.483 1.448 ( -9.545 0.000 -8.923) 13.066 1.791 ( -14.083 0.000 2.621) 14.325 1.841 ( -7.105 0.000 -1.263) 7.216 2.023 ( -11.077 0.000 -1.813) 11.224 2.088 ( -2.772 0.000 -0.228) 2.782 2.115 ( -3.253 0.000 1.147) 3.449 2.146 ( -1.112 0.000 1.143) 1.595 2.414 ( -1.042 0.000 -10.706) 10.757 2.422 ( 0.994 0.000 -2.037) 2.267 2.509 ( -8.863 0.000 0.478) 8.876 2.515 ( -4.701 0.000 3.015) 5.584 2.683 ( -5.406 0.000 6.608) 8.538 2.739 ( -5.591 0.000 -1.464) 5.780 2.828 ( -7.062 0.000 -8.840) 11.315 2.840 ( -5.371 0.000 5.511) 7.695 2.867 ( -2.638 0.000 -3.135) 4.097 2.912 ( -4.230 0.000 -0.521) 4.262 2.924 ( -5.913 0.000 0.460) 5.931 2.942 ( -1.949 0.000 -1.795) 2.650 3.002 ( -3.069 0.000 -1.287) 3.328 3.143 ( -4.380 0.000 -3.433) 5.565 3.155 ( -1.905 0.000 -3.008) 3.561 3.189 ( -1.105 0.000 -2.870) 3.075 3.229 ( -3.767 0.000 0.487) 3.798 3.249 ( -4.391 0.000 1.030) 4.510 3.446 ( -1.330 0.000 -5.660) 5.814 3.470 ( -7.221 0.000 3.660) 8.096 3.576 ( -7.175 0.000 -6.743) 9.846 3.714 ( 0.605 0.000 2.093) 2.179 3.745 ( -1.323 0.000 3.377) 3.627 3.836 ( -1.772 0.000 1.866) 2.574 3.869 ( -6.582 0.000 2.957) 7.216 3.934 ( -1.847 0.000 2.180) 2.857 4.097 ( 2.029 0.000 -0.706) 2.148 4.113 ( -1.053 0.000 -2.780) 2.973 4.432 ( -0.030 0.000 -9.369) 9.369 4.464 ( 1.150 0.000 0.342) 1.200 4.475 ( -0.380 0.000 -1.036) 1.104 4.603 ( 1.111 0.000 3.493) 3.666 4.777 ( 0.726 0.000 6.369) 6.410 4.919 ( 2.504 0.000 -4.673) 5.301 4.930 ( 3.265 0.000 -0.502) 3.304 5.176 ( 4.484 0.000 7.816) 9.011 5.395 ( 5.658 0.000 -2.775) 6.301 6.851 ( -3.981 0.000 4.576) 6.065 6.980 ( -1.614 0.000 -1.081) 1.942 7.031 ( -1.546 0.000 -2.962) 3.341 7.088 ( -1.302 0.000 -0.799) 1.527 7.209 ( -6.963 0.000 -7.938) 10.559 7.374 ( -10.327 0.000 5.397) 11.652 7.687 ( -5.506 0.000 0.743) 5.556 7.697 ( -3.195 0.000 -3.744) 4.922 7.988 ( -2.880 0.000 4.600) 5.427 8.172 ( -7.794 0.000 5.234) 9.389 8.278 ( 2.584 0.000 -1.011) 2.774 8.493 ( -6.171 0.000 -4.554) 7.669 8.574 ( -2.364 0.000 -0.754) 2.481 8.709 ( -0.966 0.000 1.202) 1.542 8.782 ( -1.916 0.000 -9.318) 9.513 8.960 ( -0.840 0.000 -3.826) 3.918 9.034 ( -2.264 0.000 1.858) 2.929 9.156 ( -11.921 0.000 7.869) 14.284 9.221 ( -5.606 0.000 0.156) 5.609 9.475 ( -13.108 0.000 -1.594) 13.204 9.556 ( -4.986 0.000 0.688) 5.034 9.656 ( -2.556 0.000 10.568) 10.873 9.815 ( -9.593 0.000 -0.947) 9.639 9.937 ( -2.456 0.000 -2.177) 3.282 10.135 ( -16.727 0.000 -22.056) 27.681 10.228 ( 4.225 0.000 -2.864) 5.104 10.239 ( -12.991 0.000 -10.543) 16.731 10.349 ( -7.271 0.000 -6.089) 9.484 10.454 ( -3.089 0.000 6.230) 6.954 10.584 ( -7.480 0.000 -2.258) 7.813 10.722 ( -14.129 0.000 5.609) 15.202 10.908 ( -16.020 0.000 -4.540) 16.651 11.262 ( -0.197 0.000 -2.845) 2.851 11.324 ( -3.170 0.000 -0.287) 3.183 11.603 ( -10.433 0.000 -2.176) 10.658 11.785 ( -2.556 0.000 -2.046) 3.274 12.642 ( 0.982 0.000 -0.302) 1.028 12.841 ( 6.563 0.000 1.234) 6.678 12.874 ( -0.672 0.000 -5.289) 5.331 13.210 ( -4.968 0.000 -1.485) 5.185 13.333 ( 3.970 0.000 -1.284) 4.172 13.383 ( -2.542 0.000 1.153) 2.791 13.590 ( -1.840 0.000 -16.563) 16.665 13.816 ( 1.852 0.000 -5.022) 5.352 13.922 ( 1.309 0.000 -9.981) 10.066 14.057 ( 2.736 0.000 -5.780) 6.395 14.238 ( 5.666 0.000 2.685) 6.270 14.267 ( 1.749 0.000 3.889) 4.264 15.862 ( 32.990 0.000 35.453) 48.428 15.941 ( 3.640 0.000 9.206) 9.900 15.989 ( 8.476 0.000 -0.262) 8.480 16.171 ( 9.877 0.000 0.267) 9.880 17.347 ( 0.013 0.000 0.446) 0.446 17.356 ( -1.408 0.000 -1.321) 1.931 17.423 ( -1.551 0.000 0.842) 1.765 17.434 ( -1.761 0.000 -0.240) 1.777 18.409 ( 0.516 0.000 0.849) 0.994 18.441 ( 0.646 0.000 0.405) 0.762 18.483 ( 0.441 0.000 -0.937) 1.036 18.530 ( 0.298 0.000 -0.137) 0.329 18.574 ( 0.196 0.000 0.988) 1.007 18.663 ( -0.334 0.000 -1.183) 1.229 18.691 ( -0.696 0.000 -1.611) 1.755 18.760 ( -0.299 0.000 1.707) 1.733 18.782 ( -1.548 0.000 -1.307) 2.026 18.800 ( -1.947 0.000 -0.538) 2.020 19.019 ( -0.341 0.000 0.435) 0.552 19.059 ( -0.956 0.000 -0.247) 0.987 34.958 ( 0.183 0.000 0.493) 0.526 34.991 ( 0.516 0.000 -0.750) 0.910 35.016 ( -1.574 0.000 1.135) 1.940 35.046 ( 0.204 0.000 -0.658) 0.689 35.237 ( 0.757 0.000 0.311) 0.818 35.255 ( 0.734 0.000 -0.197) 0.760 35.259 ( 0.451 0.000 -1.217) 1.298 35.267 ( -0.341 0.000 -0.004) 0.341 51.476 ( -0.637 0.000 1.744) 1.856 51.587 ( -1.022 0.000 -8.241) 8.304 51.847 ( -0.782 0.000 7.918) 7.956 51.868 ( 2.099 0.000 5.686) 6.061 52.307 ( 4.898 0.000 -3.889) 6.254 52.365 ( 3.727 0.000 -2.270) 4.364 52.735 ( 32.400 0.000 35.975) 48.414 53.154 ( 10.646 0.000 -1.302) 10.726 ======================= Grid point 90 (39/90) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.679 20.108 15.606) 25.463 0.791 ( 1.430 19.367 17.257) 25.980 1.289 ( -1.232 25.550 28.925) 38.613 1.338 ( 1.824 3.023 -9.992) 10.598 1.442 ( -1.852 -10.568 7.059) 12.843 1.472 ( 1.329 8.351 -6.515) 10.675 1.764 ( 1.259 -9.560 -0.950) 9.690 1.817 ( -1.712 -8.798 0.172) 8.965 1.890 ( -1.032 1.033 -5.227) 5.427 2.162 ( -2.091 8.815 -0.187) 9.062 2.183 ( 1.271 0.400 -5.229) 5.396 2.362 ( -0.677 1.905 0.747) 2.155 2.407 ( 4.496 4.215 -1.330) 6.305 2.506 ( -1.172 3.440 -4.487) 5.774 2.541 ( 0.487 -0.182 0.479) 0.707 2.628 ( -0.905 -5.855 -0.076) 5.925 2.666 ( -2.483 0.168 4.699) 5.317 2.693 ( -1.521 -2.980 0.804) 3.441 2.735 ( -0.436 -0.642 -0.974) 1.245 2.797 ( 0.479 -4.546 -0.160) 4.574 2.822 ( 1.678 -1.260 -2.401) 3.189 2.875 ( -1.305 -1.118 0.590) 1.817 2.932 ( -2.053 -0.705 -2.967) 3.676 2.950 ( 1.495 0.413 -4.304) 4.575 2.978 ( -0.863 -8.676 -1.667) 8.876 3.050 ( 0.275 -0.493 -3.506) 3.551 3.183 ( 1.644 -10.483 2.878) 10.994 3.210 ( 0.412 -0.134 -1.245) 1.318 3.251 ( 0.218 2.767 0.841) 2.901 3.347 ( -0.735 2.443 0.605) 2.622 3.393 ( -0.980 0.947 2.777) 3.094 3.495 ( -2.232 0.255 -2.226) 3.163 3.560 ( 1.876 -3.493 -0.570) 4.005 3.665 ( 1.546 -3.689 -1.542) 4.287 3.728 ( -0.098 -10.500 -2.619) 10.822 3.804 ( 0.611 -4.922 -3.871) 6.291 3.931 ( -0.320 3.886 2.261) 4.507 4.063 ( -0.179 -1.881 -4.602) 4.975 4.357 ( -0.738 8.763 -0.425) 8.804 4.385 ( 0.493 1.069 -1.675) 2.047 4.497 ( -0.993 6.933 4.114) 8.122 4.655 ( -0.225 5.756 0.893) 5.829 4.668 ( 1.158 5.407 1.382) 5.700 4.816 ( -1.384 4.304 -0.765) 4.586 4.865 ( 0.780 -3.458 3.207) 4.780 5.021 ( 0.298 3.106 -2.437) 3.960 5.193 ( -0.263 -4.504 6.312) 7.758 5.376 ( 0.561 -6.890 -2.842) 7.475 6.938 ( 1.460 4.900 -2.626) 5.748 7.009 ( -0.644 2.443 -3.331) 4.181 7.020 ( -1.000 3.562 -1.927) 4.172 7.140 ( 2.609 2.138 -4.662) 5.754 7.187 ( 1.174 2.606 -0.087) 2.860 7.209 ( 5.338 1.902 -0.789) 5.722 7.594 ( -3.073 -4.095 0.889) 5.196 7.627 ( 2.198 -3.836 -1.524) 4.676 7.902 ( -2.515 -1.585 11.179) 11.568 8.084 ( -5.343 -7.807 12.610) 15.764 8.204 ( -5.032 -4.448 8.792) 11.064 8.308 ( 2.256 -4.242 2.811) 5.566 8.517 ( 2.243 7.431 -4.763) 9.107 8.580 ( 1.689 6.174 -5.209) 8.253 8.822 ( 1.462 -0.096 0.423) 1.525 8.887 ( 0.606 -5.400 -3.532) 6.481 9.050 ( -3.397 1.251 1.793) 4.039 9.102 ( 2.019 0.782 4.292) 4.807 9.271 ( 4.120 1.771 -4.600) 6.424 9.350 ( -4.277 0.895 -0.776) 4.438 9.533 ( -2.382 8.766 -5.988) 10.880 9.651 ( -7.073 15.228 -11.919) 20.591 9.729 ( -1.394 5.651 2.162) 6.209 9.858 ( 2.821 -0.524 -2.094) 3.552 9.906 ( -0.363 1.746 4.915) 5.228 10.169 ( 0.177 -6.900 -3.219) 7.616 10.182 ( -2.615 -3.364 -3.915) 5.786 10.252 ( 4.032 -4.182 -3.179) 6.622 10.433 ( 3.961 -1.901 5.993) 7.431 10.513 ( 2.675 -3.457 5.303) 6.872 10.588 ( -1.860 3.923 -2.382) 4.953 10.799 ( 1.652 -4.128 -4.363) 6.230 11.261 ( 0.414 2.365 1.168) 2.670 11.395 ( 0.773 7.003 -4.242) 8.223 11.482 ( 0.455 -4.282 3.916) 5.820 11.697 ( -0.220 -4.468 -4.972) 6.688 12.786 ( 2.236 4.247 -3.201) 5.769 12.886 ( -2.943 1.082 -3.208) 4.486 12.915 ( -0.252 -0.079 -1.102) 1.134 13.054 ( 4.495 -2.545 -6.668) 8.435 13.388 ( -6.639 7.352 -4.160) 10.744 13.419 ( -5.510 9.029 -6.597) 12.466 13.518 ( 1.825 -1.547 4.052) 4.706 13.835 ( 1.521 0.277 -9.271) 9.399 13.958 ( -1.968 -2.474 -3.872) 4.998 14.069 ( 5.539 0.419 -7.567) 9.388 14.282 ( -1.385 2.305 -2.155) 3.446 14.329 ( -1.146 2.383 -1.801) 3.199 15.907 ( -2.845 -2.482 13.245) 13.773 16.056 ( -0.044 -6.617 14.632) 16.059 16.229 ( 1.496 -2.707 2.558) 4.014 16.311 ( -0.116 -2.641 1.994) 3.311 17.353 ( 0.534 -0.000 0.617) 0.816 17.371 ( 0.274 -0.674 0.164) 0.746 17.407 ( 0.588 0.537 0.230) 0.829 17.415 ( 0.044 0.262 -0.310) 0.409 18.442 ( 0.399 1.259 -0.099) 1.325 18.459 ( 0.728 -0.023 0.986) 1.226 18.484 ( -0.430 0.386 -1.016) 1.169 18.498 ( -1.344 -0.074 -0.455) 1.421 18.598 ( 0.563 1.401 1.636) 2.226 18.676 ( -0.299 1.120 -1.223) 1.685 18.699 ( 0.694 -2.051 0.119) 2.169 18.746 ( 1.273 -1.091 -0.944) 1.924 18.762 ( -0.453 0.545 0.144) 0.723 18.784 ( 0.997 -0.199 -0.833) 1.315 19.025 ( 0.246 0.430 0.474) 0.686 19.044 ( -0.089 -0.281 -0.291) 0.414 34.971 ( 0.263 0.452 0.831) 0.982 34.987 ( -0.807 -0.155 0.466) 0.944 35.007 ( 0.864 0.072 -0.415) 0.961 35.020 ( -0.647 -0.649 -1.056) 1.398 35.250 ( -0.810 -0.124 0.081) 0.823 35.250 ( 0.284 -0.084 -0.077) 0.306 35.259 ( 0.020 -0.013 -0.591) 0.591 35.266 ( 0.352 -0.322 -0.602) 0.768 51.489 ( -1.064 2.804 1.145) 3.210 51.592 ( 0.805 1.770 -3.819) 4.286 51.759 ( -0.892 -4.416 4.917) 6.669 51.912 ( -1.890 -4.970 0.833) 5.382 52.250 ( 2.831 2.188 12.596) 13.095 52.651 ( 0.492 11.478 -1.956) 11.653 52.857 ( 0.937 -24.855 25.506) 35.626 53.179 ( 0.232 -8.478 -1.371) 8.591 ======================= Grid point 91 (40/90) ======================= q-point: ( 0.07 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 11.720 14.084 15.767) 24.172 1.067 ( 14.993 13.030 17.799) 26.672 1.400 ( 5.731 0.282 -10.796) 12.226 1.492 ( 14.626 0.425 -10.208) 17.841 1.583 ( 16.076 5.482 17.392) 24.310 1.677 ( 14.382 5.751 12.684) 20.020 1.816 ( 3.263 -10.307 -3.428) 11.341 1.885 ( 9.030 -4.125 -0.941) 9.972 1.925 ( 5.951 -2.315 -5.410) 8.369 2.168 ( 4.615 9.291 0.758) 10.402 2.266 ( 7.093 5.702 -2.286) 9.383 2.394 ( 2.744 4.508 -0.022) 5.278 2.429 ( 2.302 4.892 -3.327) 6.348 2.541 ( 5.683 2.889 -5.733) 8.574 2.597 ( 2.150 -3.984 0.368) 4.542 2.648 ( 3.327 -2.017 1.609) 4.210 2.678 ( 5.915 -2.305 -0.488) 6.367 2.739 ( 5.043 -0.832 -0.158) 5.114 2.814 ( 5.668 -0.956 1.796) 6.022 2.843 ( 3.569 -2.431 2.922) 5.214 2.894 ( 4.685 -1.822 -0.922) 5.111 2.907 ( 6.553 -3.875 1.385) 7.738 2.933 ( 3.843 -0.480 -0.442) 3.898 2.979 ( 2.486 -3.410 -2.119) 4.722 3.034 ( 5.951 -3.538 -4.471) 8.242 3.122 ( 7.131 1.164 -4.354) 8.435 3.218 ( 2.991 1.203 -1.187) 3.435 3.267 ( 3.526 -1.932 3.364) 5.242 3.320 ( 3.974 0.836 -1.242) 4.247 3.388 ( 6.070 -4.492 -0.125) 7.552 3.424 ( 3.268 2.095 3.094) 4.964 3.483 ( 1.534 -2.334 0.605) 2.858 3.612 ( 3.218 -1.730 -0.623) 3.706 3.706 ( 3.506 -4.102 -2.321) 5.874 3.765 ( 4.792 -10.702 -2.840) 12.065 3.803 ( 0.821 -5.742 -4.230) 7.179 3.947 ( 1.198 3.346 2.424) 4.302 4.054 ( 0.722 -1.379 -4.498) 4.760 4.328 ( -1.868 6.293 -1.807) 6.809 4.374 ( -1.107 1.230 -1.293) 2.100 4.479 ( -1.912 8.569 4.602) 9.913 4.649 ( -0.389 6.142 0.052) 6.155 4.677 ( -1.186 2.329 3.202) 4.133 4.756 ( -3.689 4.175 -3.506) 6.583 4.876 ( -0.771 -0.607 4.897) 4.994 4.998 ( -1.849 2.300 -1.965) 3.545 5.163 ( -4.506 -4.674 5.219) 8.330 5.332 ( -4.116 -6.023 -2.786) 7.809 6.943 ( -0.661 8.470 0.882) 8.541 6.978 ( 2.681 3.066 -1.367) 4.296 7.075 ( 3.911 -0.190 -1.370) 4.148 7.126 ( 0.378 -0.253 -2.220) 2.266 7.187 ( 2.895 2.394 -2.690) 4.621 7.519 ( 4.768 -11.212 -2.670) 12.473 7.563 ( 11.572 3.162 -0.847) 12.026 7.754 ( 8.826 -1.211 -2.615) 9.284 7.935 ( 1.735 -2.145 10.653) 11.005 8.095 ( 3.151 -8.584 6.876) 11.441 8.165 ( -0.572 0.180 1.380) 1.505 8.352 ( 1.788 -3.794 4.993) 6.521 8.634 ( 8.263 4.053 -4.563) 10.272 8.659 ( 6.112 5.540 -3.741) 9.058 8.891 ( 4.316 -1.915 -1.817) 5.059 8.906 ( 3.461 -2.840 -2.756) 5.258 9.058 ( 3.664 2.850 3.623) 5.889 9.140 ( 0.096 2.140 -2.221) 3.085 9.305 ( 9.534 6.506 7.867) 13.968 9.429 ( 7.232 1.210 0.328) 7.340 9.625 ( 8.717 5.554 -4.050) 11.101 9.706 ( 10.426 12.542 -4.059) 16.807 9.783 ( 4.802 4.570 1.587) 6.816 9.889 ( 4.253 1.164 -0.384) 4.426 10.029 ( 7.854 -6.013 -3.211) 10.399 10.152 ( 3.127 -2.772 -0.317) 4.191 10.214 ( 4.996 -5.380 -3.279) 8.040 10.304 ( 2.388 -3.960 -3.361) 5.717 10.517 ( 4.202 1.778 3.093) 5.512 10.571 ( 3.684 0.023 1.346) 3.923 10.775 ( 16.141 -0.792 3.977) 16.643 11.019 ( 17.566 -12.139 -12.135) 24.559 11.297 ( 3.633 0.894 0.851) 3.837 11.395 ( 0.478 5.470 -3.381) 6.448 11.525 ( 5.002 -3.732 2.098) 6.584 11.705 ( 3.751 -3.234 -5.175) 7.163 12.784 ( -3.734 2.106 -1.798) 4.648 12.816 ( 0.413 0.197 -2.173) 2.220 12.906 ( 1.812 5.318 -7.123) 9.072 13.162 ( 0.717 5.938 -2.487) 6.478 13.200 ( -3.782 -1.205 0.462) 3.996 13.317 ( -5.486 -1.249 3.711) 6.739 13.564 ( -0.118 -0.209 1.387) 1.407 13.754 ( -6.021 -3.941 -15.594) 17.174 13.923 ( 0.274 5.691 -1.103) 5.803 14.139 ( 3.131 0.523 -7.357) 8.013 14.198 ( -6.701 0.983 1.474) 6.931 14.257 ( -5.341 1.251 0.365) 5.498 15.811 ( -10.536 -1.650 12.246) 16.239 15.963 ( -13.704 -6.630 16.692) 22.592 16.097 ( -9.794 4.354 0.388) 10.725 16.224 ( -8.105 -1.531 -0.334) 8.255 17.359 ( 0.162 0.123 0.192) 0.280 17.376 ( 0.511 -0.752 -0.069) 0.911 17.415 ( 1.185 0.637 -0.231) 1.365 17.445 ( 1.449 -0.651 -0.256) 1.609 18.438 ( -0.684 1.198 1.118) 1.776 18.468 ( -0.565 0.368 -1.501) 1.646 18.472 ( 0.003 -0.428 1.672) 1.726 18.478 ( -0.612 -0.007 -1.036) 1.203 18.613 ( 0.328 1.497 1.704) 2.292 18.662 ( -0.683 1.160 -2.516) 2.854 18.687 ( -0.245 -0.819 -0.122) 0.863 18.752 ( 0.237 -1.049 0.052) 1.076 18.786 ( 1.483 -0.070 -0.394) 1.536 18.828 ( 2.203 -1.615 -1.384) 3.062 19.040 ( 0.932 0.260 0.501) 1.090 19.049 ( 0.675 -0.148 -0.568) 0.895 34.978 ( 0.157 0.083 0.823) 0.842 34.981 ( 0.147 0.024 0.229) 0.273 35.010 ( 0.074 0.145 -1.254) 1.265 35.027 ( 0.923 -0.399 0.522) 1.133 35.230 ( -0.994 0.242 0.024) 1.023 35.248 ( -0.470 -0.496 -0.149) 0.699 35.258 ( -0.065 0.068 -0.500) 0.509 35.264 ( -0.382 -0.292 -0.431) 0.646 51.469 ( -1.138 3.069 1.251) 3.504 51.593 ( -0.162 0.295 -3.208) 3.225 51.767 ( -0.120 -4.301 4.615) 6.310 51.872 ( -2.333 -5.801 0.771) 6.300 52.294 ( -2.367 4.240 10.979) 12.005 52.584 ( -6.307 13.055 -7.057) 16.125 52.736 ( -15.504 -14.626 23.263) 31.551 53.066 ( -10.707 -8.299 -3.528) 13.998 ======================= Grid point 92 (41/90) ======================= q-point: ( 0.14 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 20.187 6.144 9.235) 23.033 1.436 ( 16.768 7.596 15.931) 24.345 1.553 ( 12.181 1.535 -6.578) 13.929 1.785 ( 15.953 3.741 -13.696) 21.356 1.862 ( 7.465 -11.962 8.081) 16.252 1.899 ( 10.780 -4.889 1.104) 11.888 2.066 ( 13.010 -6.196 -0.750) 14.429 2.084 ( 14.722 -7.076 -6.666) 17.642 2.116 ( 15.367 6.939 0.985) 16.890 2.378 ( 11.975 6.338 1.166) 13.598 2.420 ( 9.850 4.519 0.454) 10.847 2.497 ( 8.924 8.578 1.202) 12.437 2.533 ( 8.502 3.455 1.326) 9.272 2.614 ( 4.050 -7.071 0.528) 8.166 2.712 ( 8.090 3.837 1.781) 9.129 2.759 ( 9.233 1.394 -4.692) 10.450 2.813 ( 5.059 -0.272 -0.008) 5.066 2.877 ( 9.446 0.610 0.192) 9.467 2.915 ( 5.816 -3.780 2.242) 7.290 2.983 ( 7.259 -1.972 1.926) 7.765 3.016 ( 7.098 0.249 -0.086) 7.103 3.025 ( 6.129 0.301 -0.812) 6.190 3.073 ( 7.834 -4.300 0.332) 8.942 3.106 ( 10.893 -1.144 2.777) 11.299 3.176 ( 10.242 0.903 -4.559) 11.247 3.237 ( 4.387 2.381 -0.679) 5.037 3.294 ( 4.778 2.698 0.124) 5.488 3.361 ( 3.786 -0.847 1.546) 4.176 3.415 ( 8.392 1.067 -3.463) 9.141 3.489 ( 4.509 2.293 1.398) 5.249 3.502 ( 3.970 2.531 -2.027) 5.126 3.615 ( 7.186 -10.417 3.652) 13.172 3.687 ( 5.746 0.032 0.398) 5.760 3.791 ( 6.369 -5.584 -3.052) 9.003 3.823 ( 3.582 -4.055 -2.387) 5.914 3.891 ( 7.658 -9.558 -2.908) 12.588 3.996 ( 3.142 2.181 1.753) 4.207 4.072 ( 2.553 -1.018 -3.980) 4.837 4.273 ( -2.808 3.530 -3.644) 5.798 4.341 ( -1.275 0.052 -2.300) 2.630 4.463 ( -1.016 8.771 4.959) 10.127 4.622 ( -4.750 0.682 0.877) 4.879 4.648 ( -0.350 3.128 1.767) 3.609 4.684 ( -1.316 4.428 -2.349) 5.182 4.868 ( -1.598 0.067 4.755) 5.016 4.942 ( -2.993 2.517 -1.834) 4.319 5.055 ( -7.614 -4.202 3.687) 9.446 5.204 ( -7.826 -4.036 -2.633) 9.191 6.973 ( 2.936 5.488 0.442) 6.239 7.047 ( 4.025 2.436 0.174) 4.708 7.146 ( 3.779 0.392 -2.247) 4.414 7.175 ( 5.013 0.184 0.243) 5.023 7.255 ( 4.586 -1.109 -1.119) 4.849 7.528 ( 0.455 -5.710 1.820) 6.010 7.837 ( 12.333 -0.038 0.445) 12.341 7.934 ( 10.244 1.094 -4.363) 11.188 8.011 ( 2.919 -1.497 9.231) 9.797 8.188 ( 3.992 -6.005 -4.155) 8.322 8.221 ( 7.226 0.714 -2.603) 7.714 8.421 ( 3.478 -2.869 5.084) 6.795 8.697 ( 1.559 2.206 -0.978) 2.873 8.783 ( 3.854 0.666 -2.670) 4.736 8.977 ( 6.925 0.819 0.678) 7.006 9.016 ( 9.002 0.092 -8.092) 12.105 9.174 ( 3.344 3.846 -2.797) 5.813 9.234 ( 11.333 -1.750 6.967) 13.418 9.529 ( 8.304 3.489 7.250) 11.563 9.609 ( 9.930 3.030 1.039) 10.434 9.805 ( 10.698 1.136 -0.762) 10.785 9.875 ( 6.885 2.581 -1.692) 7.545 9.919 ( 8.930 2.303 1.272) 9.310 10.069 ( 6.740 1.549 -5.146) 8.620 10.084 ( 6.647 -1.341 0.461) 6.797 10.269 ( 3.570 -1.157 -2.288) 4.395 10.368 ( 10.240 -3.166 -0.367) 10.725 10.405 ( 9.221 -3.559 2.090) 10.103 10.637 ( 5.736 2.048 5.109) 7.950 10.687 ( 8.705 -2.056 -2.376) 9.255 11.095 ( 10.932 2.048 0.656) 11.141 11.230 ( 9.597 -2.665 -5.949) 11.601 11.385 ( 2.970 -0.647 3.207) 4.418 11.419 ( 5.643 1.327 -0.340) 5.807 11.809 ( 22.462 -3.242 -4.589) 23.154 11.880 ( 16.527 -2.622 -2.717) 16.953 12.736 ( -2.794 0.401 -0.467) 2.861 12.786 ( -1.271 -0.084 0.104) 1.278 12.930 ( 1.853 6.863 -6.549) 9.665 13.057 ( -5.108 8.425 3.609) 10.493 13.197 ( -2.654 -5.537 1.299) 6.276 13.277 ( -0.607 -6.544 1.680) 6.784 13.484 ( -5.306 -1.345 -11.724) 12.939 13.608 ( -3.221 -1.396 -8.454) 9.154 13.949 ( 1.431 5.407 1.791) 5.873 14.020 ( -9.621 3.453 0.742) 10.249 14.096 ( -7.361 0.427 0.163) 7.375 14.212 ( 1.469 -3.322 -0.979) 3.762 15.607 ( -12.463 -1.361 10.980) 16.665 15.709 ( -14.633 -4.467 8.550) 17.526 15.898 ( -10.910 5.260 0.329) 12.116 16.022 ( -11.052 -0.976 -2.028) 11.278 17.374 ( 1.259 0.243 0.053) 1.284 17.384 ( 0.609 -0.082 -0.889) 1.081 17.453 ( 2.255 0.123 0.561) 2.327 17.469 ( 1.344 -0.452 -0.179) 1.429 18.427 ( -0.862 0.898 1.405) 1.877 18.447 ( -0.894 0.192 -1.571) 1.818 18.466 ( -0.255 -0.125 -1.254) 1.286 18.474 ( -0.399 -0.592 1.678) 1.824 18.622 ( 0.206 0.715 1.011) 1.255 18.643 ( -0.287 0.320 -2.260) 2.301 18.690 ( 0.332 0.533 -0.239) 0.672 18.756 ( -0.035 -1.420 0.102) 1.424 18.813 ( 1.241 0.579 0.033) 1.370 18.848 ( 0.527 -0.718 -0.217) 0.916 19.061 ( 0.600 0.027 -0.773) 0.979 19.062 ( 1.144 -0.021 0.570) 1.278 34.983 ( 0.342 0.013 0.041) 0.345 34.989 ( 0.375 -0.106 0.485) 0.622 35.011 ( 0.209 0.458 -1.019) 1.136 35.039 ( -0.149 -0.566 1.097) 1.243 35.217 ( -0.408 0.355 0.265) 0.602 35.236 ( -0.691 -0.374 0.188) 0.808 35.250 ( -0.716 -0.074 -0.583) 0.926 35.251 ( -0.724 -0.073 -0.445) 0.853 51.454 ( -0.943 2.618 1.773) 3.300 51.559 ( -2.492 -0.612 -1.369) 2.908 51.767 ( -1.503 -2.509 3.187) 4.326 51.825 ( -2.688 -5.301 1.392) 6.104 52.222 ( -7.652 4.994 7.343) 11.722 52.368 ( -12.138 6.843 -3.086) 14.272 52.521 ( -12.145 -3.546 12.069) 17.486 52.769 ( -16.707 -6.322 -7.576) 19.404 ======================= Grid point 93 (42/90) ======================= q-point: ( 0.21 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 20.691 2.641 3.970) 21.233 1.798 ( 15.261 3.635 6.571) 17.008 1.825 ( 16.976 3.740 1.157) 17.422 1.970 ( 10.639 1.020 -10.156) 14.743 2.097 ( 13.424 -4.739 1.428) 14.308 2.153 ( 11.941 -5.845 7.828) 15.428 2.271 ( 10.593 -3.051 -6.753) 12.928 2.345 ( 13.653 -7.318 -1.648) 15.578 2.455 ( 15.029 0.251 0.718) 15.049 2.558 ( 9.485 3.103 -3.311) 10.515 2.564 ( 5.654 -2.134 0.843) 6.102 2.665 ( 8.057 5.895 0.971) 10.030 2.732 ( 7.412 -3.334 0.874) 8.174 2.843 ( 13.681 2.702 -2.081) 14.099 2.874 ( 8.407 3.528 -0.811) 9.153 2.914 ( 7.425 -0.112 2.363) 7.793 2.949 ( 8.701 1.991 1.201) 9.006 3.025 ( 6.073 -2.231 -3.150) 7.196 3.065 ( 6.242 0.041 2.090) 6.582 3.102 ( 6.885 -1.628 -0.863) 7.128 3.167 ( 7.391 -0.262 0.613) 7.421 3.185 ( 7.270 1.641 3.451) 8.213 3.233 ( 7.815 -3.268 -0.481) 8.484 3.277 ( 5.026 3.497 0.919) 6.191 3.343 ( 8.411 -1.725 -2.440) 8.927 3.391 ( 5.484 1.674 2.595) 6.294 3.405 ( 11.514 5.136 -1.653) 12.716 3.466 ( 6.456 -0.142 4.895) 8.103 3.525 ( 3.299 -2.282 1.471) 4.272 3.565 ( 3.833 1.530 -0.629) 4.175 3.634 ( 7.437 2.371 -3.247) 8.455 3.729 ( 6.150 -2.316 2.911) 7.187 3.795 ( 5.704 0.336 -3.234) 6.566 3.926 ( 7.206 -4.013 -3.830) 9.094 3.942 ( 5.382 -3.778 2.864) 7.173 4.034 ( 3.772 -1.574 -1.848) 4.486 4.082 ( 7.817 -0.806 0.747) 7.894 4.127 ( 4.867 -0.043 -1.242) 5.023 4.216 ( -0.536 0.999 -3.589) 3.764 4.331 ( 1.422 -1.450 -4.659) 5.083 4.453 ( -1.794 4.869 0.579) 5.221 4.538 ( -2.831 1.924 3.953) 5.229 4.654 ( 1.482 0.653 2.290) 2.804 4.724 ( 5.257 0.360 -1.404) 5.453 4.829 ( -3.594 -0.465 1.778) 4.036 4.889 ( -3.559 3.018 -0.668) 4.715 4.912 ( -4.721 -3.369 1.349) 5.955 5.023 ( -9.056 -1.058 -1.597) 9.256 7.045 ( 4.559 3.018 -1.637) 5.708 7.121 ( 3.398 3.231 1.298) 4.865 7.231 ( 4.960 -2.575 1.616) 5.817 7.310 ( 8.389 1.079 -0.051) 8.458 7.355 ( 5.742 -1.960 -0.613) 6.098 7.557 ( 2.238 -2.086 0.380) 3.083 8.045 ( 8.141 1.053 3.510) 8.928 8.089 ( 4.001 1.789 2.126) 4.871 8.123 ( 7.475 -0.719 3.518) 8.293 8.266 ( 5.423 -5.321 -9.304) 12.012 8.364 ( 9.118 2.985 -4.803) 10.730 8.508 ( 3.712 -1.487 3.774) 5.498 8.731 ( 2.692 1.337 0.060) 3.007 8.823 ( 2.355 -1.807 -2.176) 3.680 9.097 ( 5.872 2.323 -0.099) 6.316 9.224 ( 4.989 2.122 -2.289) 5.885 9.260 ( 13.010 3.901 -4.526) 14.317 9.481 ( 10.654 -4.099 5.603) 12.716 9.674 ( 5.472 1.472 3.535) 6.679 9.787 ( 7.201 3.369 2.449) 8.319 9.998 ( 7.297 -0.524 -2.503) 7.732 10.017 ( 10.038 -3.513 -0.170) 10.637 10.080 ( 4.184 -4.821 -2.430) 6.830 10.130 ( 7.006 -0.752 -0.209) 7.049 10.282 ( 9.018 5.621 -0.313) 10.631 10.320 ( 3.608 3.353 -1.794) 5.243 10.509 ( 0.882 -4.610 3.177) 5.668 10.586 ( 9.349 -2.841 1.387) 9.869 10.756 ( 5.548 0.787 3.378) 6.543 10.856 ( 6.692 -0.505 0.545) 6.733 11.216 ( 4.790 2.269 -3.991) 6.635 11.366 ( 3.427 -1.341 0.234) 3.687 11.500 ( 10.724 0.393 4.342) 11.576 11.618 ( 10.216 -4.135 -4.447) 11.885 12.191 ( 11.854 1.871 -3.462) 12.490 12.268 ( 17.370 -2.083 1.330) 17.545 12.651 ( -4.400 4.050 3.732) 7.049 12.787 ( 1.579 -0.397 3.081) 3.484 12.937 ( 1.960 5.458 -4.597) 7.400 13.012 ( 0.683 4.550 2.958) 5.470 13.159 ( 0.304 0.291 0.079) 0.429 13.275 ( 2.058 -4.878 -0.920) 5.374 13.417 ( 1.306 -4.192 -10.947) 11.795 13.540 ( -0.651 -4.109 -8.831) 9.762 13.831 ( -8.342 2.418 4.359) 9.718 13.898 ( -8.578 0.363 2.570) 8.962 14.059 ( 4.299 4.120 1.564) 6.156 14.245 ( 2.115 -3.431 -1.370) 4.257 15.423 ( -8.640 -1.238 6.685) 10.995 15.466 ( -11.045 -2.837 1.558) 11.510 15.691 ( -9.651 4.817 0.109) 10.787 15.802 ( -10.536 -0.816 -0.875) 10.603 17.398 ( 1.122 0.170 -1.117) 1.592 17.406 ( 1.860 -0.128 0.042) 1.865 17.498 ( 1.911 -0.027 0.279) 1.932 17.500 ( 1.935 -0.029 0.421) 1.980 18.414 ( -0.876 0.695 1.195) 1.637 18.428 ( -0.564 0.189 -1.437) 1.555 18.460 ( -0.059 -0.207 -1.114) 1.135 18.468 ( -0.650 -0.486 1.442) 1.655 18.628 ( 0.317 0.038 -0.409) 0.519 18.639 ( 0.378 0.004 -0.835) 0.916 18.691 ( -0.270 0.815 -0.033) 0.859 18.746 ( -1.057 -1.204 0.366) 1.644 18.833 ( 0.795 0.782 -0.044) 1.116 18.860 ( 0.700 -0.316 0.488) 0.910 19.067 ( 0.312 0.376 -0.674) 0.832 19.086 ( 1.129 -0.370 0.495) 1.287 34.991 ( 0.429 0.002 -0.277) 0.511 34.996 ( 0.190 -0.166 -0.050) 0.257 35.011 ( 0.011 0.430 -0.492) 0.653 35.031 ( -0.884 -0.354 1.223) 1.550 35.212 ( -0.385 0.223 0.540) 0.699 35.224 ( -0.632 -0.237 0.451) 0.812 35.231 ( -1.076 -0.009 -0.568) 1.217 35.231 ( -0.915 -0.045 -0.432) 1.013 51.441 ( -1.027 1.427 1.954) 2.628 51.492 ( -3.924 -0.436 0.265) 3.957 51.721 ( -3.805 -0.684 2.407) 4.554 51.780 ( -2.585 -4.150 2.304) 5.405 52.058 ( -9.716 5.299 2.448) 11.334 52.141 ( -10.269 2.215 -1.779) 10.655 52.308 ( -12.398 -1.157 5.957) 13.803 52.410 ( -16.361 -3.574 -8.866) 18.949 ======================= Grid point 94 (43/90) ======================= q-point: ( 0.29 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 15.857 2.165 -1.169) 16.047 2.111 ( 15.583 3.533 1.280) 16.030 2.165 ( 15.762 0.350 -1.586) 15.845 2.199 ( 14.957 2.006 1.561) 15.171 2.362 ( 12.686 -3.619 2.449) 13.418 2.409 ( 11.810 -3.704 7.259) 14.349 2.449 ( 9.521 -3.650 -5.818) 11.740 2.571 ( 9.392 -8.028 -0.999) 12.396 2.668 ( 6.491 1.719 -1.209) 6.822 2.700 ( 8.938 -0.038 1.566) 9.074 2.741 ( 8.919 4.913 -1.451) 10.286 2.826 ( 7.806 1.306 1.075) 7.988 2.881 ( 6.480 -1.184 -0.375) 6.597 2.984 ( 5.076 0.257 -1.275) 5.240 3.001 ( 5.347 3.305 0.903) 6.350 3.067 ( 3.492 -0.755 2.368) 4.286 3.117 ( 7.826 2.534 -2.186) 8.512 3.133 ( 1.453 2.028 1.054) 2.709 3.147 ( 7.398 -0.222 -4.350) 8.585 3.217 ( 4.001 -2.919 1.485) 5.171 3.265 ( 3.463 -1.365 -0.951) 3.842 3.309 ( 4.328 4.557 2.467) 6.752 3.353 ( 3.810 -3.464 -0.632) 5.188 3.429 ( 8.591 -0.795 0.401) 8.637 3.447 ( 3.559 -1.137 1.654) 4.086 3.518 ( 5.439 -2.888 -1.573) 6.356 3.550 ( 6.025 2.778 -0.376) 6.646 3.570 ( 2.028 -1.042 0.312) 2.301 3.629 ( 5.333 -0.528 1.090) 5.469 3.651 ( 4.507 1.929 -1.012) 5.006 3.739 ( 4.730 1.120 -1.450) 5.073 3.822 ( -0.157 -0.925 0.882) 1.288 3.891 ( 1.921 0.284 2.769) 3.382 3.955 ( -3.242 -1.420 2.939) 4.600 4.062 ( 2.156 -0.539 1.450) 2.654 4.104 ( 11.341 0.956 -1.011) 11.426 4.201 ( 3.897 -1.335 -1.081) 4.259 4.250 ( 8.290 2.916 -8.784) 12.425 4.314 ( 7.979 -1.153 1.207) 8.152 4.346 ( 0.627 2.101 0.014) 2.193 4.417 ( -0.235 3.086 -0.331) 3.112 4.579 ( 5.981 -1.562 5.610) 8.347 4.705 ( -3.764 -1.178 0.939) 4.054 4.719 ( -5.396 -1.958 -1.493) 5.931 4.790 ( 3.910 0.248 -1.731) 4.283 4.799 ( -2.102 0.393 -1.490) 2.607 4.951 ( 5.297 0.223 0.141) 5.304 4.969 ( 7.298 0.240 -0.161) 7.304 7.143 ( 5.977 2.217 -2.324) 6.786 7.197 ( 4.414 3.795 -0.901) 5.891 7.337 ( 4.568 -2.524 4.819) 7.103 7.465 ( 5.288 -1.816 -0.903) 5.664 7.490 ( 9.503 0.120 -0.158) 9.505 7.618 ( 3.721 -0.477 0.583) 3.797 8.143 ( 0.897 1.412 1.160) 2.036 8.178 ( 4.306 0.583 2.037) 4.799 8.235 ( 2.641 1.118 4.766) 5.562 8.357 ( 6.408 -3.869 -4.226) 8.596 8.552 ( 10.274 1.294 -4.252) 11.195 8.589 ( 4.331 0.185 -0.009) 4.335 8.814 ( 5.649 1.626 0.218) 5.883 8.883 ( 4.387 -1.101 -1.728) 4.842 9.204 ( 4.992 1.607 -1.914) 5.583 9.281 ( 2.504 1.606 -2.139) 3.664 9.525 ( 13.025 2.535 -0.778) 13.293 9.659 ( 5.689 -0.038 3.955) 6.929 9.784 ( 5.488 -1.789 1.252) 5.906 9.897 ( 3.713 0.766 1.657) 4.138 10.110 ( 0.661 -2.666 -1.316) 3.046 10.158 ( 9.051 -0.716 -2.128) 9.325 10.198 ( 8.037 -4.685 0.340) 9.309 10.279 ( 6.700 -1.717 1.698) 7.121 10.352 ( 2.094 3.084 -0.145) 3.730 10.486 ( 7.262 -1.588 -1.783) 7.645 10.496 ( 0.924 0.770 2.058) 2.384 10.717 ( 3.029 -4.312 -0.493) 5.292 10.862 ( 5.638 2.790 0.178) 6.293 10.980 ( 5.736 5.033 6.429) 9.978 11.292 ( 4.167 -2.847 -5.335) 7.344 11.430 ( 3.421 -0.908 2.610) 4.398 11.691 ( 4.735 -1.761 -0.787) 5.113 11.705 ( 0.002 -2.579 -2.449) 3.557 12.172 ( -10.949 1.774 1.564) 11.202 12.208 ( -15.696 0.221 -0.879) 15.722 12.804 ( 11.183 3.798 1.788) 11.945 12.880 ( 5.641 4.084 -0.970) 7.032 13.011 ( 5.121 2.106 -0.631) 5.574 13.107 ( 7.591 5.846 0.491) 9.594 13.232 ( -1.040 -5.186 3.537) 6.362 13.347 ( 9.967 0.268 0.406) 9.978 13.434 ( 3.587 -4.342 -5.252) 7.701 13.591 ( 7.594 -7.359 -7.098) 12.736 13.743 ( -0.813 1.917 2.974) 3.630 13.779 ( -1.303 1.247 -0.812) 1.978 14.168 ( 5.401 2.405 3.110) 6.680 14.287 ( 2.448 -2.281 -1.445) 3.644 15.305 ( -5.281 -0.595 -0.094) 5.316 15.313 ( -4.009 -0.586 2.102) 4.564 15.536 ( -6.030 2.866 0.626) 6.705 15.617 ( -7.795 -0.741 0.079) 7.830 17.419 ( 1.324 0.475 -0.950) 1.697 17.445 ( 2.092 -0.565 0.133) 2.171 17.534 ( 1.751 0.145 0.105) 1.760 17.538 ( 1.543 -0.020 0.377) 1.588 18.402 ( -0.638 0.591 1.151) 1.442 18.417 ( -0.157 0.116 -1.221) 1.237 18.457 ( -0.035 -0.288 -0.620) 0.684 18.459 ( -0.570 -0.275 0.684) 0.932 18.632 ( 0.386 0.021 -1.089) 1.156 18.648 ( 0.403 -0.527 -0.161) 0.682 18.681 ( -0.681 0.828 0.325) 1.120 18.720 ( -1.618 -0.710 0.612) 1.870 18.847 ( 0.717 0.751 -0.067) 1.040 18.877 ( 0.852 -0.456 0.343) 1.026 19.071 ( 0.259 0.803 -0.266) 0.885 19.108 ( 0.987 -0.662 0.259) 1.216 34.994 ( 0.014 -0.008 -1.224) 1.224 34.996 ( -0.244 -0.121 0.440) 0.517 35.010 ( 0.070 0.178 -0.396) 0.440 35.016 ( -0.991 -0.072 1.314) 1.647 35.199 ( -1.180 0.145 0.110) 1.194 35.205 ( -1.026 -0.079 0.034) 1.030 35.216 ( -0.400 0.011 -0.472) 0.618 35.219 ( -0.323 -0.104 0.544) 0.641 51.415 ( -3.750 0.216 1.490) 4.041 51.425 ( -1.214 -0.098 1.558) 1.978 51.647 ( -4.208 0.906 2.723) 5.093 51.731 ( -3.237 -2.923 2.101) 4.841 51.887 ( -7.636 3.189 -0.957) 8.330 51.945 ( -8.913 0.537 -2.651) 9.314 52.079 ( -11.999 -0.760 2.911) 12.370 52.096 ( -12.918 -1.341 -6.166) 14.377 ======================= Grid point 95 (44/90) ======================= q-point: ( 0.36 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 12.596 1.983 -0.804) 12.777 2.379 ( 12.277 3.360 -3.094) 13.099 2.442 ( 12.091 -1.982 1.023) 12.295 2.517 ( 15.256 -0.043 2.008) 15.388 2.592 ( 8.877 -2.503 -0.810) 9.259 2.616 ( 9.941 -1.452 -0.362) 10.053 2.657 ( 11.049 -1.666 4.595) 12.082 2.723 ( 6.893 -4.803 -0.340) 8.408 2.789 ( 5.980 2.238 -0.817) 6.437 2.828 ( 4.460 0.700 -0.621) 4.557 2.905 ( 6.822 3.054 3.309) 8.174 2.949 ( 0.977 -1.306 -1.387) 2.141 2.961 ( 5.458 -1.527 -1.498) 5.862 3.041 ( 1.952 2.270 0.924) 3.134 3.085 ( -0.611 2.019 2.229) 3.069 3.133 ( 3.652 -4.129 0.037) 5.512 3.139 ( 1.931 5.066 -0.385) 5.435 3.220 ( 2.232 -0.094 -1.258) 2.563 3.264 ( 3.627 0.831 -0.062) 3.721 3.281 ( 4.117 -0.495 1.089) 4.288 3.333 ( 3.066 3.248 -0.860) 4.549 3.370 ( 0.635 -1.226 -1.796) 2.266 3.386 ( 1.206 -2.837 0.408) 3.110 3.472 ( 0.686 -1.451 1.548) 2.230 3.572 ( 2.438 -0.945 1.802) 3.175 3.577 ( 1.424 0.134 2.011) 2.467 3.582 ( 0.955 0.518 -0.961) 1.450 3.661 ( 0.734 -1.477 -1.743) 2.399 3.690 ( 2.847 1.823 -3.954) 5.203 3.736 ( 6.339 0.400 -4.462) 7.762 3.750 ( -2.622 -0.228 -0.081) 2.633 3.793 ( -3.460 -1.191 1.553) 3.975 3.872 ( 1.337 1.652 2.408) 3.211 3.960 ( 0.718 -1.396 1.128) 1.933 4.052 ( -4.475 -1.093 4.101) 6.168 4.193 ( -2.175 -4.277 0.151) 4.801 4.275 ( 4.708 1.728 -0.746) 5.070 4.313 ( -0.070 1.006 -1.306) 1.650 4.440 ( 2.291 4.229 0.982) 4.909 4.486 ( 12.077 1.769 -6.537) 13.846 4.501 ( -0.615 1.534 0.153) 1.659 4.536 ( 2.813 2.354 0.898) 3.777 4.633 ( -1.993 -2.888 -0.451) 3.538 4.791 ( 9.259 -3.127 5.173) 11.058 4.827 ( 4.616 1.769 1.018) 5.047 4.933 ( 7.467 -2.674 -0.382) 7.940 5.069 ( 7.648 2.283 -1.841) 8.191 5.167 ( 10.058 -1.134 -1.864) 10.292 7.262 ( 6.895 2.211 -3.396) 7.997 7.287 ( 5.018 3.743 -2.558) 6.763 7.433 ( 3.662 -2.125 2.711) 5.027 7.539 ( 2.229 -0.198 0.779) 2.369 7.663 ( 7.382 -1.103 1.856) 7.691 7.705 ( 4.545 -0.719 1.362) 4.799 8.135 ( -0.587 1.912 -1.450) 2.471 8.229 ( 0.643 -1.403 2.105) 2.611 8.306 ( 3.179 2.812 4.492) 6.180 8.465 ( 4.592 -4.426 1.611) 6.578 8.663 ( 3.913 2.039 -0.573) 4.449 8.721 ( 6.791 -0.703 -4.686) 8.280 8.941 ( 6.507 1.272 1.160) 6.731 8.979 ( 5.694 0.073 -1.382) 5.860 9.272 ( 2.438 0.090 -2.698) 3.637 9.300 ( -0.162 -0.345 -1.568) 1.614 9.729 ( 6.266 1.691 -0.555) 6.514 9.769 ( 6.556 3.978 2.446) 8.049 9.887 ( 4.230 -4.166 -0.620) 5.969 9.976 ( 4.722 -1.580 1.985) 5.361 10.107 ( -0.445 -1.347 -0.636) 1.555 10.259 ( 0.257 -2.610 2.279) 3.475 10.336 ( 5.397 2.259 -0.411) 5.865 10.370 ( 2.452 1.337 -0.406) 2.822 10.436 ( 4.955 -2.062 5.464) 7.659 10.497 ( 3.397 -4.482 -2.054) 5.987 10.649 ( 6.592 0.344 -3.805) 7.619 10.745 ( 2.309 -2.884 -1.160) 3.872 11.000 ( 7.488 5.166 2.514) 9.438 11.104 ( 4.699 8.449 4.107) 10.504 11.351 ( 3.731 -6.062 -4.540) 8.443 11.496 ( 1.711 -2.880 2.182) 3.998 11.612 ( -7.346 -1.876 -1.583) 7.745 11.663 ( -7.674 -2.638 -1.092) 8.188 11.870 ( -14.197 4.003 -1.658) 14.844 11.953 ( -11.364 1.450 2.557) 11.738 12.921 ( 2.581 4.747 -0.413) 5.419 12.956 ( 1.907 3.974 0.305) 4.418 13.084 ( 1.518 -1.996 -2.232) 3.357 13.182 ( -2.863 -2.591 4.961) 6.286 13.265 ( 7.636 1.691 -2.948) 8.359 13.466 ( 3.703 0.596 -3.046) 4.832 13.546 ( 4.386 -2.628 -0.709) 5.162 13.667 ( -0.299 -0.985 3.296) 3.453 13.829 ( 11.276 0.815 2.604) 11.601 13.953 ( 14.556 -3.471 -6.705) 16.397 14.268 ( 3.398 0.618 2.653) 4.355 14.322 ( 1.212 -1.392 -1.120) 2.159 15.260 ( 0.547 0.839 -0.337) 1.056 15.281 ( 0.431 0.640 0.122) 0.782 15.459 ( -2.231 0.962 1.008) 2.630 15.505 ( -3.663 -0.658 0.490) 3.754 17.442 ( 1.243 0.793 -0.436) 1.537 17.485 ( 1.837 -0.899 0.180) 2.053 17.561 ( 0.794 0.148 0.009) 0.808 17.566 ( 1.385 0.006 -0.035) 1.386 18.396 ( -0.410 0.509 1.279) 1.436 18.414 ( 0.141 -0.144 -0.809) 0.833 18.448 ( -0.550 0.054 0.465) 0.722 18.457 ( 0.173 -0.280 -0.967) 1.021 18.636 ( 0.223 -0.063 -0.747) 0.782 18.649 ( -0.073 -0.536 -0.901) 1.051 18.671 ( -0.487 0.576 0.839) 1.128 18.692 ( -1.328 -0.302 0.896) 1.630 18.861 ( 0.689 0.663 -0.019) 0.957 18.893 ( 0.729 -0.571 -0.248) 0.958 19.077 ( 0.349 1.064 0.401) 1.189 19.126 ( 0.730 -0.846 -0.019) 1.118 34.986 ( -0.831 -0.067 0.362) 0.909 34.987 ( -0.569 -0.089 -0.154) 0.596 35.001 ( -0.742 0.296 0.492) 0.938 35.011 ( 0.207 -0.150 -0.818) 0.857 35.176 ( -0.899 0.227 0.034) 0.928 35.189 ( -0.663 -0.270 0.261) 0.762 35.209 ( -0.145 0.180 -0.383) 0.448 35.217 ( -0.048 -0.139 0.387) 0.414 51.362 ( -2.005 0.760 2.316) 3.156 51.410 ( -0.662 -1.228 0.967) 1.697 51.577 ( -3.784 1.685 2.759) 4.977 51.664 ( -4.213 -2.237 1.249) 4.930 51.751 ( -6.000 1.715 -1.505) 6.419 51.784 ( -6.256 0.125 -3.862) 7.353 51.869 ( -8.788 -0.365 -2.625) 9.179 51.876 ( -8.578 -0.525 0.733) 8.626 ======================= Grid point 96 (45/90) ======================= q-point: ( 0.43 0.25 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 8.914 1.101 0.294) 8.987 2.573 ( 7.836 2.218 -1.625) 8.305 2.630 ( 7.316 -1.942 -0.641) 7.596 2.706 ( 5.084 -2.364 -2.611) 6.185 2.781 ( 8.639 0.601 1.134) 8.734 2.804 ( 6.516 0.158 0.477) 6.536 2.841 ( 5.761 -0.017 0.922) 5.834 2.858 ( 6.828 -0.436 0.645) 6.872 2.882 ( 2.168 0.793 0.361) 2.336 2.903 ( 4.860 -1.688 2.162) 5.581 2.931 ( 0.082 1.590 -2.118) 2.649 2.986 ( -0.860 -0.989 1.321) 1.861 3.024 ( 0.937 0.820 0.650) 1.405 3.063 ( 0.525 -0.864 1.402) 1.728 3.103 ( 3.637 -0.034 1.273) 3.853 3.134 ( -0.142 -1.193 -0.698) 1.390 3.195 ( -0.457 -1.263 -0.328) 1.383 3.244 ( 0.014 -0.582 1.255) 1.384 3.289 ( 0.969 1.166 0.078) 1.518 3.320 ( -1.551 0.407 -1.635) 2.290 3.347 ( -0.873 -0.040 0.521) 1.018 3.382 ( 1.049 0.513 -2.483) 2.744 3.407 ( 0.696 0.472 1.630) 1.835 3.495 ( 0.878 -0.975 1.021) 1.662 3.527 ( -4.214 1.730 -1.906) 4.938 3.584 ( 0.540 0.947 -0.557) 1.225 3.627 ( 0.814 0.405 5.105) 5.186 3.649 ( 1.004 -3.946 1.140) 4.229 3.687 ( -0.478 0.276 -2.663) 2.719 3.716 ( -2.604 -0.043 -1.312) 2.916 3.756 ( 0.923 1.364 -2.123) 2.687 3.848 ( 3.940 -0.437 -2.831) 4.871 3.909 ( 0.781 1.151 -0.206) 1.406 3.959 ( -3.408 1.223 2.782) 4.566 3.986 ( 1.233 -0.871 1.523) 2.144 4.111 ( -4.933 -3.081 0.052) 5.817 4.309 ( -1.131 3.921 -0.922) 4.184 4.347 ( 2.443 0.922 0.764) 2.721 4.378 ( -1.526 2.534 -2.397) 3.807 4.481 ( -0.512 3.022 0.904) 3.195 4.595 ( 0.675 -1.930 0.131) 2.049 4.674 ( 6.174 -1.703 -0.361) 6.415 4.725 ( 7.853 -0.490 -2.986) 8.416 4.896 ( 1.634 -2.782 2.547) 4.111 4.996 ( 8.111 -0.125 4.499) 9.276 5.051 ( 4.134 -2.323 1.448) 4.958 5.206 ( 6.034 3.939 -2.914) 7.773 5.317 ( 5.468 -1.033 -2.984) 6.314 7.365 ( 3.531 1.419 -5.261) 6.493 7.378 ( 5.084 1.190 -4.404) 6.830 7.473 ( 0.490 0.617 1.446) 1.647 7.579 ( 1.539 -0.044 3.481) 3.806 7.774 ( 2.623 -0.701 3.496) 4.426 7.783 ( 2.653 -0.406 1.455) 3.053 8.150 ( 2.874 0.522 -1.408) 3.243 8.228 ( -0.851 -2.161 2.087) 3.122 8.390 ( 4.171 3.207 3.973) 6.593 8.542 ( 2.297 -3.461 3.292) 5.300 8.720 ( 2.065 2.253 -2.027) 3.667 8.780 ( 0.315 -0.471 -3.122) 3.173 9.056 ( 4.355 -0.405 1.788) 4.725 9.081 ( 4.347 -0.248 -1.156) 4.505 9.253 ( -2.749 -0.472 0.305) 2.806 9.304 ( 0.832 -1.455 -1.607) 2.321 9.825 ( 2.038 2.213 -0.201) 3.015 9.851 ( 3.518 1.639 -1.022) 4.014 9.971 ( 4.575 -3.455 -3.803) 6.880 10.068 ( 1.040 -5.198 1.226) 5.441 10.113 ( 2.787 2.128 2.104) 4.089 10.244 ( -1.483 -1.138 2.807) 3.372 10.359 ( -0.138 3.931 0.972) 4.052 10.427 ( 1.572 2.094 -1.966) 3.275 10.499 ( 0.756 -2.783 6.286) 6.916 10.611 ( 6.149 0.328 -0.521) 6.180 10.733 ( 4.079 -2.872 -1.830) 5.314 10.825 ( 5.338 -3.245 -4.454) 7.672 11.149 ( 5.280 8.352 3.047) 10.340 11.169 ( 1.371 5.309 1.636) 5.722 11.400 ( -10.736 -2.192 -0.608) 10.974 11.425 ( 3.748 -5.780 -1.315) 7.014 11.470 ( -6.444 -0.802 -1.756) 6.727 11.524 ( -1.901 -1.979 1.942) 3.362 11.668 ( -6.584 4.151 -0.519) 7.801 11.779 ( -6.812 -0.870 -0.681) 6.901 12.954 ( 0.969 4.167 0.107) 4.280 12.972 ( 0.428 4.588 -0.045) 4.608 13.091 ( 0.763 -1.397 -1.431) 2.141 13.137 ( -2.939 -0.640 2.247) 3.755 13.391 ( 5.379 -0.223 -1.524) 5.595 13.500 ( 1.017 -2.521 -1.685) 3.198 13.606 ( 1.751 0.402 0.387) 1.838 13.658 ( -0.734 0.272 0.897) 1.191 14.057 ( 9.508 0.044 0.952) 9.556 14.180 ( 9.229 -3.649 -3.488) 10.519 14.303 ( -0.637 -0.843 1.725) 2.023 14.320 ( -0.914 -1.551 -1.422) 2.294 15.301 ( 2.735 1.234 0.196) 3.007 15.320 ( 2.992 0.915 -0.394) 3.153 15.437 ( -0.891 0.423 0.907) 1.340 15.467 ( -0.800 -0.418 0.184) 0.921 17.464 ( 0.953 0.930 0.241) 1.353 17.514 ( 0.947 -1.039 -0.076) 1.408 17.571 ( 0.289 0.348 -0.127) 0.470 17.586 ( 0.694 -0.228 -0.248) 0.771 18.393 ( -0.302 0.422 1.347) 1.443 18.415 ( 0.069 -0.546 0.012) 0.550 18.442 ( -0.070 0.507 -0.371) 0.632 18.457 ( 0.143 -0.219 -1.018) 1.051 18.635 ( -0.079 -0.193 -0.406) 0.456 18.644 ( -0.182 -0.478 -0.700) 0.867 18.664 ( -0.284 0.541 0.510) 0.796 18.678 ( -0.543 -0.140 0.855) 1.022 18.873 ( 0.478 0.589 0.053) 0.760 18.903 ( 0.415 -0.511 -0.797) 1.033 19.086 ( 0.329 1.038 1.060) 1.519 19.136 ( 0.334 -0.888 -0.268) 0.986 34.966 ( -1.213 0.057 0.921) 1.524 34.974 ( -0.756 -0.298 0.719) 1.085 34.993 ( 0.091 0.528 -1.013) 1.146 35.012 ( 0.202 -0.291 -0.938) 1.003 35.166 ( -0.261 0.280 0.340) 0.512 35.181 ( -0.179 -0.369 0.458) 0.615 35.206 ( -0.060 0.280 -0.495) 0.572 35.217 ( -0.021 -0.190 0.065) 0.202 51.355 ( 0.534 0.874 2.674) 2.864 51.410 ( 0.409 -1.409 0.759) 1.652 51.513 ( -3.738 1.234 2.678) 4.761 51.568 ( -5.136 -1.278 0.723) 5.342 51.651 ( -3.016 1.131 -2.363) 3.995 51.680 ( -3.274 -0.143 -3.349) 4.686 51.737 ( -4.101 0.245 -0.500) 4.139 51.763 ( -3.220 -0.672 -0.725) 3.368 ======================= Grid point 98 (46/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -0.177 1.195 0.335) 1.253 2.658 ( 0.587 0.540 -0.741) 1.089 2.732 ( 2.275 -0.004 -0.962) 2.470 2.776 ( -1.035 0.240 -1.843) 2.128 2.799 ( -2.714 -0.389 -0.446) 2.778 2.835 ( -0.664 0.508 -1.468) 1.690 2.870 ( -2.302 -0.976 0.744) 2.608 2.883 ( 0.643 -0.362 -0.334) 0.810 2.945 ( 0.138 -0.783 2.035) 2.185 2.972 ( 1.237 -0.646 0.073) 1.398 2.984 ( 3.020 0.337 1.207) 3.269 2.996 ( -1.798 0.479 3.359) 3.840 3.036 ( -0.445 -0.350 -0.437) 0.715 3.086 ( -0.666 -2.232 -0.696) 2.431 3.117 ( -0.314 -0.744 -0.585) 0.998 3.157 ( 1.821 -0.036 1.359) 2.273 3.179 ( -0.714 0.125 1.784) 1.926 3.215 ( -0.445 -2.037 0.260) 2.101 3.270 ( -1.391 0.786 -1.977) 2.542 3.328 ( 0.832 0.057 1.346) 1.583 3.352 ( -2.427 -0.964 0.901) 2.763 3.356 ( 1.900 -0.686 -1.162) 2.331 3.409 ( 0.015 1.234 -1.067) 1.631 3.452 ( 0.953 1.785 -2.048) 2.879 3.553 ( 0.799 -0.025 1.485) 1.687 3.589 ( 0.826 -0.033 -0.361) 0.902 3.633 ( -1.768 1.930 2.342) 3.512 3.647 ( -2.274 -2.175 3.224) 4.505 3.683 ( -0.629 0.261 -2.049) 2.159 3.702 ( 2.291 0.115 -1.149) 2.566 3.778 ( 3.208 1.900 -2.385) 4.426 3.872 ( -0.124 -0.086 -1.131) 1.141 3.906 ( -1.054 -4.056 -0.661) 4.243 3.938 ( -0.696 1.406 2.445) 2.904 3.969 ( -0.308 0.862 0.456) 1.023 4.115 ( 4.446 0.632 -2.877) 5.333 4.258 ( -3.350 5.835 2.128) 7.057 4.365 ( 0.553 1.405 -2.215) 2.681 4.399 ( 1.375 -0.566 1.272) 1.957 4.460 ( -1.129 0.212 -0.631) 1.311 4.604 ( -0.501 0.607 1.448) 1.648 4.738 ( 1.153 1.260 -3.687) 4.064 4.799 ( -1.854 -4.742 2.105) 5.509 4.891 ( -1.002 -2.467 -0.875) 2.803 5.093 ( -0.464 -1.054 3.222) 3.422 5.120 ( 2.260 -1.286 5.350) 5.948 5.262 ( 0.337 3.795 -3.351) 5.074 5.353 ( -0.695 -0.707 -4.208) 4.323 7.327 ( -5.012 1.140 -2.912) 5.908 7.417 ( 0.606 -2.355 -6.611) 7.044 7.542 ( 4.435 2.588 3.689) 6.323 7.610 ( 1.227 1.067 -0.418) 1.679 7.788 ( -1.710 -0.029 2.971) 3.428 7.811 ( -0.929 -0.569 2.670) 2.883 8.203 ( 0.958 -0.990 0.745) 1.566 8.243 ( 2.956 -0.958 0.621) 3.169 8.487 ( 3.986 1.744 3.944) 5.872 8.560 ( -2.241 -1.025 5.645) 6.159 8.727 ( -3.150 0.924 -4.740) 5.766 8.735 ( -0.170 0.600 -2.553) 2.628 9.089 ( -2.220 -0.334 -0.244) 2.258 9.121 ( 0.353 -1.860 -0.342) 1.924 9.236 ( 0.738 0.435 2.905) 3.028 9.315 ( 0.964 -2.073 -0.842) 2.436 9.794 ( -3.103 1.644 1.967) 4.025 9.942 ( 4.595 -1.778 -6.533) 8.183 10.005 ( -0.344 -1.904 -2.605) 3.245 10.045 ( -1.181 -3.284 -2.488) 4.286 10.173 ( 0.264 -0.042 5.013) 5.020 10.238 ( -0.087 1.207 2.952) 3.190 10.364 ( -0.687 5.901 1.863) 6.226 10.427 ( 0.051 0.779 -1.446) 1.643 10.517 ( -1.025 -1.264 6.160) 6.372 10.695 ( 2.340 1.484 0.730) 2.866 10.771 ( -2.792 -5.744 -1.298) 6.518 10.889 ( 2.955 -1.882 -6.952) 7.785 11.156 ( -1.169 3.190 3.322) 4.752 11.208 ( -1.832 6.404 0.837) 6.714 11.257 ( 0.212 -1.932 1.202) 2.285 11.403 ( 0.413 -0.129 -4.301) 4.322 11.506 ( 0.628 -0.551 3.377) 3.479 11.537 ( 5.042 0.464 0.348) 5.075 11.568 ( -3.237 0.724 0.709) 3.392 11.690 ( -1.317 -2.586 -3.408) 4.476 12.959 ( -0.147 4.712 0.495) 4.740 12.988 ( 1.051 3.194 -0.705) 3.436 13.082 ( -2.674 0.676 1.248) 3.027 13.118 ( 1.856 -0.629 -0.412) 2.002 13.454 ( 1.241 -1.030 -0.769) 1.787 13.502 ( -0.323 -1.654 -1.057) 1.990 13.613 ( -1.202 0.417 0.665) 1.436 13.654 ( 0.508 -0.566 -0.675) 1.018 14.188 ( 2.348 1.047 1.692) 3.078 14.256 ( -2.125 -1.979 -1.496) 3.266 14.260 ( -2.821 -1.960 0.099) 3.436 14.318 ( 2.868 -3.502 -2.330) 5.091 15.335 ( -0.039 0.936 0.711) 1.176 15.362 ( 0.231 0.009 -0.544) 0.591 15.423 ( -0.405 1.118 1.071) 1.600 15.456 ( -0.487 0.037 -0.468) 0.676 17.480 ( 0.510 0.794 0.860) 1.277 17.518 ( -0.426 -0.576 -0.686) 0.992 17.575 ( 0.120 0.118 0.125) 0.210 17.590 ( -0.160 -0.360 -0.472) 0.615 18.391 ( -0.346 0.428 1.251) 1.366 18.415 ( -0.093 -0.641 0.548) 0.849 18.444 ( 0.406 0.481 -0.692) 0.936 18.456 ( 0.079 -0.108 -1.136) 1.144 18.634 ( 0.097 -0.197 -0.238) 0.323 18.639 ( 0.013 -0.245 -0.348) 0.426 18.666 ( -0.078 0.115 0.497) 0.516 18.671 ( -0.062 0.068 0.389) 0.399 18.879 ( 0.106 0.536 0.147) 0.566 18.904 ( -0.065 -0.341 -1.038) 1.095 19.095 ( 0.118 0.816 1.430) 1.650 19.137 ( -0.173 -0.782 -0.491) 0.939 34.949 ( -0.703 0.253 0.635) 0.981 34.965 ( -0.377 -0.403 0.924) 1.076 34.997 ( 0.652 0.413 -1.098) 1.342 35.014 ( 0.261 -0.267 -0.838) 0.917 35.166 ( 0.125 0.289 0.581) 0.661 35.183 ( 0.115 -0.417 0.559) 0.707 35.203 ( -0.058 0.340 -0.536) 0.637 35.216 ( -0.089 -0.209 -0.216) 0.314 51.377 ( -0.696 0.505 2.304) 2.459 51.412 ( -1.011 -1.109 1.986) 2.489 51.464 ( -0.050 1.484 1.523) 2.127 51.524 ( 0.795 -1.221 1.194) 1.884 51.623 ( 1.085 0.545 -3.093) 3.323 51.637 ( 0.154 -0.113 -3.281) 3.286 51.697 ( -0.213 0.551 0.258) 0.645 51.729 ( -0.198 -0.652 -0.988) 1.200 ======================= Grid point 99 (47/90) ======================= q-point: (-0.43 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -10.528 1.651 -0.254) 10.659 2.598 ( -10.409 -1.208 -0.329) 10.484 2.623 ( -4.934 1.256 -1.638) 5.348 2.706 ( -3.087 -1.022 -2.193) 3.922 2.763 ( -8.041 -1.155 0.991) 8.183 2.776 ( -4.991 0.371 0.737) 5.059 2.801 ( -8.644 0.636 1.008) 8.725 2.813 ( -5.626 -0.668 -0.315) 5.674 2.896 ( -3.570 0.841 1.520) 3.970 2.936 ( -5.306 -1.811 0.406) 5.622 2.970 ( -2.322 0.528 -0.359) 2.408 2.997 ( 0.388 0.625 -0.187) 0.759 3.026 ( 2.186 -0.802 2.874) 3.698 3.056 ( -1.148 0.332 -0.202) 1.212 3.108 ( -3.262 -0.417 1.141) 3.481 3.152 ( 0.413 -2.099 0.773) 2.274 3.209 ( 1.022 0.352 -0.922) 1.421 3.244 ( 1.535 -0.920 -0.810) 1.965 3.252 ( -0.926 -0.074 -0.005) 0.929 3.288 ( -1.968 -1.119 0.507) 2.320 3.313 ( -2.222 2.351 -0.480) 3.270 3.423 ( 2.275 0.946 -1.257) 2.766 3.444 ( 1.852 0.448 1.368) 2.346 3.474 ( -0.524 -1.122 -0.765) 1.456 3.551 ( -0.286 0.404 2.061) 2.119 3.583 ( -0.842 1.507 0.137) 1.732 3.586 ( 0.029 -1.093 -0.729) 1.314 3.646 ( -0.658 1.583 -1.342) 2.177 3.691 ( 0.462 -1.561 1.544) 2.243 3.747 ( 1.463 0.882 -1.860) 2.525 3.774 ( -0.242 -0.940 -0.660) 1.174 3.842 ( 0.160 0.938 -2.132) 2.335 3.922 ( -0.758 -0.615 2.348) 2.543 3.964 ( 0.401 1.077 -0.967) 1.502 4.020 ( 6.887 -3.182 0.440) 7.599 4.153 ( -2.336 -1.125 3.916) 4.697 4.241 ( 3.152 5.184 -2.773) 6.670 4.366 ( 0.735 1.666 -2.396) 3.009 4.416 ( -0.240 -0.352 1.136) 1.213 4.443 ( -0.293 -0.800 -0.374) 0.930 4.577 ( -2.658 0.977 1.587) 3.246 4.642 ( -11.835 0.340 -0.858) 11.871 4.715 ( -2.936 0.994 -3.782) 4.890 4.871 ( -2.221 -2.863 3.301) 4.902 5.046 ( -5.054 -0.793 3.224) 6.047 5.114 ( -4.726 -2.174 5.187) 7.346 5.193 ( -6.171 2.844 -3.573) 7.676 5.268 ( -6.153 -0.589 -5.290) 8.135 7.208 ( -5.744 2.654 -1.863) 6.596 7.359 ( -4.309 -2.740 -3.651) 6.277 7.601 ( 0.401 1.384 -1.899) 2.384 7.651 ( 3.090 1.248 -0.128) 3.335 7.730 ( -5.041 -0.303 3.730) 6.278 7.761 ( -5.071 -0.546 3.961) 6.458 8.212 ( 0.211 1.164 -1.089) 1.608 8.296 ( 1.010 -1.097 1.226) 1.931 8.488 ( -6.628 0.668 8.286) 10.632 8.536 ( -1.637 -1.994 3.309) 4.196 8.653 ( -1.107 2.918 -3.025) 4.346 8.728 ( 0.378 -0.774 -6.557) 6.614 9.011 ( -5.453 0.677 1.386) 5.667 9.079 ( -4.373 -1.948 -0.285) 4.796 9.261 ( 0.824 0.741 1.135) 1.587 9.335 ( 1.112 -1.847 -2.171) 3.060 9.742 ( -2.432 2.364 0.740) 3.472 9.938 ( -3.362 -4.950 -2.488) 6.481 9.982 ( 0.295 0.392 -5.239) 5.262 10.042 ( -0.409 -0.668 0.761) 1.092 10.148 ( -3.157 -1.283 2.695) 4.344 10.202 ( -5.704 -0.490 5.430) 7.891 10.341 ( -1.011 5.306 0.589) 5.434 10.436 ( 0.058 0.746 -1.489) 1.667 10.491 ( -3.309 -0.992 4.974) 6.055 10.628 ( -7.295 -4.470 -2.039) 8.796 10.723 ( 0.081 -0.400 0.099) 0.420 10.866 ( -4.210 -2.095 -5.076) 6.919 11.121 ( -5.763 5.246 3.110) 8.390 11.135 ( -3.549 4.114 1.874) 5.747 11.415 ( 9.855 -2.753 -0.887) 10.271 11.445 ( 4.766 -4.396 -0.397) 6.496 11.481 ( 2.061 2.727 -2.079) 4.000 11.568 ( 1.055 0.770 2.634) 2.940 11.685 ( 7.372 -0.099 -0.016) 7.373 11.715 ( 6.193 -0.598 -1.876) 6.499 12.956 ( -0.327 5.490 0.126) 5.501 13.000 ( 0.112 2.099 -0.138) 2.106 13.042 ( -1.418 0.770 -0.263) 1.635 13.158 ( 1.733 -0.939 1.101) 2.258 13.442 ( -1.555 -1.193 -2.545) 3.213 13.482 ( -1.383 -1.076 -1.130) 2.085 13.566 ( -3.932 0.989 1.241) 4.240 13.663 ( 0.046 -1.874 0.543) 1.952 14.080 ( -10.871 1.367 1.519) 11.061 14.169 ( -5.556 -2.499 -3.905) 7.236 14.265 ( 0.302 -0.380 0.297) 0.569 14.350 ( 0.389 -3.425 -0.134) 3.449 15.301 ( -2.858 0.795 0.297) 2.981 15.316 ( -3.804 0.214 -0.593) 3.856 15.433 ( 0.720 0.824 1.332) 1.724 15.452 ( 0.407 0.165 -0.140) 0.461 17.487 ( -0.142 0.389 1.171) 1.242 17.497 ( -1.344 0.066 -1.025) 1.692 17.573 ( -0.450 -0.155 0.190) 0.512 17.578 ( -0.884 -0.309 -0.545) 1.083 18.387 ( -0.365 0.583 0.909) 1.140 18.416 ( -0.023 -0.569 0.522) 0.772 18.450 ( 0.207 0.187 -0.322) 0.426 18.456 ( 0.398 -0.080 -1.136) 1.206 18.637 ( 0.422 -0.162 -0.532) 0.699 18.641 ( -0.059 -0.409 -0.538) 0.679 18.662 ( 0.087 0.559 0.610) 0.832 18.681 ( 0.636 -0.288 0.721) 1.004 18.878 ( -0.256 0.464 0.280) 0.599 18.894 ( -0.575 -0.136 -0.987) 1.151 19.099 ( -0.139 0.506 1.448) 1.540 19.126 ( -0.677 -0.540 -0.695) 1.111 34.944 ( 0.009 0.384 0.203) 0.434 34.965 ( 0.084 -0.455 0.703) 0.841 35.011 ( 0.940 0.173 -0.772) 1.228 35.018 ( 0.399 -0.113 -0.441) 0.606 35.173 ( 0.319 0.246 0.627) 0.745 35.187 ( 0.172 -0.397 0.114) 0.447 35.203 ( 0.138 0.339 -0.032) 0.368 35.214 ( 0.003 -0.177 -0.346) 0.389 51.351 ( -1.014 0.726 2.657) 2.935 51.403 ( -0.477 -1.607 0.861) 1.885 51.504 ( 2.490 1.949 2.064) 3.776 51.580 ( 3.328 -1.520 0.784) 3.741 51.653 ( 3.177 1.205 -2.275) 4.089 51.695 ( 5.381 -0.596 -2.946) 6.164 51.735 ( 5.267 0.178 -0.189) 5.273 51.750 ( 2.880 -0.352 -1.058) 3.088 ======================= Grid point 100 (48/90) ======================= q-point: (-0.36 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -15.025 1.791 -0.972) 15.163 2.347 ( -14.050 -0.261 0.087) 14.053 2.475 ( -13.570 -1.843 -2.762) 13.971 2.535 ( -13.687 -2.275 0.280) 13.878 2.548 ( -7.843 1.880 2.306) 8.388 2.612 ( -9.280 -0.521 2.508) 9.627 2.681 ( -5.967 -0.848 -0.273) 6.033 2.726 ( -5.064 -1.904 -0.082) 5.411 2.790 ( -6.825 0.033 -0.294) 6.832 2.812 ( -7.009 -0.248 0.359) 7.022 2.889 ( -6.151 4.224 1.014) 7.530 2.950 ( -5.593 1.620 -0.405) 5.837 3.019 ( -3.375 -1.572 -0.727) 3.793 3.054 ( 0.063 2.639 1.459) 3.016 3.093 ( 0.228 -2.385 2.163) 3.228 3.141 ( -5.187 1.879 1.595) 5.743 3.167 ( -2.703 -0.985 -1.923) 3.460 3.185 ( -2.857 -1.611 -0.991) 3.426 3.240 ( -4.365 1.092 -1.916) 4.890 3.274 ( -0.434 -1.094 0.613) 1.327 3.282 ( -0.588 -0.045 0.698) 0.914 3.417 ( -0.985 0.557 -2.715) 2.942 3.434 ( -2.636 -0.504 2.232) 3.491 3.455 ( -1.258 -1.860 0.357) 2.274 3.517 ( -4.284 1.049 2.953) 5.308 3.565 ( -0.991 -0.553 -0.590) 1.279 3.602 ( -1.022 2.775 -1.651) 3.387 3.643 ( 1.168 0.301 -1.341) 1.804 3.669 ( -2.037 -0.180 -1.853) 2.759 3.761 ( 0.044 0.870 -0.940) 1.282 3.793 ( -1.381 -1.881 -0.121) 2.336 3.841 ( 1.308 -2.104 -3.713) 4.463 3.916 ( -1.319 1.410 4.487) 4.885 3.961 ( 0.651 1.678 -0.404) 1.845 4.070 ( -7.377 -1.417 8.318) 11.208 4.148 ( 3.040 -6.618 -1.619) 7.460 4.312 ( 1.788 3.729 -3.156) 5.202 4.345 ( -8.368 1.806 1.513) 8.693 4.375 ( -2.562 0.077 -2.660) 3.694 4.417 ( 1.996 0.268 0.841) 2.182 4.458 ( -1.440 0.463 -3.456) 3.772 4.528 ( -2.103 -1.855 0.525) 2.853 4.664 ( 0.825 5.448 -2.665) 6.121 4.825 ( -3.668 0.078 6.697) 7.636 4.931 ( -6.786 -1.311 2.138) 7.234 4.954 ( -11.901 0.662 -0.540) 11.932 5.031 ( -8.710 -0.745 0.292) 8.747 5.092 ( -9.738 -1.607 -5.534) 11.316 7.104 ( -4.153 3.241 -1.209) 5.405 7.258 ( -4.453 -1.917 -1.898) 5.206 7.557 ( -4.657 1.091 -3.238) 5.776 7.615 ( -6.767 0.965 3.866) 7.853 7.632 ( -7.230 -0.602 1.310) 7.372 7.701 ( -0.780 -1.177 2.013) 2.459 8.194 ( -1.871 2.120 -1.307) 3.114 8.271 ( -3.930 -0.169 1.401) 4.175 8.377 ( -6.691 1.120 8.456) 10.841 8.470 ( -3.929 -2.006 -1.447) 4.642 8.648 ( -0.401 1.624 0.769) 1.841 8.703 ( -0.838 -0.865 -8.053) 8.143 8.889 ( -7.249 0.819 2.351) 7.664 8.967 ( -6.193 -2.263 -1.159) 6.694 9.267 ( -0.672 2.159 -1.384) 2.651 9.331 ( -0.903 -0.351 -2.220) 2.422 9.705 ( -1.760 2.901 1.519) 3.717 9.840 ( -6.587 -1.517 -2.261) 7.127 9.940 ( -6.130 -1.576 -1.033) 6.413 9.990 ( -2.150 1.085 2.980) 3.832 10.006 ( -9.867 -0.810 1.358) 9.993 10.189 ( 1.223 -3.630 1.983) 4.314 10.301 ( -4.194 2.501 -0.074) 4.884 10.369 ( -5.082 2.605 -0.485) 5.731 10.425 ( -4.578 -2.790 3.339) 6.316 10.544 ( -1.480 -5.222 -2.015) 5.790 10.708 ( -2.644 -2.031 0.678) 3.403 10.725 ( -6.832 -1.627 -4.244) 8.206 11.023 ( -4.237 3.694 4.657) 7.300 11.030 ( -7.423 5.109 1.392) 9.118 11.365 ( -4.219 -2.028 -3.551) 5.876 11.537 ( -2.763 -0.650 2.798) 3.986 11.655 ( 7.813 -2.516 -1.273) 8.306 11.668 ( 7.952 -2.131 -2.374) 8.568 11.841 ( 12.829 3.140 -1.531) 13.296 11.946 ( 15.081 -0.164 2.674) 15.317 12.935 ( -2.758 6.001 0.184) 6.607 12.985 ( -1.801 0.466 -0.501) 1.926 13.023 ( -0.351 1.322 -0.688) 1.531 13.161 ( -3.415 -1.753 1.768) 4.226 13.394 ( -1.619 -1.380 -3.275) 3.905 13.449 ( -1.091 -1.174 -1.843) 2.443 13.472 ( -5.284 2.139 0.807) 5.757 13.624 ( -8.187 -4.037 2.468) 9.456 13.850 ( -8.318 3.554 0.795) 9.081 14.018 ( -7.805 -3.279 -4.976) 9.820 14.233 ( -3.799 1.454 1.843) 4.465 14.336 ( -1.719 -2.951 0.042) 3.415 15.239 ( -3.292 1.031 -0.481) 3.483 15.263 ( -0.290 0.155 0.238) 0.406 15.466 ( 2.652 0.527 1.583) 3.133 15.485 ( 3.338 0.060 -0.052) 3.339 17.462 ( -1.797 0.425 -1.081) 2.140 17.479 ( -1.070 -0.200 0.851) 1.382 17.555 ( -1.208 -0.102 -0.174) 1.224 17.557 ( -1.152 -0.097 0.121) 1.163 18.383 ( -0.186 0.722 0.523) 0.911 18.417 ( -0.003 -0.578 0.260) 0.634 18.450 ( 0.107 0.280 -0.535) 0.613 18.466 ( 0.710 -0.327 -0.280) 0.830 18.631 ( -0.613 0.139 -0.541) 0.830 18.648 ( 0.836 -0.529 -0.898) 1.336 18.675 ( 0.801 0.454 0.724) 1.171 18.697 ( 0.736 -0.420 0.812) 1.173 18.872 ( -0.439 0.301 0.487) 0.722 18.877 ( -0.900 0.097 -0.747) 1.174 19.098 ( -0.305 0.152 1.189) 1.237 19.107 ( -1.027 -0.172 -0.823) 1.327 34.948 ( 0.394 0.383 -0.171) 0.576 34.970 ( 0.221 -0.479 0.322) 0.618 35.021 ( 0.351 0.271 -0.226) 0.498 35.032 ( 0.985 -0.179 -0.006) 1.001 35.182 ( 0.476 0.149 0.446) 0.669 35.190 ( 0.245 -0.160 -0.458) 0.544 35.211 ( 0.599 0.107 0.574) 0.837 35.216 ( 0.347 -0.090 -0.298) 0.467 51.371 ( 2.152 0.551 2.920) 3.669 51.405 ( 0.554 -0.805 0.543) 1.118 51.571 ( 3.711 1.099 3.490) 5.212 51.634 ( 2.438 -1.809 -0.229) 3.044 51.722 ( 3.774 1.831 -2.364) 4.815 51.783 ( 5.037 -1.135 -2.518) 5.745 51.858 ( 8.531 1.398 -0.748) 8.677 51.922 ( 12.636 -1.191 -1.062) 12.737 ======================= Grid point 101 (49/90) ======================= q-point: (-0.29 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -18.463 2.385 -0.542) 18.624 2.039 ( -18.127 2.351 1.245) 18.322 2.162 ( -15.786 -5.693 -0.504) 16.789 2.251 ( -15.277 -4.080 1.541) 15.887 2.398 ( -10.037 0.172 1.213) 10.112 2.437 ( -7.847 1.531 0.797) 8.035 2.538 ( -8.323 -0.400 -0.087) 8.333 2.583 ( -9.334 1.168 -0.283) 9.411 2.644 ( -7.755 -1.757 -0.964) 8.009 2.684 ( -6.172 -2.523 -0.623) 6.697 2.735 ( -8.902 5.110 -0.646) 10.284 2.807 ( -8.956 1.731 1.661) 9.272 2.943 ( -10.236 0.642 1.555) 10.373 2.957 ( -5.734 1.143 -1.512) 6.039 2.998 ( -5.042 -2.347 0.756) 5.613 3.054 ( -6.273 -3.043 -1.382) 7.108 3.078 ( -6.280 -0.440 -0.164) 6.298 3.140 ( -3.278 -1.038 -1.172) 3.632 3.177 ( -0.722 5.038 -1.454) 5.293 3.216 ( -5.175 -1.670 0.908) 5.513 3.263 ( -2.367 -2.509 1.209) 3.655 3.356 ( -6.261 -0.614 -0.090) 6.292 3.374 ( -3.854 0.431 1.068) 4.023 3.419 ( -4.132 4.003 -0.752) 5.802 3.423 ( -3.723 -3.422 0.077) 5.058 3.522 ( -7.513 -0.294 -0.407) 7.530 3.548 ( -1.673 0.533 0.018) 1.756 3.601 ( -5.533 3.101 -0.631) 6.374 3.625 ( -3.671 0.694 0.018) 3.736 3.659 ( -8.818 2.105 -1.307) 9.159 3.699 ( -12.468 0.746 3.901) 13.086 3.769 ( -5.688 0.081 -0.727) 5.735 3.872 ( 0.321 -1.982 -0.967) 2.228 3.938 ( -1.682 -2.475 4.706) 5.577 4.033 ( 1.876 3.136 0.059) 3.655 4.168 ( -0.124 -1.056 -1.276) 1.661 4.179 ( -3.796 -2.532 -0.225) 4.569 4.240 ( -9.652 -3.950 -1.745) 10.574 4.411 ( 0.743 0.453 -3.590) 3.694 4.434 ( 2.666 0.194 -5.830) 6.413 4.513 ( 5.175 0.350 3.823) 6.443 4.521 ( 0.367 0.186 6.263) 6.276 4.626 ( -10.489 5.973 -3.967) 12.705 4.742 ( -4.287 1.797 2.216) 5.149 4.818 ( -2.953 -0.976 -0.909) 3.240 4.847 ( 2.092 0.906 1.906) 2.972 4.875 ( -5.964 -2.043 0.837) 6.360 4.895 ( -4.842 -1.847 -3.635) 6.330 7.043 ( -1.686 3.230 -0.731) 3.716 7.184 ( -2.636 -1.190 -0.987) 3.056 7.393 ( -10.587 1.431 1.821) 10.837 7.486 ( -7.223 -1.857 -0.304) 7.464 7.495 ( -6.939 0.340 0.963) 7.013 7.648 ( -5.010 -1.699 0.972) 5.378 8.127 ( -4.898 1.475 0.194) 5.119 8.172 ( -6.229 0.315 1.866) 6.510 8.272 ( -6.228 2.543 4.387) 8.031 8.385 ( -3.930 -1.178 -4.383) 6.004 8.627 ( -2.249 0.264 2.525) 3.392 8.637 ( -3.486 -0.015 -7.628) 8.387 8.763 ( -5.783 0.452 3.108) 6.580 8.852 ( -4.328 -3.123 -2.886) 6.067 9.196 ( -6.469 3.187 -1.511) 7.368 9.298 ( -1.691 2.542 -1.898) 3.595 9.629 ( -13.386 -0.111 -4.160) 14.018 9.667 ( -4.459 2.112 6.068) 7.821 9.787 ( -8.355 -2.798 3.436) 9.458 9.838 ( -7.006 -2.770 1.129) 7.618 9.980 ( -0.045 3.759 -2.271) 4.392 10.114 ( -9.416 -0.139 -2.115) 9.652 10.205 ( -4.619 -2.683 0.447) 5.360 10.317 ( -3.492 1.346 0.412) 3.765 10.339 ( -2.501 -2.271 2.375) 4.129 10.482 ( -5.577 1.647 -2.267) 6.242 10.582 ( -4.504 -5.183 2.641) 7.357 10.658 ( -3.628 -4.282 -2.009) 5.961 10.861 ( -9.963 3.751 0.862) 10.681 11.006 ( 0.190 -0.549 6.806) 6.831 11.258 ( -5.271 1.010 -5.834) 7.927 11.459 ( -5.556 -0.691 2.340) 6.068 11.681 ( -4.678 -1.186 -1.481) 5.048 11.751 ( 1.385 -1.673 -1.985) 2.942 12.151 ( 15.629 2.011 0.913) 15.785 12.240 ( 10.714 -0.231 -0.281) 10.720 12.795 ( -11.687 4.159 1.767) 12.530 12.903 ( -7.505 -1.186 -0.755) 7.636 13.010 ( -1.619 2.043 -0.115) 2.609 13.061 ( -3.121 2.224 1.006) 3.962 13.270 ( -14.164 -2.453 0.436) 14.381 13.350 ( -9.474 -2.144 4.156) 10.565 13.421 ( 1.265 0.997 -6.722) 6.912 13.507 ( 6.482 -2.027 -4.199) 7.985 13.849 ( 3.818 -0.074 0.458) 3.846 13.885 ( -2.571 -0.867 -2.744) 3.859 14.148 ( -5.001 3.021 4.287) 7.246 14.286 ( -2.972 -2.725 -1.636) 4.351 15.198 ( -0.735 2.268 1.200) 2.669 15.308 ( 4.801 -1.982 0.877) 5.267 15.559 ( 6.234 1.065 1.905) 6.605 15.589 ( 7.436 0.118 -1.003) 7.505 17.422 ( -1.888 0.517 -0.957) 2.179 17.451 ( -1.825 -0.631 0.069) 1.932 17.528 ( -1.667 0.172 0.201) 1.688 17.533 ( -1.298 -0.018 0.351) 1.345 18.384 ( 0.117 0.730 0.266) 0.786 18.418 ( 0.063 -0.598 -0.057) 0.604 18.453 ( 0.385 0.496 -0.371) 0.729 18.480 ( 0.762 -0.546 0.146) 0.949 18.616 ( -0.698 0.686 -0.430) 1.069 18.662 ( 0.771 -1.207 -1.170) 1.850 18.693 ( 0.733 0.521 0.511) 1.034 18.715 ( 0.850 -0.325 0.784) 1.202 18.855 ( -1.006 0.339 -0.451) 1.154 18.865 ( -0.487 0.015 0.725) 0.874 19.082 ( -1.144 0.279 -0.794) 1.420 19.095 ( -0.393 -0.188 0.789) 0.901 34.955 ( 0.325 0.309 -0.320) 0.551 34.975 ( 0.202 -0.498 -0.023) 0.538 35.027 ( 0.145 0.570 0.329) 0.674 35.049 ( 0.582 -0.366 0.272) 0.740 35.194 ( 0.609 0.063 0.271) 0.670 35.197 ( 0.619 -0.050 -0.329) 0.703 35.226 ( 0.755 0.020 -0.223) 0.787 35.228 ( 0.944 -0.054 0.380) 1.019 51.426 ( 1.297 0.341 1.107) 1.739 51.443 ( 3.997 -0.310 2.304) 4.624 51.677 ( 5.192 -0.044 5.517) 7.575 51.690 ( 3.690 -0.639 2.031) 4.260 51.783 ( 3.413 1.670 -3.461) 5.140 51.881 ( 5.758 -2.950 -3.765) 7.485 52.053 ( 11.124 4.058 -1.323) 11.915 52.201 ( 15.838 -2.347 -1.371) 16.069 ======================= Grid point 102 (50/90) ======================= q-point: (-0.21 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -20.442 4.125 2.167) 20.966 1.644 ( -22.098 4.462 3.108) 22.758 1.867 ( -14.683 -7.667 0.449) 16.571 1.956 ( -14.749 -7.114 2.036) 16.502 2.181 ( -11.354 -0.452 -0.460) 11.372 2.273 ( -10.359 2.315 -5.100) 11.777 2.351 ( -10.197 -0.816 -1.089) 10.287 2.380 ( -11.516 4.122 3.265) 12.659 2.481 ( -8.566 -4.406 -3.627) 10.293 2.516 ( -11.149 3.429 -0.945) 11.702 2.583 ( -6.086 1.535 -1.303) 6.411 2.622 ( -10.036 -4.120 4.370) 11.696 2.695 ( -11.113 2.439 -0.822) 11.407 2.844 ( -10.255 -0.155 -3.198) 10.743 2.882 ( -7.660 -2.044 1.461) 8.062 2.886 ( -12.589 -0.264 -0.004) 12.592 2.930 ( -4.587 -0.987 1.474) 4.918 3.030 ( -14.430 5.232 -1.872) 15.463 3.060 ( -9.453 -2.913 2.237) 10.141 3.101 ( -8.391 -0.274 1.577) 8.542 3.134 ( -4.833 3.718 0.346) 6.107 3.215 ( -5.488 -2.931 1.216) 6.339 3.265 ( -9.959 2.191 3.484) 10.776 3.271 ( -7.890 1.513 0.084) 8.034 3.309 ( -5.689 -0.382 -2.860) 6.379 3.350 ( -3.740 3.511 -1.151) 5.257 3.453 ( -11.512 -1.459 3.451) 12.106 3.475 ( -5.215 3.026 0.847) 6.088 3.521 ( -2.237 1.332 -0.737) 2.706 3.531 ( -4.693 0.200 -0.871) 4.777 3.616 ( -0.675 0.649 -0.334) 0.994 3.734 ( -0.072 -3.436 -3.549) 4.940 3.809 ( -7.115 -4.972 2.149) 8.942 3.865 ( -6.347 -5.861 2.836) 9.093 4.007 ( -8.476 -1.828 -1.689) 8.834 4.055 ( -8.221 -1.140 0.016) 8.300 4.101 ( 0.055 2.196 -2.517) 3.341 4.162 ( -5.453 1.778 -2.767) 6.369 4.312 ( -2.035 3.155 -5.546) 6.697 4.431 ( -2.674 -1.145 -2.604) 3.904 4.512 ( 0.340 2.042 -4.202) 4.684 4.525 ( -2.029 2.177 5.954) 6.656 4.622 ( 2.000 -1.073 6.014) 6.428 4.697 ( -0.018 0.496 -1.749) 1.818 4.709 ( -0.212 -1.057 1.673) 1.990 4.861 ( 4.790 -2.125 2.208) 5.687 4.897 ( 2.607 3.795 -0.653) 4.651 5.021 ( 10.173 -1.799 -1.637) 10.459 7.029 ( 0.229 3.242 -0.964) 3.390 7.134 ( -3.368 1.226 0.411) 3.607 7.196 ( -8.563 0.809 1.087) 8.670 7.329 ( -8.732 3.235 -0.490) 9.325 7.369 ( -5.493 -7.598 0.498) 9.389 7.533 ( -6.365 -2.166 1.185) 6.827 8.003 ( -7.731 0.602 0.392) 7.764 8.032 ( -8.703 -0.279 1.608) 8.854 8.167 ( -5.231 3.950 1.289) 6.680 8.293 ( -3.682 -1.040 -4.260) 5.726 8.515 ( -6.606 0.798 -4.971) 8.306 8.583 ( -3.571 -2.374 3.050) 5.262 8.689 ( -2.918 0.877 2.925) 4.223 8.790 ( -0.911 -3.598 -3.911) 5.391 9.017 ( -10.558 3.795 -1.806) 11.364 9.244 ( -3.666 6.226 -1.999) 7.497 9.325 ( -14.938 -3.609 -4.020) 15.885 9.515 ( -11.701 -5.577 7.486) 14.968 9.685 ( -7.181 2.004 6.192) 9.691 9.716 ( -4.122 1.670 0.336) 4.460 9.895 ( -11.411 2.015 -2.197) 11.794 9.966 ( -0.352 3.971 -5.417) 6.726 10.089 ( -6.879 -4.802 0.000) 8.389 10.204 ( -6.363 -0.712 0.546) 6.425 10.327 ( -1.725 0.369 -0.944) 2.000 10.338 ( -7.185 5.015 -1.171) 8.840 10.529 ( -3.933 -6.750 4.651) 9.091 10.561 ( -5.861 -3.957 1.019) 7.145 10.662 ( -9.637 1.031 0.640) 9.713 10.973 ( -10.021 -9.937 4.292) 14.751 11.163 ( 0.523 8.172 -5.911) 10.100 11.344 ( -6.357 1.312 0.637) 6.522 11.499 ( -12.033 2.123 2.172) 12.410 11.682 ( -8.171 -3.243 -2.572) 9.160 12.177 ( -14.766 1.943 -3.213) 15.236 12.287 ( -8.885 -2.800 0.694) 9.342 12.632 ( -2.524 7.398 5.750) 9.704 12.821 ( 2.904 0.465 -1.292) 3.212 12.931 ( -5.155 2.269 -0.334) 5.642 13.050 ( -0.569 -0.181 -0.127) 0.611 13.136 ( 4.499 -4.441 0.843) 6.377 13.239 ( -2.421 -4.733 -1.060) 5.420 13.468 ( 6.204 2.502 -11.524) 13.325 13.650 ( 8.369 -4.297 -7.203) 11.849 13.890 ( 2.734 1.789 2.472) 4.097 13.958 ( 5.872 0.227 -0.605) 5.908 14.106 ( -0.116 2.852 7.995) 8.489 14.217 ( -2.781 -1.489 -5.649) 6.470 15.225 ( 2.548 3.981 7.049) 8.487 15.451 ( 8.847 -5.232 2.788) 10.650 15.716 ( 8.863 2.382 2.284) 9.457 15.762 ( 10.346 0.349 -2.400) 10.627 17.385 ( -1.595 0.439 -0.631) 1.771 17.413 ( -1.841 -0.754 -0.451) 2.040 17.494 ( -1.845 0.470 0.301) 1.928 17.507 ( -1.572 -0.099 0.396) 1.624 18.390 ( 0.469 0.666 0.212) 0.841 18.420 ( 0.253 -0.539 -0.186) 0.624 18.463 ( 0.695 0.594 -0.300) 0.962 18.495 ( 0.661 -0.656 0.345) 0.993 18.601 ( -0.677 1.126 -0.285) 1.344 18.668 ( 0.246 -1.577 -1.467) 2.167 18.707 ( 0.559 0.593 0.012) 0.815 18.734 ( 0.766 -0.343 0.794) 1.156 18.835 ( -1.008 0.510 -0.227) 1.153 18.855 ( -0.827 -0.282 0.724) 1.135 19.059 ( -1.013 0.695 -0.535) 1.340 19.088 ( -0.560 -0.439 0.332) 0.785 34.959 ( 0.106 0.333 -0.208) 0.407 34.979 ( 0.271 -0.504 -0.295) 0.644 35.029 ( -0.095 0.596 0.866) 1.055 35.054 ( -0.164 -0.442 0.234) 0.526 35.208 ( 0.697 0.094 0.311) 0.768 35.212 ( 0.984 -0.083 -0.067) 0.990 35.242 ( 0.899 0.094 -0.433) 1.002 35.248 ( 0.962 -0.147 0.019) 0.973 51.459 ( 1.390 1.105 2.037) 2.702 51.526 ( 3.618 -1.627 0.249) 3.975 51.764 ( 3.933 1.694 3.195) 5.342 51.812 ( 3.670 1.960 -0.182) 4.165 51.864 ( 7.134 -2.006 8.536) 11.304 51.978 ( 5.339 -5.416 -4.195) 8.685 52.271 ( 11.248 7.301 -2.276) 13.602 52.521 ( 16.889 -3.813 -2.280) 17.464 ======================= Grid point 103 (51/90) ======================= q-point: (-0.14 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -21.311 7.481 6.931) 23.625 1.224 ( -21.205 7.537 9.319) 24.357 1.593 ( -12.652 -6.066 0.948) 14.063 1.695 ( -12.288 -5.791 -0.534) 13.595 1.961 ( -11.845 -4.184 -2.729) 12.855 1.979 ( -15.979 0.389 -3.770) 16.422 2.073 ( -21.799 2.730 -1.751) 22.039 2.137 ( -11.583 1.562 -2.564) 11.966 2.233 ( -14.173 8.285 2.795) 16.653 2.340 ( -6.973 -2.005 -0.348) 7.263 2.435 ( -6.864 -0.115 -1.652) 7.061 2.468 ( -9.521 3.509 -0.997) 10.196 2.499 ( -10.522 12.725 2.512) 16.702 2.561 ( -5.797 -8.541 1.524) 10.434 2.675 ( -7.690 0.336 2.988) 8.257 2.738 ( -6.446 0.206 -2.892) 7.068 2.829 ( -6.196 -2.537 2.107) 7.019 2.870 ( -3.753 -3.937 2.108) 5.833 2.919 ( -6.785 -6.509 -0.033) 9.403 2.959 ( -6.734 0.789 1.089) 6.867 3.016 ( -6.997 2.484 0.053) 7.425 3.067 ( -8.718 -2.685 1.634) 9.267 3.089 ( -9.423 -1.987 1.514) 9.749 3.111 ( -7.464 3.539 -2.393) 8.600 3.208 ( -3.532 -1.452 -4.858) 6.179 3.250 ( -8.205 -3.916 0.245) 9.095 3.292 ( -3.412 6.613 -0.184) 7.444 3.365 ( -6.232 2.502 2.650) 7.219 3.436 ( -4.339 6.320 -2.479) 8.057 3.467 ( -4.509 -2.210 -2.460) 5.592 3.572 ( -6.715 -4.025 2.319) 8.165 3.653 ( -7.539 -6.629 1.464) 10.145 3.668 ( -4.677 -5.146 2.285) 7.319 3.785 ( -0.083 -6.262 -2.217) 6.643 3.805 ( -11.089 1.030 -6.757) 13.026 3.877 ( -5.919 -4.210 -1.180) 7.358 4.009 ( -4.929 3.493 -0.092) 6.042 4.127 ( -0.828 0.797 -3.257) 3.454 4.320 ( 1.548 4.884 -3.254) 6.070 4.372 ( -0.285 -2.926 -3.539) 4.601 4.481 ( -1.087 6.552 5.448) 8.590 4.568 ( 2.972 2.355 0.156) 3.795 4.644 ( 0.438 2.647 1.308) 2.985 4.752 ( 2.749 -1.595 4.178) 5.250 4.761 ( 4.216 1.031 -1.715) 4.666 4.954 ( 3.271 4.126 -1.570) 5.495 5.003 ( 6.833 -2.514 5.367) 9.045 5.201 ( 8.500 -4.565 -2.405) 9.943 6.992 ( -5.389 3.777 1.167) 6.684 7.055 ( -1.682 2.864 -0.267) 3.332 7.114 ( -1.388 1.370 -1.504) 2.463 7.160 ( -7.528 1.326 -0.641) 7.671 7.279 ( -3.757 -5.561 -3.188) 7.430 7.428 ( -4.971 -4.772 3.997) 7.966 7.829 ( -9.585 0.681 -1.459) 9.720 7.859 ( -8.525 0.354 0.228) 8.535 8.070 ( -5.491 2.381 2.551) 6.506 8.230 ( -1.577 -2.660 -1.291) 3.351 8.357 ( -8.345 0.943 0.097) 8.398 8.491 ( -7.249 -8.505 4.616) 12.091 8.644 ( -3.138 2.449 0.478) 4.010 8.779 ( -1.412 -0.099 -4.028) 4.270 8.811 ( -6.169 1.548 -5.086) 8.144 9.033 ( -10.805 -1.752 -2.525) 11.234 9.177 ( -4.064 2.419 -2.476) 5.338 9.320 ( -9.115 -5.350 5.207) 11.782 9.481 ( -14.013 6.292 7.038) 16.897 9.635 ( -10.140 1.188 2.416) 10.491 9.699 ( -3.779 3.654 -1.488) 5.463 9.924 ( -3.051 4.302 -3.264) 6.202 9.951 ( -6.712 -1.916 0.502) 6.998 10.059 ( -9.411 -0.550 -0.756) 9.458 10.205 ( -3.909 2.891 -1.039) 4.972 10.276 ( -2.997 0.421 -2.947) 4.224 10.377 ( -9.762 -4.533 -0.459) 10.772 10.460 ( -7.388 -5.141 4.426) 10.030 10.529 ( -4.391 -2.940 -0.065) 5.285 10.678 ( -16.380 -8.022 1.123) 18.274 11.159 ( -6.610 8.236 -4.382) 11.434 11.230 ( -4.805 3.584 -0.935) 6.067 11.291 ( -7.524 3.740 1.982) 8.633 11.475 ( -8.609 1.494 -0.439) 8.749 11.846 ( -17.010 -4.124 -2.922) 17.745 11.930 ( -19.876 -6.850 -4.459) 21.491 12.651 ( 4.327 7.635 -1.032) 8.836 12.836 ( -3.929 1.252 -0.418) 4.145 12.923 ( 2.781 3.410 -2.263) 4.948 13.108 ( 6.567 -3.571 2.005) 7.740 13.211 ( 0.811 -4.802 -0.927) 4.957 13.315 ( 8.754 -4.156 -0.295) 9.695 13.587 ( 9.997 3.667 -17.912) 20.838 13.756 ( 4.394 -3.026 -7.966) 9.588 13.937 ( 1.813 0.620 2.510) 3.158 14.080 ( 0.147 -3.049 -1.209) 3.283 14.134 ( 4.565 5.911 -3.661) 8.317 14.212 ( 4.916 1.494 0.674) 5.182 15.376 ( 9.791 4.578 21.633) 24.183 15.655 ( 9.806 -7.422 7.029) 14.165 15.906 ( 9.457 3.877 1.791) 10.376 15.968 ( 11.253 0.369 -2.761) 11.593 17.359 ( -0.893 0.340 -0.108) 0.962 17.380 ( -1.329 -0.630 -0.665) 1.614 17.459 ( -1.754 0.530 0.318) 1.860 17.473 ( -1.902 -0.080 -0.031) 1.904 18.403 ( 0.805 0.682 0.344) 1.110 18.427 ( 0.517 -0.354 -0.039) 0.628 18.477 ( 0.757 0.514 -0.441) 1.016 18.508 ( 0.532 -0.732 0.383) 0.982 18.590 ( -0.430 1.372 0.064) 1.439 18.664 ( -0.061 -1.390 -1.520) 2.061 18.711 ( -0.112 0.556 -0.846) 1.019 18.748 ( 0.315 -0.579 0.655) 0.929 18.814 ( -1.105 0.473 -0.255) 1.229 18.834 ( -1.512 -0.323 0.362) 1.588 19.040 ( -0.768 0.862 -0.172) 1.167 19.074 ( -0.873 -0.515 -0.066) 1.016 34.960 ( 0.105 0.460 0.042) 0.473 34.983 ( 0.330 -0.408 -0.503) 0.727 35.028 ( -0.430 0.159 1.579) 1.644 35.045 ( -0.683 -0.410 -0.295) 0.849 35.223 ( 0.770 0.189 0.389) 0.883 35.233 ( 1.081 -0.188 -0.009) 1.097 35.255 ( 0.609 0.106 -0.899) 1.091 35.263 ( 0.516 -0.179 -0.274) 0.611 51.488 ( 0.781 1.600 2.300) 2.909 51.580 ( 2.147 -2.094 -1.961) 3.583 51.811 ( 0.412 1.698 -5.148) 5.437 51.881 ( 3.053 3.470 7.912) 9.163 52.033 ( 5.006 -7.198 -0.552) 8.785 52.131 ( 11.328 -5.949 20.413) 24.092 52.469 ( 9.585 10.885 -3.307) 14.876 52.833 ( 15.218 -5.500 -2.934) 16.446 ======================= Grid point 104 (52/90) ======================= q-point: (-0.07 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -14.567 16.110 12.647) 25.133 0.915 ( -14.259 13.058 18.568) 26.807 1.415 ( -5.659 -3.904 3.377) 7.659 1.463 ( -10.267 2.058 -4.736) 11.492 1.528 ( -23.994 21.266 12.027) 34.243 1.681 ( -13.149 -3.095 -8.391) 15.902 1.810 ( -6.374 -10.439 -0.015) 12.231 1.929 ( -8.719 1.882 2.249) 9.199 1.998 ( -8.957 1.235 -2.726) 9.444 2.212 ( -4.861 0.626 -3.474) 6.007 2.281 ( -6.996 2.891 -3.155) 8.201 2.360 ( -0.314 -1.374 -2.206) 2.618 2.401 ( -3.090 8.243 1.083) 8.869 2.490 ( -1.056 -3.176 2.471) 4.160 2.599 ( -2.629 0.957 -0.613) 2.864 2.659 ( -1.417 -3.331 2.646) 4.484 2.708 ( -6.306 -1.631 1.236) 6.629 2.781 ( -5.796 -3.918 4.511) 8.324 2.822 ( -2.932 -6.969 -0.424) 7.573 2.854 ( -5.292 -0.802 -1.188) 5.483 2.858 ( -7.300 -1.872 -3.116) 8.155 2.939 ( -5.198 -0.577 1.363) 5.405 2.958 ( -2.255 -3.263 0.366) 3.983 2.981 ( -3.936 4.730 -4.800) 7.804 3.110 ( -6.331 -1.185 -3.821) 7.489 3.119 ( -4.878 -1.776 -5.106) 7.281 3.203 ( -5.296 -6.772 -1.332) 8.700 3.266 ( -5.369 0.928 1.666) 5.697 3.286 ( -4.769 3.916 2.064) 6.506 3.387 ( -2.854 2.176 -0.672) 3.652 3.451 ( -5.396 -2.094 1.776) 6.055 3.553 ( -2.444 -5.070 1.818) 5.914 3.597 ( -6.740 -0.706 -3.590) 7.670 3.650 ( 0.110 -2.564 -1.249) 2.854 3.774 ( -3.401 -9.721 -2.982) 10.722 3.800 ( 0.862 -3.756 -3.168) 4.989 3.946 ( -1.938 3.545 1.583) 4.339 4.089 ( -1.063 -2.036 -4.516) 5.066 4.351 ( 1.816 8.570 -1.412) 8.873 4.374 ( 0.692 0.221 -1.869) 2.005 4.491 ( 0.037 6.275 4.573) 7.764 4.625 ( 2.249 3.540 2.213) 4.742 4.656 ( 0.534 6.188 -1.039) 6.297 4.810 ( 1.146 4.729 5.291) 7.188 4.826 ( 2.963 -5.274 -2.103) 6.404 5.003 ( 2.179 3.943 -2.504) 5.154 5.134 ( 4.173 -3.810 6.580) 8.674 5.329 ( 5.045 -6.349 -2.714) 8.552 6.922 ( -0.929 5.261 0.841) 5.408 7.014 ( -1.299 1.268 -2.361) 2.978 7.036 ( -3.341 2.211 -0.841) 4.094 7.126 ( 1.522 2.698 -2.123) 3.755 7.192 ( -3.946 -1.348 -5.777) 7.125 7.337 ( -6.607 -3.460 3.915) 8.423 7.646 ( -6.783 -0.781 -2.751) 7.361 7.713 ( -6.149 -0.473 -0.361) 6.178 7.964 ( -6.281 -0.563 7.528) 9.820 8.192 ( -6.600 -5.348 4.384) 9.559 8.241 ( -0.120 -1.142 2.867) 3.089 8.341 ( -8.882 -11.566 8.660) 16.960 8.553 ( -3.730 5.852 -5.683) 8.970 8.656 ( -5.545 4.290 -3.131) 7.679 8.807 ( 1.298 -1.934 -4.135) 4.745 8.903 ( -2.163 -4.358 -2.024) 5.269 9.097 ( -2.676 1.176 -1.042) 3.103 9.184 ( -8.123 -1.396 4.001) 9.162 9.262 ( -6.466 8.074 3.819) 11.027 9.431 ( -7.790 0.982 0.533) 7.870 9.644 ( -3.466 4.223 -2.947) 6.207 9.790 ( -9.073 3.633 2.127) 10.002 9.848 ( -3.212 1.894 1.686) 4.092 9.923 ( -2.945 -1.362 3.422) 4.716 10.120 ( -13.497 -0.323 -16.578) 21.380 10.192 ( -2.446 -2.926 -2.677) 4.660 10.235 ( -1.523 0.637 -3.980) 4.309 10.275 ( -8.467 -5.004 -1.509) 9.950 10.414 ( -4.828 -3.383 1.972) 6.216 10.509 ( -3.310 -6.767 5.417) 9.279 10.843 ( -19.574 10.249 -8.754) 23.766 10.976 ( -16.712 3.900 -2.333) 17.319 11.265 ( -0.593 1.742 -0.757) 1.990 11.397 ( -0.534 4.936 -2.072) 5.380 11.506 ( -7.441 -5.303 2.015) 9.357 11.736 ( -3.141 -5.326 -4.033) 7.382 12.768 ( 3.144 6.165 -5.032) 8.556 12.806 ( 5.088 -1.653 0.686) 5.393 12.923 ( -0.429 3.292 -4.219) 5.368 13.117 ( -4.427 -6.932 -1.435) 8.350 13.341 ( 8.490 2.855 4.022) 9.819 13.425 ( 2.610 0.213 -3.393) 4.286 13.652 ( -1.506 4.811 -21.852) 22.426 13.802 ( 3.733 0.428 -7.202) 8.124 13.974 ( 1.051 -2.083 -1.573) 2.814 14.010 ( 0.605 0.685 -7.091) 7.149 14.258 ( 4.698 2.646 -2.093) 5.783 14.306 ( 3.679 2.105 -0.919) 4.337 15.774 ( 19.322 -4.512 33.185) 38.665 15.844 ( 5.687 -5.559 12.034) 14.425 16.083 ( 8.491 4.379 -1.333) 9.646 16.179 ( 10.102 -0.204 0.515) 10.117 17.352 ( 0.187 0.353 0.539) 0.670 17.357 ( -0.696 0.106 -0.585) 0.915 17.426 ( -1.710 0.268 0.186) 1.741 17.435 ( -1.664 0.018 -0.257) 1.684 18.424 ( 1.138 0.972 0.307) 1.527 18.441 ( 0.792 -0.076 0.381) 0.883 18.487 ( 0.387 0.407 -0.773) 0.956 18.516 ( 0.031 -0.967 0.029) 0.968 18.587 ( 0.076 1.318 0.809) 1.548 18.662 ( 0.557 -1.381 -0.390) 1.539 18.696 ( -0.783 1.367 -1.805) 2.396 18.750 ( -0.239 -0.881 0.169) 0.928 18.787 ( -1.554 0.394 -0.186) 1.614 18.800 ( -1.794 -0.087 -0.326) 1.826 19.028 ( -0.478 0.690 0.147) 0.852 19.055 ( -0.887 -0.425 -0.221) 1.008 34.964 ( 0.227 0.550 0.398) 0.716 34.989 ( 0.465 -0.301 -0.519) 0.759 35.014 ( -1.317 0.011 0.965) 1.633 35.034 ( -0.347 -0.849 -0.484) 1.037 35.239 ( 0.720 0.198 0.260) 0.791 35.252 ( 0.668 -0.294 -0.027) 0.730 35.260 ( 0.284 0.070 -1.226) 1.260 35.265 ( -0.191 -0.128 -0.402) 0.463 51.499 ( -0.310 2.173 1.667) 2.756 51.596 ( 0.435 -0.047 -3.903) 3.927 51.780 ( -1.890 -1.310 -0.400) 2.334 51.931 ( -0.202 -0.532 3.591) 3.636 52.134 ( 4.976 -3.176 7.245) 9.345 52.498 ( 15.229 -14.946 33.516) 39.732 52.622 ( 7.851 12.574 -2.908) 15.106 53.078 ( 9.904 -7.210 -2.252) 12.456 ======================= Grid point 105 (53/90) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -0.340 -6.725 9.597) 11.724 1.103 ( -0.340 6.725 9.597) 11.724 1.230 ( 0.649 -8.312 9.596) 12.712 1.230 ( 0.649 8.312 9.596) 12.712 1.558 ( -0.755 -6.337 -3.055) 7.075 1.558 ( -0.755 6.337 -3.055) 7.075 1.742 ( 1.102 -2.567 -5.639) 6.293 1.742 ( 1.102 2.567 -5.639) 6.293 2.148 ( -2.531 -28.204 4.744) 28.712 2.148 ( -2.531 28.204 4.744) 28.712 2.318 ( 3.337 -9.167 0.076) 9.756 2.318 ( 3.337 9.167 0.076) 9.756 2.382 ( -1.607 -11.018 -0.102) 11.135 2.382 ( -1.607 11.018 -0.102) 11.135 2.515 ( 1.285 -2.628 -1.872) 3.473 2.515 ( 1.285 2.628 -1.872) 3.473 2.671 ( -0.561 -1.443 4.034) 4.321 2.671 ( -0.561 1.443 4.034) 4.321 2.701 ( -0.906 -5.307 5.161) 7.458 2.701 ( -0.906 5.307 5.161) 7.458 2.828 ( 0.142 -1.029 -0.320) 1.087 2.828 ( 0.142 1.029 -0.320) 1.087 2.935 ( -0.967 -1.710 -2.241) 2.980 2.935 ( -0.967 1.710 -2.241) 2.980 3.032 ( 0.453 -3.295 -3.416) 4.768 3.032 ( 0.453 3.295 -3.416) 4.768 3.142 ( 1.378 -7.807 -10.331) 13.022 3.142 ( 1.378 7.807 -10.331) 13.022 3.326 ( -2.331 -3.625 2.810) 5.145 3.326 ( -2.331 3.625 2.810) 5.145 3.429 ( -0.036 -3.146 -1.025) 3.309 3.429 ( -0.036 3.146 -1.025) 3.309 3.572 ( 0.892 -4.189 0.987) 4.395 3.572 ( 0.892 4.189 0.987) 4.395 3.696 ( 0.417 -5.366 -4.859) 7.251 3.696 ( 0.417 5.366 -4.859) 7.251 4.012 ( -0.088 -3.369 -0.942) 3.499 4.012 ( -0.088 3.369 -0.942) 3.499 4.397 ( -0.051 -0.886 -1.754) 1.966 4.397 ( -0.051 0.886 -1.754) 1.966 4.679 ( -0.524 -5.153 3.349) 6.168 4.679 ( -0.524 5.153 3.349) 6.168 4.747 ( 0.545 -5.209 1.868) 5.560 4.747 ( 0.545 5.209 1.868) 5.560 5.004 ( -0.489 -7.917 2.741) 8.392 5.004 ( -0.489 7.917 2.741) 8.392 5.200 ( 0.523 -8.448 -1.914) 8.678 5.200 ( 0.523 8.448 -1.914) 8.678 6.995 ( 1.491 -1.462 -1.918) 2.835 6.995 ( 1.491 1.462 -1.918) 2.835 7.124 ( 0.351 -2.890 -5.380) 6.118 7.124 ( 0.351 2.890 -5.380) 6.118 7.241 ( 2.731 -0.221 -0.530) 2.791 7.241 ( 2.731 0.221 -0.530) 2.791 7.552 ( -1.234 -1.671 -0.484) 2.133 7.552 ( -1.234 1.671 -0.484) 2.133 7.932 ( -4.215 -4.477 16.575) 17.678 7.932 ( -4.215 4.477 16.575) 17.678 8.228 ( 0.057 -3.105 0.760) 3.197 8.228 ( 0.057 3.105 0.760) 3.197 8.669 ( 0.840 -2.997 -4.929) 5.830 8.669 ( 0.840 2.997 -4.929) 5.830 8.781 ( 2.867 -0.769 -2.492) 3.875 8.781 ( 2.867 0.769 -2.492) 3.875 9.088 ( -1.124 -2.019 3.332) 4.054 9.088 ( -1.124 2.019 3.332) 4.054 9.320 ( 0.175 -3.010 -0.081) 3.016 9.320 ( 0.175 3.010 -0.081) 3.016 9.732 ( -0.727 -8.621 1.043) 8.714 9.732 ( -0.727 8.621 1.043) 8.714 9.792 ( 1.193 -3.666 2.247) 4.462 9.792 ( 1.193 3.666 2.247) 4.462 10.039 ( -2.989 -7.086 -6.688) 10.192 10.039 ( -2.989 7.086 -6.688) 10.192 10.157 ( -0.200 -2.663 -5.839) 6.421 10.157 ( -0.200 2.663 -5.839) 6.421 10.437 ( 5.072 -2.455 6.798) 8.830 10.437 ( 5.072 2.455 6.798) 8.830 10.702 ( -4.956 -5.736 -7.624) 10.751 10.702 ( -4.956 5.736 -7.624) 10.751 11.351 ( -0.103 -5.731 3.903) 6.934 11.351 ( -0.103 5.731 3.903) 6.935 11.573 ( 1.428 -7.490 -6.551) 10.053 11.573 ( 1.428 7.490 -6.551) 10.053 12.840 ( 0.041 -2.425 -0.017) 2.425 12.840 ( 0.041 2.425 -0.017) 2.425 12.971 ( 1.504 -3.365 -4.207) 5.593 12.971 ( 1.504 3.365 -4.207) 5.593 13.455 ( -3.214 -3.247 -0.170) 4.572 13.455 ( -3.214 3.247 -0.170) 4.572 13.710 ( -1.109 -11.615 -16.649) 20.330 13.710 ( -1.109 11.615 -16.649) 20.330 14.012 ( 2.746 -5.009 -0.374) 5.725 14.012 ( 2.746 5.010 -0.374) 5.725 14.340 ( -0.548 -1.815 -6.924) 7.179 14.340 ( -0.548 1.815 -6.924) 7.179 15.913 ( -1.410 -4.004 22.065) 22.470 15.913 ( -1.410 4.004 22.065) 22.470 16.256 ( 0.905 -2.788 -0.092) 2.933 16.256 ( 0.905 2.789 -0.092) 2.933 17.359 ( -0.039 -0.522 0.224) 0.569 17.359 ( -0.039 0.522 0.224) 0.569 17.415 ( 0.211 -0.242 0.015) 0.322 17.415 ( 0.211 0.242 0.015) 0.322 18.457 ( 0.547 -0.268 0.450) 0.757 18.457 ( 0.547 0.268 0.450) 0.757 18.493 ( -0.620 -0.401 -0.650) 0.984 18.493 ( -0.620 0.401 -0.650) 0.984 18.639 ( 0.959 -2.514 1.691) 3.178 18.639 ( 0.959 2.514 1.691) 3.178 18.717 ( -0.409 -1.659 -1.891) 2.549 18.717 ( -0.409 1.659 -1.891) 2.549 18.774 ( 0.193 -0.634 -0.324) 0.737 18.774 ( 0.193 0.634 -0.324) 0.737 19.036 ( 0.071 -0.497 0.042) 0.504 19.036 ( 0.071 0.497 0.042) 0.504 34.981 ( -0.149 -0.459 0.747) 0.889 34.981 ( -0.149 0.459 0.747) 0.889 35.010 ( 0.120 -0.317 -0.816) 0.883 35.010 ( 0.120 0.317 -0.816) 0.883 35.249 ( -0.348 -0.027 -0.082) 0.358 35.249 ( -0.348 0.027 -0.082) 0.358 35.261 ( 0.207 -0.182 -0.763) 0.812 35.261 ( 0.207 0.182 -0.763) 0.812 51.564 ( -0.385 -4.058 1.296) 4.277 51.564 ( -0.385 4.058 1.296) 4.277 51.777 ( -1.480 -5.839 -2.594) 6.558 51.777 ( -1.480 5.839 -2.594) 6.558 52.423 ( 2.471 -13.702 25.972) 29.469 52.423 ( 2.471 13.702 25.972) 29.469 52.955 ( 0.029 -12.923 -4.452) 13.668 52.955 ( 0.029 12.923 -4.452) 13.668 ======================= Grid point 107 (54/90) ======================= q-point: ( 0.07 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 7.618 -14.491 8.652) 18.517 1.206 ( 7.618 14.491 8.652) 18.517 1.365 ( 8.933 -14.572 13.260) 21.633 1.365 ( 8.933 14.572 13.260) 21.633 1.624 ( 10.136 -7.717 -5.354) 13.818 1.624 ( 10.136 7.717 -5.354) 13.818 1.827 ( 6.641 -4.500 -9.407) 12.362 1.827 ( 6.641 4.500 -9.407) 12.362 2.206 ( 6.433 -24.163 1.404) 25.044 2.206 ( 6.433 24.163 1.404) 25.044 2.356 ( 2.686 -4.352 1.033) 5.217 2.356 ( 2.686 4.352 1.033) 5.217 2.466 ( 8.829 -9.155 -0.374) 12.724 2.466 ( 8.829 9.155 -0.374) 12.724 2.589 ( 5.803 -4.729 -0.750) 7.523 2.589 ( 5.803 4.729 -0.750) 7.523 2.709 ( 3.135 -4.883 5.582) 8.052 2.709 ( 3.135 4.883 5.582) 8.052 2.754 ( 5.467 -4.819 4.181) 8.402 2.754 ( 5.467 4.819 4.181) 8.402 2.884 ( 4.969 -2.322 -0.445) 5.503 2.884 ( 4.969 2.322 -0.445) 5.503 2.945 ( 3.037 -1.060 -0.692) 3.290 2.945 ( 3.037 1.060 -0.692) 3.290 3.093 ( 7.642 -6.607 -5.686) 11.592 3.093 ( 7.642 6.607 -5.686) 11.592 3.230 ( 8.135 -1.597 -5.724) 10.075 3.230 ( 8.135 1.597 -5.724) 10.075 3.319 ( 0.767 -2.541 3.127) 4.101 3.319 ( 0.767 2.541 3.127) 4.101 3.466 ( 4.152 -3.647 -1.532) 5.734 3.466 ( 4.152 3.647 -1.532) 5.734 3.613 ( 3.109 -3.682 0.462) 4.841 3.613 ( 3.109 3.682 0.462) 4.841 3.699 ( 1.592 -4.359 -4.758) 6.647 3.699 ( 1.592 4.359 -4.758) 6.647 4.016 ( 0.832 -2.767 -0.926) 3.034 4.016 ( 0.832 2.767 -0.926) 3.034 4.374 ( -1.684 -0.921 -1.859) 2.672 4.374 ( -1.684 0.921 -1.859) 2.672 4.660 ( -2.379 -4.852 3.390) 6.379 4.660 ( -2.379 4.852 3.390) 6.379 4.740 ( -1.671 -4.062 0.984) 4.501 4.740 ( -1.671 4.062 0.984) 4.501 4.976 ( -3.027 -6.790 3.173) 8.083 4.976 ( -3.027 6.790 3.173) 8.083 5.174 ( -2.617 -8.001 -2.015) 8.656 5.174 ( -2.617 8.001 -2.015) 8.656 7.042 ( 3.444 -2.590 -1.420) 4.537 7.042 ( 3.444 2.590 -1.420) 4.537 7.093 ( -0.745 -3.735 -3.040) 4.873 7.093 ( -0.745 3.735 -3.040) 4.873 7.293 ( 2.422 -9.207 -0.596) 9.539 7.293 ( 2.422 9.207 -0.596) 9.539 7.663 ( 10.752 -6.127 -1.342) 12.448 7.663 ( 10.752 6.127 -1.342) 12.448 7.952 ( 1.662 -3.890 11.961) 12.687 7.952 ( 1.662 3.890 11.961) 12.687 8.250 ( 2.137 -5.512 0.798) 5.965 8.250 ( 2.137 5.512 0.798) 5.965 8.716 ( 4.386 -2.224 -4.589) 6.727 8.716 ( 4.386 2.224 -4.589) 6.727 8.855 ( 5.236 -1.628 -2.182) 5.901 8.855 ( 5.236 1.628 -2.182) 5.901 9.119 ( 2.763 -2.695 2.672) 4.694 9.119 ( 2.763 2.695 2.672) 4.694 9.417 ( 9.146 -3.264 1.279) 9.794 9.417 ( 9.146 3.264 1.279) 9.795 9.789 ( 3.591 -8.260 1.058) 9.069 9.789 ( 3.591 8.260 1.058) 9.069 9.870 ( 6.025 -0.969 0.242) 6.107 9.870 ( 6.025 0.969 0.242) 6.107 10.031 ( 5.161 -7.554 -4.003) 9.986 10.031 ( 5.161 7.554 -4.003) 9.986 10.196 ( 5.403 -4.495 -2.734) 7.541 10.196 ( 5.403 4.495 -2.734) 7.541 10.557 ( 3.779 -1.752 4.353) 6.025 10.557 ( 3.779 1.752 4.353) 6.025 10.820 ( 18.605 -6.234 -6.490) 20.667 10.820 ( 18.605 6.234 -6.490) 20.667 11.360 ( 0.077 -4.650 3.591) 5.876 11.360 ( 0.077 4.650 3.591) 5.876 11.601 ( 4.602 -6.583 -6.131) 10.105 11.601 ( 4.602 6.583 -6.131) 10.105 12.807 ( -2.177 -1.347 -1.250) 2.849 12.807 ( -2.177 1.347 -1.250) 2.849 13.026 ( 4.323 -6.477 -4.003) 8.756 13.026 ( 4.323 6.477 -4.003) 8.756 13.318 ( -9.252 -0.051 2.123) 9.492 13.318 ( -9.252 0.051 2.123) 9.492 13.634 ( -2.580 -7.164 -12.123) 14.316 13.634 ( -2.580 7.164 -12.123) 14.316 14.057 ( 1.658 -6.355 -0.314) 6.575 14.057 ( 1.658 6.355 -0.314) 6.575 14.255 ( -5.942 -1.918 -4.562) 7.733 14.255 ( -5.942 1.918 -4.562) 7.733 15.837 ( -11.455 -4.385 17.580) 21.436 15.837 ( -11.455 4.385 17.580) 21.436 16.176 ( -7.858 -3.215 -0.893) 8.537 16.176 ( -7.858 3.215 -0.893) 8.537 17.364 ( 0.582 -0.411 0.289) 0.769 17.364 ( 0.582 0.411 0.289) 0.769 17.430 ( 1.142 -0.757 -0.285) 1.399 17.430 ( 1.142 0.757 -0.285) 1.399 18.459 ( -0.495 -0.830 1.260) 1.588 18.459 ( -0.495 0.830 1.260) 1.588 18.476 ( -0.680 -0.258 -1.291) 1.482 18.476 ( -0.680 0.258 -1.291) 1.482 18.649 ( -0.470 -1.791 0.529) 1.925 18.649 ( -0.470 1.791 0.529) 1.925 18.710 ( 0.456 -2.394 -1.178) 2.707 18.710 ( 0.456 2.394 -1.178) 2.707 18.800 ( 1.848 -1.134 -0.119) 2.171 18.800 ( 1.848 1.134 -0.119) 2.171 19.045 ( 0.790 -0.256 -0.104) 0.837 19.045 ( 0.790 0.256 -0.104) 0.837 34.980 ( 0.052 -0.109 0.394) 0.412 34.980 ( 0.052 0.109 0.394) 0.412 35.017 ( 0.569 -0.511 -0.285) 0.816 35.017 ( 0.569 0.511 -0.285) 0.816 35.237 ( -0.653 -0.468 -0.039) 0.805 35.237 ( -0.653 0.468 -0.039) 0.805 35.260 ( -0.188 -0.128 -0.622) 0.662 35.260 ( -0.188 0.128 -0.622) 0.662 51.550 ( -1.379 -4.276 1.390) 4.703 51.550 ( -1.379 4.276 1.390) 4.703 51.759 ( -0.196 -3.848 -0.944) 3.967 51.759 ( -0.196 3.848 -0.944) 3.967 52.461 ( -5.724 -11.377 20.444) 24.087 52.461 ( -5.724 11.377 20.444) 24.087 52.848 ( -8.717 -12.526 -6.515) 16.593 52.848 ( -8.717 12.526 -6.515) 16.593 ======================= Grid point 109 (55/90) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 14.009 -10.612 7.282) 19.024 1.444 ( 14.009 10.612 7.282) 19.024 1.626 ( 12.598 -10.585 13.258) 21.131 1.626 ( 12.598 10.585 13.258) 21.131 1.893 ( 16.074 -7.727 -6.542) 18.996 1.893 ( 16.074 7.727 -6.542) 18.996 1.942 ( 10.294 -6.669 -11.157) 16.581 1.942 ( 10.294 6.669 -11.157) 16.581 2.321 ( 6.040 -11.085 -0.216) 12.625 2.321 ( 6.040 11.085 -0.216) 12.625 2.480 ( 8.143 -3.168 -0.554) 8.755 2.480 ( 8.143 3.168 -0.554) 8.755 2.677 ( 10.684 -1.409 -2.953) 11.173 2.677 ( 10.684 1.409 -2.953) 11.173 2.725 ( 8.914 -1.556 0.722) 9.077 2.725 ( 8.914 1.556 0.722) 9.077 2.823 ( 7.263 -6.732 4.167) 10.744 2.823 ( 7.263 6.732 4.167) 10.744 2.917 ( 7.469 -1.431 1.251) 7.708 2.917 ( 7.469 1.431 1.251) 7.708 3.001 ( 7.513 -0.867 2.943) 8.115 3.001 ( 7.513 0.868 2.943) 8.115 3.067 ( 8.788 -2.317 1.596) 9.227 3.067 ( 8.788 2.317 1.596) 9.227 3.278 ( 10.707 -4.880 -4.071) 12.451 3.278 ( 10.707 4.880 -4.071) 12.451 3.350 ( 3.967 -5.483 3.165) 7.471 3.350 ( 3.967 5.483 3.165) 7.471 3.393 ( 6.832 -7.641 0.596) 10.267 3.393 ( 6.832 7.641 0.596) 10.267 3.563 ( 5.231 -1.257 -1.921) 5.712 3.563 ( 5.231 1.257 -1.921) 5.712 3.713 ( 7.724 -4.275 -2.393) 9.147 3.713 ( 7.724 4.275 -2.393) 9.147 3.746 ( 5.243 -2.343 -3.349) 6.648 3.746 ( 5.243 2.343 -3.349) 6.648 4.047 ( 2.879 -2.018 -1.284) 3.743 4.047 ( 2.879 2.018 -1.284) 3.743 4.323 ( -2.692 -1.654 -2.495) 4.026 4.323 ( -2.692 1.654 -2.495) 4.026 4.610 ( -3.785 -3.343 3.028) 5.888 4.610 ( -3.785 3.343 3.028) 5.888 4.700 ( -1.943 -2.716 0.426) 3.366 4.700 ( -1.943 2.716 0.426) 3.366 4.914 ( -4.069 -4.697 3.434) 7.100 4.914 ( -4.069 4.697 3.434) 7.100 5.088 ( -5.228 -6.715 -2.187) 8.787 5.088 ( -5.228 6.715 -2.187) 8.787 7.090 ( 1.080 -3.953 -1.655) 4.419 7.090 ( 1.080 3.953 -1.655) 4.419 7.118 ( 4.684 -3.652 0.099) 5.940 7.118 ( 4.684 3.652 0.099) 5.940 7.359 ( 4.409 -9.045 0.280) 10.066 7.359 ( 4.409 9.045 0.280) 10.066 7.885 ( 11.024 -3.980 0.798) 11.748 7.885 ( 11.024 3.980 0.798) 11.748 8.049 ( 5.385 -4.737 2.129) 7.481 8.049 ( 5.385 4.737 2.129) 7.481 8.326 ( 5.256 -6.003 0.588) 8.001 8.326 ( 5.256 6.003 0.588) 8.001 8.756 ( 0.920 -2.951 -2.067) 3.719 8.756 ( 0.920 2.951 -2.067) 3.719 9.009 ( 10.591 -1.352 -2.753) 11.026 9.009 ( 10.591 1.352 -2.753) 11.026 9.203 ( 5.486 -0.886 1.596) 5.782 9.203 ( 5.486 0.886 1.596) 5.782 9.622 ( 9.168 -3.124 2.782) 10.077 9.622 ( 9.168 3.124 2.782) 10.077 9.868 ( 4.980 -3.796 1.074) 6.353 9.868 ( 4.980 3.796 1.074) 6.353 9.970 ( 5.252 -4.349 -4.378) 8.103 9.970 ( 5.252 4.349 -4.378) 8.103 10.202 ( 9.990 -5.411 -1.052) 11.410 10.202 ( 9.990 5.411 -1.052) 11.410 10.342 ( 8.867 -1.624 2.545) 9.367 10.342 ( 8.867 1.624 2.545) 9.367 10.657 ( 5.816 -0.929 1.719) 6.135 10.657 ( 5.816 0.929 1.719) 6.135 11.168 ( 13.629 -4.122 -4.535) 14.943 11.168 ( 13.629 4.122 -4.535) 14.943 11.395 ( 2.995 -1.943 3.177) 4.778 11.395 ( 2.995 1.943 3.177) 4.778 11.815 ( 20.323 -2.940 -2.776) 20.721 11.815 ( 20.323 2.940 -2.776) 20.721 12.768 ( -1.342 -2.089 -1.707) 3.013 12.768 ( -1.342 2.089 -1.707) 3.013 13.087 ( 1.227 -7.531 -1.096) 7.709 13.087 ( 1.227 7.531 -1.096) 7.709 13.156 ( -6.064 -2.709 3.348) 7.438 13.156 ( -6.064 2.709 3.348) 7.438 13.529 ( -3.904 -4.904 -12.458) 13.946 13.529 ( -3.904 4.904 -12.458) 13.946 14.049 ( -6.338 -2.764 4.091) 8.034 14.049 ( -6.338 2.764 4.091) 8.034 14.128 ( -1.667 -4.124 -3.779) 5.837 14.128 ( -1.667 4.124 -3.779) 5.837 15.625 ( -13.182 -3.109 10.618) 17.210 15.625 ( -13.182 3.109 10.618) 17.210 15.983 ( -10.739 -3.013 -1.285) 11.228 15.983 ( -10.739 3.013 -1.285) 11.228 17.380 ( 0.971 -0.287 -0.231) 1.038 17.380 ( 0.971 0.287 -0.231) 1.038 17.459 ( 1.837 -0.470 0.081) 1.898 17.459 ( 1.837 0.470 0.081) 1.898 18.445 ( -1.021 -0.621 0.272) 1.226 18.445 ( -1.021 0.621 0.272) 1.226 18.465 ( -0.288 -0.120 -0.250) 0.400 18.465 ( -0.288 0.120 -0.250) 0.400 18.638 ( -0.375 -0.744 -0.613) 1.035 18.638 ( -0.375 0.744 -0.613) 1.035 18.719 ( 0.309 -1.985 -0.173) 2.016 18.719 ( 0.309 1.985 -0.173) 2.016 18.830 ( 1.176 -0.980 0.253) 1.552 18.830 ( 1.176 0.980 0.253) 1.552 19.061 ( 0.855 -0.038 -0.169) 0.873 19.061 ( 0.855 0.038 -0.169) 0.873 34.985 ( 0.379 -0.199 -0.047) 0.430 34.985 ( 0.379 0.199 -0.047) 0.430 35.024 ( 0.037 -0.778 0.312) 0.839 35.024 ( 0.037 0.778 0.312) 0.839 35.226 ( -0.522 -0.527 0.277) 0.792 35.226 ( -0.522 0.527 0.277) 0.792 35.249 ( -0.681 -0.040 -0.611) 0.916 35.249 ( -0.681 0.040 -0.611) 0.916 51.519 ( -2.214 -3.242 1.399) 4.168 51.519 ( -2.214 3.242 1.399) 4.168 51.749 ( -0.920 -1.566 0.428) 1.866 51.749 ( -0.920 1.566 0.428) 1.866 52.344 ( -10.725 -6.340 13.082) 18.065 52.344 ( -10.725 6.340 13.082) 18.065 52.605 ( -12.799 -8.947 -8.008) 17.550 52.605 ( -12.799 8.947 -8.008) 17.550 ======================= Grid point 111 (56/90) ======================= q-point: ( 0.21 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 17.269 -5.473 4.009) 18.554 1.777 ( 17.269 5.473 4.009) 18.554 1.919 ( 13.955 -5.121 6.471) 16.212 1.919 ( 13.955 5.121 6.471) 16.212 2.106 ( 11.455 -1.614 -2.876) 11.921 2.106 ( 11.455 1.614 -2.876) 11.921 2.206 ( 13.868 -2.043 -6.715) 15.543 2.206 ( 13.868 2.043 -6.715) 15.543 2.493 ( 11.162 -3.420 0.056) 11.674 2.493 ( 11.162 3.420 0.056) 11.674 2.641 ( 8.612 -4.370 -0.522) 9.672 2.641 ( 8.612 4.370 -0.522) 9.672 2.816 ( 5.651 -6.199 0.702) 8.418 2.816 ( 5.651 6.199 0.702) 8.418 2.938 ( 10.449 -3.737 -3.068) 11.514 2.938 ( 10.449 3.737 -3.068) 11.514 2.982 ( 6.955 -3.572 2.492) 8.206 2.982 ( 6.955 3.572 2.492) 8.206 3.056 ( 7.766 -0.736 -0.771) 7.839 3.056 ( 7.766 0.736 -0.771) 7.839 3.157 ( 6.490 -1.998 0.403) 6.803 3.157 ( 6.490 1.998 0.403) 6.803 3.268 ( 9.935 -3.995 1.012) 10.755 3.268 ( 9.935 3.995 1.012) 10.755 3.384 ( 2.364 -3.772 2.579) 5.145 3.384 ( 2.364 3.772 2.579) 5.145 3.458 ( 5.495 -3.182 0.473) 6.367 3.458 ( 5.495 3.182 0.473) 6.367 3.564 ( 6.948 -5.211 1.294) 8.781 3.564 ( 6.948 5.211 1.294) 8.781 3.663 ( 6.470 -2.020 -1.434) 6.928 3.663 ( 6.470 2.020 -1.434) 6.928 3.852 ( 6.320 -4.118 2.926) 8.091 3.852 ( 6.320 4.118 2.926) 8.091 3.926 ( 12.793 -4.221 -4.146) 14.095 3.926 ( 12.794 4.221 -4.146) 14.095 4.109 ( 2.840 -1.975 -1.013) 3.605 4.109 ( 2.840 1.975 -1.013) 3.605 4.279 ( 0.680 -3.363 -4.307) 5.506 4.279 ( 0.680 3.363 -4.307) 5.506 4.537 ( -3.815 -2.662 1.798) 4.987 4.537 ( -3.815 2.662 1.798) 4.987 4.693 ( 1.140 -2.824 1.722) 3.499 4.693 ( 1.140 2.824 1.722) 3.499 4.843 ( -3.715 -2.196 0.781) 4.386 4.843 ( -3.715 2.196 0.781) 4.386 4.973 ( -4.995 -3.801 -1.067) 6.367 4.973 ( -4.995 3.801 -1.067) 6.367 7.125 ( 3.033 -3.908 -0.829) 5.016 7.125 ( 3.033 3.908 -0.829) 5.016 7.231 ( 6.405 -3.946 1.282) 7.632 7.231 ( 6.405 3.946 1.282) 7.632 7.457 ( 5.328 -6.859 -0.135) 8.686 7.457 ( 5.328 6.859 -0.135) 8.686 8.077 ( 6.648 -1.855 6.294) 9.340 8.077 ( 6.648 1.855 6.294) 9.340 8.165 ( 7.062 -4.077 -6.039) 10.147 8.165 ( 7.062 4.077 -6.039) 10.147 8.446 ( 6.714 -4.295 -0.657) 7.997 8.446 ( 6.714 4.295 -0.657) 7.997 8.776 ( 2.281 -2.681 -0.850) 3.621 8.776 ( 2.281 2.681 -0.850) 3.621 9.181 ( 6.366 -4.723 -1.782) 8.124 9.181 ( 6.366 4.723 -1.782) 8.124 9.370 ( 11.273 -6.111 0.526) 12.834 9.370 ( 11.273 6.111 0.526) 12.834 9.764 ( 4.600 -5.384 3.643) 7.963 9.764 ( 4.600 5.384 3.643) 7.963 9.991 ( 7.020 -0.094 -1.745) 7.235 9.991 ( 7.020 0.094 -1.745) 7.235 10.073 ( 6.195 -3.974 -1.679) 7.550 10.073 ( 6.195 3.974 -1.679) 7.550 10.349 ( 5.197 -0.923 -0.974) 5.368 10.349 ( 5.197 0.923 -0.974) 5.368 10.508 ( 6.257 -3.887 2.461) 7.766 10.508 ( 6.257 3.887 2.461) 7.766 10.791 ( 6.924 -3.801 2.974) 8.440 10.791 ( 6.924 3.801 2.974) 8.440 11.310 ( 3.928 -4.818 -3.794) 7.283 11.310 ( 3.928 4.818 -3.794) 7.283 11.532 ( 9.487 -3.156 0.898) 10.038 11.532 ( 9.487 3.156 0.898) 10.038 12.228 ( 14.484 -1.800 -0.600) 14.608 12.228 ( 14.484 1.800 -0.600) 14.608 12.741 ( 0.325 -3.850 4.093) 5.628 12.741 ( 0.325 3.850 4.093) 5.628 13.056 ( 1.043 -2.442 1.566) 3.083 13.056 ( 1.043 2.442 1.566) 3.083 13.169 ( 2.993 -2.924 -0.589) 4.226 13.169 ( 2.993 2.924 -0.589) 4.226 13.427 ( -1.729 -5.074 -12.946) 14.012 13.427 ( -1.729 5.074 -12.946) 14.012 13.882 ( -8.681 -1.957 3.209) 9.460 13.882 ( -8.681 1.957 3.209) 9.460 14.156 ( 3.038 -5.023 0.349) 5.880 14.156 ( 3.038 5.023 0.349) 5.880 15.422 ( -9.242 -1.265 4.598) 10.400 15.422 ( -9.242 1.265 4.598) 10.400 15.768 ( -10.324 -2.683 -0.852) 10.701 15.768 ( -10.324 2.683 -0.852) 10.701 17.402 ( 1.426 -0.221 -0.570) 1.551 17.402 ( 1.426 0.221 -0.570) 1.551 17.499 ( 2.007 -0.066 0.408) 2.049 17.499 ( 2.007 0.066 0.408) 2.049 18.427 ( -0.780 -0.420 -0.191) 0.906 18.427 ( -0.780 0.420 -0.191) 0.906 18.459 ( -0.312 -0.273 0.198) 0.459 18.459 ( -0.312 0.273 0.198) 0.459 18.634 ( 0.148 -0.417 -0.746) 0.867 18.634 ( 0.148 0.417 -0.746) 0.867 18.717 ( -0.525 -1.539 0.257) 1.646 18.717 ( -0.525 1.539 0.257) 1.646 18.849 ( 0.756 -0.716 0.283) 1.079 18.849 ( 0.756 0.716 0.283) 1.079 19.077 ( 0.749 -0.527 -0.080) 0.919 19.077 ( 0.749 0.527 -0.080) 0.919 34.992 ( 0.346 -0.136 -0.411) 0.554 34.992 ( 0.346 0.136 -0.411) 0.554 35.021 ( -0.436 -0.547 0.604) 0.924 35.021 ( -0.436 0.547 0.604) 0.924 35.218 ( -0.530 -0.338 0.551) 0.836 35.218 ( -0.530 0.338 0.551) 0.836 35.231 ( -0.956 -0.024 -0.574) 1.116 35.231 ( -0.956 0.024 -0.574) 1.116 51.473 ( -2.846 -1.461 1.360) 3.477 51.473 ( -2.846 1.461 1.360) 3.477 51.722 ( -2.145 -1.310 1.840) 3.115 51.722 ( -2.145 1.310 1.840) 3.115 52.145 ( -11.642 -2.650 4.567) 12.783 52.145 ( -11.642 2.650 4.567) 12.783 52.327 ( -12.951 -3.552 -5.437) 14.489 52.327 ( -12.951 3.552 -5.437) 14.489 ======================= Grid point 113 (57/90) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 15.617 -3.087 0.558) 15.929 2.114 ( 15.617 3.087 0.558) 15.929 2.207 ( 14.169 -2.717 -0.161) 14.428 2.207 ( 14.169 2.717 -0.161) 14.428 2.347 ( 12.553 -2.466 3.362) 13.227 2.347 ( 12.553 2.466 3.362) 13.227 2.429 ( 11.059 -3.874 -2.462) 11.973 2.429 ( 11.059 3.874 -2.462) 11.973 2.693 ( 8.209 -0.435 -0.134) 8.221 2.693 ( 8.209 0.435 -0.134) 8.221 2.819 ( 8.942 -3.235 -0.914) 9.553 2.819 ( 8.942 3.235 -0.914) 9.553 2.918 ( 4.590 -5.138 0.141) 6.891 2.918 ( 4.590 5.138 0.141) 6.891 3.062 ( 3.931 -1.932 0.706) 4.437 3.062 ( 3.931 1.932 0.706) 4.437 3.144 ( 7.060 -1.178 -0.131) 7.158 3.144 ( 7.060 1.178 -0.131) 7.158 3.186 ( 5.341 -1.229 1.305) 5.634 3.186 ( 5.341 1.229 1.305) 5.634 3.249 ( 3.651 -4.164 -1.934) 5.866 3.249 ( 3.651 4.164 -1.934) 5.866 3.416 ( 2.416 -2.888 0.373) 3.784 3.416 ( 2.416 2.888 0.373) 3.784 3.454 ( 7.030 -2.584 -0.348) 7.498 3.454 ( 7.030 2.584 -0.348) 7.498 3.559 ( 3.894 -1.167 2.587) 4.818 3.559 ( 3.894 1.167 2.587) 4.818 3.652 ( 3.482 -1.831 -2.204) 4.509 3.652 ( 3.482 1.831 -2.204) 4.509 3.776 ( 3.971 -2.759 -0.518) 4.863 3.776 ( 3.971 2.759 -0.518) 4.863 3.916 ( -1.014 -2.156 2.903) 3.756 3.916 ( -1.014 2.156 2.903) 3.756 4.098 ( 2.073 -3.007 -0.205) 3.658 4.098 ( 2.073 3.007 -0.205) 3.658 4.214 ( 9.426 -3.873 -0.818) 10.224 4.214 ( 9.426 3.873 -0.818) 10.224 4.341 ( 5.986 -2.327 -3.810) 7.468 4.341 ( 5.986 2.327 -3.810) 7.468 4.518 ( 2.730 -4.855 3.724) 6.701 4.518 ( 2.730 4.855 3.725) 6.701 4.691 ( -4.438 -0.285 0.012) 4.447 4.691 ( -4.438 0.285 0.012) 4.447 4.797 ( 1.398 -0.406 -2.328) 2.745 4.797 ( 1.398 0.406 -2.328) 2.745 4.964 ( 5.311 -0.723 0.454) 5.379 4.964 ( 5.311 0.723 0.454) 5.379 7.205 ( 5.284 -3.127 -1.465) 6.312 7.205 ( 5.284 3.127 -1.465) 6.312 7.363 ( 6.048 -5.065 2.301) 8.217 7.363 ( 6.048 5.065 2.301) 8.217 7.565 ( 5.679 -4.110 -0.281) 7.016 7.565 ( 5.679 4.110 -0.281) 7.016 8.173 ( 2.100 -1.138 2.036) 3.138 8.173 ( 2.100 1.138 2.036) 3.138 8.280 ( 5.244 -3.258 0.010) 6.174 8.280 ( 5.244 3.258 0.010) 6.174 8.579 ( 7.162 -1.155 -2.391) 7.639 8.579 ( 7.162 1.155 -2.391) 7.639 8.852 ( 5.557 -1.893 -0.535) 5.895 8.852 ( 5.557 1.893 -0.535) 5.895 9.261 ( 2.817 -3.046 -2.177) 4.685 9.261 ( 2.817 3.046 -2.177) 4.685 9.601 ( 10.974 -4.582 0.841) 11.922 9.601 ( 10.974 4.582 0.841) 11.922 9.839 ( 2.579 -5.462 1.988) 6.359 9.839 ( 2.579 5.462 1.987) 6.359 10.104 ( 4.056 -2.723 -1.215) 5.034 10.104 ( 4.056 2.723 -1.215) 5.034 10.210 ( 8.282 -3.779 0.909) 9.148 10.210 ( 8.282 3.779 0.909) 9.148 10.411 ( 1.721 -2.739 0.548) 3.281 10.411 ( 1.721 2.739 0.548) 3.281 10.609 ( 4.241 -5.959 -0.966) 7.377 10.609 ( 4.241 5.959 -0.966) 7.377 10.945 ( 7.746 -5.116 3.591) 9.954 10.945 ( 7.746 5.116 3.591) 9.954 11.358 ( 2.428 -5.949 -2.765) 6.995 11.358 ( 2.428 5.949 -2.765) 6.995 11.668 ( 2.394 -0.195 -0.614) 2.479 11.668 ( 2.394 0.195 -0.614) 2.479 12.202 ( -11.871 -0.943 0.457) 11.917 12.202 ( -11.871 0.943 0.457) 11.917 12.887 ( 8.529 -3.034 3.198) 9.601 12.887 ( 8.529 3.034 3.198) 9.601 13.108 ( 0.687 -5.975 0.802) 6.068 13.108 ( 0.687 5.975 0.802) 6.068 13.258 ( 6.038 -7.665 -1.595) 9.887 13.258 ( 6.038 7.665 -1.594) 9.887 13.448 ( 9.007 -5.687 -6.758) 12.615 13.448 ( 9.008 5.687 -6.758) 12.615 13.778 ( -1.784 -1.182 1.341) 2.525 13.778 ( -1.784 1.182 1.341) 2.525 14.228 ( 3.694 -3.235 1.288) 5.077 14.228 ( 3.694 3.235 1.288) 5.077 15.302 ( -3.833 -0.308 1.489) 4.124 15.302 ( -3.833 0.308 1.489) 4.124 15.589 ( -7.405 -2.106 -0.254) 7.703 15.589 ( -7.405 2.106 -0.254) 7.703 17.432 ( 1.705 -0.721 -0.474) 1.911 17.432 ( 1.705 0.721 -0.474) 1.911 17.537 ( 1.658 -0.101 0.322) 1.692 17.537 ( 1.658 0.101 0.322) 1.692 18.414 ( -0.504 -0.445 0.045) 0.674 18.414 ( -0.504 0.445 0.045) 0.674 18.454 ( -0.205 -0.108 -0.053) 0.237 18.454 ( -0.205 0.108 -0.053) 0.237 18.637 ( 0.328 -0.431 -0.736) 0.914 18.637 ( 0.328 0.431 -0.736) 0.914 18.701 ( -1.070 -1.059 0.563) 1.608 18.701 ( -1.070 1.059 0.563) 1.608 18.864 ( 0.708 -0.806 0.113) 1.079 18.864 ( 0.708 0.806 0.113) 1.079 19.091 ( 0.663 -1.032 0.036) 1.227 19.091 ( 0.663 1.032 0.036) 1.227 34.994 ( -0.069 -0.055 -0.501) 0.508 34.994 ( -0.069 0.055 -0.501) 0.508 35.013 ( -0.498 -0.163 0.566) 0.771 35.013 ( -0.498 0.163 0.566) 0.771 35.202 ( -1.136 -0.172 0.053) 1.151 35.202 ( -1.136 0.172 0.053) 1.151 35.217 ( -0.316 -0.085 0.051) 0.331 35.217 ( -0.316 0.085 0.051) 0.331 51.421 ( -2.734 -0.296 1.483) 3.124 51.421 ( -2.734 0.296 1.483) 3.124 51.678 ( -3.041 -2.138 2.538) 4.501 51.678 ( -3.041 2.138 2.538) 4.501 51.939 ( -9.361 -1.564 -1.576) 9.621 51.939 ( -9.361 1.564 -1.576) 9.621 52.073 ( -11.678 -0.526 -1.942) 11.850 52.073 ( -11.678 0.526 -1.942) 11.850 ======================= Grid point 115 (58/90) ======================= q-point: ( 0.36 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 11.844 -3.334 -0.868) 12.335 2.382 ( 11.844 3.334 -0.868) 12.335 2.463 ( 11.807 -4.305 -2.208) 12.760 2.463 ( 11.807 4.305 -2.208) 12.760 2.597 ( 11.400 -1.437 2.664) 11.795 2.597 ( 11.400 1.437 2.664) 11.795 2.643 ( 10.971 -1.808 1.472) 11.216 2.643 ( 10.971 1.808 1.472) 11.216 2.821 ( 5.108 -0.948 0.050) 5.196 2.821 ( 5.108 0.948 0.050) 5.196 2.939 ( 3.464 -0.577 -1.135) 3.691 2.939 ( 3.464 0.577 -1.135) 3.691 2.999 ( 3.170 -4.883 -0.021) 5.822 2.999 ( 3.170 4.883 -0.021) 5.822 3.109 ( 0.557 -1.027 1.714) 2.074 3.109 ( 0.557 1.027 1.714) 2.074 3.225 ( 0.815 -0.929 -0.295) 1.270 3.225 ( 0.815 0.929 -0.295) 1.270 3.253 ( 2.803 -4.016 2.337) 5.426 3.253 ( 2.803 4.016 2.337) 5.426 3.340 ( 5.187 -1.705 -3.242) 6.350 3.340 ( 5.187 1.705 -3.242) 6.350 3.435 ( 0.282 -2.501 1.429) 2.894 3.435 ( 0.282 2.501 1.429) 2.894 3.565 ( 2.268 -1.049 1.540) 2.935 3.565 ( 2.268 1.049 1.540) 2.935 3.608 ( 0.785 -2.828 -0.303) 2.950 3.608 ( 0.785 2.828 -0.303) 2.950 3.724 ( 4.800 -1.731 -4.775) 6.989 3.724 ( 4.801 1.731 -4.775) 6.989 3.767 ( -2.702 -1.418 -0.300) 3.066 3.767 ( -2.702 1.418 -0.300) 3.066 3.916 ( 0.511 -2.507 2.271) 3.421 3.916 ( 0.511 2.507 2.271) 3.421 4.094 ( -2.475 -4.550 2.253) 5.648 4.094 ( -2.475 4.550 2.253) 5.648 4.309 ( 2.312 -1.177 -1.675) 3.088 4.309 ( 2.312 1.177 -1.675) 3.088 4.477 ( 7.463 -1.523 -1.089) 7.695 4.477 ( 7.463 1.523 -1.089) 7.695 4.569 ( -5.079 -2.927 -2.424) 6.343 4.569 ( -5.079 2.927 -2.424) 6.343 4.668 ( 7.707 -8.045 3.613) 11.712 4.668 ( 7.707 8.045 3.613) 11.712 4.877 ( 6.377 -2.768 0.777) 6.995 4.877 ( 6.377 2.768 0.777) 6.995 5.126 ( 9.475 -2.797 -1.780) 10.039 5.126 ( 9.475 2.797 -1.780) 10.039 7.311 ( 5.909 -1.953 -4.099) 7.452 7.311 ( 5.909 1.953 -4.099) 7.452 7.467 ( 3.372 -5.172 4.029) 7.372 7.467 ( 3.372 5.172 4.029) 7.372 7.678 ( 5.682 -1.710 0.350) 5.944 7.678 ( 5.682 1.710 0.350) 5.944 8.186 ( -0.539 -2.692 0.108) 2.748 8.186 ( -0.539 2.692 0.108) 2.748 8.376 ( 4.194 -4.030 3.440) 6.758 8.376 ( 4.194 4.030 3.440) 6.758 8.699 ( 5.458 -1.489 -3.116) 6.459 8.699 ( 5.458 1.489 -3.115) 6.459 8.970 ( 5.738 -1.159 0.784) 5.906 8.970 ( 5.738 1.159 0.784) 5.906 9.283 ( 0.279 -0.964 -2.694) 2.875 9.283 ( 0.279 0.964 -2.694) 2.875 9.785 ( 7.417 -3.598 -0.899) 8.293 9.785 ( 7.417 3.598 -0.899) 8.293 9.895 ( 2.951 -5.735 1.686) 6.666 9.895 ( 2.951 5.735 1.686) 6.666 10.144 ( 0.526 -5.083 2.616) 5.741 10.144 ( 0.526 5.083 2.616) 5.741 10.373 ( 5.424 -0.970 0.490) 5.532 10.373 ( 5.425 0.970 0.490) 5.532 10.451 ( 4.260 -1.804 0.563) 4.660 10.451 ( 4.260 1.804 0.563) 4.660 10.679 ( 3.570 -2.872 -2.825) 5.383 10.679 ( 3.570 2.872 -2.825) 5.383 11.115 ( 8.371 -5.917 3.407) 10.802 11.115 ( 8.371 5.917 3.407) 10.802 11.384 ( 0.585 -7.267 -2.644) 7.755 11.384 ( 0.585 7.267 -2.644) 7.755 11.608 ( -7.235 -1.826 -0.641) 7.489 11.608 ( -7.235 1.826 -0.641) 7.489 11.946 ( -12.532 -2.430 0.795) 12.790 11.946 ( -12.532 2.430 0.795) 12.790 12.999 ( 2.895 -2.301 -0.148) 3.701 12.999 ( 2.895 2.301 -0.148) 3.701 13.101 ( -0.782 -4.943 1.733) 5.296 13.101 ( -0.782 4.943 1.733) 5.296 13.349 ( 4.539 -6.777 -3.566) 8.902 13.349 ( 4.539 6.777 -3.566) 8.902 13.611 ( 3.746 -4.441 1.737) 6.064 13.611 ( 3.746 4.441 1.737) 6.064 13.876 ( 11.811 -3.530 -2.402) 12.559 13.876 ( 11.811 3.530 -2.402) 12.559 14.290 ( 1.760 -1.505 1.138) 2.580 14.290 ( 1.760 1.505 1.138) 2.580 15.280 ( 1.034 -0.795 0.265) 1.331 15.280 ( 1.034 0.795 0.265) 1.331 15.485 ( -3.257 -1.329 0.261) 3.527 15.485 ( -3.257 1.329 0.261) 3.527 17.463 ( 1.542 -1.172 -0.181) 1.945 17.463 ( 1.542 1.172 -0.181) 1.945 17.564 ( 1.083 -0.140 0.045) 1.093 17.564 ( 1.083 0.140 0.045) 1.093 18.407 ( -0.329 -0.517 0.497) 0.789 18.407 ( -0.329 0.517 0.497) 0.789 18.451 ( 0.010 -0.254 -0.504) 0.564 18.451 ( 0.010 0.254 -0.504) 0.564 18.639 ( 0.091 -0.366 -0.855) 0.934 18.639 ( 0.091 0.366 -0.855) 0.934 18.683 ( -0.899 -0.537 0.877) 1.366 18.683 ( -0.899 0.537 0.877) 1.366 18.878 ( 0.667 -0.885 -0.099) 1.112 18.878 ( 0.667 0.885 -0.099) 1.112 19.103 ( 0.545 -1.341 0.162) 1.456 19.103 ( 0.545 1.341 0.162) 1.456 34.985 ( -0.781 -0.028 0.309) 0.840 34.985 ( -0.781 0.028 0.309) 0.840 35.007 ( -0.185 -0.273 -0.369) 0.495 35.007 ( -0.185 0.273 -0.369) 0.495 35.182 ( -0.791 -0.332 0.075) 0.861 35.182 ( -0.791 0.332 0.075) 0.861 35.213 ( -0.084 -0.206 0.075) 0.235 35.213 ( -0.084 0.206 0.075) 0.235 51.383 ( -1.440 -1.286 1.740) 2.598 51.383 ( -1.440 1.286 1.740) 2.598 51.618 ( -3.840 -2.236 2.111) 4.920 51.618 ( -3.840 2.236 2.111) 4.920 51.778 ( -6.297 -0.846 -3.207) 7.116 51.778 ( -6.297 0.846 -3.207) 7.116 51.867 ( -8.536 -0.247 -0.629) 8.562 51.867 ( -8.536 0.247 -0.629) 8.562 ======================= Grid point 117 (59/90) ======================= q-point: ( 0.43 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 7.692 -2.107 -0.261) 7.980 2.575 ( 7.692 2.107 -0.261) 7.980 2.643 ( 7.355 -3.298 -1.656) 8.230 2.643 ( 7.355 3.298 -1.656) 8.230 2.799 ( 8.260 -0.712 0.516) 8.307 2.799 ( 8.260 0.712 0.516) 8.307 2.847 ( 8.399 -0.823 0.645) 8.464 2.847 ( 8.399 0.823 0.645) 8.464 2.881 ( -0.051 -0.621 0.637) 0.890 2.881 ( -0.051 0.621 0.637) 0.890 2.974 ( 0.744 -1.508 -0.272) 1.703 2.974 ( 0.744 1.508 -0.272) 1.703 3.027 ( 0.676 -0.642 0.882) 1.283 3.027 ( 0.676 0.642 0.882) 1.283 3.120 ( 0.305 -1.090 1.481) 1.864 3.120 ( 0.305 1.090 1.481) 1.864 3.207 ( -1.253 -2.178 -0.375) 2.540 3.207 ( -1.253 2.178 -0.375) 2.540 3.314 ( 1.705 -1.225 0.622) 2.190 3.314 ( 1.705 1.225 0.622) 2.190 3.365 ( -2.070 -2.209 -1.772) 3.508 3.365 ( -2.070 2.209 -1.772) 3.508 3.457 ( 1.180 -2.952 1.058) 3.351 3.457 ( 1.180 2.952 1.058) 3.351 3.561 ( -1.163 -2.864 1.315) 3.359 3.561 ( -1.163 2.864 1.315) 3.359 3.614 ( 0.297 -1.612 0.263) 1.660 3.614 ( 0.297 1.612 0.263) 1.660 3.708 ( -0.624 -1.094 -2.161) 2.501 3.708 ( -0.624 1.094 -2.161) 2.501 3.813 ( 2.223 -2.744 -3.217) 4.777 3.813 ( 2.223 2.744 -3.217) 4.777 3.937 ( 0.736 -2.748 2.283) 3.647 3.937 ( 0.736 2.748 2.283) 3.647 4.035 ( -2.467 -4.363 1.178) 5.149 4.035 ( -2.467 4.363 1.178) 5.149 4.349 ( 2.210 -1.120 -1.261) 2.780 4.349 ( 2.210 1.120 -1.261) 2.780 4.470 ( -3.938 -4.436 -0.965) 6.010 4.470 ( -3.938 4.436 -0.965) 6.010 4.607 ( 4.893 -3.326 1.674) 6.148 4.607 ( 4.893 3.326 1.674) 6.148 4.791 ( 4.060 -5.719 -1.768) 7.233 4.791 ( 4.060 5.719 -1.768) 7.233 5.016 ( 5.747 -1.544 4.115) 7.235 5.016 ( 5.747 1.544 4.115) 7.235 5.277 ( 5.958 -2.886 -3.083) 7.302 5.277 ( 5.958 2.886 -3.083) 7.302 7.384 ( 2.528 -0.652 -6.756) 7.243 7.384 ( 2.528 0.652 -6.756) 7.243 7.533 ( 2.400 -4.078 5.619) 7.346 7.533 ( 2.400 4.079 5.619) 7.347 7.772 ( 3.085 -0.503 1.429) 3.437 7.772 ( 3.085 0.503 1.429) 3.437 8.179 ( 0.401 -2.293 0.117) 2.330 8.179 ( 0.401 2.293 0.117) 2.330 8.466 ( 3.670 -3.951 3.534) 6.447 8.466 ( 3.670 3.951 3.534) 6.447 8.760 ( 1.456 -1.565 -2.994) 3.678 8.760 ( 1.456 1.565 -2.994) 3.678 9.064 ( 3.137 -1.111 1.458) 3.633 9.064 ( 3.137 1.111 1.458) 3.633 9.267 ( -0.724 -1.742 -1.461) 2.386 9.267 ( -0.724 1.743 -1.461) 2.386 9.872 ( 1.910 -0.897 -2.878) 3.569 9.872 ( 1.910 0.897 -2.878) 3.569 9.962 ( 2.752 -3.982 1.039) 4.950 9.962 ( 2.752 3.981 1.039) 4.950 10.172 ( 1.731 -3.988 4.615) 6.340 10.172 ( 1.731 3.988 4.615) 6.340 10.405 ( 0.430 -1.686 -0.614) 1.845 10.405 ( 0.430 1.686 -0.614) 1.845 10.582 ( 5.520 -5.586 1.550) 8.005 10.582 ( 5.520 5.586 1.550) 8.005 10.734 ( 3.227 -4.437 -3.076) 6.290 10.734 ( 3.227 4.437 -3.076) 6.290 11.266 ( 2.204 -4.612 3.083) 5.969 11.266 ( 2.205 4.612 3.083) 5.969 11.341 ( -1.330 -3.734 -2.617) 4.749 11.341 ( -1.330 3.734 -2.617) 4.750 11.479 ( -3.325 -1.806 -0.322) 3.797 11.479 ( -3.325 1.806 -0.322) 3.797 11.742 ( -8.280 -2.870 0.042) 8.763 11.742 ( -8.280 2.870 0.042) 8.763 13.029 ( 0.787 -2.111 -0.583) 2.327 13.029 ( 0.787 2.111 -0.583) 2.327 13.094 ( -0.444 -3.408 0.975) 3.573 13.094 ( -0.444 3.408 0.975) 3.573 13.420 ( 3.192 -3.430 -0.715) 4.740 13.420 ( 3.192 3.430 -0.715) 4.740 13.640 ( 0.139 -1.878 0.106) 1.886 13.640 ( 0.139 1.878 0.106) 1.886 14.097 ( 9.500 -3.751 -1.755) 10.364 14.097 ( 9.500 3.751 -1.755) 10.364 14.296 ( -1.338 -0.438 0.468) 1.483 14.296 ( -1.338 0.438 0.468) 1.483 15.324 ( 2.655 -0.667 0.069) 2.739 15.324 ( 2.655 0.667 0.069) 2.739 15.452 ( -0.607 -0.975 0.332) 1.195 15.452 ( -0.607 0.975 0.332) 1.195 17.488 ( 0.971 -1.374 0.123) 1.687 17.488 ( 0.971 1.374 0.123) 1.687 17.579 ( 0.455 -0.437 -0.233) 0.673 17.579 ( 0.455 0.437 -0.233) 0.673 18.404 ( -0.248 -0.584 0.844) 1.055 18.404 ( -0.248 0.584 0.844) 1.055 18.451 ( 0.174 -0.401 -0.857) 0.962 18.451 ( 0.174 0.401 -0.857) 0.962 18.636 ( -0.099 -0.289 -0.684) 0.749 18.636 ( -0.099 0.289 -0.684) 0.749 18.673 ( -0.431 -0.332 0.789) 0.958 18.673 ( -0.431 0.332 0.789) 0.958 18.889 ( 0.447 -0.851 -0.235) 0.990 18.889 ( 0.447 0.851 -0.235) 0.990 19.112 ( 0.315 -1.374 0.277) 1.437 19.112 ( 0.315 1.374 0.277) 1.437 34.969 ( -0.969 -0.198 0.786) 1.263 34.969 ( -0.969 0.198 0.786) 1.263 35.004 ( 0.133 -0.498 -0.945) 1.076 35.004 ( 0.133 0.498 -0.945) 1.076 35.173 ( -0.216 -0.422 0.325) 0.575 35.173 ( -0.216 0.422 0.325) 0.575 35.212 ( -0.046 -0.295 -0.138) 0.329 35.212 ( -0.046 0.295 -0.138) 0.329 51.380 ( 0.465 -1.446 2.010) 2.519 51.380 ( 0.465 1.446 2.010) 2.519 51.541 ( -4.303 -1.413 1.385) 4.736 51.541 ( -4.303 1.413 1.385) 4.736 51.671 ( -3.436 -0.762 -2.903) 4.562 51.671 ( -3.436 0.762 -2.903) 4.562 51.747 ( -3.490 -0.757 -0.542) 3.612 51.747 ( -3.490 0.757 -0.542) 3.612 ======================= Grid point 121 (60/90) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 0.582 -0.769 -0.204) 0.985 2.658 ( 0.582 0.769 -0.204) 0.985 2.746 ( 0.001 -1.692 0.720) 1.839 2.746 ( 0.001 1.692 0.720) 1.839 2.822 ( -1.406 -1.547 -1.928) 2.844 2.822 ( -1.406 1.547 -1.928) 2.844 2.880 ( -1.134 -1.133 -0.197) 1.615 2.880 ( -1.134 1.133 -0.197) 1.615 2.936 ( 1.004 -1.456 -0.032) 1.769 2.936 ( 1.004 1.456 -0.032) 1.769 2.996 ( 0.422 -0.505 0.802) 1.038 2.996 ( 0.422 0.505 0.802) 1.038 3.047 ( -0.487 -1.848 0.500) 1.976 3.047 ( -0.488 1.848 0.500) 1.976 3.130 ( 0.408 -1.653 0.848) 1.902 3.130 ( 0.408 1.653 0.848) 1.902 3.191 ( -0.014 -0.770 1.524) 1.707 3.191 ( -0.014 0.770 1.524) 1.707 3.299 ( -1.855 -2.039 -1.534) 3.155 3.299 ( -1.856 2.039 -1.534) 3.155 3.348 ( 2.006 -0.755 1.156) 2.435 3.348 ( 2.006 0.755 1.156) 2.435 3.448 ( -1.050 -1.968 -1.846) 2.896 3.448 ( -1.050 1.969 -1.846) 2.896 3.566 ( -0.068 -1.534 2.468) 2.907 3.566 ( -0.068 1.534 2.468) 2.907 3.647 ( 2.388 -1.406 0.628) 2.841 3.647 ( 2.388 1.406 0.628) 2.842 3.691 ( -0.552 -1.051 -2.412) 2.688 3.691 ( -0.552 1.051 -2.412) 2.689 3.820 ( 0.586 -2.479 -2.211) 3.373 3.820 ( 0.586 2.479 -2.211) 3.373 3.911 ( -2.911 -2.211 3.664) 5.176 3.911 ( -2.911 2.211 3.664) 5.176 4.061 ( 3.338 -5.116 -1.986) 6.423 4.061 ( 3.338 5.116 -1.986) 6.423 4.369 ( -0.934 -3.099 -0.623) 3.296 4.369 ( -0.934 3.099 -0.623) 3.296 4.414 ( -0.658 -3.223 -0.263) 3.300 4.414 ( -0.658 3.223 -0.263) 3.300 4.667 ( 0.159 -5.215 3.244) 6.144 4.667 ( 0.159 5.215 3.244) 6.144 4.817 ( -0.223 -3.906 -3.925) 5.542 4.817 ( -0.223 3.906 -3.924) 5.542 5.095 ( 0.505 -0.922 5.355) 5.458 5.095 ( 0.505 0.922 5.355) 5.458 5.324 ( -0.227 -2.236 -3.945) 4.541 5.324 ( -0.227 2.236 -3.945) 4.541 7.364 ( -2.329 -2.499 -4.932) 5.999 7.364 ( -2.329 2.499 -4.932) 5.999 7.600 ( 2.696 -2.317 3.383) 4.907 7.600 ( 2.696 2.317 3.383) 4.907 7.795 ( -1.352 -0.857 1.868) 2.460 7.795 ( -1.352 0.857 1.868) 2.460 8.211 ( 2.514 -1.617 0.039) 2.989 8.211 ( 2.514 1.617 0.039) 2.989 8.528 ( 0.900 -2.019 4.316) 4.849 8.528 ( 0.900 2.019 4.316) 4.849 8.741 ( -1.820 -0.239 -3.556) 4.002 8.741 ( -1.820 0.239 -3.556) 4.002 9.090 ( -0.904 -0.732 0.893) 1.466 9.090 ( -0.904 0.732 0.893) 1.466 9.266 ( 0.909 -2.321 -0.075) 2.494 9.266 ( 0.909 2.321 -0.075) 2.494 9.861 ( -1.713 -4.665 -0.620) 5.008 9.861 ( -1.713 4.665 -0.620) 5.008 9.999 ( 1.557 -0.995 -3.195) 3.691 9.999 ( 1.557 0.995 -3.195) 3.691 10.213 ( -0.579 -3.053 6.278) 7.005 10.213 ( -0.579 3.054 6.278) 7.005 10.418 ( 1.148 -0.432 -1.341) 1.818 10.418 ( 1.148 0.432 -1.341) 1.818 10.615 ( -2.683 -8.714 1.863) 9.306 10.615 ( -2.683 8.714 1.863) 9.306 10.790 ( 2.419 -6.243 -2.946) 7.315 10.790 ( 2.419 6.243 -2.946) 7.315 11.209 ( -0.754 -2.506 1.656) 3.097 11.209 ( -0.754 2.507 1.656) 3.098 11.358 ( -2.077 -5.550 -3.350) 6.807 11.358 ( -2.078 5.550 -3.350) 6.807 11.507 ( 5.131 -1.250 3.162) 6.155 11.507 ( 5.131 1.250 3.162) 6.155 11.625 ( -2.883 -3.504 -1.521) 4.786 11.625 ( -2.883 3.504 -1.521) 4.786 13.035 ( -0.075 -0.650 -0.197) 0.684 13.035 ( -0.075 0.651 -0.197) 0.684 13.092 ( 0.255 -0.998 0.295) 1.071 13.092 ( 0.255 0.998 0.295) 1.072 13.458 ( 0.355 -1.677 0.816) 1.899 13.458 ( 0.355 1.677 0.816) 1.899 13.634 ( -0.432 -1.291 -1.251) 1.849 13.634 ( -0.432 1.291 -1.251) 1.849 14.223 ( 2.705 -1.483 -0.639) 3.151 14.223 ( 2.705 1.483 -0.639) 3.151 14.247 ( -2.413 -2.163 -0.561) 3.289 14.247 ( -2.413 2.163 -0.561) 3.289 15.354 ( -0.260 -0.780 0.365) 0.900 15.354 ( -0.260 0.780 0.365) 0.900 15.447 ( -0.121 -0.981 0.019) 0.989 15.447 ( -0.121 0.981 0.019) 0.989 17.500 ( 0.157 -1.071 0.279) 1.118 17.500 ( 0.157 1.071 0.279) 1.118 17.581 ( -0.138 -0.472 -0.374) 0.618 17.581 ( -0.138 0.472 -0.374) 0.618 18.402 ( -0.187 -0.649 0.939) 1.157 18.402 ( -0.187 0.649 0.939) 1.157 18.452 ( 0.202 -0.314 -0.961) 1.031 18.452 ( 0.202 0.314 -0.961) 1.031 18.634 ( 0.112 -0.166 -0.481) 0.521 18.634 ( 0.112 0.166 -0.481) 0.521 18.670 ( -0.129 -0.174 0.607) 0.644 18.670 ( -0.129 0.174 0.607) 0.644 18.893 ( 0.041 -0.706 -0.273) 0.758 18.893 ( 0.041 0.706 -0.273) 0.758 19.116 ( -0.039 -1.161 0.324) 1.206 19.116 ( -0.039 1.161 0.324) 1.206 34.956 ( -0.504 -0.424 0.728) 0.982 34.956 ( -0.504 0.424 0.728) 0.982 35.006 ( 0.420 -0.440 -0.921) 1.103 35.006 ( 0.420 0.440 -0.921) 1.104 35.174 ( 0.119 -0.440 0.507) 0.682 35.174 ( 0.119 0.440 0.507) 0.682 35.210 ( -0.071 -0.329 -0.308) 0.456 35.210 ( -0.071 0.329 -0.308) 0.456 51.391 ( -0.947 -0.871 2.158) 2.513 51.391 ( -0.947 0.871 2.158) 2.513 51.495 ( 0.552 -1.543 1.360) 2.129 51.495 ( 0.552 1.543 1.360) 2.129 51.632 ( 0.485 -0.352 -3.199) 3.255 51.632 ( 0.485 0.352 -3.199) 3.255 51.713 ( -0.156 -0.888 -0.367) 0.973 51.713 ( -0.156 0.888 -0.367) 0.973 ======================= Grid point 123 (61/90) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -10.348 -2.295 -0.425) 10.608 2.561 ( -10.348 2.295 -0.425) 10.608 2.660 ( -4.646 -2.447 -1.503) 5.462 2.660 ( -4.646 2.447 -1.503) 5.462 2.767 ( -8.068 -1.102 1.139) 8.223 2.767 ( -8.068 1.102 1.139) 8.223 2.814 ( -6.273 -0.439 -0.227) 6.292 2.814 ( -6.273 0.439 -0.227) 6.292 2.906 ( -3.904 -0.902 0.540) 4.043 2.906 ( -3.904 0.902 0.540) 4.043 2.994 ( 2.025 -1.133 0.916) 2.494 2.994 ( 2.025 1.133 0.916) 2.494 3.029 ( -0.871 -1.612 0.545) 1.912 3.029 ( -0.871 1.612 0.545) 1.912 3.119 ( -1.427 -1.015 0.180) 1.761 3.119 ( -1.427 1.015 0.180) 1.761 3.223 ( 0.985 -0.920 -0.420) 1.412 3.223 ( 0.985 0.920 -0.420) 1.412 3.260 ( -2.029 -1.077 1.110) 2.551 3.260 ( -2.029 1.077 1.110) 2.551 3.395 ( 0.422 -4.241 -0.951) 4.366 3.395 ( 0.422 4.241 -0.951) 4.366 3.449 ( 1.221 -0.275 0.706) 1.437 3.449 ( 1.221 0.275 0.706) 1.437 3.561 ( -0.405 -0.933 0.374) 1.084 3.561 ( -0.405 0.933 0.374) 1.084 3.634 ( -1.619 -2.884 1.060) 3.473 3.634 ( -1.619 2.884 1.060) 3.473 3.713 ( 1.544 -3.709 -2.750) 4.869 3.713 ( 1.544 3.709 -2.750) 4.869 3.822 ( -0.438 -3.881 -2.011) 4.393 3.822 ( -0.437 3.881 -2.011) 4.393 3.911 ( 2.718 -0.927 1.060) 3.061 3.911 ( 2.717 0.927 1.060) 3.061 4.093 ( -0.925 -4.744 2.546) 5.463 4.093 ( -0.925 4.744 2.546) 5.463 4.342 ( 0.438 -4.167 -2.690) 4.979 4.342 ( 0.438 4.167 -2.690) 4.979 4.418 ( -0.108 -0.579 0.359) 0.689 4.418 ( -0.108 0.579 0.359) 0.689 4.618 ( -5.977 -2.260 0.716) 6.430 4.618 ( -5.977 2.260 0.716) 6.430 4.784 ( -1.477 -4.873 -1.194) 5.230 4.784 ( -1.477 4.873 -1.194) 5.230 5.064 ( -5.213 -2.221 5.336) 7.783 5.064 ( -5.213 2.221 5.336) 7.783 5.243 ( -6.564 -1.943 -4.531) 8.209 5.243 ( -6.564 1.943 -4.531) 8.209 7.281 ( -4.464 -4.275 -2.910) 6.831 7.281 ( -4.464 4.275 -2.910) 6.832 7.646 ( 0.820 -1.913 1.412) 2.515 7.646 ( 0.820 1.913 1.412) 2.516 7.738 ( -4.609 -1.127 1.641) 5.021 7.738 ( -4.609 1.127 1.641) 5.021 8.254 ( 1.299 -2.606 -0.043) 2.912 8.254 ( 1.299 2.606 -0.043) 2.912 8.506 ( -4.575 -1.090 5.643) 7.346 8.506 ( -4.575 1.090 5.643) 7.346 8.702 ( -0.394 -1.835 -4.869) 5.218 8.702 ( -0.394 1.835 -4.868) 5.218 9.036 ( -4.884 -1.835 1.494) 5.427 9.036 ( -4.884 1.835 1.494) 5.427 9.291 ( 1.689 -2.119 -1.571) 3.132 9.291 ( 1.689 2.119 -1.571) 3.132 9.821 ( -1.997 -5.315 -0.688) 5.719 9.821 ( -1.997 5.315 -0.688) 5.719 10.013 ( 0.779 -1.992 -2.556) 3.333 10.013 ( 0.779 1.992 -2.556) 3.333 10.165 ( -6.061 -2.510 6.354) 9.133 10.165 ( -6.061 2.510 6.354) 9.133 10.423 ( -0.644 -1.397 -0.612) 1.655 10.423 ( -0.644 1.397 -0.612) 1.655 10.524 ( -5.924 -5.116 0.581) 7.849 10.524 ( -5.924 5.116 0.581) 7.849 10.781 ( -2.269 -4.862 -2.503) 5.920 10.781 ( -2.269 4.862 -2.503) 5.921 11.200 ( -5.093 -0.721 1.896) 5.482 11.200 ( -5.093 0.721 1.896) 5.482 11.372 ( 6.643 -1.039 -1.417) 6.872 11.372 ( 6.643 1.040 -1.417) 6.871 11.547 ( 0.560 -2.788 -0.091) 2.845 11.547 ( 0.560 2.788 -0.091) 2.845 11.696 ( 8.628 -1.004 0.003) 8.686 11.696 ( 8.628 1.005 0.003) 8.686 13.023 ( -0.936 -1.024 -0.458) 1.461 13.023 ( -0.936 1.024 -0.458) 1.461 13.104 ( 0.427 -4.491 0.856) 4.592 13.104 ( 0.427 4.491 0.856) 4.592 13.445 ( -1.351 -1.596 -0.756) 2.223 13.445 ( -1.351 1.596 -0.756) 2.223 13.609 ( -2.237 -2.875 0.075) 3.644 13.609 ( -2.237 2.875 0.075) 3.644 14.120 ( -7.930 -2.257 -1.893) 8.459 14.120 ( -7.930 2.257 -1.893) 8.459 14.281 ( 1.017 -2.459 0.670) 2.744 14.281 ( 1.017 2.459 0.670) 2.744 15.315 ( -3.194 -0.397 0.069) 3.220 15.315 ( -3.194 0.397 0.069) 3.220 15.449 ( 0.394 -0.519 0.333) 0.732 15.449 ( 0.394 0.520 0.333) 0.732 17.495 ( -0.754 -0.277 0.156) 0.818 17.495 ( -0.754 0.277 0.156) 0.818 17.572 ( -0.644 -0.163 -0.266) 0.716 17.572 ( -0.644 0.163 -0.266) 0.716 18.402 ( -0.139 -0.795 0.768) 1.114 18.402 ( -0.139 0.795 0.768) 1.114 18.453 ( 0.235 -0.147 -0.779) 0.827 18.453 ( 0.235 0.148 -0.779) 0.827 18.636 ( 0.214 -0.065 -0.692) 0.728 18.636 ( 0.214 0.065 -0.692) 0.728 18.673 ( 0.314 -0.499 0.796) 0.991 18.673 ( 0.314 0.499 0.796) 0.991 18.888 ( -0.397 -0.452 -0.235) 0.646 18.888 ( -0.397 0.452 -0.235) 0.646 19.112 ( -0.404 -0.760 0.276) 0.904 19.112 ( -0.404 0.760 0.276) 0.904 34.954 ( 0.064 -0.577 0.409) 0.711 34.954 ( 0.064 0.577 0.409) 0.711 35.015 ( 0.651 -0.187 -0.566) 0.883 35.015 ( 0.651 0.187 -0.566) 0.883 35.179 ( 0.252 -0.382 0.433) 0.630 35.179 ( 0.252 0.382 0.433) 0.630 35.209 ( 0.065 -0.292 -0.248) 0.389 35.209 ( 0.065 0.292 -0.248) 0.389 51.372 ( -0.725 -1.327 1.972) 2.485 51.372 ( -0.725 1.327 1.972) 2.485 51.545 ( 2.647 -1.927 1.270) 3.511 51.545 ( 2.647 1.927 1.270) 3.511 51.677 ( 4.759 -1.099 -2.707) 5.584 51.677 ( 4.759 1.099 -2.707) 5.584 51.741 ( 3.827 -0.408 -0.586) 3.893 51.741 ( 3.827 0.408 -0.586) 3.893 ======================= Grid point 125 (62/90) ======================= q-point: (-0.36 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -14.256 -2.800 -0.788) 14.550 2.312 ( -14.256 2.800 -0.788) 14.550 2.478 ( -14.323 -2.189 -1.276) 14.546 2.478 ( -14.323 2.189 -1.276) 14.546 2.597 ( -7.541 -2.233 2.360) 8.211 2.597 ( -7.541 2.233 2.360) 8.211 2.676 ( -7.801 -1.526 0.056) 7.949 2.676 ( -7.801 1.526 0.056) 7.949 2.806 ( -6.058 -0.605 0.444) 6.104 2.806 ( -6.058 0.605 0.444) 6.104 2.974 ( -3.475 -2.651 0.229) 4.377 2.974 ( -3.475 2.651 0.229) 4.377 3.011 ( -4.169 -4.672 -0.896) 6.325 3.011 ( -4.169 4.672 -0.896) 6.325 3.111 ( 0.351 -2.760 0.848) 2.909 3.111 ( 0.351 2.760 0.848) 2.909 3.179 ( -4.749 -0.297 0.673) 4.806 3.179 ( -4.749 0.297 0.673) 4.806 3.235 ( -1.508 -1.192 1.226) 2.280 3.235 ( -1.508 1.192 1.226) 2.280 3.365 ( -2.088 -4.377 -2.320) 5.376 3.365 ( -2.088 4.377 -2.320) 5.376 3.436 ( -2.807 -0.397 1.293) 3.116 3.436 ( -2.807 0.397 1.293) 3.116 3.541 ( -1.710 -1.488 0.365) 2.295 3.541 ( -1.710 1.488 0.365) 2.295 3.631 ( -1.046 -0.793 0.462) 1.391 3.631 ( -1.046 0.793 0.462) 1.391 3.727 ( 1.110 -3.841 -2.559) 4.747 3.727 ( 1.110 3.841 -2.559) 4.747 3.800 ( -0.748 -1.369 -2.769) 3.178 3.800 ( -0.748 1.369 -2.769) 3.178 3.962 ( -1.313 -2.620 2.822) 4.068 3.962 ( -1.313 2.620 2.822) 4.068 4.053 ( -1.087 -2.038 2.798) 3.628 4.053 ( -1.087 2.038 2.798) 3.628 4.360 ( -4.662 -1.309 -3.337) 5.881 4.360 ( -4.662 1.309 -3.337) 5.881 4.398 ( 1.869 -2.236 0.952) 3.066 4.398 ( 1.869 2.236 0.952) 3.066 4.486 ( -3.880 -2.112 -1.468) 4.655 4.486 ( -3.880 2.112 -1.468) 4.655 4.777 ( 1.085 -4.898 1.350) 5.195 4.777 ( 1.085 4.898 1.350) 5.196 4.936 ( -8.703 -1.778 4.074) 9.772 4.936 ( -8.703 1.778 4.074) 9.772 5.050 ( -11.155 -2.198 -4.529) 12.239 5.050 ( -11.155 2.198 -4.529) 12.239 7.188 ( -4.024 -4.511 -1.464) 6.220 7.188 ( -4.024 4.511 -1.464) 6.220 7.594 ( -7.083 -2.045 0.689) 7.405 7.594 ( -7.083 2.045 0.689) 7.405 7.662 ( -3.133 -2.365 1.095) 4.075 7.662 ( -3.133 2.365 1.095) 4.075 8.244 ( -2.542 -2.327 0.065) 3.447 8.244 ( -2.542 2.328 0.065) 3.447 8.420 ( -4.975 -2.716 4.171) 7.038 8.420 ( -4.975 2.716 4.171) 7.038 8.681 ( -0.874 -1.378 -4.121) 4.432 8.681 ( -0.874 1.378 -4.121) 4.432 8.919 ( -6.962 -2.128 0.898) 7.335 8.919 ( -6.962 2.128 0.898) 7.335 9.310 ( 0.489 -1.784 -2.554) 3.153 9.310 ( 0.489 1.784 -2.554) 3.153 9.782 ( -1.783 -4.037 0.119) 4.414 9.782 ( -1.783 4.037 0.119) 4.414 9.939 ( -10.119 -2.112 -0.762) 10.366 9.939 ( -10.119 2.112 -0.762) 10.366 10.093 ( -0.739 -5.579 4.230) 7.040 10.093 ( -0.738 5.579 4.230) 7.040 10.364 ( -6.202 -3.144 0.305) 6.960 10.365 ( -6.202 3.144 0.305) 6.960 10.433 ( -2.312 -4.427 0.355) 5.007 10.433 ( -2.312 4.427 0.355) 5.007 10.700 ( -4.817 -0.864 -2.779) 5.628 10.700 ( -4.817 0.864 -2.779) 5.628 11.077 ( -7.292 -1.312 3.153) 8.052 11.077 ( -7.292 1.312 3.153) 8.052 11.416 ( -1.504 -6.922 -2.231) 7.427 11.416 ( -1.504 6.922 -2.231) 7.427 11.651 ( 7.020 -0.905 -0.874) 7.132 11.651 ( 7.020 0.905 -0.874) 7.132 11.913 ( 13.793 -3.066 1.057) 14.169 11.913 ( 13.793 3.066 1.057) 14.169 12.991 ( -2.858 -0.349 -0.045) 2.879 12.991 ( -2.858 0.349 -0.045) 2.879 13.101 ( -1.277 -4.459 1.421) 4.851 13.101 ( -1.277 4.459 1.421) 4.851 13.403 ( -2.306 -2.343 -4.792) 5.812 13.403 ( -2.306 2.343 -4.792) 5.812 13.535 ( -5.996 -4.026 2.816) 7.752 13.535 ( -5.996 4.026 2.816) 7.752 13.937 ( -8.246 -4.517 -2.411) 9.706 13.937 ( -8.246 4.517 -2.411) 9.707 14.274 ( -2.079 -2.694 1.513) 3.724 14.274 ( -2.079 2.694 1.513) 3.724 15.258 ( -1.960 -0.680 0.233) 2.087 15.258 ( -1.960 0.680 0.233) 2.087 15.479 ( 3.082 -0.590 0.281) 3.151 15.479 ( 3.082 0.590 0.281) 3.151 17.472 ( -1.547 -0.484 -0.203) 1.634 17.472 ( -1.547 0.484 -0.203) 1.634 17.555 ( -1.059 -0.082 0.067) 1.065 17.555 ( -1.059 0.082 0.067) 1.065 18.401 ( -0.080 -0.931 0.385) 1.011 18.401 ( -0.080 0.931 0.385) 1.011 18.458 ( 0.387 -0.423 -0.391) 0.694 18.458 ( 0.387 0.423 -0.391) 0.694 18.637 ( 0.133 -0.472 -0.781) 0.922 18.637 ( 0.133 0.472 -0.781) 0.922 18.686 ( 0.741 -0.606 0.807) 1.252 18.686 ( 0.741 0.606 0.807) 1.252 18.877 ( -0.668 -0.112 -0.104) 0.686 18.877 ( -0.668 0.112 -0.104) 0.686 19.103 ( -0.642 -0.231 0.163) 0.701 19.103 ( -0.642 0.231 0.163) 0.701 34.959 ( 0.289 -0.586 0.041) 0.654 34.959 ( 0.289 0.586 0.041) 0.654 35.027 ( 0.693 -0.294 -0.084) 0.758 35.027 ( 0.693 0.294 -0.084) 0.758 35.186 ( 0.370 -0.219 0.106) 0.443 35.186 ( 0.370 0.219 0.106) 0.443 35.214 ( 0.456 -0.143 0.028) 0.479 35.214 ( 0.456 0.143 0.028) 0.479 51.386 ( 1.529 -0.908 1.906) 2.607 51.386 ( 1.529 0.908 1.906) 2.607 51.599 ( 2.851 -1.600 1.654) 3.664 51.599 ( 2.851 1.600 1.654) 3.664 51.756 ( 4.022 -1.499 -2.659) 5.049 51.756 ( 4.022 1.499 -2.659) 5.049 51.891 ( 10.990 -1.736 -0.886) 11.162 51.891 ( 10.990 1.736 -0.886) 11.162 ======================= Grid point 127 (63/90) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -16.403 -5.056 0.248) 17.167 2.008 ( -16.403 5.056 0.248) 17.167 2.148 ( -18.499 -4.573 0.967) 19.081 2.148 ( -18.499 4.573 0.967) 19.081 2.455 ( -8.345 -3.152 1.866) 9.113 2.455 ( -8.345 3.152 1.866) 9.113 2.512 ( -8.014 -0.251 -1.948) 8.252 2.512 ( -8.014 0.251 -1.948) 8.252 2.669 ( -8.069 -1.230 -0.356) 8.170 2.669 ( -8.069 1.230 -0.356) 8.170 2.855 ( -10.345 -3.087 0.134) 10.796 2.855 ( -10.345 3.087 0.134) 10.796 2.896 ( -5.121 -1.841 -0.677) 5.484 2.896 ( -5.121 1.841 -0.677) 5.484 3.013 ( -8.699 -1.462 0.487) 8.835 3.013 ( -8.699 1.462 0.487) 8.835 3.097 ( -5.125 -2.387 0.161) 5.656 3.097 ( -5.125 2.387 0.161) 5.656 3.205 ( -2.552 -1.479 1.370) 3.252 3.205 ( -2.552 1.479 1.370) 3.252 3.317 ( -2.212 -5.629 -2.687) 6.618 3.317 ( -2.212 5.629 -2.687) 6.618 3.370 ( -4.204 -0.714 0.745) 4.328 3.370 ( -4.204 0.714 0.745) 4.328 3.485 ( -4.315 -2.539 0.026) 5.006 3.485 ( -4.315 2.539 0.026) 5.006 3.587 ( -3.534 -2.381 1.577) 4.544 3.587 ( -3.534 2.381 1.577) 4.544 3.686 ( -6.096 -1.293 0.293) 6.238 3.686 ( -6.096 1.293 0.293) 6.238 3.724 ( -6.779 -3.579 -2.480) 8.057 3.724 ( -6.779 3.579 -2.480) 8.057 3.887 ( -4.681 -2.930 3.808) 6.708 3.887 ( -4.681 2.930 3.808) 6.708 4.102 ( 3.405 -3.546 -0.986) 5.014 4.102 ( 3.405 3.546 -0.986) 5.014 4.175 ( -8.870 -1.750 -0.859) 9.082 4.175 ( -8.870 1.750 -0.859) 9.082 4.428 ( 0.669 -0.820 -4.803) 4.918 4.428 ( 0.669 0.820 -4.803) 4.918 4.521 ( 4.063 -0.234 4.996) 6.444 4.521 ( 4.063 0.234 4.996) 6.444 4.739 ( -10.622 -4.160 -1.229) 11.473 4.739 ( -10.622 4.160 -1.229) 11.473 4.818 ( -4.665 -2.681 -1.242) 5.522 4.818 ( -4.665 2.681 -1.242) 5.522 4.866 ( 1.696 -1.003 0.752) 2.109 4.866 ( 1.696 1.003 0.752) 2.109 7.125 ( -1.861 -4.271 -0.514) 4.687 7.125 ( -1.861 4.271 -0.514) 4.687 7.425 ( -9.655 -1.939 0.781) 9.879 7.425 ( -9.655 1.939 0.781) 9.879 7.576 ( -6.076 -4.733 0.521) 7.719 7.576 ( -6.076 4.733 0.521) 7.719 8.160 ( -6.044 -1.444 1.159) 6.321 8.160 ( -6.044 1.444 1.159) 6.321 8.339 ( -4.256 -3.294 0.323) 5.391 8.339 ( -4.256 3.294 0.323) 5.391 8.633 ( -3.090 -0.306 -2.120) 3.759 8.633 ( -3.090 0.306 -2.120) 3.759 8.792 ( -5.382 -2.418 -0.536) 5.924 8.792 ( -5.382 2.418 -0.536) 5.924 9.282 ( -2.983 -3.973 -2.121) 5.402 9.282 ( -2.983 3.973 -2.121) 5.402 9.676 ( -14.880 -3.906 0.589) 15.395 9.676 ( -14.880 3.906 0.589) 15.395 9.756 ( -1.652 -3.343 1.995) 4.229 9.756 ( -1.652 3.343 1.995) 4.229 10.081 ( -2.988 -4.145 -1.077) 5.222 10.081 ( -2.988 4.145 -1.077) 5.222 10.228 ( -6.660 -5.652 1.066) 8.800 10.228 ( -6.660 5.652 1.066) 8.800 10.405 ( -1.348 -5.739 0.743) 5.942 10.405 ( -1.348 5.739 0.743) 5.942 10.589 ( -5.553 -2.809 -1.178) 6.334 10.589 ( -5.553 2.809 -1.178) 6.334 10.938 ( -8.112 -4.381 3.465) 9.849 10.938 ( -8.112 4.381 3.465) 9.849 11.363 ( -2.668 -7.178 -2.647) 8.102 11.363 ( -2.668 7.178 -2.647) 8.102 11.704 ( -1.914 -2.615 -0.695) 3.315 11.704 ( -1.914 2.615 -0.695) 3.315 12.209 ( 13.469 -2.755 0.440) 13.755 12.209 ( 13.469 2.755 0.440) 13.755 12.860 ( -11.010 -2.550 3.375) 11.794 12.860 ( -11.010 2.550 3.375) 11.794 13.074 ( -1.390 -2.264 -0.647) 2.734 13.074 ( -1.390 2.264 -0.647) 2.734 13.273 ( -10.778 -3.636 -0.169) 11.376 13.273 ( -10.778 3.636 -0.169) 11.376 13.460 ( 1.978 -2.442 -5.826) 6.619 13.460 ( 1.978 2.442 -5.826) 6.619 13.862 ( 1.164 -1.200 -0.421) 1.724 13.862 ( 1.164 1.200 -0.421) 1.724 14.219 ( -3.596 -3.673 1.968) 5.504 14.219 ( -3.596 3.673 1.968) 5.504 15.255 ( 1.534 -3.020 1.467) 3.691 15.255 ( 1.534 3.020 1.467) 3.691 15.582 ( 7.293 -0.920 -0.172) 7.352 15.582 ( 7.293 0.920 -0.172) 7.352 17.436 ( -1.927 -0.790 -0.518) 2.146 17.436 ( -1.927 0.790 -0.518) 2.146 17.532 ( -1.412 -0.139 0.365) 1.465 17.532 ( -1.412 0.139 0.365) 1.465 18.402 ( 0.089 -0.935 0.029) 0.940 18.402 ( 0.089 0.935 0.029) 0.940 18.466 ( 0.568 -0.737 -0.039) 0.931 18.466 ( 0.568 0.737 -0.039) 0.931 18.636 ( -0.014 -1.207 -0.722) 1.406 18.636 ( -0.014 1.207 -0.722) 1.406 18.705 ( 0.873 -0.634 0.556) 1.214 18.705 ( 0.873 0.634 0.556) 1.214 18.863 ( -0.776 -0.291 0.107) 0.836 18.863 ( -0.776 0.291 0.107) 0.836 19.089 ( -0.724 -0.349 0.036) 0.805 19.089 ( -0.724 0.349 0.036) 0.805 34.964 ( 0.245 -0.509 -0.171) 0.591 34.964 ( 0.245 0.509 -0.171) 0.591 35.039 ( 0.385 -0.603 0.294) 0.773 35.039 ( 0.385 0.603 0.294) 0.773 35.196 ( 0.608 -0.086 -0.006) 0.614 35.196 ( 0.608 0.086 -0.006) 0.614 35.227 ( 0.847 -0.066 0.055) 0.852 35.227 ( 0.847 0.066 0.055) 0.852 51.435 ( 2.596 -0.475 1.573) 3.072 51.435 ( 2.596 0.475 1.573) 3.072 51.679 ( 4.577 -0.348 4.392) 6.353 51.679 ( 4.577 0.348 4.392) 6.353 51.825 ( 3.983 -2.473 -4.130) 6.248 51.825 ( 3.983 2.473 -4.130) 6.248 52.136 ( 13.907 -3.880 -1.321) 14.498 52.136 ( 13.907 3.880 -1.321) 14.498 ======================= Grid point 129 (64/90) ======================= q-point: (-0.21 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -16.528 -8.853 2.845) 18.964 1.684 ( -16.528 8.853 2.845) 18.964 1.775 ( -19.687 -8.071 3.495) 21.562 1.775 ( -19.687 8.071 3.495) 21.562 2.263 ( -11.127 -5.226 -1.998) 12.455 2.263 ( -11.127 5.226 -1.998) 12.455 2.363 ( -6.745 -4.189 -5.458) 9.635 2.363 ( -6.745 4.189 -5.458) 9.635 2.472 ( -12.218 -5.141 1.953) 13.399 2.472 ( -12.218 5.141 1.953) 13.399 2.624 ( -11.690 -3.143 -0.919) 12.139 2.624 ( -11.690 3.143 -0.919) 12.139 2.765 ( -7.538 -5.176 -0.102) 9.144 2.765 ( -7.538 5.176 -0.102) 9.144 2.872 ( -5.628 -2.835 -0.594) 6.330 2.872 ( -5.628 2.835 -0.594) 6.330 2.956 ( -8.944 -4.919 2.099) 10.421 2.956 ( -8.944 4.919 2.099) 10.421 3.115 ( -7.164 -2.083 -0.189) 7.463 3.115 ( -7.164 2.083 -0.189) 7.463 3.229 ( -8.355 -4.069 -0.010) 9.293 3.229 ( -8.355 4.069 -0.010) 9.293 3.247 ( -8.891 -5.469 -1.965) 10.622 3.247 ( -8.891 5.469 -1.965) 10.622 3.341 ( -10.021 -2.854 4.336) 11.285 3.341 ( -10.021 2.854 4.336) 11.285 3.481 ( -4.898 -2.617 1.774) 5.830 3.481 ( -4.898 2.617 1.774) 5.830 3.548 ( -4.901 -2.294 0.735) 5.461 3.548 ( -4.901 2.294 0.735) 5.461 3.650 ( -2.272 -4.044 -2.613) 5.324 3.650 ( -2.272 4.044 -2.613) 5.324 3.757 ( -8.060 -1.675 0.511) 8.249 3.757 ( -8.060 1.675 0.511) 8.249 4.015 ( -7.846 -1.881 -0.404) 8.079 4.015 ( -7.846 1.881 -0.404) 8.079 4.163 ( 0.634 -2.150 -1.489) 2.691 4.163 ( 0.634 2.150 -1.489) 2.691 4.373 ( -4.797 -3.195 -6.535) 8.714 4.373 ( -4.797 3.195 -6.535) 8.714 4.569 ( 0.432 -2.549 3.576) 4.412 4.569 ( 0.432 2.549 3.576) 4.412 4.609 ( 0.073 -3.378 1.266) 3.608 4.609 ( 0.073 3.378 1.266) 3.608 4.796 ( 3.156 -4.149 1.829) 5.524 4.796 ( 3.156 4.149 1.829) 5.524 4.969 ( 6.264 -3.174 -1.322) 7.145 4.969 ( 6.264 3.174 -1.322) 7.145 7.109 ( 0.071 -3.558 -0.469) 3.590 7.109 ( 0.071 3.558 -0.469) 3.590 7.240 ( -8.832 -4.026 0.809) 9.740 7.240 ( -8.832 4.026 0.809) 9.740 7.438 ( -7.601 -6.286 0.105) 9.865 7.438 ( -7.601 6.286 0.105) 9.865 8.020 ( -8.407 -0.858 1.760) 8.632 8.020 ( -8.407 0.858 1.760) 8.632 8.247 ( -4.873 -3.498 -1.737) 6.245 8.247 ( -4.873 3.498 -1.737) 6.245 8.537 ( -6.534 -1.579 -0.369) 6.732 8.537 ( -6.534 1.579 -0.369) 6.732 8.724 ( -1.186 -2.580 -1.092) 3.042 8.724 ( -1.186 2.580 -1.092) 3.042 9.160 ( -9.397 -8.630 -1.951) 12.907 9.160 ( -9.397 8.630 -1.951) 12.907 9.398 ( -12.068 -5.819 0.928) 13.430 9.398 ( -12.068 5.819 0.928) 13.430 9.726 ( -2.850 -1.206 3.410) 4.605 9.726 ( -2.850 1.206 3.410) 4.605 9.951 ( -8.344 -4.011 -2.117) 9.498 9.951 ( -8.344 4.011 -2.117) 9.498 10.128 ( -4.151 -6.682 -1.739) 8.057 10.128 ( -4.151 6.682 -1.739) 8.057 10.364 ( -3.498 -4.250 -0.907) 5.579 10.364 ( -3.498 4.250 -0.907) 5.579 10.482 ( -5.511 -4.111 3.136) 7.556 10.482 ( -5.511 4.111 3.136) 7.556 10.761 ( -11.423 -9.055 2.377) 14.769 10.761 ( -11.423 9.055 2.377) 14.770 11.304 ( -2.320 -4.959 -2.917) 6.204 11.304 ( -2.320 4.959 -2.917) 6.204 11.589 ( -8.265 -5.540 0.442) 9.960 11.589 ( -8.265 5.540 0.442) 9.960 12.226 ( -14.986 -2.866 -0.811) 15.279 12.226 ( -14.986 2.866 -0.811) 15.279 12.785 ( 4.704 -5.783 6.178) 9.682 12.785 ( 4.704 5.783 6.178) 9.682 12.982 ( -6.054 -3.270 -2.842) 7.445 12.982 ( -6.054 3.270 -2.842) 7.445 13.143 ( -0.617 -3.675 -0.096) 3.728 13.143 ( -0.617 3.675 -0.096) 3.728 13.548 ( 8.164 -5.077 -10.954) 14.574 13.548 ( 8.164 5.077 -10.954) 14.574 13.935 ( 4.741 -2.148 1.665) 5.465 13.935 ( 4.741 2.148 1.665) 5.465 14.171 ( -0.996 -2.990 0.975) 3.298 14.171 ( -0.996 2.990 0.975) 3.298 15.331 ( 5.277 -6.061 5.186) 9.564 15.331 ( 5.277 6.061 5.186) 9.564 15.755 ( 10.157 -1.189 -0.667) 10.248 15.755 ( 10.157 1.189 -0.667) 10.248 17.397 ( -1.753 -0.755 -0.545) 1.985 17.397 ( -1.753 0.755 -0.545) 1.985 17.502 ( -1.666 -0.335 0.380) 1.741 17.502 ( -1.666 0.335 0.380) 1.741 18.406 ( 0.394 -0.818 -0.080) 0.912 18.406 ( 0.394 0.818 -0.080) 0.912 18.479 ( 0.651 -0.877 0.080) 1.095 18.479 ( 0.651 0.877 0.080) 1.095 18.632 ( -0.157 -1.781 -0.758) 1.942 18.632 ( -0.157 1.781 -0.758) 1.942 18.722 ( 0.652 -0.803 0.259) 1.066 18.722 ( 0.652 0.803 0.259) 1.066 18.847 ( -0.965 -0.576 0.299) 1.163 18.847 ( -0.965 0.576 0.299) 1.163 19.075 ( -0.741 -0.782 -0.085) 1.081 19.075 ( -0.741 0.782 -0.085) 1.081 34.968 ( 0.212 -0.535 -0.193) 0.607 34.968 ( 0.212 0.535 -0.193) 0.607 35.042 ( -0.176 -0.686 0.469) 0.849 35.042 ( -0.176 0.686 0.469) 0.849 35.210 ( 0.839 -0.136 0.136) 0.861 35.210 ( 0.839 0.136 0.136) 0.861 35.245 ( 0.927 -0.182 -0.235) 0.974 35.245 ( 0.927 0.182 -0.235) 0.974 51.489 ( 2.317 -1.790 1.237) 3.179 51.489 ( 2.317 1.790 1.237) 3.179 51.808 ( 6.276 -2.405 7.938) 10.401 51.808 ( 6.276 2.405 7.938) 10.401 51.882 ( 3.127 -3.956 -4.427) 6.710 51.882 ( 3.127 3.956 -4.427) 6.710 52.414 ( 14.565 -6.497 -2.274) 16.110 52.414 ( 14.565 6.497 -2.274) 16.110 ======================= Grid point 131 (65/90) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -14.364 -10.436 7.722) 19.361 1.397 ( -14.364 10.436 7.722) 19.361 1.428 ( -15.643 -10.214 6.101) 19.654 1.428 ( -15.643 10.214 6.101) 19.654 1.990 ( -15.638 -1.704 -6.579) 17.051 1.990 ( -15.638 1.704 -6.579) 17.051 2.145 ( -12.249 -2.557 -7.123) 14.399 2.145 ( -12.249 2.557 -7.123) 14.399 2.308 ( -4.421 -6.757 1.326) 8.183 2.308 ( -4.421 6.757 1.326) 8.183 2.409 ( -10.060 -4.717 -0.473) 11.121 2.409 ( -10.060 4.717 -0.473) 11.121 2.638 ( -5.559 -4.625 -0.531) 7.251 2.638 ( -5.559 4.625 -0.531) 7.251 2.735 ( -8.802 -5.704 -0.786) 10.518 2.735 ( -8.802 5.704 -0.786) 10.518 2.807 ( -6.408 -3.785 4.191) 8.541 2.807 ( -6.408 3.785 4.191) 8.541 2.873 ( -15.615 -11.734 5.243) 20.224 2.873 ( -15.615 11.734 5.243) 20.224 3.027 ( -7.901 -3.342 1.134) 8.654 3.027 ( -7.901 3.342 1.134) 8.654 3.092 ( -7.413 -4.061 -0.120) 8.453 3.092 ( -7.413 4.061 -0.120) 8.453 3.201 ( -5.782 -2.168 -3.481) 7.089 3.201 ( -5.782 2.168 -3.481) 7.089 3.411 ( -5.843 -3.526 1.512) 6.989 3.411 ( -5.843 3.526 1.512) 6.989 3.441 ( -4.867 -4.278 1.452) 6.641 3.441 ( -4.867 4.278 1.452) 6.641 3.571 ( -4.812 -4.015 -1.349) 6.411 3.571 ( -4.812 4.015 -1.349) 6.411 3.650 ( -2.929 -4.705 -2.325) 6.010 3.650 ( -2.929 4.705 -2.325) 6.010 3.830 ( -9.273 -1.327 -3.214) 9.903 3.830 ( -9.273 1.327 -3.214) 9.903 4.088 ( -4.416 -3.733 -2.744) 6.400 4.088 ( -4.416 3.733 -2.744) 6.400 4.348 ( 2.474 -0.819 -2.862) 3.871 4.348 ( 2.474 0.819 -2.862) 3.871 4.620 ( 1.985 -2.744 4.131) 5.342 4.620 ( 1.985 2.744 4.131) 5.342 4.643 ( 3.034 -4.712 0.864) 5.670 4.643 ( 3.034 4.712 0.864) 5.670 4.892 ( 4.707 -6.455 2.786) 8.461 4.892 ( 4.707 6.455 2.786) 8.461 5.082 ( 5.508 -6.531 -1.974) 8.769 5.082 ( 5.508 6.531 -1.974) 8.769 7.078 ( -4.599 -1.818 0.040) 4.946 7.078 ( -4.599 1.818 0.040) 4.946 7.126 ( -1.628 -3.225 -1.891) 4.078 7.126 ( -1.628 3.225 -1.891) 4.078 7.305 ( -5.168 -6.872 0.570) 8.617 7.305 ( -5.168 6.873 0.570) 8.617 7.851 ( -8.926 -1.057 0.644) 9.011 7.851 ( -8.926 1.057 0.644) 9.011 8.138 ( -6.328 -4.773 1.716) 8.111 8.138 ( -6.328 4.773 1.716) 8.111 8.384 ( -8.534 -2.217 1.907) 9.021 8.384 ( -8.534 2.217 1.907) 9.021 8.717 ( 0.206 -4.094 -2.297) 4.699 8.717 ( 0.206 4.094 -2.297) 4.699 8.933 ( -10.524 -7.120 -3.183) 13.099 8.933 ( -10.524 7.120 -3.183) 13.099 9.228 ( -6.395 -3.474 1.730) 7.480 9.228 ( -6.395 3.474 1.730) 7.480 9.621 ( -9.853 -4.637 3.214) 11.354 9.621 ( -9.853 4.637 3.214) 11.354 9.810 ( -4.140 -6.965 -0.773) 8.139 9.810 ( -4.140 6.965 -0.773) 8.139 10.024 ( -6.346 -3.179 -3.402) 7.871 10.024 ( -6.346 3.179 -3.402) 7.871 10.251 ( -6.643 -1.700 -2.043) 7.155 10.251 ( -6.643 1.700 -2.043) 7.155 10.391 ( -5.622 -4.015 5.564) 8.870 10.391 ( -5.622 4.015 5.564) 8.870 10.515 ( -11.996 -5.537 -0.549) 13.224 10.515 ( -11.996 5.537 -0.549) 13.224 11.248 ( -3.493 -1.262 -3.870) 5.364 11.248 ( -3.493 1.262 -3.870) 5.364 11.441 ( -7.477 -6.404 3.675) 10.508 11.441 ( -7.477 6.404 3.675) 10.508 11.814 ( -20.944 -2.729 -3.405) 21.393 11.814 ( -20.944 2.729 -3.405) 21.393 12.801 ( -1.605 -5.860 -1.752) 6.324 12.801 ( -1.605 5.860 -1.752) 6.324 13.003 ( 2.678 -5.242 -0.462) 5.905 13.003 ( 2.678 5.242 -0.462) 5.905 13.215 ( 8.494 -4.491 2.187) 9.854 13.215 ( 8.494 4.491 2.187) 9.854 13.673 ( 7.948 -4.603 -15.084) 17.660 13.673 ( 7.948 4.603 -15.084) 17.660 14.002 ( 0.473 -4.332 2.460) 5.004 14.002 ( 0.473 4.332 2.460) 5.004 14.212 ( 5.448 -1.766 -2.903) 6.421 14.212 ( 5.448 1.766 -2.903) 6.421 15.501 ( 9.171 -7.377 13.637) 18.014 15.501 ( 9.171 7.377 13.637) 18.014 15.961 ( 10.635 -1.412 -1.069) 10.782 15.961 ( 10.635 1.412 -1.069) 10.782 17.368 ( -1.046 -0.548 -0.200) 1.197 17.368 ( -1.046 0.548 -0.200) 1.197 17.469 ( -1.832 -0.356 0.042) 1.866 17.469 ( -1.832 0.356 0.042) 1.866 18.417 ( 0.783 -0.619 0.072) 1.001 18.417 ( 0.783 0.619 0.072) 1.001 18.491 ( 0.573 -0.838 -0.056) 1.017 18.491 ( 0.573 0.838 -0.056) 1.017 18.626 ( -0.197 -2.062 -0.611) 2.160 18.626 ( -0.197 2.062 -0.611) 2.160 18.730 ( 0.122 -1.071 -0.258) 1.109 18.730 ( 0.122 1.071 -0.258) 1.109 18.825 ( -1.355 -0.574 0.355) 1.514 18.825 ( -1.355 0.574 0.355) 1.514 19.059 ( -0.814 -0.902 -0.187) 1.229 19.059 ( -0.814 0.902 -0.187) 1.229 34.972 ( 0.269 -0.653 -0.084) 0.711 34.972 ( 0.269 0.653 -0.084) 0.711 35.035 ( -0.690 -0.493 0.420) 0.946 35.035 ( -0.690 0.493 0.420) 0.946 35.228 ( 0.907 -0.280 0.220) 0.974 35.228 ( 0.907 0.280 0.220) 0.974 35.259 ( 0.574 -0.217 -0.656) 0.898 35.259 ( 0.574 0.217 -0.656) 0.898 51.531 ( 1.561 -2.490 1.242) 3.190 51.531 ( 1.561 2.490 1.242) 3.190 51.877 ( 0.284 -4.243 -6.586) 7.839 51.877 ( 0.284 4.243 -6.586) 7.839 52.008 ( 7.874 -5.095 16.438) 18.925 52.008 ( 7.874 5.095 16.438) 18.925 52.679 ( 12.868 -9.376 -3.305) 16.261 52.679 ( 12.868 9.376 -3.305) 16.261 ======================= Grid point 133 (66/90) ======================= q-point: (-0.07 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -9.630 -5.391 9.811) 14.767 1.169 ( -9.630 5.391 9.811) 14.767 1.256 ( -5.802 -8.593 10.771) 14.951 1.256 ( -5.802 8.593 10.771) 14.951 1.677 ( -11.269 -2.335 -7.690) 13.841 1.677 ( -11.269 2.335 -7.690) 13.841 1.886 ( -11.335 -4.986 -6.713) 14.086 1.886 ( -11.335 4.986 -6.713) 14.086 2.241 ( -7.265 -14.841 3.708) 16.935 2.241 ( -7.265 14.841 3.708) 16.935 2.274 ( 0.478 -9.863 -0.483) 9.887 2.274 ( 0.478 9.863 -0.483) 9.887 2.489 ( -8.699 -12.489 -0.544) 15.230 2.489 ( -8.699 12.489 -0.544) 15.230 2.570 ( -6.460 -6.451 0.552) 9.146 2.570 ( -6.460 6.451 0.552) 9.146 2.685 ( -2.901 -3.004 1.711) 4.513 2.685 ( -2.901 3.004 1.711) 4.513 2.740 ( -4.188 -3.662 7.433) 9.284 2.740 ( -4.188 3.662 7.433) 9.284 2.890 ( -5.889 -3.315 -0.394) 6.770 2.890 ( -5.889 3.315 -0.394) 6.770 2.983 ( -3.490 -3.942 -1.048) 5.369 2.983 ( -3.490 3.942 -1.048) 5.369 3.084 ( -4.254 -1.422 -4.894) 6.638 3.084 ( -4.254 1.422 -4.894) 6.638 3.247 ( -8.152 -6.001 -3.234) 10.627 3.247 ( -8.152 6.001 -3.234) 10.627 3.381 ( -3.140 -4.193 0.708) 5.286 3.381 ( -3.140 4.193 0.708) 5.286 3.477 ( -4.215 -5.156 -1.467) 6.819 3.477 ( -4.215 5.156 -1.467) 6.819 3.581 ( -2.400 -3.769 -0.426) 4.488 3.581 ( -2.400 3.769 -0.426) 4.488 3.715 ( -1.473 -4.342 -4.384) 6.344 3.715 ( -1.473 4.342 -4.384) 6.344 4.028 ( -1.376 -3.739 -1.397) 4.222 4.028 ( -1.376 3.739 -1.397) 4.222 4.386 ( 1.685 -1.045 -1.960) 2.788 4.386 ( 1.685 1.045 -1.960) 2.788 4.662 ( 1.125 -4.976 3.571) 6.227 4.662 ( 1.125 4.976 3.571) 6.227 4.709 ( 2.642 -5.391 1.672) 6.232 4.709 ( 2.642 5.391 1.672) 6.232 4.975 ( 2.543 -7.940 2.770) 8.786 4.975 ( 2.543 7.940 2.770) 8.786 5.166 ( 3.477 -8.233 -1.947) 9.146 5.166 ( 3.477 8.233 -1.947) 9.146 7.007 ( -2.038 -2.195 -1.476) 3.339 7.007 ( -2.038 2.195 -1.476) 3.339 7.099 ( 0.767 -3.583 -3.457) 5.038 7.099 ( 0.767 3.583 -3.457) 5.038 7.246 ( -1.829 -5.113 0.466) 5.450 7.246 ( -1.829 5.113 0.466) 5.450 7.675 ( -8.642 -2.746 -1.708) 9.227 7.675 ( -8.642 2.746 -1.708) 9.227 8.011 ( -8.025 -5.983 12.459) 15.982 8.011 ( -8.025 5.983 12.459) 15.982 8.258 ( -4.019 -1.324 1.124) 4.379 8.258 ( -4.019 1.324 1.124) 4.379 8.694 ( -1.091 -6.021 -5.697) 8.360 8.694 ( -1.091 6.021 -5.697) 8.360 8.791 ( -3.180 -5.578 -1.643) 6.627 8.791 ( -3.180 5.578 -1.643) 6.627 9.135 ( -4.011 -2.601 2.365) 5.334 9.135 ( -4.011 2.601 2.365) 5.334 9.413 ( -9.595 -4.728 1.426) 10.791 9.413 ( -9.595 4.728 1.426) 10.791 9.767 ( -1.100 -6.676 0.639) 6.796 9.767 ( -1.100 6.676 0.639) 6.796 9.859 ( -8.509 -3.426 0.067) 9.173 9.859 ( -8.509 3.426 0.067) 9.173 10.136 ( -4.174 -1.379 -4.953) 6.623 10.136 ( -4.174 1.379 -4.953) 6.623 10.250 ( -7.604 -1.687 -3.088) 8.379 10.250 ( -7.604 1.687 -3.088) 8.379 10.389 ( -1.964 -3.306 4.978) 6.290 10.389 ( -1.964 3.306 4.978) 6.290 10.992 ( -19.488 -3.201 -6.407) 20.762 10.992 ( -19.488 3.201 -6.407) 20.762 11.348 ( -1.696 -5.743 4.714) 7.621 11.348 ( -1.696 5.744 4.714) 7.621 11.585 ( -1.888 -8.613 -6.562) 10.991 11.585 ( -1.888 8.613 -6.562) 10.991 12.806 ( 2.312 -1.032 -2.061) 3.265 12.806 ( 2.312 1.032 -2.061) 3.265 12.995 ( -1.699 -4.705 -1.787) 5.312 12.995 ( -1.699 4.705 -1.787) 5.312 13.405 ( 7.416 -2.593 1.939) 8.092 13.405 ( 7.416 2.593 1.939) 8.092 13.748 ( 4.353 -4.850 -19.864) 20.906 13.748 ( 4.353 4.850 -19.864) 20.906 13.988 ( -1.073 -2.972 1.457) 3.480 13.988 ( -1.073 2.972 1.457) 3.480 14.315 ( 4.981 -1.631 -6.166) 8.093 14.315 ( 4.981 1.631 -6.166) 8.093 15.753 ( 9.246 -2.421 22.682) 24.613 15.753 ( 9.246 2.421 22.682) 24.613 16.151 ( 8.623 -2.435 -0.999) 9.015 16.151 ( 8.623 2.435 -0.999) 9.015 17.357 ( -0.064 -0.130 0.271) 0.308 17.357 ( -0.064 0.130 0.271) 0.308 17.432 ( -1.670 -0.303 -0.250) 1.716 17.432 ( -1.670 0.303 -0.250) 1.716 18.437 ( 1.120 -0.349 0.277) 1.205 18.437 ( 1.120 0.349 0.277) 1.205 18.499 ( 0.200 -0.740 -0.337) 0.838 18.499 ( 0.200 0.740 -0.337) 0.838 18.623 ( 0.119 -2.095 0.339) 2.125 18.623 ( 0.119 2.095 0.339) 2.125 18.726 ( -0.162 -1.396 -1.033) 1.744 18.726 ( -0.162 1.396 -1.033) 1.744 18.795 ( -1.673 -0.381 0.050) 1.716 18.795 ( -1.673 0.381 0.050) 1.716 19.043 ( -0.713 -0.733 -0.113) 1.029 19.043 ( -0.713 0.733 -0.113) 1.029 34.978 ( 0.265 -0.739 0.206) 0.812 34.978 ( 0.265 0.739 0.206) 0.812 35.020 ( -0.802 -0.519 -0.059) 0.957 35.020 ( -0.802 0.519 -0.059) 0.957 35.245 ( 0.652 -0.337 0.152) 0.750 35.245 ( 0.652 0.337 0.152) 0.750 35.262 ( 0.058 -0.162 -0.977) 0.992 35.262 ( 0.058 0.162 -0.977) 0.992 51.557 ( 0.668 -3.157 1.300) 3.479 51.557 ( 0.668 3.157 1.300) 3.479 51.832 ( -2.329 -5.613 -5.624) 8.280 51.832 ( -2.329 5.613 -5.624) 8.280 52.232 ( 7.831 -9.966 24.705) 27.767 52.232 ( 7.831 9.966 24.705) 27.767 52.881 ( 8.238 -11.805 -3.874) 14.908 52.881 ( 8.238 11.805 -3.874) 14.908 ======================= Grid point 150 (67/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 2.032 0.000 -4.897) 5.302 0.862 ( -2.032 0.000 4.897) 5.302 1.038 ( 0.427 0.000 -4.776) 4.795 1.038 ( -0.427 0.000 4.776) 4.795 1.694 ( 0.256 0.000 -17.739) 17.740 1.694 ( -0.256 0.000 17.739) 17.740 1.874 ( 0.913 0.000 -9.557) 9.601 1.874 ( -0.913 0.000 9.557) 9.601 1.987 ( -0.428 0.000 -15.830) 15.836 1.987 ( 0.428 0.000 15.830) 15.836 2.142 ( 0.845 0.000 -5.789) 5.851 2.142 ( -0.845 0.000 5.789) 5.851 2.264 ( -4.650 0.000 -3.973) 6.116 2.264 ( 4.650 0.000 3.973) 6.116 2.611 ( 1.259 0.000 -1.339) 1.838 2.611 ( -1.259 0.000 1.339) 1.838 2.691 ( -2.973 0.000 -3.737) 4.775 2.691 ( 2.973 0.000 3.737) 4.775 2.830 ( 0.315 0.000 -3.244) 3.259 2.830 ( -0.315 0.000 3.244) 3.259 2.874 ( 0.555 0.000 -1.002) 1.145 2.874 ( -0.555 0.000 1.002) 1.145 2.906 ( 0.349 0.000 -5.684) 5.694 2.906 ( -0.349 0.000 5.684) 5.694 3.063 ( -0.298 0.000 -0.542) 0.619 3.063 ( 0.298 0.000 0.542) 0.619 3.206 ( -1.069 0.000 0.350) 1.125 3.206 ( 1.069 0.000 -0.350) 1.125 3.267 ( -0.022 0.000 -5.320) 5.320 3.267 ( 0.022 0.000 5.320) 5.320 3.465 ( 1.640 0.000 -3.165) 3.565 3.465 ( -1.640 0.000 3.165) 3.565 3.764 ( 0.674 0.000 -1.591) 1.728 3.764 ( -0.674 0.000 1.591) 1.728 3.841 ( 2.128 0.000 -2.328) 3.154 3.841 ( -2.128 0.000 2.328) 3.154 3.994 ( -0.549 0.000 -5.258) 5.287 3.994 ( 0.549 0.000 5.258) 5.287 4.213 ( -1.015 0.000 -8.080) 8.144 4.213 ( 1.015 0.000 8.080) 8.144 4.468 ( -1.048 0.000 0.244) 1.076 4.468 ( 1.048 0.000 -0.244) 1.076 4.740 ( -1.215 0.000 -5.447) 5.581 4.740 ( 1.215 0.000 5.447) 5.581 4.951 ( 1.223 0.000 -2.696) 2.961 4.951 ( -1.223 0.000 2.696) 2.961 5.367 ( 0.553 0.000 -5.605) 5.632 5.367 ( -0.553 0.000 5.605) 5.632 6.924 ( 0.060 0.000 -4.180) 4.181 6.924 ( -0.060 0.000 4.180) 4.181 7.014 ( -2.419 0.000 -0.816) 2.553 7.014 ( 2.419 0.000 0.816) 2.553 7.176 ( -9.962 0.000 -0.329) 9.968 7.176 ( 9.962 0.000 0.329) 9.968 7.655 ( 0.371 0.000 -0.176) 0.411 7.655 ( -0.371 0.000 0.176) 0.411 8.080 ( -0.281 0.000 -5.783) 5.790 8.080 ( 0.281 0.000 5.783) 5.790 8.387 ( -7.304 0.000 -3.609) 8.147 8.387 ( 7.304 0.000 3.609) 8.147 8.485 ( -3.017 0.000 -6.750) 7.393 8.485 ( 3.017 0.000 6.750) 7.393 8.851 ( -1.713 0.000 -6.207) 6.438 8.851 ( 1.713 0.000 6.207) 6.438 9.052 ( -1.877 0.000 -3.152) 3.668 9.052 ( 1.877 0.000 3.152) 3.668 9.237 ( 0.271 0.000 -7.224) 7.229 9.237 ( -0.271 0.000 7.224) 7.229 9.377 ( -2.607 0.000 -5.152) 5.774 9.377 ( 2.607 0.000 5.152) 5.774 9.769 ( -1.605 0.000 -5.839) 6.055 9.769 ( 1.605 0.000 5.839) 6.055 10.080 ( -1.612 0.000 -9.709) 9.842 10.080 ( 1.612 0.000 9.709) 9.842 10.269 ( 1.143 0.000 -1.580) 1.950 10.269 ( -1.143 0.000 1.580) 1.950 10.509 ( 1.897 0.000 -1.390) 2.352 10.509 ( -1.897 0.000 1.390) 2.352 10.735 ( 0.979 0.000 -8.292) 8.349 10.735 ( -0.979 0.000 8.292) 8.349 11.259 ( -1.333 0.000 -0.927) 1.623 11.259 ( 1.333 0.000 0.927) 1.623 11.647 ( -1.732 0.000 -5.756) 6.011 11.647 ( 1.732 0.000 5.756) 6.011 12.726 ( -1.703 0.000 -5.001) 5.283 12.726 ( 1.703 0.000 5.001) 5.283 13.011 ( -9.647 0.000 0.288) 9.651 13.011 ( 9.647 0.000 -0.288) 9.651 13.347 ( 4.591 0.000 -2.912) 5.437 13.347 ( -4.591 0.000 2.912) 5.437 13.667 ( -1.071 0.000 -9.548) 9.608 13.667 ( 1.071 0.000 9.548) 9.608 13.923 ( -5.852 0.000 -0.325) 5.861 13.923 ( 5.852 0.000 0.325) 5.861 14.297 ( 0.928 0.000 -0.471) 1.041 14.297 ( -0.928 0.000 0.471) 1.041 16.066 ( 3.157 0.000 -3.032) 4.377 16.066 ( -3.157 0.000 3.032) 4.377 16.347 ( -1.090 0.000 -1.849) 2.147 16.347 ( 1.090 0.000 1.849) 2.147 17.376 ( 0.204 0.000 -0.861) 0.885 17.376 ( -0.204 0.000 0.861) 0.885 17.401 ( -1.278 0.000 0.314) 1.317 17.401 ( 1.278 0.000 -0.314) 1.317 18.449 ( -0.340 0.000 -1.825) 1.857 18.449 ( 0.340 0.000 1.825) 1.857 18.483 ( -1.414 0.000 -1.202) 1.856 18.483 ( 1.414 0.000 1.202) 1.856 18.620 ( -0.435 0.000 -2.124) 2.168 18.620 ( 0.435 0.000 2.124) 2.168 18.740 ( -3.657 0.000 0.721) 3.728 18.740 ( 3.657 0.000 -0.721) 3.728 18.768 ( 0.237 0.000 -0.921) 0.950 18.768 ( -0.237 0.000 0.921) 0.950 19.035 ( -0.300 0.000 -0.770) 0.827 19.035 ( 0.300 0.000 0.770) 0.827 34.988 ( -0.658 0.000 -0.974) 1.175 34.988 ( 0.658 0.000 0.974) 1.175 35.005 ( -1.615 0.000 -0.372) 1.658 35.005 ( 1.615 0.000 0.372) 1.658 35.252 ( -0.136 0.000 -0.271) 0.303 35.252 ( 0.136 0.000 0.271) 0.303 35.261 ( 0.867 0.000 -0.637) 1.075 35.261 ( -0.867 0.000 0.637) 1.075 51.495 ( 1.604 0.000 -2.902) 3.316 51.495 ( -1.604 0.000 2.902) 3.316 51.976 ( 1.264 0.000 -2.119) 2.467 51.976 ( -1.264 0.000 2.119) 2.467 52.348 ( -1.294 0.000 -1.392) 1.900 52.348 ( 1.294 0.000 1.392) 1.900 53.282 ( -0.629 0.000 -0.888) 1.089 53.282 ( 0.629 0.000 0.888) 1.089 ======================= Grid point 152 (68/90) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 13.362 0.000 1.407) 13.436 1.005 ( 14.114 0.000 -16.661) 21.835 1.191 ( 14.556 0.000 -4.962) 15.378 1.226 ( 14.887 0.000 13.338) 19.988 1.800 ( 16.244 0.000 -21.322) 26.804 1.866 ( 9.614 0.000 8.894) 13.097 1.876 ( 6.135 0.000 -10.620) 12.265 1.892 ( 5.940 0.000 -0.219) 5.944 2.066 ( 7.752 0.000 2.046) 8.018 2.151 ( 7.502 0.000 13.786) 15.694 2.197 ( 1.475 0.000 -2.380) 2.800 2.216 ( 6.650 0.000 7.494) 10.019 2.218 ( 4.422 0.000 3.043) 5.368 2.407 ( 8.544 0.000 6.218) 10.567 2.615 ( 1.451 0.000 -5.725) 5.906 2.703 ( 4.998 0.000 2.395) 5.542 2.722 ( 10.350 0.000 -1.688) 10.486 2.752 ( 1.691 0.000 2.659) 3.151 2.860 ( 3.400 0.000 -2.299) 4.104 2.872 ( 3.547 0.000 4.328) 5.595 2.910 ( 4.282 0.000 -1.649) 4.589 2.915 ( 3.809 0.000 -1.220) 3.999 2.952 ( 5.073 0.000 -2.912) 5.849 2.981 ( 5.307 0.000 3.128) 6.160 3.097 ( 4.603 0.000 -0.424) 4.622 3.101 ( 3.115 0.000 0.360) 3.135 3.194 ( 0.598 0.000 -0.576) 0.830 3.231 ( 2.434 0.000 0.352) 2.460 3.299 ( 4.040 0.000 -4.456) 6.015 3.335 ( 4.116 0.000 4.840) 6.353 3.495 ( 3.577 0.000 3.879) 5.276 3.534 ( 6.022 0.000 -2.838) 6.657 3.755 ( -0.409 0.000 1.020) 1.099 3.765 ( 0.447 0.000 -3.214) 3.245 3.840 ( 1.276 0.000 2.132) 2.485 3.905 ( 4.276 0.000 -0.318) 4.287 3.990 ( 1.431 0.000 -3.457) 3.741 4.044 ( 2.874 0.000 4.788) 5.584 4.166 ( -1.057 0.000 -8.640) 8.704 4.258 ( 1.338 0.000 7.578) 7.695 4.445 ( -1.322 0.000 1.500) 1.999 4.478 ( 0.199 0.000 -0.687) 0.716 4.679 ( -3.331 0.000 -3.915) 5.141 4.756 ( -1.319 0.000 5.464) 5.621 4.920 ( -2.227 0.000 1.091) 2.480 4.942 ( -1.107 0.000 -3.714) 3.875 5.309 ( -4.594 0.000 -6.056) 7.601 5.323 ( -5.512 0.000 4.902) 7.377 6.926 ( 0.132 0.000 4.561) 4.563 6.933 ( 3.005 0.000 -2.100) 3.666 7.010 ( 1.636 0.000 -2.288) 2.812 7.088 ( 2.828 0.000 -1.509) 3.206 7.147 ( 5.984 0.000 0.827) 6.041 7.474 ( 18.240 0.000 -5.123) 18.946 7.648 ( -1.050 0.000 1.032) 1.472 7.702 ( 5.311 0.000 -0.817) 5.374 8.079 ( 1.603 0.000 -4.085) 4.388 8.126 ( 2.159 0.000 8.528) 8.797 8.285 ( -3.759 0.000 -2.151) 4.331 8.507 ( 8.889 0.000 -4.252) 9.854 8.525 ( 2.860 0.000 5.129) 5.873 8.611 ( 6.201 0.000 6.606) 9.060 8.806 ( -0.516 0.000 -7.940) 7.957 8.900 ( 2.195 0.000 2.324) 3.197 9.036 ( 1.521 0.000 -0.762) 1.702 9.148 ( 8.917 0.000 6.863) 11.253 9.368 ( 11.596 0.000 -12.400) 16.977 9.448 ( 10.257 0.000 1.231) 10.331 9.468 ( 8.410 0.000 10.503) 13.455 9.578 ( 21.579 0.000 8.853) 23.325 9.808 ( 8.017 0.000 -2.308) 8.342 9.843 ( 2.879 0.000 6.932) 7.506 10.040 ( 0.500 0.000 -9.236) 9.249 10.190 ( 4.471 0.000 2.967) 5.366 10.248 ( 3.483 0.000 2.500) 4.287 10.269 ( 2.094 0.000 -3.637) 4.197 10.547 ( 5.289 0.000 2.072) 5.680 10.553 ( 3.614 0.000 -3.477) 5.015 10.891 ( 13.221 0.000 2.993) 13.555 10.895 ( 15.651 0.000 -12.985) 20.336 11.236 ( -1.185 0.000 -0.502) 1.287 11.308 ( 3.795 0.000 1.048) 3.937 11.641 ( 4.862 0.000 -4.165) 6.402 11.711 ( 3.254 0.000 5.484) 6.376 12.671 ( -2.985 0.000 -3.514) 4.610 12.777 ( 1.847 0.000 4.581) 4.939 12.876 ( -2.772 0.000 -2.102) 3.479 13.174 ( 0.237 0.000 9.890) 9.892 13.271 ( 0.971 0.000 -1.251) 1.583 13.387 ( -0.601 0.000 1.199) 1.341 13.543 ( -9.888 0.000 -8.535) 13.062 13.690 ( -1.125 0.000 7.863) 7.943 13.840 ( -0.412 0.000 0.156) 0.440 13.998 ( 1.076 0.000 -0.832) 1.360 14.242 ( -5.120 0.000 1.072) 5.231 14.288 ( -1.515 0.000 0.992) 1.811 15.955 ( -8.767 0.000 3.667) 9.503 16.045 ( -5.800 0.000 -1.100) 5.904 16.174 ( -15.638 0.000 -7.368) 17.287 16.175 ( -13.765 0.000 1.226) 13.819 17.354 ( -0.096 0.000 -0.459) 0.468 17.363 ( -0.305 0.000 -1.175) 1.214 17.423 ( 1.942 0.000 0.904) 2.142 17.439 ( 1.723 0.000 -0.858) 1.925 18.433 ( -0.700 0.000 -1.611) 1.756 18.455 ( -0.287 0.000 1.845) 1.867 18.458 ( -0.805 0.000 -1.141) 1.397 18.511 ( 0.593 0.000 1.573) 1.681 18.603 ( -0.513 0.000 -2.131) 2.192 18.634 ( 0.377 0.000 1.931) 1.968 18.687 ( -1.262 0.000 -0.418) 1.329 18.774 ( 0.433 0.000 0.731) 0.849 18.780 ( 1.100 0.000 -0.530) 1.221 18.803 ( 2.765 0.000 -1.690) 3.241 19.034 ( 0.385 0.000 -0.978) 1.051 19.051 ( 1.022 0.000 0.642) 1.206 34.977 ( -0.210 0.000 -1.241) 1.258 34.982 ( -0.523 0.000 -0.044) 0.525 35.007 ( 0.746 0.000 1.626) 1.790 35.040 ( 1.593 0.000 0.051) 1.594 35.238 ( -1.162 0.000 0.938) 1.494 35.244 ( -0.497 0.000 -0.434) 0.660 35.253 ( -0.227 0.000 -0.043) 0.231 35.267 ( -0.131 0.000 -0.077) 0.152 51.482 ( -0.653 0.000 3.858) 3.913 51.517 ( 1.204 0.000 -2.743) 2.995 51.939 ( -2.988 0.000 1.076) 3.176 51.974 ( -0.722 0.000 -2.806) 2.897 52.270 ( -5.875 0.000 -1.646) 6.101 52.329 ( -3.275 0.000 0.410) 3.301 53.081 ( -18.762 0.000 -7.861) 20.343 53.107 ( -15.043 0.000 4.395) 15.672 ======================= Grid point 153 (69/90) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 18.575 0.000 -10.399) 21.288 1.313 ( 17.621 0.000 -5.724) 18.527 1.496 ( 17.061 0.000 -0.739) 17.077 1.599 ( 17.833 0.000 9.957) 20.424 2.005 ( 9.220 0.000 -1.904) 9.414 2.027 ( 10.453 0.000 -0.394) 10.461 2.161 ( 17.155 0.000 -0.452) 17.161 2.174 ( 14.402 0.000 5.768) 15.514 2.236 ( 9.438 0.000 -5.310) 10.829 2.297 ( 10.470 0.000 3.597) 11.071 2.310 ( 8.587 0.000 -3.516) 9.279 2.419 ( 9.478 0.000 4.919) 10.678 2.426 ( 19.738 0.000 -9.001) 21.694 2.639 ( 12.100 0.000 10.133) 15.782 2.670 ( 5.514 0.000 -3.115) 6.333 2.770 ( 0.523 0.000 0.332) 0.619 2.808 ( 4.083 0.000 1.702) 4.424 2.929 ( 4.497 0.000 -2.987) 5.398 2.977 ( 13.108 0.000 4.228) 13.773 2.982 ( 5.555 0.000 2.286) 6.007 3.018 ( 6.304 0.000 1.017) 6.386 3.032 ( 8.633 0.000 -0.870) 8.677 3.087 ( 5.556 0.000 -2.018) 5.911 3.087 ( 8.872 0.000 -0.255) 8.876 3.169 ( 3.896 0.000 -0.461) 3.923 3.232 ( 3.514 0.000 -1.607) 3.864 3.259 ( 10.919 0.000 0.690) 10.941 3.316 ( 5.669 0.000 1.416) 5.843 3.386 ( 5.898 0.000 -3.139) 6.681 3.436 ( 5.083 0.000 2.599) 5.709 3.607 ( 4.733 0.000 7.852) 9.168 3.642 ( 3.816 0.000 -2.862) 4.770 3.768 ( 2.239 0.000 1.856) 2.908 3.793 ( 5.173 0.000 -3.742) 6.384 3.901 ( 4.139 0.000 0.347) 4.154 3.978 ( 2.506 0.000 1.071) 2.725 4.021 ( 2.249 0.000 -1.548) 2.730 4.124 ( 3.169 0.000 3.549) 4.758 4.134 ( 1.037 0.000 -8.428) 8.491 4.320 ( 2.683 0.000 7.433) 7.903 4.436 ( -0.374 0.000 3.997) 4.015 4.496 ( 3.244 0.000 -3.411) 4.707 4.597 ( -3.535 0.000 -1.390) 3.799 4.724 ( -3.112 0.000 3.853) 4.953 4.878 ( -1.882 0.000 -0.688) 2.004 4.890 ( -2.794 0.000 -3.752) 4.678 5.158 ( -8.552 0.000 -6.051) 10.476 5.188 ( -9.275 0.000 3.948) 10.081 6.961 ( 1.520 0.000 3.008) 3.370 7.034 ( 7.744 0.000 -3.288) 8.413 7.052 ( 2.897 0.000 0.575) 2.953 7.165 ( 5.713 0.000 -0.837) 5.774 7.288 ( 7.561 0.000 1.272) 7.667 7.600 ( -1.933 0.000 -1.996) 2.779 7.812 ( 15.718 0.000 -3.910) 16.197 7.852 ( 9.469 0.000 -0.773) 9.500 8.116 ( 3.507 0.000 -3.958) 5.288 8.214 ( 3.223 0.000 10.217) 10.713 8.221 ( -1.724 0.000 -0.044) 1.724 8.574 ( 1.312 0.000 4.331) 4.526 8.697 ( 1.802 0.000 3.912) 4.307 8.743 ( 8.958 0.000 0.336) 8.964 8.804 ( 8.147 0.000 -12.362) 14.805 8.979 ( 5.397 0.000 1.146) 5.518 9.099 ( 4.750 0.000 1.808) 5.083 9.401 ( 13.115 0.000 4.510) 13.869 9.607 ( 14.869 0.000 -9.593) 17.695 9.611 ( 5.996 0.000 3.865) 7.133 9.649 ( 7.611 0.000 3.927) 8.565 9.910 ( 5.197 0.000 -9.503) 10.831 9.946 ( 7.238 0.000 4.376) 8.458 10.002 ( 10.939 0.000 4.783) 11.939 10.144 ( 8.684 0.000 8.012) 11.815 10.189 ( 0.227 0.000 -2.741) 2.751 10.414 ( 13.064 0.000 1.327) 13.131 10.478 ( 11.632 0.000 2.670) 11.935 10.644 ( 6.751 0.000 -5.788) 8.893 10.694 ( 7.878 0.000 5.159) 9.417 11.134 ( 3.332 0.000 2.687) 4.280 11.161 ( 13.575 0.000 -7.905) 15.709 11.272 ( 11.717 0.000 -4.466) 12.539 11.442 ( 9.345 0.000 1.254) 9.429 11.841 ( 9.664 0.000 3.046) 10.133 11.902 ( 21.729 0.000 2.559) 21.880 12.614 ( 0.060 0.000 -6.720) 6.720 12.808 ( -0.996 0.000 3.746) 3.877 12.876 ( 2.414 0.000 -2.809) 3.704 13.099 ( -6.653 0.000 15.254) 16.642 13.252 ( -12.289 0.000 -9.484) 15.523 13.329 ( -5.307 0.000 2.161) 5.730 13.361 ( 1.745 0.000 0.538) 1.826 13.672 ( -3.150 0.000 6.810) 7.504 13.917 ( 6.587 0.000 3.461) 7.441 13.963 ( -3.710 0.000 -0.524) 3.747 14.102 ( -9.054 0.000 0.200) 9.057 14.256 ( -1.733 0.000 -0.559) 1.821 15.715 ( -18.711 0.000 -12.008) 22.233 15.758 ( -12.135 0.000 2.771) 12.447 15.896 ( -13.882 0.000 3.818) 14.397 15.953 ( -7.822 0.000 -5.328) 9.464 17.362 ( 0.565 0.000 -0.885) 1.050 17.373 ( 1.666 0.000 0.317) 1.695 17.465 ( 1.397 0.000 -0.682) 1.555 17.468 ( 2.218 0.000 0.646) 2.310 18.414 ( -0.755 0.000 -1.400) 1.590 18.443 ( -0.314 0.000 -1.177) 1.218 18.449 ( -0.815 0.000 1.663) 1.852 18.512 ( -0.698 0.000 1.092) 1.296 18.593 ( 0.163 0.000 -1.689) 1.697 18.648 ( 0.572 0.000 1.755) 1.846 18.680 ( 0.078 0.000 0.244) 0.256 18.778 ( -0.270 0.000 -0.317) 0.417 18.802 ( 1.115 0.000 -0.091) 1.119 18.842 ( 1.678 0.000 -0.492) 1.749 19.041 ( 0.525 0.000 -1.004) 1.133 19.075 ( 1.166 0.000 0.446) 1.248 34.970 ( 0.021 0.000 -1.516) 1.516 34.981 ( 0.156 0.000 -0.037) 0.160 35.022 ( 0.237 0.000 1.765) 1.781 35.057 ( 0.200 0.000 -0.318) 0.376 35.226 ( -0.471 0.000 0.980) 1.087 35.231 ( -0.636 0.000 -0.575) 0.858 35.244 ( -0.707 0.000 -0.197) 0.734 35.258 ( -0.745 0.000 0.566) 0.935 51.488 ( -0.413 0.000 5.027) 5.044 51.517 ( -0.487 0.000 -2.324) 2.375 51.866 ( -4.470 0.000 -0.436) 4.491 51.930 ( -2.742 0.000 -3.596) 4.522 52.127 ( -7.945 0.000 0.789) 7.984 52.230 ( -6.732 0.000 0.346) 6.741 52.623 ( -20.831 0.000 -17.103) 26.953 52.796 ( -17.595 0.000 7.881) 19.279 ======================= Grid point 154 (70/90) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 17.794 0.000 -9.052) 19.964 1.647 ( 19.505 0.000 -4.391) 19.993 1.858 ( 18.365 0.000 5.124) 19.067 1.959 ( 15.997 0.000 6.951) 17.442 2.206 ( 10.981 0.000 -1.654) 11.105 2.237 ( 10.847 0.000 2.161) 11.060 2.372 ( 8.904 0.000 0.436) 8.914 2.432 ( 8.455 0.000 1.881) 8.662 2.432 ( 10.395 0.000 -3.499) 10.968 2.499 ( 11.673 0.000 0.870) 11.706 2.583 ( 16.176 0.000 1.712) 16.266 2.592 ( 8.007 0.000 -1.184) 8.094 2.792 ( 2.293 0.000 0.034) 2.293 2.798 ( 7.561 0.000 0.297) 7.567 2.857 ( 9.874 0.000 -2.321) 10.143 2.898 ( 10.887 0.000 3.305) 11.378 2.913 ( 15.525 0.000 -2.648) 15.749 3.007 ( 4.060 0.000 -2.311) 4.671 3.099 ( 5.398 0.000 2.197) 5.828 3.137 ( 4.755 0.000 3.634) 5.985 3.182 ( 7.333 0.000 -1.103) 7.415 3.201 ( 6.755 0.000 -3.506) 7.610 3.233 ( 11.284 0.000 2.407) 11.538 3.250 ( 7.961 0.000 0.422) 7.973 3.303 ( 9.169 0.000 -1.255) 9.254 3.324 ( 7.301 0.000 -3.005) 7.895 3.415 ( 5.093 0.000 2.035) 5.485 3.491 ( 8.986 0.000 0.403) 8.995 3.510 ( 7.240 0.000 -1.964) 7.502 3.546 ( 5.976 0.000 -2.129) 6.344 3.660 ( 1.648 0.000 -5.597) 5.834 3.680 ( 0.600 0.000 6.447) 6.475 3.893 ( 4.862 0.000 9.593) 10.754 3.943 ( 8.921 0.000 -2.742) 9.333 3.969 ( 5.891 0.000 -1.627) 6.112 4.009 ( 0.950 0.000 -0.379) 1.023 4.096 ( 6.072 0.000 1.292) 6.208 4.151 ( -1.803 0.000 5.491) 5.779 4.167 ( 4.423 0.000 -5.640) 7.167 4.396 ( 1.999 0.000 5.423) 5.780 4.426 ( -2.735 0.000 2.900) 3.986 4.592 ( 3.877 0.000 4.862) 6.218 4.601 ( 7.885 0.000 -6.963) 10.520 4.681 ( -0.804 0.000 0.298) 0.857 4.820 ( -3.082 0.000 -2.705) 4.101 4.850 ( -0.493 0.000 -1.926) 1.988 4.958 ( -8.858 0.000 -4.193) 9.800 5.000 ( -9.980 0.000 2.103) 10.200 6.993 ( 1.595 0.000 -0.471) 1.663 7.113 ( 3.195 0.000 0.667) 3.263 7.209 ( 10.229 0.000 -2.277) 10.480 7.297 ( 7.395 0.000 0.430) 7.408 7.454 ( 8.467 0.000 2.581) 8.852 7.563 ( -0.861 0.000 -0.395) 0.947 8.040 ( 9.030 0.000 0.278) 9.034 8.074 ( 12.236 0.000 -7.573) 14.390 8.198 ( -0.812 0.000 4.127) 4.206 8.205 ( 7.572 0.000 -5.975) 9.645 8.322 ( 3.861 0.000 10.955) 11.615 8.614 ( 1.722 0.000 2.493) 3.030 8.742 ( 2.107 0.000 3.487) 4.074 8.785 ( 2.263 0.000 -4.145) 4.722 9.047 ( 11.011 0.000 -5.685) 12.393 9.104 ( 6.629 0.000 0.536) 6.651 9.253 ( 10.594 0.000 6.110) 12.230 9.637 ( 7.989 0.000 4.130) 8.993 9.728 ( 5.764 0.000 -0.684) 5.805 9.775 ( 5.296 0.000 4.515) 6.959 9.844 ( 11.399 0.000 -10.409) 15.436 9.975 ( 7.239 0.000 -10.438) 12.703 10.146 ( 9.209 0.000 1.498) 9.330 10.203 ( 7.778 0.000 4.491) 8.982 10.221 ( 5.325 0.000 -0.685) 5.369 10.278 ( 3.551 0.000 4.858) 6.017 10.631 ( 6.174 0.000 1.403) 6.331 10.651 ( 6.583 0.000 -0.719) 6.622 10.733 ( 3.362 0.000 -6.431) 7.257 10.855 ( 5.058 0.000 10.288) 11.464 11.190 ( 6.039 0.000 -1.711) 6.276 11.369 ( 8.353 0.000 -2.999) 8.875 11.535 ( 12.783 0.000 -6.106) 14.167 11.625 ( 6.785 0.000 6.755) 9.574 12.104 ( 14.189 0.000 -0.127) 14.190 12.330 ( 13.198 0.000 0.922) 13.230 12.647 ( 4.357 0.000 -6.121) 7.513 12.705 ( -7.961 0.000 5.657) 9.766 12.928 ( 3.405 0.000 -0.680) 3.472 13.013 ( -3.139 0.000 3.441) 4.657 13.172 ( 6.420 0.000 5.903) 8.722 13.258 ( 1.449 0.000 -4.544) 4.770 13.378 ( 0.398 0.000 -1.769) 1.813 13.595 ( -6.650 0.000 5.368) 8.546 13.883 ( -4.274 0.000 3.119) 5.291 13.905 ( -9.544 0.000 -0.024) 9.544 14.080 ( 7.217 0.000 5.932) 9.342 14.223 ( -0.338 0.000 -4.842) 4.853 15.393 ( -10.051 0.000 -10.703) 14.682 15.518 ( -11.725 0.000 0.732) 11.748 15.682 ( -9.295 0.000 4.177) 10.190 15.773 ( -8.680 0.000 -3.388) 9.318 17.378 ( 1.173 0.000 -0.456) 1.259 17.413 ( 2.170 0.000 0.436) 2.214 17.494 ( 1.737 0.000 -0.382) 1.779 17.510 ( 1.843 0.000 0.215) 1.855 18.397 ( -0.478 0.000 -1.177) 1.271 18.437 ( -0.903 0.000 1.539) 1.785 18.437 ( 0.041 0.000 -1.177) 1.178 18.498 ( -0.900 0.000 0.843) 1.234 18.598 ( 0.694 0.000 -1.114) 1.312 18.666 ( 0.610 0.000 1.475) 1.596 18.678 ( -0.535 0.000 0.294) 0.610 18.761 ( -1.178 0.000 -0.584) 1.314 18.822 ( 0.958 0.000 0.158) 0.971 18.867 ( 1.019 0.000 -0.071) 1.022 19.049 ( 0.584 0.000 -0.467) 0.748 19.097 ( 0.961 0.000 0.009) 0.961 34.967 ( 0.066 0.000 -1.491) 1.492 34.985 ( 0.282 0.000 -0.362) 0.459 35.025 ( -0.368 0.000 0.986) 1.052 35.054 ( -0.393 0.000 0.606) 0.722 35.216 ( -0.875 0.000 -0.233) 0.905 35.216 ( -0.635 0.000 -0.621) 0.888 35.228 ( -0.802 0.000 0.576) 0.987 35.244 ( -0.824 0.000 0.711) 1.088 51.484 ( -2.169 0.000 -1.331) 2.545 51.487 ( -1.314 0.000 4.258) 4.456 51.769 ( -4.840 0.000 -0.451) 4.861 51.850 ( -3.951 0.000 -3.856) 5.521 51.980 ( -7.413 0.000 3.021) 8.005 52.066 ( -9.969 0.000 -2.304) 10.232 52.230 ( -13.740 0.000 -12.391) 18.502 52.477 ( -17.061 0.000 6.584) 18.288 ======================= Grid point 155 (71/90) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 17.182 0.000 -5.517) 18.046 2.011 ( 17.856 0.000 -0.598) 17.866 2.216 ( 16.211 0.000 3.459) 16.576 2.273 ( 14.603 0.000 3.846) 15.101 2.400 ( 9.045 0.000 -3.190) 9.592 2.468 ( 11.556 0.000 2.235) 11.770 2.545 ( 8.703 0.000 -0.542) 8.720 2.590 ( 8.026 0.000 -6.274) 10.187 2.591 ( 7.426 0.000 2.140) 7.728 2.713 ( 7.819 0.000 -0.328) 7.826 2.757 ( 10.085 0.000 1.007) 10.135 2.867 ( 4.915 0.000 1.837) 5.247 2.873 ( 10.506 0.000 2.429) 10.784 2.924 ( 3.458 0.000 -1.782) 3.890 2.964 ( 9.068 0.000 0.605) 9.088 3.054 ( 0.863 0.000 -0.903) 1.249 3.085 ( 8.207 0.000 -1.866) 8.416 3.107 ( 3.577 0.000 2.327) 4.267 3.171 ( 2.212 0.000 0.700) 2.320 3.226 ( 3.180 0.000 3.994) 5.105 3.290 ( 2.075 0.000 1.827) 2.764 3.305 ( 4.247 0.000 -2.990) 5.194 3.413 ( 6.823 0.000 -0.755) 6.865 3.444 ( 5.262 0.000 0.679) 5.305 3.474 ( 7.642 0.000 -3.517) 8.413 3.505 ( 11.633 0.000 -0.002) 11.633 3.515 ( 3.260 0.000 2.251) 3.962 3.579 ( 1.177 0.000 0.046) 1.178 3.588 ( 4.222 0.000 -2.048) 4.693 3.646 ( 0.239 0.000 -1.560) 1.578 3.720 ( 4.507 0.000 2.686) 5.247 3.827 ( 15.819 0.000 -6.931) 17.271 3.884 ( -2.514 0.000 1.790) 3.086 4.010 ( -3.547 0.000 -0.007) 3.547 4.035 ( 4.645 0.000 -4.060) 6.169 4.161 ( 5.519 0.000 6.080) 8.211 4.184 ( 5.486 0.000 3.172) 6.338 4.193 ( 3.832 0.000 -0.892) 3.935 4.338 ( 9.319 0.000 2.352) 9.611 4.380 ( 0.295 0.000 7.315) 7.321 4.397 ( -2.265 0.000 1.957) 2.993 4.623 ( -8.206 0.000 -6.987) 10.777 4.657 ( -0.402 0.000 -7.205) 7.216 4.714 ( 2.865 0.000 4.268) 5.141 4.810 ( 5.552 0.000 2.250) 5.990 4.830 ( 1.317 0.000 3.924) 4.139 4.906 ( 2.411 0.000 -4.592) 5.187 4.935 ( 7.933 0.000 -2.289) 8.257 7.033 ( 3.277 0.000 -3.331) 4.673 7.180 ( 3.576 0.000 0.316) 3.590 7.393 ( 7.839 0.000 -0.998) 7.902 7.444 ( 6.959 0.000 1.768) 7.180 7.589 ( 4.382 0.000 -0.147) 4.385 7.613 ( 6.317 0.000 3.321) 7.137 8.157 ( -0.685 0.000 -2.417) 2.512 8.191 ( 6.359 0.000 0.334) 6.367 8.283 ( 6.492 0.000 2.864) 7.095 8.379 ( 11.554 0.000 -8.826) 14.539 8.435 ( 4.458 0.000 10.324) 11.245 8.650 ( 1.128 0.000 1.897) 2.208 8.818 ( 4.957 0.000 2.733) 5.660 8.837 ( 4.360 0.000 -3.599) 5.653 9.175 ( 4.351 0.000 -0.731) 4.412 9.226 ( 5.184 0.000 0.307) 5.193 9.526 ( 14.055 0.000 4.281) 14.693 9.702 ( 0.278 0.000 0.548) 0.614 9.872 ( 7.723 0.000 -1.323) 7.835 9.884 ( 4.158 0.000 2.374) 4.788 10.002 ( 7.854 0.000 -8.882) 11.857 10.122 ( 8.871 0.000 -3.837) 9.665 10.245 ( 4.031 0.000 -0.693) 4.090 10.305 ( -0.097 0.000 1.009) 1.014 10.374 ( 7.127 0.000 4.187) 8.266 10.410 ( 9.940 0.000 -1.267) 10.020 10.687 ( -0.062 0.000 3.945) 3.945 10.738 ( 1.781 0.000 -2.852) 3.363 10.786 ( 5.784 0.000 -1.269) 5.921 10.954 ( 3.448 0.000 4.811) 5.920 11.342 ( 8.509 0.000 -3.597) 9.238 11.462 ( 2.335 0.000 0.181) 2.342 11.668 ( 1.738 0.000 -0.591) 1.836 11.720 ( 1.094 0.000 1.946) 2.232 12.180 ( -18.145 0.000 -1.435) 18.202 12.199 ( -7.611 0.000 2.409) 7.983 12.743 ( 6.843 0.000 -1.370) 6.979 12.823 ( 10.142 0.000 3.427) 10.706 13.019 ( 2.276 0.000 0.425) 2.316 13.039 ( 8.547 0.000 -0.072) 8.548 13.328 ( 2.665 0.000 1.266) 2.951 13.390 ( 3.505 0.000 1.042) 3.657 13.450 ( 9.231 0.000 -2.252) 9.502 13.505 ( 6.124 0.000 -6.280) 8.772 13.786 ( -0.717 0.000 5.082) 5.133 13.814 ( -3.928 0.000 4.179) 5.736 14.226 ( 5.676 0.000 5.190) 7.691 14.228 ( 2.633 0.000 -5.931) 6.489 15.245 ( -2.982 0.000 -5.112) 5.918 15.334 ( -6.654 0.000 -0.191) 6.657 15.547 ( -5.623 0.000 2.508) 6.157 15.610 ( -6.680 0.000 -2.175) 7.026 17.404 ( 1.508 0.000 0.120) 1.513 17.458 ( 2.211 0.000 0.262) 2.227 17.529 ( 1.843 0.000 -0.232) 1.858 17.540 ( 1.166 0.000 -0.218) 1.187 18.389 ( 0.007 0.000 -1.054) 1.054 18.426 ( -0.608 0.000 1.607) 1.718 18.437 ( 0.223 0.000 -1.188) 1.209 18.482 ( -1.055 0.000 0.682) 1.256 18.612 ( 0.906 0.000 -0.599) 1.086 18.663 ( -0.919 0.000 0.056) 0.921 18.678 ( 0.182 0.000 0.962) 0.979 18.733 ( -1.468 0.000 -0.248) 1.489 18.841 ( 0.897 0.000 0.378) 0.973 18.881 ( 0.460 0.000 -0.561) 0.725 19.063 ( 0.860 0.000 0.513) 1.001 19.113 ( 0.764 0.000 -0.566) 0.951 34.962 ( -0.125 0.000 -1.383) 1.388 34.989 ( 0.321 0.000 -0.784) 0.847 35.017 ( -0.585 0.000 0.656) 0.879 35.045 ( -0.946 0.000 1.148) 1.487 35.194 ( -1.055 0.000 -0.131) 1.063 35.203 ( -0.488 0.000 -0.632) 0.799 35.215 ( -0.746 0.000 0.681) 1.010 35.231 ( -0.624 0.000 0.321) 0.702 51.433 ( -2.511 0.000 0.214) 2.520 51.460 ( -2.172 0.000 1.373) 2.570 51.683 ( -4.048 0.000 1.359) 4.270 51.761 ( -3.848 0.000 -2.693) 4.697 51.844 ( -9.734 0.000 -7.494) 12.284 51.855 ( -6.299 0.000 2.789) 6.888 51.998 ( -8.892 0.000 -2.605) 9.266 52.171 ( -15.546 0.000 4.079) 16.073 ======================= Grid point 156 (72/90) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 14.749 0.000 -2.758) 15.005 2.329 ( 14.228 0.000 1.449) 14.302 2.505 ( 12.199 0.000 1.788) 12.329 2.537 ( 6.347 0.000 -3.511) 7.253 2.566 ( 14.592 0.000 0.442) 14.598 2.661 ( 7.145 0.000 0.665) 7.176 2.713 ( 5.956 0.000 -4.185) 7.279 2.726 ( 8.801 0.000 0.763) 8.834 2.744 ( 8.458 0.000 0.950) 8.511 2.831 ( 4.568 0.000 1.004) 4.677 2.933 ( 1.488 0.000 -3.015) 3.362 2.942 ( 7.301 0.000 -1.774) 7.513 2.987 ( 6.474 0.000 3.400) 7.312 3.041 ( -0.980 0.000 -1.043) 1.432 3.054 ( 5.052 0.000 4.697) 6.898 3.118 ( 0.074 0.000 3.192) 3.192 3.165 ( 6.672 0.000 -2.459) 7.111 3.210 ( 4.839 0.000 -2.770) 5.576 3.214 ( 1.900 0.000 0.938) 2.119 3.288 ( 2.048 0.000 2.939) 3.582 3.314 ( 0.843 0.000 1.287) 1.538 3.338 ( -0.000 0.000 -3.152) 3.152 3.489 ( 0.239 0.000 -0.387) 0.455 3.505 ( 2.019 0.000 0.921) 2.219 3.564 ( 0.445 0.000 -0.224) 0.498 3.568 ( 1.311 0.000 -4.216) 4.415 3.574 ( -2.848 0.000 3.017) 4.149 3.598 ( 5.836 0.000 -4.546) 7.398 3.669 ( 3.643 0.000 0.327) 3.657 3.680 ( 3.147 0.000 2.714) 4.156 3.789 ( -0.557 0.000 2.510) 2.571 3.872 ( -7.357 0.000 3.195) 8.021 3.877 ( 2.307 0.000 0.726) 2.419 3.969 ( 1.160 0.000 -1.906) 2.232 4.196 ( -3.181 0.000 2.674) 4.155 4.234 ( 3.511 0.000 -5.027) 6.131 4.259 ( -2.119 0.000 5.460) 5.857 4.307 ( 2.420 0.000 -2.412) 3.417 4.308 ( 1.528 0.000 3.112) 3.467 4.362 ( 5.475 0.000 -3.563) 6.533 4.490 ( 2.645 0.000 -0.627) 2.718 4.542 ( 4.665 0.000 0.630) 4.708 4.618 ( -0.928 0.000 -4.301) 4.400 4.823 ( 9.647 0.000 3.411) 10.232 4.962 ( 7.958 0.000 0.550) 7.977 4.973 ( 7.286 0.000 2.759) 7.791 4.988 ( 6.391 0.000 0.402) 6.404 5.114 ( 9.408 0.000 -4.412) 10.391 7.107 ( 5.609 0.000 -5.028) 7.532 7.260 ( 4.558 0.000 -0.371) 4.573 7.487 ( 2.306 0.000 2.215) 3.197 7.566 ( 4.144 0.000 2.823) 5.014 7.718 ( 4.033 0.000 0.954) 4.144 7.728 ( 8.047 0.000 -1.356) 8.160 8.128 ( -1.314 0.000 2.311) 2.659 8.289 ( 2.978 0.000 1.111) 3.179 8.392 ( 3.601 0.000 6.134) 7.113 8.552 ( 4.621 0.000 5.256) 6.998 8.558 ( 8.552 0.000 -10.276) 13.369 8.674 ( 1.263 0.000 -0.309) 1.300 8.929 ( 5.629 0.000 -2.369) 6.107 8.949 ( 7.173 0.000 1.932) 7.429 9.244 ( 3.209 0.000 -0.506) 3.248 9.296 ( 1.622 0.000 1.089) 1.953 9.709 ( 1.082 0.000 -0.914) 1.416 9.788 ( 10.259 0.000 3.298) 10.776 9.941 ( 1.494 0.000 0.705) 1.652 9.995 ( 5.131 0.000 -1.282) 5.288 10.103 ( 4.828 0.000 -3.590) 6.017 10.237 ( -0.531 0.000 1.126) 1.245 10.304 ( 4.105 0.000 -0.983) 4.221 10.318 ( 3.243 0.000 -2.402) 4.035 10.521 ( 5.690 0.000 3.621) 6.744 10.556 ( 6.151 0.000 -5.565) 8.295 10.691 ( -0.040 0.000 4.788) 4.788 10.768 ( 2.506 0.000 -0.555) 2.566 10.924 ( 7.684 0.000 1.384) 7.808 11.039 ( 4.734 0.000 -0.259) 4.741 11.457 ( 3.583 0.000 -3.136) 4.761 11.489 ( 0.461 0.000 0.649) 0.797 11.646 ( -3.038 0.000 3.946) 4.980 11.664 ( -7.301 0.000 -0.634) 7.328 11.823 ( -16.624 0.000 -0.141) 16.624 11.954 ( -13.635 0.000 0.380) 13.640 12.843 ( 3.333 0.000 -0.099) 3.335 12.940 ( 1.803 0.000 1.784) 2.537 13.060 ( 1.062 0.000 -2.630) 2.836 13.204 ( 4.857 0.000 -1.881) 5.208 13.326 ( -2.122 0.000 6.138) 6.494 13.400 ( 4.699 0.000 0.140) 4.701 13.548 ( 3.415 0.000 -3.902) 5.185 13.713 ( 0.207 0.000 -0.612) 0.646 13.858 ( 15.592 0.000 -4.702) 16.286 13.933 ( 10.034 0.000 6.566) 11.991 14.274 ( 2.856 0.000 -3.872) 4.811 14.326 ( 3.008 0.000 3.336) 4.492 15.230 ( 2.059 0.000 -1.096) 2.332 15.264 ( -0.449 0.000 -0.399) 0.601 15.474 ( -2.457 0.000 0.798) 2.584 15.506 ( -3.327 0.000 -1.528) 3.661 17.436 ( 1.592 0.000 0.741) 1.756 17.496 ( 1.545 0.000 -0.317) 1.577 17.556 ( 0.717 0.000 -0.164) 0.735 17.561 ( 1.456 0.000 -0.258) 1.479 18.391 ( 0.508 0.000 -1.057) 1.173 18.423 ( -0.321 0.000 1.787) 1.816 18.438 ( 0.216 0.000 -1.211) 1.230 18.462 ( -1.065 0.000 0.570) 1.208 18.629 ( 0.948 0.000 -0.226) 0.975 18.646 ( -0.724 0.000 -0.079) 0.729 18.675 ( -0.757 0.000 0.192) 0.780 18.707 ( -1.061 0.000 0.266) 1.094 18.860 ( 0.790 0.000 0.595) 0.988 18.885 ( 0.252 0.000 -0.981) 1.013 19.084 ( 0.990 0.000 1.313) 1.644 19.124 ( 0.558 0.000 -1.097) 1.231 34.955 ( -0.044 0.000 -1.361) 1.362 34.992 ( 0.235 0.000 -1.140) 1.163 35.006 ( -0.822 0.000 0.911) 1.227 35.024 ( -1.402 0.000 1.105) 1.785 35.179 ( -0.549 0.000 0.513) 0.751 35.193 ( -0.299 0.000 -0.758) 0.814 35.205 ( -0.468 0.000 0.796) 0.923 35.222 ( -0.384 0.000 -0.248) 0.457 51.398 ( -1.179 0.000 1.706) 2.074 51.419 ( -1.642 0.000 -1.619) 2.306 51.618 ( -3.210 0.000 3.035) 4.418 51.666 ( -6.067 0.000 -5.320) 8.069 51.689 ( -3.085 0.000 -2.357) 3.882 51.748 ( -5.658 0.000 2.391) 6.142 51.838 ( -6.952 0.000 -0.474) 6.968 51.905 ( -11.879 0.000 1.552) 11.980 ======================= Grid point 157 (73/90) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 10.500 0.000 -1.209) 10.569 2.566 ( 7.970 0.000 2.374) 8.316 2.646 ( 7.273 0.000 -3.504) 8.073 2.668 ( 3.448 0.000 1.441) 3.737 2.779 ( 0.790 0.000 -1.776) 1.944 2.809 ( 8.271 0.000 0.320) 8.278 2.826 ( 9.274 0.000 -0.084) 9.275 2.831 ( 2.960 0.000 -2.679) 3.992 2.909 ( 5.209 0.000 -0.221) 5.214 2.929 ( 8.034 0.000 3.094) 8.610 2.977 ( 3.082 0.000 0.280) 3.094 2.981 ( -0.330 0.000 0.170) 0.371 3.051 ( -4.559 0.000 0.367) 4.573 3.075 ( 3.360 0.000 -1.925) 3.872 3.116 ( 4.002 0.000 1.143) 4.162 3.134 ( 0.801 0.000 2.962) 3.068 3.222 ( 0.736 0.000 -2.292) 2.407 3.244 ( -1.014 0.000 -0.633) 1.195 3.267 ( 1.840 0.000 0.757) 1.990 3.300 ( -1.274 0.000 -4.036) 4.232 3.327 ( 1.667 0.000 0.273) 1.689 3.349 ( 1.218 0.000 2.169) 2.488 3.449 ( -5.481 0.000 0.153) 5.483 3.487 ( -1.043 0.000 -0.073) 1.045 3.539 ( 1.435 0.000 2.807) 3.153 3.556 ( -0.036 0.000 -1.006) 1.006 3.646 ( 2.310 0.000 -0.475) 2.359 3.651 ( -0.561 0.000 -1.681) 1.772 3.688 ( -1.186 0.000 -0.845) 1.456 3.733 ( -4.172 0.000 3.950) 5.745 3.770 ( 6.388 0.000 -0.497) 6.407 3.779 ( -0.034 0.000 -1.115) 1.115 3.923 ( -0.088 0.000 1.525) 1.528 3.986 ( 0.835 0.000 -2.234) 2.385 4.051 ( -7.943 0.000 5.663) 9.754 4.119 ( -9.067 0.000 -0.573) 9.085 4.271 ( 0.831 0.000 2.577) 2.707 4.274 ( 1.172 0.000 -5.245) 5.374 4.377 ( 2.981 0.000 2.702) 4.023 4.458 ( 0.368 0.000 0.562) 0.672 4.611 ( 3.119 0.000 -3.622) 4.780 4.616 ( 1.181 0.000 0.392) 1.245 4.722 ( 13.913 0.000 -2.368) 14.113 4.960 ( 2.250 0.000 -0.473) 2.300 5.094 ( 5.067 0.000 -1.054) 5.175 5.096 ( 4.686 0.000 1.585) 4.947 5.143 ( 6.778 0.000 7.389) 10.027 5.242 ( 4.752 0.000 -5.538) 7.297 7.219 ( 7.169 0.000 -5.441) 9.000 7.345 ( 3.230 0.000 0.304) 3.245 7.516 ( -0.004 0.000 4.038) 4.038 7.602 ( -1.104 0.000 1.245) 1.664 7.793 ( 3.606 0.000 -1.269) 3.823 7.829 ( 2.168 0.000 -0.396) 2.204 8.159 ( 3.853 0.000 2.382) 4.530 8.306 ( -1.544 0.000 1.869) 2.425 8.482 ( 3.655 0.000 8.143) 8.925 8.633 ( 1.656 0.000 -5.411) 5.659 8.638 ( 2.732 0.000 2.962) 4.030 8.688 ( 0.777 0.000 -6.789) 6.833 9.027 ( 4.742 0.000 -1.942) 5.124 9.078 ( 4.434 0.000 0.415) 4.453 9.299 ( 2.373 0.000 -0.868) 2.526 9.307 ( -0.328 0.000 2.647) 2.667 9.753 ( 3.977 0.000 -2.387) 4.639 9.888 ( -1.124 0.000 3.715) 3.882 9.984 ( 3.215 0.000 -1.677) 3.626 10.055 ( 0.793 0.000 -0.848) 1.161 10.188 ( 3.707 0.000 1.496) 3.997 10.199 ( -0.798 0.000 0.192) 0.821 10.347 ( 0.854 0.000 -2.159) 2.322 10.379 ( 1.135 0.000 2.062) 2.354 10.630 ( 6.249 0.000 1.395) 6.403 10.640 ( 5.082 0.000 -8.030) 9.503 10.720 ( 0.145 0.000 6.901) 6.903 10.821 ( 2.015 0.000 -1.016) 2.257 11.075 ( 6.375 0.000 1.791) 6.622 11.138 ( 4.882 0.000 -1.504) 5.108 11.411 ( -9.699 0.000 0.464) 9.710 11.435 ( -6.547 0.000 -0.808) 6.596 11.540 ( -1.001 0.000 0.803) 1.283 11.560 ( -4.608 0.000 -1.522) 4.853 11.625 ( -2.907 0.000 4.383) 5.260 11.740 ( -8.001 0.000 -3.020) 8.552 12.891 ( 2.054 0.000 -0.505) 2.115 12.948 ( -1.001 0.000 1.990) 2.227 13.068 ( 1.318 0.000 -2.260) 2.617 13.173 ( -3.784 0.000 0.341) 3.799 13.399 ( 4.185 0.000 2.454) 4.851 13.461 ( 1.646 0.000 -1.280) 2.085 13.611 ( 3.088 0.000 -1.435) 3.405 13.680 ( -1.860 0.000 0.935) 2.082 14.123 ( 7.260 0.000 3.723) 8.159 14.138 ( 12.064 0.000 -4.374) 12.833 14.293 ( -0.355 0.000 -2.104) 2.134 14.357 ( -0.917 0.000 2.306) 2.482 15.295 ( 3.672 0.000 0.697) 3.738 15.298 ( 3.171 0.000 -0.366) 3.192 15.446 ( -0.893 0.000 0.248) 0.927 15.460 ( -1.341 0.000 -1.462) 1.984 17.469 ( 1.402 0.000 1.252) 1.879 17.510 ( 0.088 0.000 -1.283) 1.286 17.571 ( 0.770 0.000 0.462) 0.899 17.582 ( 0.666 0.000 -0.404) 0.779 18.401 ( 0.901 0.000 -1.179) 1.484 18.423 ( -0.316 0.000 1.993) 2.018 18.437 ( 0.097 0.000 -1.191) 1.195 18.444 ( -0.882 0.000 0.460) 0.994 18.635 ( -0.140 0.000 -0.024) 0.142 18.649 ( 1.025 0.000 -0.066) 1.027 18.655 ( -1.031 0.000 -0.018) 1.031 18.689 ( -0.933 0.000 0.168) 0.948 18.875 ( 0.503 0.000 0.775) 0.924 18.886 ( 0.155 0.000 -1.024) 1.036 19.107 ( 0.753 0.000 1.657) 1.820 19.127 ( 0.217 0.000 -1.476) 1.492 34.954 ( 0.441 0.000 -1.391) 1.459 34.987 ( -1.417 0.000 1.255) 1.893 34.992 ( 0.261 0.000 -1.376) 1.400 35.004 ( -0.872 0.000 1.174) 1.462 35.175 ( -0.078 0.000 0.927) 0.930 35.186 ( -0.207 0.000 -0.940) 0.963 35.203 ( -0.042 0.000 0.939) 0.940 35.214 ( -0.250 0.000 -0.702) 0.745 51.400 ( 0.598 0.000 2.299) 2.375 51.401 ( 0.633 0.000 -2.555) 2.632 51.562 ( -2.920 0.000 -5.054) 5.837 51.576 ( -2.188 0.000 3.892) 4.465 51.624 ( -2.945 0.000 -2.133) 3.637 51.628 ( -7.272 0.000 3.986) 8.293 51.735 ( -3.232 0.000 0.589) 3.286 51.748 ( -3.930 0.000 -1.339) 4.152 ======================= Grid point 158 (74/90) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 0.991 0.000 -0.883) 1.327 2.632 ( -0.991 0.000 0.883) 1.327 2.725 ( -3.993 0.000 -0.965) 4.108 2.725 ( 3.993 0.000 0.965) 4.108 2.803 ( -5.903 0.000 0.044) 5.903 2.803 ( 5.903 0.000 -0.044) 5.903 2.903 ( 2.311 0.000 -0.803) 2.447 2.903 ( -2.311 0.000 0.803) 2.447 2.968 ( 2.069 0.000 -0.917) 2.263 2.968 ( -2.069 0.000 0.917) 2.263 3.035 ( 1.942 0.000 -1.894) 2.713 3.035 ( -1.942 0.000 1.894) 2.713 3.071 ( -3.367 0.000 -4.147) 5.342 3.071 ( 3.367 0.000 4.147) 5.342 3.129 ( 0.357 0.000 -0.952) 1.017 3.129 ( -0.357 0.000 0.952) 1.017 3.216 ( -0.293 0.000 -3.026) 3.041 3.216 ( 0.293 0.000 3.026) 3.041 3.286 ( -0.316 0.000 -3.724) 3.738 3.286 ( 0.316 0.000 3.724) 3.738 3.357 ( 0.097 0.000 -0.130) 0.162 3.357 ( -0.097 0.000 0.130) 0.162 3.418 ( -4.062 0.000 0.462) 4.088 3.418 ( 4.062 0.000 -0.462) 4.088 3.572 ( -0.274 0.000 -1.026) 1.062 3.572 ( 0.274 0.000 1.026) 1.062 3.640 ( -1.755 0.000 0.016) 1.755 3.640 ( 1.755 0.000 -0.016) 1.755 3.680 ( 1.177 0.000 -3.189) 3.400 3.680 ( -1.177 0.000 3.189) 3.400 3.840 ( 5.887 0.000 -5.092) 7.784 3.840 ( -5.887 0.000 5.092) 7.784 3.921 ( -7.071 0.000 -2.624) 7.543 3.921 ( 7.071 0.000 2.624) 7.543 4.013 ( 1.150 0.000 -0.791) 1.396 4.013 ( -1.150 0.000 0.791) 1.396 4.282 ( 0.797 0.000 -4.200) 4.275 4.282 ( -0.797 0.000 4.200) 4.275 4.434 ( -2.141 0.000 -1.144) 2.427 4.434 ( 2.141 0.000 1.144) 2.427 4.636 ( 0.413 0.000 -3.430) 3.454 4.636 ( -0.413 0.000 3.430) 3.454 4.919 ( -6.162 0.000 -0.045) 6.162 4.919 ( 6.162 0.000 0.045) 6.162 5.144 ( 0.417 0.000 -2.189) 2.228 5.144 ( -0.417 0.000 2.189) 2.228 5.255 ( -1.689 0.000 -6.572) 6.786 5.255 ( 1.689 0.000 6.572) 6.786 7.334 ( 5.055 0.000 -3.914) 6.393 7.334 ( -5.055 0.000 3.914) 6.393 7.552 ( -2.960 0.000 -1.854) 3.493 7.552 ( 2.960 0.000 1.854) 3.493 7.837 ( 1.086 0.000 -1.212) 1.627 7.837 ( -1.086 0.000 1.212) 1.627 8.251 ( -4.228 0.000 0.471) 4.254 8.251 ( 4.228 0.000 -0.471) 4.255 8.584 ( -3.811 0.000 -7.358) 8.286 8.584 ( 3.811 0.000 7.358) 8.286 8.677 ( -0.208 0.000 -4.466) 4.470 8.677 ( 0.208 0.000 4.466) 4.470 9.096 ( 2.370 0.000 -1.479) 2.793 9.096 ( -2.370 0.000 1.479) 2.793 9.318 ( -0.152 0.000 -1.633) 1.640 9.318 ( 0.152 0.000 1.633) 1.640 9.835 ( 4.622 0.000 -3.723) 5.935 9.835 ( -4.622 0.000 3.723) 5.935 10.032 ( -2.179 0.000 0.533) 2.244 10.032 ( 2.179 0.000 -0.533) 2.244 10.215 ( -0.996 0.000 -0.173) 1.011 10.215 ( 0.996 0.000 0.173) 1.011 10.368 ( -1.632 0.000 0.153) 1.639 10.368 ( 1.632 0.000 -0.153) 1.639 10.706 ( 3.594 0.000 -8.391) 9.128 10.706 ( -3.594 0.000 8.391) 9.128 10.781 ( -6.031 0.000 -3.027) 6.748 10.781 ( 6.031 0.000 3.027) 6.748 11.160 ( -2.457 0.000 -0.941) 2.631 11.160 ( 2.457 0.000 0.941) 2.631 11.322 ( -0.858 0.000 -3.845) 3.939 11.322 ( 0.858 0.000 3.845) 3.939 11.538 ( 0.473 0.000 -1.471) 1.545 11.538 ( -0.473 0.000 1.471) 1.545 11.622 ( -1.870 0.000 -5.762) 6.057 11.622 ( 1.870 0.000 5.762) 6.057 12.925 ( 1.724 0.000 -1.405) 2.225 12.925 ( -1.724 0.000 1.405) 2.224 13.106 ( 3.028 0.000 -1.329) 3.307 13.106 ( -3.028 0.000 1.329) 3.307 13.461 ( -1.375 0.000 -1.334) 1.915 13.461 ( 1.375 0.000 1.334) 1.915 13.650 ( 1.648 0.000 -0.981) 1.918 13.650 ( -1.648 0.000 0.981) 1.918 14.241 ( -3.688 0.000 -2.860) 4.666 14.241 ( 3.688 0.000 2.860) 4.667 14.301 ( 5.463 0.000 -2.208) 5.893 14.301 ( -5.463 0.000 2.208) 5.892 15.341 ( 0.187 0.000 -0.984) 1.001 15.341 ( -0.187 0.000 0.984) 1.001 15.438 ( -0.184 0.000 -1.185) 1.199 15.438 ( 0.184 0.000 1.185) 1.199 17.497 ( -0.906 0.000 -1.519) 1.769 17.497 ( 0.906 0.000 1.519) 1.769 17.584 ( -0.244 0.000 -0.568) 0.618 17.584 ( 0.244 0.000 0.568) 0.618 18.417 ( 0.945 0.000 -1.605) 1.863 18.417 ( -0.945 0.000 1.605) 1.863 18.435 ( 0.173 0.000 -0.850) 0.867 18.435 ( -0.173 0.000 0.850) 0.867 18.639 ( -0.546 0.000 0.026) 0.547 18.639 ( 0.546 0.000 -0.026) 0.547 18.670 ( -1.057 0.000 -0.021) 1.057 18.670 ( 1.057 0.000 0.021) 1.057 18.883 ( -0.121 0.000 -0.915) 0.923 18.883 ( 0.121 0.000 0.915) 0.923 19.122 ( -0.271 0.000 -1.672) 1.694 19.122 ( 0.271 0.000 1.672) 1.694 34.965 ( 1.108 0.000 -1.372) 1.764 34.965 ( -1.108 0.000 1.372) 1.764 34.995 ( 0.492 0.000 -1.395) 1.479 34.995 ( -0.492 0.000 1.395) 1.479 35.179 ( -0.141 0.000 -1.038) 1.048 35.179 ( 0.141 0.000 1.038) 1.048 35.207 ( -0.179 0.000 -0.928) 0.945 35.207 ( 0.179 0.000 0.928) 0.945 51.416 ( 0.526 0.000 -1.888) 1.959 51.416 ( -0.526 0.000 1.888) 1.959 51.529 ( 2.113 0.000 -5.520) 5.910 51.529 ( -2.113 0.000 5.520) 5.910 51.577 ( -0.552 0.000 -2.944) 2.995 51.577 ( 0.552 0.000 2.944) 2.995 51.710 ( -0.095 0.000 -1.391) 1.395 51.710 ( 0.095 0.000 1.391) 1.395 ======================= Grid point 166 (75/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -4.551 14.936 -9.760) 18.413 1.051 ( 4.551 14.936 9.760) 18.413 1.147 ( 1.245 8.125 -12.683) 15.114 1.147 ( -1.245 8.125 12.683) 15.114 1.668 ( -1.843 -5.090 -10.466) 11.783 1.668 ( 1.843 -5.090 10.466) 11.783 1.811 ( -1.307 -7.778 -6.637) 10.308 1.811 ( 1.307 -7.778 6.637) 10.308 1.988 ( 3.402 5.746 -24.886) 25.766 1.988 ( -3.402 5.746 24.886) 25.766 2.181 ( -0.577 10.261 -8.357) 13.246 2.181 ( 0.577 10.261 8.357) 13.246 2.394 ( 0.890 4.271 -2.079) 4.833 2.394 ( -0.890 4.271 2.079) 4.833 2.587 ( -2.157 -4.807 -2.952) 6.040 2.587 ( 2.157 -4.807 2.952) 6.040 2.712 ( -2.550 3.761 -1.670) 4.841 2.712 ( 2.550 3.761 1.670) 4.841 2.773 ( -0.523 -4.077 -2.395) 4.757 2.773 ( 0.523 -4.077 2.395) 4.757 2.853 ( -1.526 -2.006 -4.144) 4.850 2.853 ( 1.526 -2.006 4.144) 4.850 2.910 ( 0.741 -0.826 -1.245) 1.668 2.910 ( -0.741 -0.826 1.245) 1.668 2.982 ( 1.180 -3.728 -2.457) 4.618 2.982 ( -1.180 -3.728 2.457) 4.618 3.195 ( -2.484 -5.641 0.213) 6.167 3.195 ( 2.484 -5.641 -0.213) 6.167 3.322 ( 0.526 4.008 -3.568) 5.392 3.322 ( -0.526 4.008 3.568) 5.392 3.457 ( 0.022 -2.460 -3.816) 4.540 3.457 ( -0.022 -2.460 3.816) 4.540 3.586 ( 0.266 -8.487 -4.634) 9.673 3.586 ( -0.266 -8.487 4.634) 9.673 3.733 ( -0.075 -5.616 -3.142) 6.435 3.733 ( 0.075 -5.616 3.142) 6.435 3.986 ( 0.062 1.269 -3.559) 3.779 3.986 ( -0.062 1.269 3.559) 3.779 4.360 ( 0.892 3.139 -0.723) 3.342 4.360 ( -0.892 3.139 0.723) 3.342 4.588 ( 1.014 11.408 -5.073) 12.526 4.588 ( -1.014 11.408 5.073) 12.526 4.748 ( -1.051 0.785 -4.288) 4.485 4.748 ( 1.051 0.785 4.288) 4.485 4.962 ( 0.121 1.991 -4.455) 4.881 4.962 ( -0.121 1.991 4.455) 4.881 5.301 ( 0.638 -6.341 -5.092) 8.157 5.301 ( -0.638 -6.341 5.092) 8.157 6.955 ( 0.041 2.084 -2.768) 3.465 6.955 ( -0.041 2.084 2.768) 3.465 7.049 ( 0.856 2.528 -4.130) 4.917 7.049 ( -0.856 2.528 4.130) 4.917 7.195 ( -8.068 2.159 -0.212) 8.355 7.195 ( 8.068 2.159 0.212) 8.355 7.608 ( -3.625 -4.037 0.059) 5.426 7.608 ( 3.625 -4.037 -0.059) 5.426 8.086 ( -0.110 1.216 -6.896) 7.003 8.086 ( 0.110 1.216 6.896) 7.003 8.336 ( -5.189 -8.115 0.739) 9.661 8.336 ( 5.189 -8.115 -0.739) 9.661 8.497 ( -1.670 6.710 -2.737) 7.437 8.497 ( 1.670 6.710 2.737) 7.437 8.825 ( -2.086 -3.597 -2.085) 4.651 8.825 ( 2.086 -3.597 2.085) 4.651 9.103 ( 0.483 2.549 -4.031) 4.794 9.103 ( -0.483 2.549 4.031) 4.794 9.286 ( -3.268 2.661 -5.719) 7.103 9.286 ( 3.268 2.661 5.719) 7.103 9.508 ( -5.640 13.360 -3.484) 14.914 9.508 ( 5.640 13.360 3.484) 14.914 9.796 ( -0.880 2.319 -4.171) 4.852 9.796 ( 0.880 2.319 4.171) 4.852 10.047 ( 0.544 -3.093 -8.198) 8.779 10.047 ( -0.544 -3.093 8.198) 8.779 10.190 ( 1.815 -7.336 -2.957) 8.115 10.190 ( -1.815 -7.336 2.957) 8.115 10.518 ( -3.210 1.116 -2.995) 4.530 10.518 ( 3.210 1.116 2.995) 4.530 10.673 ( -3.973 -5.409 -7.943) 10.398 10.673 ( 3.973 -5.409 7.943) 10.398 11.310 ( -0.153 5.093 -3.934) 6.437 11.310 ( 0.153 5.093 3.934) 6.437 11.586 ( -0.608 -5.484 -6.340) 8.404 11.586 ( 0.608 -5.484 6.340) 8.404 12.793 ( -1.803 4.823 -3.511) 6.232 12.793 ( 1.803 4.823 3.511) 6.232 12.963 ( -4.402 -4.071 -2.854) 6.640 12.963 ( 4.402 -4.071 2.854) 6.640 13.376 ( 2.945 3.640 -1.592) 4.946 13.376 ( -2.945 3.640 1.592) 4.946 13.640 ( -1.778 -3.491 -9.012) 9.827 13.640 ( 1.778 -3.491 9.012) 9.827 13.961 ( 3.539 3.379 -3.353) 5.932 13.961 ( -3.539 3.379 3.353) 5.932 14.293 ( 0.357 -0.522 -1.799) 1.907 14.293 ( -0.357 -0.522 1.799) 1.907 16.091 ( 1.464 2.465 -5.475) 6.181 16.091 ( -1.464 2.465 5.475) 6.181 16.299 ( -0.770 -4.145 -2.896) 5.114 16.299 ( 0.770 -4.145 2.896) 5.114 17.367 ( -0.848 -0.508 -0.639) 1.177 17.367 ( 0.848 -0.508 0.639) 1.177 17.410 ( -1.071 0.515 -0.119) 1.195 17.410 ( 1.071 0.515 0.119) 1.195 18.458 ( -0.404 0.650 -1.292) 1.502 18.458 ( 0.404 0.650 1.292) 1.502 18.483 ( -1.154 -0.033 -1.071) 1.575 18.483 ( 1.154 -0.033 1.071) 1.575 18.636 ( -0.707 1.547 -2.308) 2.867 18.636 ( 0.707 1.547 2.308) 2.867 18.720 ( -1.315 -1.756 -1.200) 2.501 18.720 ( 1.315 -1.756 1.200) 2.501 18.770 ( 0.763 0.094 -0.644) 1.004 18.770 ( -0.763 0.094 0.644) 1.004 19.036 ( -0.216 0.031 -0.545) 0.587 19.036 ( 0.216 0.031 0.545) 0.587 34.989 ( -0.586 0.172 -0.841) 1.040 34.989 ( 0.586 0.172 0.841) 1.040 35.002 ( -1.348 -0.277 -0.244) 1.398 35.002 ( 1.348 -0.277 0.244) 1.398 35.251 ( -0.007 -0.112 -0.224) 0.250 35.251 ( 0.007 -0.112 0.224) 0.250 35.256 ( 0.530 -0.300 -0.436) 0.749 35.256 ( -0.530 -0.300 0.436) 0.749 51.528 ( 1.155 3.068 -2.919) 4.389 51.528 ( -1.155 3.068 2.919) 4.389 51.861 ( -0.237 -8.071 -5.096) 9.548 51.861 ( 0.237 -8.071 5.096) 9.548 52.502 ( -0.963 12.387 -11.981) 17.260 52.502 ( 0.963 12.387 11.981) 17.260 53.119 ( 0.076 -14.159 -6.197) 15.456 53.119 ( -0.076 -14.159 6.197) 15.456 ======================= Grid point 168 (76/90) ======================= q-point: ( 0.07 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 9.558 11.563 -11.189) 18.715 1.237 ( 12.478 11.990 -12.902) 21.585 1.277 ( 9.750 8.960 10.849) 17.119 1.325 ( 15.354 8.043 9.185) 19.617 1.694 ( 9.041 -8.468 -9.747) 15.762 1.740 ( 5.236 -9.754 -3.730) 11.682 1.845 ( 5.387 -7.708 2.954) 9.857 1.919 ( 6.855 -5.899 3.614) 9.739 2.029 ( 3.891 4.798 7.763) 9.921 2.135 ( 15.290 6.697 -15.796) 22.981 2.240 ( 8.281 10.047 1.836) 13.149 2.270 ( 4.123 5.918 8.472) 11.127 2.444 ( 4.397 9.021 -2.435) 10.327 2.463 ( 6.496 2.942 6.273) 9.497 2.578 ( 0.899 -9.482 -2.072) 9.747 2.676 ( 6.225 -1.138 0.371) 6.339 2.694 ( 1.600 -0.544 2.911) 3.366 2.763 ( 3.754 1.001 0.893) 3.987 2.826 ( 5.610 0.828 -1.079) 5.773 2.851 ( 5.389 -3.679 -0.608) 6.553 2.876 ( 5.864 -1.481 -2.725) 6.634 2.926 ( 3.407 1.432 0.513) 3.732 2.958 ( 6.225 -2.805 1.678) 7.031 2.963 ( 4.871 -1.190 0.692) 5.062 3.024 ( 3.924 -5.365 2.880) 7.244 3.059 ( 6.597 0.746 -0.443) 6.654 3.201 ( 3.286 -2.233 -0.283) 3.983 3.287 ( 5.646 -0.776 -1.475) 5.887 3.333 ( 2.289 1.745 1.144) 3.098 3.362 ( 2.871 5.071 -0.786) 5.880 3.484 ( 3.253 -1.663 0.388) 3.674 3.529 ( 6.393 -5.620 2.599) 8.900 3.608 ( 3.085 -6.208 -1.721) 7.142 3.638 ( 4.511 -10.651 -0.213) 11.569 3.731 ( 0.892 -5.982 -1.816) 6.315 3.750 ( 1.278 -5.666 1.563) 6.015 3.986 ( 1.111 1.524 -2.667) 3.266 4.006 ( 0.997 0.406 3.760) 3.911 4.321 ( -2.963 3.875 1.032) 4.986 4.360 ( -0.979 1.998 -0.129) 2.229 4.574 ( -1.135 10.656 3.252) 11.199 4.591 ( 0.043 10.408 -3.264) 10.908 4.693 ( -3.078 1.333 -2.830) 4.389 4.755 ( -1.692 -0.330 3.731) 4.110 4.932 ( -1.533 1.456 -5.282) 5.690 4.957 ( -1.479 2.795 3.123) 4.445 5.238 ( -5.248 -6.420 -1.392) 8.408 5.271 ( -3.907 -5.275 0.447) 6.580 6.960 ( 1.712 3.006 -1.666) 3.839 6.972 ( 1.306 2.928 1.922) 3.738 7.048 ( 3.162 2.642 -1.648) 4.438 7.085 ( 1.319 -0.356 0.170) 1.376 7.161 ( 3.128 1.910 -0.415) 3.688 7.422 ( 11.290 -5.941 -5.214) 13.782 7.599 ( 4.760 -0.300 2.306) 5.297 7.720 ( 6.920 -1.077 -1.012) 7.076 8.076 ( 1.166 0.612 -1.849) 2.270 8.146 ( 3.108 1.748 6.020) 6.997 8.234 ( -3.898 -3.957 3.018) 6.322 8.425 ( 3.420 -8.721 0.929) 9.413 8.565 ( 9.402 3.677 -3.523) 10.692 8.613 ( 6.125 4.142 0.405) 7.405 8.789 ( -0.312 -2.026 -4.525) 4.967 8.882 ( 3.583 -3.087 -0.107) 4.731 9.091 ( 1.076 4.274 -1.252) 4.582 9.161 ( 5.795 0.735 4.813) 7.569 9.401 ( 12.881 2.023 -6.442) 14.543 9.429 ( 7.636 0.428 1.021) 7.716 9.543 ( 7.229 8.979 4.973) 12.555 9.788 ( 13.520 10.631 8.043) 18.987 9.819 ( 9.063 4.286 2.899) 10.436 9.871 ( 4.711 0.603 0.465) 4.772 10.004 ( -1.000 -3.326 -2.601) 4.339 10.152 ( 7.890 -2.969 0.547) 8.448 10.189 ( 2.352 -5.201 0.627) 5.742 10.253 ( 5.622 -1.988 -0.532) 5.987 10.495 ( 3.129 -1.836 -4.127) 5.495 10.586 ( 3.659 -0.401 -1.300) 3.904 10.785 ( 15.863 -2.376 -3.631) 16.446 10.932 ( 17.160 -2.000 3.886) 17.708 11.303 ( 1.213 6.331 -4.009) 7.591 11.341 ( 1.988 3.495 2.752) 4.873 11.574 ( 3.557 -5.459 -2.526) 6.988 11.646 ( 4.028 -6.120 3.271) 8.024 12.732 ( -4.029 4.202 -1.388) 5.985 12.826 ( -2.827 -2.985 -0.603) 4.156 12.845 ( 2.031 5.797 2.110) 6.495 13.131 ( 7.126 -7.927 -1.984) 10.842 13.301 ( -5.594 7.360 8.856) 12.802 13.382 ( -3.196 0.260 2.380) 3.993 13.509 ( -8.776 -3.263 -6.195) 11.227 13.660 ( -1.779 -4.076 5.944) 7.424 13.927 ( 0.391 6.384 1.839) 6.655 14.006 ( 1.440 1.653 -4.817) 5.292 14.245 ( -4.835 -0.137 1.282) 5.004 14.271 ( -2.524 -1.602 1.833) 3.507 15.964 ( -10.354 1.278 2.583) 10.748 16.069 ( -6.924 2.193 -1.964) 7.524 16.108 ( -13.310 -4.311 -4.327) 14.644 16.176 ( -11.875 -1.491 -1.025) 12.012 17.356 ( 0.295 0.274 -0.303) 0.504 17.367 ( -0.406 0.163 -0.846) 0.952 17.421 ( 1.897 0.023 0.649) 2.005 17.437 ( 1.427 -0.259 -0.437) 1.515 18.440 ( -0.866 0.600 -1.359) 1.720 18.457 ( -0.912 -0.125 -1.153) 1.476 18.465 ( -0.294 0.811 1.496) 1.727 18.502 ( 0.257 -0.774 1.343) 1.571 18.614 ( -0.637 1.050 -1.921) 2.280 18.651 ( -0.544 1.082 1.467) 1.903 18.679 ( -0.076 -0.270 -0.332) 0.435 18.750 ( 0.574 -1.886 -0.093) 1.973 18.787 ( 1.644 0.462 0.342) 1.741 18.804 ( 2.311 -0.107 -0.996) 2.519 19.037 ( 0.458 0.241 -0.700) 0.870 19.049 ( 0.905 -0.219 0.438) 1.029 34.978 ( -0.259 0.125 -0.894) 0.939 34.982 ( -0.474 -0.035 0.015) 0.476 35.009 ( 0.837 0.256 1.143) 1.440 35.033 ( 1.440 -0.687 -0.074) 1.597 35.239 ( -0.881 0.087 0.847) 1.225 35.244 ( -0.470 0.035 -0.265) 0.541 35.252 ( -0.232 -0.103 -0.077) 0.265 35.260 ( -0.131 -0.535 0.022) 0.551 51.516 ( -0.839 3.094 3.265) 4.576 51.541 ( 0.564 2.175 -2.104) 3.078 51.835 ( -1.021 -6.519 -3.279) 7.368 51.878 ( -0.336 -7.688 5.362) 9.380 52.382 ( -6.848 10.469 -13.832) 18.649 52.493 ( -5.059 11.890 8.756) 15.609 52.930 ( -15.177 -12.941 -12.465) 23.520 52.997 ( -12.583 -10.011 7.278) 17.650 ======================= Grid point 169 (77/90) ======================= q-point: ( 0.14 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 17.507 6.634 -7.772) 20.271 1.457 ( 14.192 9.040 -11.126) 20.172 1.544 ( 14.139 5.057 3.259) 15.366 1.670 ( 16.203 3.634 4.568) 17.223 1.887 ( 11.802 -7.296 1.299) 13.936 1.947 ( 13.296 -8.983 -0.980) 16.076 2.034 ( 12.639 -8.899 1.374) 15.518 2.118 ( 13.381 -3.035 2.585) 13.962 2.178 ( 8.904 -1.413 7.973) 12.035 2.337 ( 8.254 4.896 -3.959) 10.381 2.430 ( 9.940 2.476 -0.064) 10.244 2.483 ( 11.631 8.021 -1.372) 14.195 2.581 ( 10.286 5.291 -4.611) 12.453 2.607 ( 5.966 -4.277 -0.816) 7.386 2.664 ( 12.556 0.621 2.004) 12.730 2.734 ( 4.452 3.342 -0.433) 5.583 2.846 ( 4.915 -0.230 1.525) 5.151 2.879 ( 8.461 -4.753 1.552) 9.828 2.934 ( 5.981 0.343 -3.481) 6.929 2.961 ( 6.311 -1.533 0.531) 6.516 3.017 ( 7.863 0.375 -0.049) 7.872 3.060 ( 9.831 3.461 2.211) 10.654 3.100 ( 8.484 -0.706 -0.047) 8.514 3.114 ( 8.160 -0.539 -0.885) 8.226 3.130 ( 6.542 -4.468 1.204) 8.013 3.243 ( 10.443 4.454 1.833) 11.501 3.277 ( 4.598 1.907 -0.516) 5.004 3.386 ( 5.843 2.451 0.285) 6.342 3.406 ( 3.118 0.933 2.209) 3.933 3.442 ( 6.095 3.882 -2.156) 7.542 3.563 ( 3.147 -2.219 3.638) 5.297 3.667 ( 3.565 -7.688 0.121) 8.475 3.701 ( 6.370 0.692 1.967) 6.702 3.746 ( 7.469 -5.883 -3.353) 10.082 3.784 ( 7.102 -9.862 -1.089) 12.202 3.833 ( 7.065 -6.737 0.452) 9.773 4.022 ( 3.399 1.252 -1.442) 3.899 4.051 ( 2.407 0.063 3.882) 4.568 4.260 ( -3.310 3.042 2.119) 4.970 4.327 ( -1.998 0.126 0.841) 2.171 4.545 ( -3.720 6.576 1.890) 7.789 4.590 ( 2.044 7.330 -3.551) 8.397 4.637 ( -1.560 3.607 0.495) 3.961 4.712 ( -3.193 -1.376 2.338) 4.190 4.870 ( -3.116 0.559 -5.641) 6.468 4.929 ( -1.930 3.469 1.635) 4.293 5.094 ( -8.592 -5.455 -2.110) 10.394 5.158 ( -7.408 -3.448 0.415) 8.182 6.991 ( 1.505 3.431 1.210) 3.937 7.055 ( 6.120 1.496 0.221) 6.304 7.107 ( 2.436 2.158 -1.256) 3.488 7.162 ( 7.410 1.548 -0.949) 7.629 7.246 ( 5.183 -2.831 0.301) 5.914 7.514 ( 2.270 -7.615 -3.447) 8.661 7.817 ( 13.668 1.341 -1.335) 13.799 7.876 ( 9.349 0.783 -1.719) 9.538 8.116 ( 3.236 0.230 -0.870) 3.359 8.190 ( -0.900 -2.505 2.893) 3.931 8.250 ( 4.192 3.525 7.695) 9.445 8.506 ( 3.875 -6.784 2.914) 8.339 8.684 ( 2.392 0.689 -0.177) 2.495 8.749 ( 2.460 -0.562 -0.244) 2.535 8.832 ( 12.185 3.617 -9.456) 15.842 8.997 ( 8.637 -0.486 1.201) 8.733 9.145 ( 3.799 4.048 0.268) 5.558 9.335 ( 10.090 -5.259 3.009) 11.770 9.612 ( 10.610 2.155 -0.797) 10.856 9.654 ( 11.035 1.564 -0.734) 11.170 9.685 ( 7.356 6.256 -2.020) 9.866 9.901 ( 3.354 -1.777 0.209) 3.802 9.964 ( 3.940 -2.083 -2.548) 5.133 10.015 ( 7.528 0.701 4.616) 8.858 10.152 ( 9.148 2.263 6.096) 11.223 10.218 ( 3.474 1.758 -1.571) 4.199 10.369 ( 11.796 -1.628 0.293) 11.911 10.464 ( 10.503 -2.593 3.805) 11.468 10.595 ( 7.840 -2.963 -6.622) 10.681 10.702 ( 10.042 -2.214 0.757) 10.311 11.096 ( 10.428 1.540 -0.529) 10.554 11.177 ( 5.760 0.791 2.508) 6.332 11.373 ( 7.637 5.691 -3.720) 10.225 11.450 ( 8.126 1.014 1.899) 8.406 11.788 ( 17.250 -3.302 2.342) 17.718 11.867 ( 20.931 -3.851 1.300) 21.322 12.669 ( -0.107 4.511 -3.230) 5.549 12.829 ( 2.381 -2.999 1.196) 4.012 12.879 ( -0.138 6.693 1.180) 6.798 13.154 ( -5.786 -1.049 1.838) 6.160 13.222 ( -7.485 -3.364 -0.709) 8.237 13.278 ( -3.054 3.232 -1.999) 4.875 13.332 ( -5.845 -3.675 6.410) 9.421 13.619 ( -4.207 -5.823 5.425) 9.002 13.975 ( -3.149 2.447 -2.316) 4.612 13.991 ( 4.771 5.553 2.834) 7.850 14.112 ( -8.781 0.253 1.015) 8.844 14.227 ( -1.897 -2.824 0.784) 3.491 15.694 ( -16.778 -0.820 -6.004) 17.838 15.745 ( -14.403 -1.719 -2.869) 14.786 15.920 ( -12.094 1.875 2.435) 12.478 15.956 ( -8.455 0.153 -3.787) 9.266 17.366 ( 0.538 0.281 -0.813) 1.015 17.373 ( 1.350 -0.021 0.039) 1.351 17.464 ( 1.837 -0.041 -0.031) 1.838 17.468 ( 2.016 -0.086 0.392) 2.056 18.419 ( -0.844 0.452 -1.272) 1.593 18.438 ( -0.648 -0.375 -0.840) 1.125 18.460 ( -0.555 0.843 1.108) 1.499 18.502 ( -0.548 -0.883 1.025) 1.460 18.603 ( 0.033 0.899 -1.384) 1.650 18.643 ( -0.163 -0.600 0.797) 1.011 18.692 ( 0.540 1.124 0.664) 1.413 18.756 ( 0.027 -1.590 -0.142) 1.597 18.815 ( 1.126 0.867 -0.041) 1.422 18.840 ( 1.564 -0.224 -0.407) 1.631 19.046 ( 0.632 0.489 -0.697) 1.060 19.070 ( 1.084 -0.459 0.317) 1.219 34.972 ( -0.005 0.188 -1.219) 1.234 34.980 ( 0.092 -0.101 -0.133) 0.190 35.025 ( 0.335 0.291 1.351) 1.422 35.049 ( 0.337 -0.671 -0.145) 0.765 35.229 ( -0.480 0.250 0.823) 0.985 35.232 ( -0.644 0.099 -0.512) 0.829 35.243 ( -0.672 -0.072 -0.123) 0.687 35.253 ( -0.649 -0.450 0.643) 1.018 51.510 ( -1.049 1.895 3.503) 4.118 51.531 ( -1.109 1.150 -1.292) 2.055 51.799 ( -1.873 -3.613 -1.412) 4.307 51.875 ( -1.776 -5.702 5.333) 8.007 52.175 ( -9.332 6.645 -12.581) 17.015 52.365 ( -10.195 8.879 5.576) 14.624 52.542 ( -17.076 -6.941 -16.948) 25.040 52.733 ( -15.879 -5.982 8.233) 18.860 ======================= Grid point 170 (78/90) ======================= q-point: ( 0.21 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 17.967 3.978 -6.934) 19.665 1.737 ( 17.339 6.086 -7.269) 19.761 1.855 ( 16.176 -0.337 3.203) 16.494 1.978 ( 14.741 -1.494 1.392) 14.881 2.151 ( 12.974 -1.135 4.948) 13.932 2.175 ( 11.011 -4.271 -0.692) 11.830 2.304 ( 12.756 -6.013 3.729) 14.587 2.361 ( 10.197 -7.501 6.077) 14.041 2.449 ( 13.533 1.541 -2.872) 13.920 2.507 ( 10.553 3.715 0.006) 11.188 2.577 ( 5.810 -1.540 0.056) 6.011 2.674 ( 9.078 4.311 0.465) 10.061 2.716 ( 10.029 -2.522 -3.579) 10.943 2.808 ( 7.773 0.419 0.145) 7.786 2.877 ( 9.142 0.531 0.625) 9.179 2.938 ( 8.625 0.858 -2.887) 9.136 2.947 ( 7.512 0.995 -0.138) 7.579 3.000 ( 6.462 0.613 1.503) 6.663 3.072 ( 7.217 1.399 0.046) 7.351 3.111 ( 7.750 -2.714 0.527) 8.228 3.168 ( 7.567 -1.405 -1.146) 7.781 3.220 ( 6.101 -1.134 0.112) 6.206 3.258 ( 7.928 -2.366 2.394) 8.612 3.278 ( 7.674 1.071 -1.217) 7.843 3.313 ( 2.995 5.916 1.132) 6.727 3.356 ( 15.159 5.559 -3.889) 16.608 3.450 ( 4.432 0.859 2.883) 5.357 3.501 ( 5.570 0.453 0.380) 5.601 3.526 ( 9.855 2.637 -2.700) 10.553 3.537 ( 4.596 0.033 -1.898) 4.973 3.622 ( 2.428 -1.501 1.187) 3.092 3.699 ( 2.137 -1.480 -1.860) 3.197 3.821 ( 4.514 -4.825 1.531) 6.782 3.936 ( 9.802 0.522 6.040) 11.525 3.952 ( 7.587 -2.979 -3.615) 8.916 3.994 ( 9.128 -5.148 0.495) 10.491 4.085 ( 1.272 2.012 -0.344) 2.406 4.120 ( 4.754 1.335 0.760) 4.996 4.222 ( -0.900 1.297 3.705) 4.028 4.337 ( 3.270 -3.755 4.655) 6.817 4.466 ( -3.631 3.777 1.154) 5.365 4.628 ( -0.223 0.746 3.904) 3.981 4.651 ( 4.532 3.374 -5.029) 7.564 4.681 ( 1.120 0.668 0.047) 1.305 4.783 ( -3.503 -1.096 -5.057) 6.249 4.892 ( -4.929 1.485 -0.297) 5.156 4.911 ( -5.382 -2.411 -1.306) 6.040 5.001 ( -7.780 -0.806 -0.196) 7.825 7.024 ( 1.849 3.219 -0.467) 3.741 7.137 ( 2.505 1.075 0.254) 2.738 7.224 ( 9.255 0.667 -1.724) 9.438 7.320 ( 8.092 3.758 0.418) 8.932 7.359 ( 5.999 -6.799 1.203) 9.147 7.559 ( 3.543 -2.512 -0.567) 4.380 8.047 ( 9.194 0.521 -1.938) 9.411 8.068 ( 10.626 -0.387 -5.348) 11.902 8.195 ( 2.389 0.106 3.912) 4.585 8.209 ( 5.138 0.013 0.318) 5.148 8.361 ( 4.552 3.902 7.426) 9.544 8.583 ( 2.809 -3.849 3.198) 5.739 8.729 ( 2.924 -0.075 0.499) 2.968 8.770 ( 2.135 -1.152 -3.314) 4.107 9.049 ( 9.647 2.783 -4.180) 10.876 9.215 ( 3.702 5.579 0.630) 6.725 9.245 ( 14.275 0.268 3.420) 14.682 9.558 ( 11.241 -7.482 2.201) 13.681 9.726 ( 1.934 2.622 0.805) 3.356 9.815 ( 6.999 1.307 -1.982) 7.390 9.888 ( 11.413 3.666 -4.135) 12.680 9.953 ( 4.636 -0.819 -5.328) 7.110 10.076 ( 6.377 -4.901 1.388) 8.162 10.179 ( 7.281 -1.905 2.982) 8.095 10.296 ( 3.569 2.037 1.575) 4.401 10.308 ( 7.418 4.219 1.163) 8.613 10.560 ( 2.324 -3.867 1.644) 4.802 10.595 ( 7.178 -3.798 -0.977) 8.180 10.712 ( 7.010 0.276 -4.829) 8.517 10.960 ( 10.767 -0.051 6.573) 12.615 11.142 ( 0.608 0.912 -3.793) 3.948 11.342 ( 8.022 -1.758 -0.606) 8.235 11.550 ( 9.879 0.638 -2.990) 10.341 11.604 ( 6.830 -1.753 5.483) 8.932 12.148 ( 14.631 3.484 -0.570) 15.051 12.287 ( 12.798 -3.239 0.588) 13.215 12.720 ( 4.396 5.406 2.123) 7.284 12.785 ( -5.856 7.576 -3.388) 10.157 12.917 ( 5.500 -0.916 2.001) 5.924 13.055 ( -1.078 3.526 0.715) 3.756 13.185 ( -0.803 -3.016 -1.531) 3.477 13.186 ( 5.545 -2.902 0.118) 6.259 13.326 ( 0.279 -3.273 1.417) 3.577 13.524 ( -6.901 -6.614 4.978) 10.777 13.884 ( -5.471 1.472 1.787) 5.941 13.933 ( -8.599 0.909 1.472) 8.771 14.113 ( 5.825 2.755 4.453) 7.832 14.210 ( 0.683 -1.308 -3.085) 3.420 15.400 ( -9.785 0.922 -8.006) 12.676 15.492 ( -10.870 -2.409 -0.365) 11.139 15.709 ( -9.739 2.214 2.104) 10.206 15.771 ( -9.088 -0.381 -2.365) 9.398 17.382 ( 1.267 0.409 -0.394) 1.389 17.406 ( 1.949 -0.573 0.184) 2.040 17.498 ( 1.818 0.344 -0.151) 1.857 17.509 ( 1.867 -0.110 0.214) 1.882 18.402 ( -0.480 0.447 -1.053) 1.240 18.426 ( -0.343 -0.579 -0.402) 0.784 18.451 ( -0.570 0.902 0.613) 1.231 18.491 ( -0.800 -0.712 0.797) 1.335 18.606 ( 0.516 0.715 -0.825) 1.208 18.646 ( 0.129 -1.130 0.710) 1.340 18.697 ( -0.204 1.185 0.624) 1.355 18.748 ( -0.840 -1.129 -0.308) 1.440 18.833 ( 0.805 0.880 0.006) 1.192 18.863 ( 0.941 -0.400 -0.100) 1.028 19.057 ( 0.667 0.738 -0.318) 1.044 19.091 ( 0.933 -0.588 0.004) 1.103 34.969 ( 0.057 0.217 -1.319) 1.338 34.982 ( 0.169 -0.276 -0.528) 0.619 35.029 ( -0.248 0.392 0.937) 1.045 35.050 ( -0.298 -0.428 0.672) 0.850 35.216 ( -0.802 0.041 -0.529) 0.962 35.217 ( -0.826 0.054 -0.456) 0.946 35.229 ( -0.712 0.129 0.694) 1.003 35.241 ( -0.759 -0.294 0.745) 1.103 51.487 ( -2.178 0.414 0.014) 2.217 51.494 ( -2.216 0.446 2.162) 3.128 51.753 ( -2.748 -0.544 0.809) 2.916 51.838 ( -3.409 -2.956 3.753) 5.869 51.966 ( -8.141 2.328 -8.653) 12.106 52.113 ( -13.723 -0.076 -7.608) 15.691 52.240 ( -11.120 2.956 -3.138) 11.927 52.440 ( -16.017 -3.585 6.274) 17.571 ======================= Grid point 171 (79/90) ======================= q-point: ( 0.29 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 16.888 2.404 -4.971) 17.768 2.068 ( 16.851 4.631 -1.913) 17.580 2.173 ( 15.308 -4.098 -0.161) 15.848 2.266 ( 14.206 -2.340 0.815) 14.420 2.377 ( 10.009 -0.157 0.753) 10.039 2.419 ( 12.542 -1.296 2.299) 12.817 2.524 ( 8.907 -2.869 3.367) 9.945 2.571 ( 9.128 -6.294 1.126) 11.144 2.632 ( 7.885 3.804 -1.419) 8.869 2.690 ( 7.041 -0.424 -1.226) 7.159 2.737 ( 10.520 2.092 -0.245) 10.729 2.840 ( 7.171 1.368 -0.471) 7.316 2.906 ( 6.079 -1.990 3.144) 7.128 2.953 ( 8.159 1.962 -0.684) 8.419 3.022 ( 6.041 1.828 0.859) 6.369 3.039 ( 6.220 -0.869 -3.516) 7.198 3.101 ( 7.582 0.757 -1.455) 7.757 3.117 ( 3.461 0.849 1.480) 3.859 3.157 ( 1.054 4.072 1.129) 4.356 3.229 ( 4.609 -3.706 -0.666) 5.952 3.265 ( 2.436 -2.192 1.059) 3.444 3.339 ( 3.249 1.489 0.865) 3.678 3.370 ( 4.410 0.885 2.301) 5.052 3.420 ( 6.128 -2.939 -1.511) 6.962 3.446 ( 8.482 -2.152 -1.831) 8.941 3.512 ( 3.079 -0.348 0.814) 3.204 3.546 ( 3.538 2.895 0.183) 4.575 3.586 ( 1.780 1.206 1.284) 2.504 3.615 ( 5.159 1.623 -1.273) 5.556 3.660 ( 1.799 0.483 0.706) 1.992 3.710 ( 6.616 -0.189 -0.201) 6.622 3.832 ( 3.854 -3.506 -1.997) 5.580 3.879 ( 8.137 3.045 -2.722) 9.104 3.998 ( -2.712 -1.298 -0.235) 3.015 4.053 ( 4.899 1.593 -2.251) 5.622 4.123 ( 3.214 -2.717 2.928) 5.127 4.175 ( 2.894 -1.608 -1.041) 3.470 4.187 ( 6.939 1.032 3.174) 7.700 4.324 ( 5.789 -0.762 1.345) 5.992 4.379 ( -1.315 -0.838 2.595) 3.027 4.488 ( 6.498 7.226 7.105) 12.038 4.622 ( -6.969 0.098 -5.911) 9.139 4.648 ( -3.371 -0.749 -6.243) 7.134 4.711 ( 4.190 -0.946 5.829) 7.241 4.786 ( 5.871 -1.647 0.811) 6.151 4.818 ( 1.527 -1.174 3.059) 3.615 4.915 ( 2.082 0.923 -3.943) 4.553 4.940 ( 6.147 0.189 -2.951) 6.821 7.068 ( 3.330 3.295 -3.256) 5.705 7.193 ( 3.462 0.265 -1.165) 3.663 7.392 ( 6.699 -0.094 1.228) 6.811 7.467 ( 6.794 1.110 1.023) 6.960 7.502 ( 8.592 -2.749 0.941) 9.070 7.645 ( 4.394 -0.908 1.506) 4.733 8.154 ( 1.371 0.293 -1.325) 1.929 8.192 ( 5.018 -0.298 -0.707) 5.076 8.300 ( 6.393 1.470 3.434) 7.404 8.362 ( 8.870 -1.410 -1.711) 9.143 8.476 ( 5.531 3.663 4.072) 7.784 8.631 ( 1.363 -2.127 2.389) 3.477 8.813 ( 5.500 -0.037 0.050) 5.500 8.835 ( 5.556 -0.373 -3.027) 6.338 9.184 ( 4.858 1.977 -0.189) 5.248 9.267 ( 1.861 1.774 0.867) 2.713 9.547 ( 14.058 2.324 3.222) 14.608 9.726 ( 1.393 1.534 1.641) 2.643 9.795 ( 8.860 -4.664 -0.142) 10.013 9.894 ( 2.788 -1.030 -2.229) 3.715 10.031 ( 4.811 1.651 -5.976) 7.847 10.108 ( 10.510 0.961 -1.854) 10.715 10.205 ( 6.399 -4.349 0.347) 7.745 10.313 ( 4.642 1.086 0.942) 4.859 10.354 ( 3.330 -0.691 0.921) 3.523 10.457 ( 6.671 0.968 -0.490) 6.759 10.566 ( -0.487 -3.584 3.727) 5.193 10.680 ( 2.828 -4.862 -3.152) 6.447 10.869 ( 8.800 4.040 0.186) 9.685 11.095 ( 1.585 11.189 2.930) 11.674 11.188 ( 5.993 -10.775 -3.390) 12.788 11.467 ( 4.931 -2.740 1.262) 5.780 11.667 ( 1.743 -0.089 -0.434) 1.799 11.710 ( 1.173 -1.392 1.784) 2.548 12.169 ( -15.751 1.269 -1.045) 15.836 12.222 ( -9.057 0.546 1.490) 9.195 12.829 ( 7.535 7.125 -0.702) 10.394 12.865 ( 7.578 3.259 1.279) 8.347 13.016 ( 2.572 0.206 0.286) 2.596 13.096 ( 5.637 4.858 -1.709) 7.635 13.297 ( 10.213 -5.902 0.343) 11.800 13.341 ( 2.022 -1.163 0.627) 2.416 13.383 ( 0.378 -5.333 0.177) 5.349 13.468 ( 12.887 -3.440 -2.776) 13.624 13.797 ( -2.197 1.120 3.559) 4.330 13.824 ( -3.320 0.488 3.558) 4.891 14.232 ( 4.427 0.588 2.413) 5.076 14.237 ( 3.422 0.554 -2.857) 4.492 15.260 ( -2.944 1.416 -3.993) 5.159 15.327 ( -5.536 -0.876 -0.652) 5.642 15.557 ( -6.202 1.000 1.465) 6.451 15.604 ( -6.892 -0.659 -1.590) 7.104 17.411 ( 1.630 0.642 0.134) 1.757 17.448 ( 2.137 -0.863 0.224) 2.316 17.533 ( 1.712 0.298 -0.217) 1.751 17.540 ( 1.248 -0.013 -0.207) 1.265 18.394 ( 0.018 0.512 -0.892) 1.029 18.421 ( -0.148 -0.517 0.211) 0.577 18.443 ( -0.319 0.670 0.063) 0.744 18.476 ( -0.951 -0.560 0.634) 1.272 18.616 ( 0.659 0.425 -0.431) 0.895 18.647 ( -0.261 -1.007 0.265) 1.074 18.692 ( -0.465 0.856 0.508) 1.098 18.725 ( -1.240 -0.657 -0.132) 1.409 18.849 ( 0.775 0.682 0.233) 1.058 18.877 ( 0.521 -0.404 -0.388) 0.765 19.071 ( 0.820 0.781 0.335) 1.181 19.107 ( 0.764 -0.595 -0.417) 1.055 34.965 ( -0.080 0.292 -1.291) 1.326 34.983 ( 0.191 -0.481 -0.853) 0.998 35.023 ( -0.566 0.473 0.716) 1.027 35.042 ( -0.866 -0.301 1.080) 1.416 35.195 ( -1.002 0.107 -0.169) 1.021 35.201 ( -0.636 -0.139 -0.467) 0.802 35.218 ( -0.648 0.229 0.540) 0.874 35.229 ( -0.603 -0.220 0.343) 0.728 51.437 ( -2.555 0.307 0.319) 2.593 51.456 ( -2.366 -0.438 1.093) 2.643 51.695 ( -3.623 1.218 1.867) 4.254 51.766 ( -4.352 -0.424 0.334) 4.385 51.809 ( -6.262 -0.846 -5.026) 8.074 51.862 ( -8.668 -0.793 -5.586) 10.343 52.029 ( -10.183 2.779 0.285) 10.559 52.150 ( -14.813 -2.059 3.764) 15.422 ======================= Grid point 172 (80/90) ======================= q-point: ( 0.36 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 14.699 1.653 -2.488) 14.999 2.362 ( 13.306 2.493 -0.337) 13.541 2.443 ( 11.452 -3.990 -0.208) 12.129 2.532 ( 11.951 -3.113 0.146) 12.350 2.569 ( 10.086 1.895 0.069) 10.263 2.644 ( 9.574 -0.446 0.093) 9.584 2.689 ( 7.662 -1.620 -1.016) 7.897 2.724 ( 6.556 -2.570 0.564) 7.064 2.781 ( 7.517 2.106 0.064) 7.807 2.818 ( 6.302 1.022 -0.180) 6.387 2.914 ( 6.011 0.756 -1.743) 6.304 2.946 ( 3.275 -0.327 -0.038) 3.291 2.974 ( 3.813 -0.903 3.403) 5.190 3.075 ( 1.481 1.162 1.347) 2.315 3.109 ( 2.128 1.094 -0.806) 2.525 3.133 ( 0.265 1.137 1.449) 1.861 3.149 ( 1.504 -0.654 1.376) 2.141 3.188 ( 5.703 2.620 -1.811) 6.532 3.242 ( 6.023 1.524 -2.477) 6.688 3.289 ( 1.004 -2.860 -0.833) 3.144 3.300 ( 1.421 0.104 -0.546) 1.526 3.373 ( 0.537 2.493 1.486) 2.952 3.423 ( 0.985 -3.079 2.660) 4.186 3.489 ( 2.036 -1.762 -0.928) 2.848 3.551 ( 3.319 -0.377 -1.081) 3.511 3.580 ( -1.784 0.360 -2.323) 2.951 3.587 ( 3.082 -0.306 -0.594) 3.154 3.616 ( 1.408 2.661 -0.398) 3.037 3.653 ( 2.792 -0.457 0.893) 2.967 3.726 ( 2.398 1.752 1.836) 3.491 3.780 ( -0.850 -1.234 2.477) 2.894 3.805 ( -1.856 -3.219 -0.340) 3.731 3.929 ( -1.811 2.153 3.239) 4.290 3.962 ( 0.255 -0.446 -0.818) 0.966 4.128 ( -2.992 -4.647 2.125) 5.922 4.177 ( 0.614 -2.174 -1.365) 2.639 4.266 ( 2.227 1.572 -1.920) 3.333 4.302 ( 2.826 -0.218 3.207) 4.280 4.387 ( 11.105 2.293 -3.120) 11.761 4.428 ( -1.536 4.489 -1.634) 5.018 4.473 ( 1.701 -0.913 -1.736) 2.596 4.577 ( -0.691 -1.302 -2.967) 3.313 4.607 ( 1.119 4.215 2.694) 5.126 4.854 ( 8.468 2.445 2.563) 9.179 4.900 ( 5.671 -5.236 3.445) 8.452 4.969 ( 9.338 -1.613 4.866) 10.653 5.006 ( 7.688 2.549 -4.141) 9.097 5.105 ( 9.333 -1.125 -4.476) 10.412 7.139 ( 5.170 3.009 -4.871) 7.714 7.266 ( 4.396 -0.491 -2.160) 4.922 7.488 ( 2.809 1.335 3.761) 4.880 7.587 ( 4.215 1.075 2.627) 5.082 7.684 ( 8.628 -2.081 -0.254) 8.879 7.723 ( 3.536 -1.237 -0.051) 3.747 8.153 ( -0.717 2.377 2.513) 3.533 8.268 ( 2.097 -1.989 1.696) 3.351 8.412 ( 3.942 1.807 5.023) 6.636 8.509 ( 6.077 -2.487 0.289) 6.572 8.595 ( 5.641 1.935 -3.532) 6.932 8.662 ( 1.705 -1.093 -0.449) 2.074 8.936 ( 6.873 0.814 -2.284) 7.288 8.957 ( 6.910 0.469 -0.014) 6.926 9.246 ( 2.016 0.423 0.311) 2.083 9.291 ( 0.078 -0.737 1.122) 1.344 9.733 ( 1.716 2.187 -0.412) 2.810 9.804 ( 9.331 1.218 1.515) 9.532 9.890 ( 0.541 -2.621 1.331) 2.989 10.008 ( 8.432 -2.783 1.045) 8.941 10.073 ( 1.298 1.475 -3.070) 3.645 10.251 ( 2.658 -0.903 -3.136) 4.209 10.313 ( 5.022 1.340 -1.157) 5.325 10.366 ( 2.924 3.393 -0.310) 4.490 10.464 ( 6.243 -3.667 0.281) 7.245 10.527 ( 2.232 -4.686 -0.823) 5.255 10.621 ( 3.711 -0.569 4.449) 5.822 10.728 ( 3.381 -3.453 -0.894) 4.915 11.037 ( 7.900 4.683 0.848) 9.223 11.122 ( 2.267 9.292 -3.678) 10.247 11.306 ( 5.873 -7.495 1.388) 9.622 11.542 ( 1.572 -3.920 2.223) 4.772 11.613 ( -6.933 -0.931 1.530) 7.161 11.650 ( -7.236 -1.733 -0.096) 7.441 11.840 ( -14.373 4.128 -1.200) 15.002 11.977 ( -13.548 0.511 -0.190) 13.559 12.926 ( 2.321 6.870 0.915) 7.309 12.965 ( 2.301 2.217 0.628) 3.257 13.045 ( 0.893 -0.876 -1.854) 2.237 13.198 ( 2.477 -1.076 -1.976) 3.347 13.309 ( 0.633 -1.102 5.643) 5.785 13.410 ( 3.902 -1.315 -1.173) 4.282 13.525 ( 6.519 -0.012 -1.988) 6.815 13.684 ( 2.430 -3.035 -2.330) 4.533 13.860 ( 12.242 0.468 -1.772) 12.378 13.911 ( 9.244 -1.678 5.550) 10.912 14.282 ( 2.216 0.632 -2.801) 3.627 14.316 ( 2.406 -0.878 2.054) 3.283 15.246 ( 1.912 1.352 -0.945) 2.526 15.273 ( 0.130 0.565 -0.740) 0.940 15.475 ( -2.567 0.208 0.551) 2.634 15.500 ( -3.226 -0.586 -1.115) 3.463 17.444 ( 1.632 0.788 0.645) 1.923 17.487 ( 1.645 -0.874 -0.048) 1.863 17.557 ( 0.754 0.123 -0.311) 0.825 17.562 ( 1.255 0.010 -0.295) 1.290 18.396 ( 0.456 0.529 -0.860) 1.108 18.421 ( -0.064 -0.301 0.856) 0.910 18.439 ( -0.098 0.269 -0.447) 0.531 18.459 ( -0.941 -0.360 0.519) 1.133 18.627 ( 0.545 -0.056 -0.156) 0.570 18.639 ( -0.446 -0.511 -0.040) 0.680 18.681 ( -0.717 0.552 0.116) 0.912 18.703 ( -0.951 -0.363 0.214) 1.040 18.865 ( 0.720 0.484 0.436) 0.971 18.883 ( 0.364 -0.177 -0.669) 0.782 19.090 ( 0.870 0.554 0.899) 1.369 19.118 ( 0.574 -0.507 -0.799) 1.107 34.959 ( -0.024 0.391 -1.279) 1.337 34.983 ( 0.096 -0.629 -0.948) 1.141 35.012 ( -0.811 0.370 0.716) 1.143 35.023 ( -1.296 -0.143 1.027) 1.660 35.180 ( -0.524 0.166 0.430) 0.698 35.190 ( -0.372 -0.247 -0.274) 0.524 35.208 ( -0.413 0.279 0.347) 0.608 35.220 ( -0.380 -0.193 -0.195) 0.469 51.400 ( -1.213 0.205 1.296) 1.787 51.415 ( -1.525 -0.372 -1.003) 1.863 51.627 ( -3.567 0.739 1.674) 4.009 51.660 ( -5.548 -0.558 -4.116) 6.930 51.697 ( -3.338 0.784 -1.770) 3.859 51.739 ( -5.073 -0.845 1.361) 5.320 51.847 ( -7.990 0.918 0.098) 8.043 51.895 ( -11.361 -0.936 1.379) 11.482 ======================= Grid point 173 (81/90) ======================= q-point: ( 0.43 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 10.773 1.563 -1.064) 10.938 2.583 ( 6.862 1.695 2.023) 7.352 2.611 ( 8.403 -2.227 -1.388) 8.803 2.678 ( 4.034 -0.691 0.301) 4.104 2.789 ( 2.680 0.593 -1.774) 3.268 2.794 ( 9.116 -0.594 -0.377) 9.143 2.815 ( 6.479 -0.598 -0.787) 6.554 2.833 ( 6.508 -0.176 -2.029) 6.820 2.913 ( 3.748 0.643 -0.337) 3.818 2.939 ( 4.665 -0.863 1.112) 4.873 2.944 ( 2.124 0.577 2.327) 3.203 3.008 ( -1.308 0.611 -0.612) 1.568 3.020 ( 1.251 -2.183 1.654) 3.011 3.067 ( -0.983 -1.551 -0.920) 2.054 3.121 ( 2.808 0.915 -0.119) 2.956 3.155 ( 0.164 1.515 2.310) 2.768 3.186 ( 1.236 -2.048 -0.461) 2.436 3.261 ( -2.719 -2.416 -1.891) 4.099 3.277 ( 2.125 1.565 0.534) 2.693 3.295 ( -0.133 1.812 -3.283) 3.752 3.309 ( 1.781 -0.624 0.396) 1.929 3.390 ( 0.130 2.688 1.909) 3.300 3.453 ( -0.936 -1.324 2.076) 2.634 3.473 ( -4.066 0.054 -1.898) 4.487 3.542 ( 0.892 0.554 2.169) 2.410 3.571 ( 0.309 1.490 -0.684) 1.669 3.620 ( 1.304 -2.621 -2.362) 3.762 3.638 ( 1.478 0.585 -1.054) 1.907 3.718 ( -0.558 -1.713 0.320) 1.830 3.725 ( -0.994 2.889 -0.049) 3.055 3.734 ( 0.161 -2.327 2.948) 3.759 3.828 ( 3.109 0.878 0.252) 3.240 3.915 ( -2.733 -0.553 1.863) 3.353 3.969 ( 1.663 -1.425 -1.674) 2.756 4.023 ( -5.593 1.067 1.009) 5.783 4.130 ( -5.392 -0.626 3.053) 6.228 4.273 ( 2.013 1.682 -3.250) 4.177 4.344 ( -0.670 2.641 -0.412) 2.755 4.380 ( 1.631 1.143 2.505) 3.200 4.472 ( -1.229 0.355 -1.581) 2.033 4.614 ( 3.496 0.041 0.266) 3.507 4.642 ( 2.565 3.778 -1.397) 4.776 4.679 ( 11.814 -3.226 -1.309) 12.317 4.911 ( -0.057 -5.166 -0.754) 5.221 5.084 ( 7.313 0.286 2.279) 7.666 5.123 ( 4.318 1.195 4.189) 6.134 5.152 ( 7.251 1.187 0.531) 7.367 5.235 ( 4.877 -0.865 -4.998) 7.037 7.236 ( 5.964 1.724 -4.791) 7.842 7.336 ( 2.383 -1.550 -1.087) 3.044 7.538 ( 1.437 2.943 3.965) 5.143 7.626 ( -0.916 1.324 1.861) 2.461 7.784 ( 3.580 -0.647 -1.350) 3.880 7.814 ( 3.464 -1.588 -0.424) 3.834 8.169 ( 1.933 1.247 2.667) 3.522 8.277 ( -1.640 -2.628 2.553) 4.014 8.504 ( 3.766 2.036 6.920) 8.137 8.604 ( 3.262 -2.050 1.157) 4.022 8.653 ( 1.406 0.827 -3.242) 3.629 8.686 ( 1.201 -0.351 -6.031) 6.160 9.043 ( 4.345 1.326 -1.987) 4.959 9.077 ( 4.180 -0.145 0.091) 4.184 9.277 ( 0.341 -1.596 1.807) 2.435 9.287 ( 0.442 -1.691 0.078) 1.749 9.776 ( 3.475 2.144 -2.492) 4.783 9.887 ( -1.326 -1.283 2.278) 2.932 9.937 ( 3.963 -0.946 0.198) 4.079 10.056 ( -1.790 -2.547 -1.028) 3.279 10.166 ( 5.692 1.500 1.461) 6.065 10.258 ( 0.589 1.726 -0.749) 1.972 10.369 ( 1.264 1.779 -1.654) 2.739 10.404 ( 0.518 1.539 1.248) 2.048 10.581 ( 4.521 -3.343 0.765) 5.675 10.619 ( 8.446 -2.103 -4.945) 10.011 10.674 ( 0.144 -1.040 4.244) 4.372 10.803 ( 3.015 -2.470 0.973) 4.017 11.166 ( 2.571 6.509 -1.672) 7.195 11.175 ( 5.551 3.846 -0.901) 6.812 11.396 ( -4.233 -2.541 0.610) 4.975 11.423 ( -8.257 -3.424 1.140) 9.011 11.457 ( -2.506 -1.108 0.273) 2.753 11.583 ( -0.334 -2.590 3.110) 4.061 11.647 ( -5.958 3.871 -0.780) 7.148 11.748 ( -9.163 0.122 -2.439) 9.483 12.956 ( 0.980 5.354 0.134) 5.445 12.982 ( -0.273 2.986 1.007) 3.163 13.061 ( 1.704 -0.430 -1.588) 2.369 13.166 ( -3.169 -1.022 0.511) 3.369 13.399 ( 4.504 0.188 2.089) 4.968 13.464 ( 1.796 -0.601 -0.968) 2.127 13.600 ( 2.466 -0.244 -1.208) 2.757 13.669 ( -1.538 -1.320 0.032) 2.027 14.093 ( 8.449 -1.700 2.507) 8.976 14.121 ( 10.648 -1.657 -1.928) 10.947 14.287 ( -1.196 -0.355 -1.852) 2.233 14.334 ( -1.221 -1.971 1.428) 2.723 15.305 ( 3.457 0.942 0.228) 3.591 15.311 ( 3.098 0.920 -0.438) 3.261 15.448 ( -0.725 0.224 0.285) 0.810 15.459 ( -1.039 -0.102 -1.047) 1.478 17.476 ( 1.311 0.685 1.026) 1.800 17.507 ( 0.412 -0.401 -0.764) 0.956 17.570 ( 0.619 -0.033 0.192) 0.649 17.579 ( 0.548 -0.258 -0.437) 0.747 18.406 ( 0.743 0.397 -0.943) 1.265 18.422 ( -0.190 -0.134 1.335) 1.355 18.436 ( 0.002 0.011 -0.763) 0.764 18.443 ( -0.752 -0.130 0.432) 0.877 18.631 ( -0.067 -0.281 0.057) 0.294 18.637 ( 0.106 -0.584 -0.091) 0.601 18.669 ( -0.305 0.724 -0.046) 0.787 18.687 ( -0.777 -0.192 0.119) 0.809 18.879 ( 0.482 0.348 0.595) 0.841 18.887 ( 0.221 0.073 -0.734) 0.770 19.109 ( 0.641 0.215 1.176) 1.356 19.124 ( 0.257 -0.340 -1.069) 1.150 34.958 ( 0.357 0.367 -1.264) 1.364 34.980 ( -0.383 -0.540 -0.248) 0.707 34.997 ( -0.672 0.241 0.126) 0.725 35.003 ( -0.889 -0.081 1.044) 1.373 35.177 ( -0.075 0.157 0.785) 0.804 35.184 ( -0.147 -0.136 -0.435) 0.479 35.204 ( -0.113 0.153 0.471) 0.508 35.212 ( -0.242 -0.161 -0.591) 0.659 51.399 ( 0.671 0.004 0.261) 0.720 51.401 ( 0.686 -0.001 -0.733) 1.004 51.564 ( -3.029 0.210 -2.946) 4.230 51.575 ( -2.426 -0.115 2.281) 3.332 51.625 ( -3.996 0.109 -0.824) 4.081 51.628 ( -6.090 0.012 2.299) 6.510 51.735 ( -3.273 0.066 0.368) 3.294 51.745 ( -3.786 -0.302 -1.019) 3.932 ======================= Grid point 174 (82/90) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 0.278 0.921 -0.676) 1.176 2.643 ( -0.278 0.921 0.676) 1.176 2.736 ( -4.364 1.124 -1.157) 4.653 2.736 ( 4.364 1.124 1.157) 4.653 2.807 ( -5.935 0.020 -0.444) 5.952 2.807 ( 5.935 0.020 0.444) 5.952 2.886 ( -0.525 -1.382 -0.775) 1.669 2.886 ( 0.525 -1.382 0.775) 1.669 2.964 ( -2.479 -0.310 0.224) 2.508 2.964 ( 2.479 -0.310 -0.224) 2.508 3.016 ( -0.126 -2.247 -1.654) 2.792 3.016 ( 0.126 -2.247 1.654) 2.792 3.049 ( 1.151 -0.657 -2.403) 2.745 3.049 ( -1.151 -0.657 2.403) 2.745 3.149 ( 1.976 1.306 -3.068) 3.876 3.149 ( -1.976 1.306 3.068) 3.876 3.202 ( -1.396 -1.150 -1.336) 2.249 3.202 ( 1.396 -1.150 1.336) 2.249 3.292 ( 0.607 0.236 -3.804) 3.860 3.292 ( -0.607 0.236 3.804) 3.860 3.372 ( -1.477 1.119 -1.529) 2.403 3.372 ( 1.477 1.119 1.529) 2.403 3.403 ( 0.705 -0.692 -2.191) 2.403 3.403 ( -0.705 -0.692 2.191) 2.403 3.577 ( -0.605 0.598 -0.537) 1.006 3.577 ( 0.605 0.598 0.537) 1.006 3.649 ( -2.113 -0.098 -0.564) 2.189 3.649 ( 2.113 -0.098 0.564) 2.189 3.697 ( -0.078 0.726 -2.816) 2.909 3.697 ( 0.078 0.726 2.816) 2.909 3.801 ( -0.883 -2.109 -4.910) 5.416 3.801 ( 0.883 -2.109 4.910) 5.417 3.930 ( 1.509 1.756 -1.258) 2.635 3.930 ( -1.509 1.756 1.258) 2.635 4.033 ( 4.008 0.189 -4.879) 6.317 4.033 ( -4.008 0.189 4.879) 6.317 4.314 ( 1.337 2.912 -3.069) 4.436 4.314 ( -1.337 2.912 3.069) 4.436 4.431 ( -2.012 -0.581 -1.970) 2.875 4.431 ( 2.012 -0.581 1.970) 2.875 4.658 ( 0.339 2.427 -4.019) 4.707 4.658 ( -0.339 2.427 4.019) 4.707 4.855 ( -3.044 -5.325 -2.390) 6.583 4.855 ( 3.044 -5.325 2.390) 6.583 5.165 ( 1.078 1.385 -3.931) 4.305 5.165 ( -1.078 1.385 3.931) 4.305 5.253 ( -1.132 -0.088 -5.600) 5.714 5.253 ( 1.132 -0.088 5.600) 5.714 7.325 ( 3.166 -0.637 -2.699) 4.209 7.325 ( -3.166 -0.637 2.699) 4.209 7.586 ( -2.408 2.701 -1.589) 3.952 7.586 ( 2.408 2.701 1.589) 3.952 7.832 ( 1.071 -0.547 -0.877) 1.489 7.832 ( -1.071 -0.547 0.877) 1.489 8.230 ( -0.721 -1.629 -1.297) 2.203 8.230 ( 0.721 -1.629 1.297) 2.203 8.597 ( -2.840 1.084 -6.485) 7.162 8.597 ( 2.840 1.084 6.485) 7.162 8.673 ( -0.550 -0.398 -4.475) 4.526 8.673 ( 0.550 -0.398 4.475) 4.526 9.098 ( 1.687 0.155 -1.235) 2.096 9.098 ( -1.686 0.155 1.235) 2.096 9.291 ( -0.373 -1.976 -2.179) 2.965 9.291 ( 0.373 -1.976 2.179) 2.965 9.844 ( 3.723 0.888 -3.680) 5.309 9.844 ( -3.723 0.888 3.679) 5.309 10.000 ( -1.951 -2.670 -1.457) 3.614 10.000 ( 1.952 -2.670 1.457) 3.614 10.246 ( -1.009 2.654 -1.894) 3.413 10.246 ( 1.009 2.654 1.894) 3.413 10.394 ( -0.383 1.492 -1.692) 2.288 10.394 ( 0.383 1.492 1.692) 2.288 10.652 ( 1.375 -2.490 -6.304) 6.916 10.652 ( -1.375 -2.490 6.304) 6.916 10.781 ( -2.005 -1.427 -2.852) 3.767 10.781 ( 2.005 -1.427 2.852) 3.767 11.200 ( -0.909 3.045 -1.466) 3.499 11.200 ( 0.909 3.045 1.466) 3.499 11.315 ( 1.078 -0.382 -4.587) 4.728 11.315 ( -1.078 -0.382 4.587) 4.728 11.548 ( -5.144 0.528 -0.226) 5.176 11.548 ( 5.144 0.528 0.226) 5.176 11.609 ( -2.757 -0.937 -4.580) 5.427 11.609 ( 2.757 -0.937 4.580) 5.427 12.973 ( 0.477 3.984 -0.823) 4.095 12.973 ( -0.477 3.984 0.823) 4.095 13.105 ( 0.332 -0.254 -0.262) 0.493 13.105 ( -0.331 -0.254 0.262) 0.493 13.465 ( -0.902 0.299 -1.838) 2.069 13.465 ( 0.902 0.299 1.838) 2.069 13.636 ( -0.043 -1.229 -1.143) 1.679 13.636 ( 0.043 -1.229 1.143) 1.679 14.224 ( -4.564 -1.104 -1.901) 5.066 14.224 ( 4.564 -1.104 1.901) 5.066 14.274 ( -1.284 -2.263 0.121) 2.605 14.274 ( 1.284 -2.263 -0.121) 2.605 15.349 ( 0.098 0.673 -0.781) 1.036 15.349 ( -0.098 0.673 0.781) 1.036 15.443 ( -0.169 0.372 -0.964) 1.047 15.443 ( 0.169 0.372 0.964) 1.047 17.500 ( -0.684 0.277 -1.150) 1.366 17.500 ( 0.684 0.277 1.150) 1.366 17.581 ( -0.224 -0.298 -0.490) 0.616 17.581 ( 0.224 -0.298 0.490) 0.616 18.418 ( 0.713 0.096 -1.219) 1.416 18.418 ( -0.713 0.096 1.219) 1.416 18.435 ( 0.177 -0.024 -0.686) 0.709 18.435 ( -0.177 -0.024 0.686) 0.709 18.634 ( -0.127 -0.383 -0.145) 0.428 18.634 ( 0.127 -0.383 0.145) 0.428 18.673 ( -0.459 0.230 -0.108) 0.525 18.673 ( 0.459 0.230 0.108) 0.525 18.886 ( -0.101 0.238 -0.692) 0.739 18.886 ( 0.101 0.238 0.692) 0.739 19.121 ( -0.197 -0.097 -1.206) 1.226 19.121 ( 0.197 -0.097 1.206) 1.226 34.967 ( 0.818 0.104 -1.071) 1.352 34.967 ( -0.818 0.104 1.071) 1.352 34.994 ( 0.393 -0.111 -1.088) 1.162 34.994 ( -0.393 -0.111 1.088) 1.162 35.180 ( -0.105 0.067 -0.771) 0.781 35.180 ( 0.106 0.067 0.771) 0.781 35.207 ( -0.133 -0.060 -0.694) 0.709 35.207 ( 0.133 -0.060 0.694) 0.709 51.417 ( 0.384 0.053 -1.347) 1.402 51.417 ( -0.384 0.053 1.347) 1.402 51.529 ( 1.507 -0.001 -3.940) 4.219 51.529 ( -1.507 -0.001 3.940) 4.219 51.577 ( -0.395 -0.003 -2.105) 2.141 51.577 ( 0.395 -0.003 2.105) 2.141 51.709 ( -0.066 -0.054 -0.986) 0.990 51.709 ( 0.066 -0.054 0.986) 0.990 ======================= Grid point 182 (83/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -0.000 0.000 -0.000) 0.000 1.226 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 -0.000) 0.000 1.338 ( -0.000 0.000 0.000) 0.000 1.491 ( 0.000 -0.000 0.000) 0.000 1.491 ( 0.000 -0.000 0.000) 0.000 1.702 ( -0.000 0.000 -0.000) 0.000 1.702 ( -0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 -0.000) 0.000 2.255 ( 0.000 0.000 -0.000) 0.000 2.294 ( -0.000 -0.000 0.000) 0.000 2.294 ( -0.000 -0.000 0.000) 0.000 2.367 ( 0.000 -0.000 0.000) 0.000 2.367 ( 0.000 0.000 -0.000) 0.000 2.482 ( 0.000 0.000 -0.000) 0.000 2.482 ( -0.000 0.000 0.000) 0.000 2.741 ( -0.000 0.000 -0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.747 ( -0.000 -0.000 -0.000) 0.000 2.747 ( 0.000 -0.000 0.000) 0.000 2.829 ( -0.000 0.000 -0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.893 ( -0.000 0.000 -0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.987 ( -0.000 0.000 -0.000) 0.000 2.987 ( -0.000 0.000 0.000) 0.000 3.016 ( 0.000 -0.000 -0.000) 0.000 3.016 ( -0.000 -0.000 0.000) 0.000 3.363 ( 0.000 0.000 -0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.416 ( -0.000 0.000 -0.000) 0.000 3.416 ( 0.000 -0.000 0.000) 0.000 3.606 ( -0.000 -0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.616 ( -0.000 -0.000 -0.000) 0.000 3.616 ( -0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 -0.000) 0.000 4.004 ( -0.000 0.000 0.000) 0.000 4.378 ( -0.000 0.000 0.000) 0.000 4.378 ( -0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 -0.000) 0.000 4.721 ( -0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 -0.000) 0.000 4.759 ( -0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 -0.000) 0.000 5.045 ( -0.000 0.000 0.000) 0.000 5.170 ( 0.000 -0.000 -0.000) 0.000 5.170 ( 0.000 -0.000 0.000) 0.000 6.979 ( -0.000 0.000 -0.000) 0.000 6.979 ( 0.000 0.000 -0.000) 0.000 7.077 ( -0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 -0.000) 0.000 7.236 ( -0.000 0.000 -0.000) 0.000 7.236 ( -0.000 0.000 0.000) 0.000 7.548 ( -0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 8.121 ( 0.000 0.000 0.000) 0.000 8.121 ( -0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 -0.000) 0.000 8.222 ( -0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 -0.000) 0.000 8.613 ( -0.000 0.000 0.000) 0.000 8.747 ( -0.000 -0.000 -0.000) 0.000 8.747 ( 0.000 0.000 0.000) 0.000 9.127 ( -0.000 0.000 -0.000) 0.000 9.127 ( -0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 -0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 9.756 ( -0.000 0.000 -0.000) 0.000 9.756 ( -0.000 0.000 0.000) 0.000 9.820 ( -0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.955 ( -0.000 -0.000 -0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 -0.000) 0.000 10.085 ( -0.000 0.000 0.000) 0.000 10.558 ( 0.000 -0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 10.576 ( -0.000 -0.000 -0.000) 0.000 10.576 ( -0.000 0.000 -0.000) 0.000 11.434 ( -0.000 -0.000 -0.000) 0.000 11.434 ( -0.000 0.000 0.000) 0.000 11.461 ( 0.000 -0.000 -0.000) 0.000 11.461 ( 0.000 0.000 -0.000) 0.000 12.861 ( -0.000 0.000 -0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 12.897 ( -0.000 0.000 -0.000) 0.000 12.897 ( 0.000 0.000 0.000) 0.000 13.458 ( -0.000 0.000 -0.000) 0.000 13.458 ( 0.000 0.000 0.000) 0.000 13.561 ( 0.000 0.000 -0.000) 0.000 13.561 ( 0.000 0.000 0.000) 0.000 14.009 ( 0.000 0.000 0.000) 0.000 14.009 ( -0.000 0.000 0.000) 0.000 14.283 ( -0.000 0.000 -0.000) 0.000 14.283 ( -0.000 0.000 0.000) 0.000 16.139 ( 0.000 0.000 -0.000) 0.000 16.139 ( -0.000 0.000 0.000) 0.000 16.230 ( 0.000 -0.000 -0.000) 0.000 16.230 ( 0.000 0.000 0.000) 0.000 17.361 ( -0.000 0.000 -0.000) 0.000 17.361 ( 0.000 0.000 0.000) 0.000 17.415 ( -0.000 0.000 -0.000) 0.000 17.415 ( 0.000 0.000 0.000) 0.000 18.466 ( -0.000 0.000 -0.000) 0.000 18.466 ( 0.000 0.000 0.000) 0.000 18.482 ( -0.000 0.000 -0.000) 0.000 18.482 ( -0.000 0.000 0.000) 0.000 18.676 ( 0.000 0.000 -0.000) 0.000 18.676 ( -0.000 0.000 -0.000) 0.000 18.678 ( -0.000 -0.000 0.000) 0.000 18.678 ( 0.000 0.000 0.000) 0.000 18.771 ( -0.000 0.000 -0.000) 0.000 18.771 ( 0.000 0.000 0.000) 0.000 19.036 ( 0.000 0.000 -0.000) 0.000 19.036 ( -0.000 0.000 0.000) 0.000 34.993 ( -0.000 0.000 -0.000) 0.000 34.993 ( 0.000 0.000 -0.000) 0.000 34.997 ( -0.000 0.000 0.000) 0.000 34.997 ( -0.000 -0.000 0.000) 0.000 35.248 ( 0.000 0.000 -0.000) 0.000 35.248 ( -0.000 0.000 0.000) 0.000 35.253 ( 0.000 0.000 -0.000) 0.000 35.253 ( -0.000 0.000 0.000) 0.000 51.583 ( -0.000 -0.000 0.000) 0.000 51.583 ( 0.000 0.000 0.000) 0.000 51.750 ( 0.000 -0.000 -0.000) 0.000 51.750 ( 0.000 0.000 -0.000) 0.000 52.765 ( -0.000 -0.000 -0.000) 0.000 52.765 ( 0.000 -0.000 0.000) 0.000 52.827 ( -0.000 0.000 -0.000) 0.000 52.827 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 186 (84/90) ======================= q-point: ( 0.07 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 7.404 -9.122 -4.162) 12.464 1.343 ( 7.404 9.122 -4.162) 12.464 1.433 ( 13.797 -5.475 2.127) 14.995 1.433 ( 13.797 5.475 2.127) 14.995 1.539 ( 4.590 -3.585 -5.466) 7.988 1.539 ( 4.590 3.585 -5.466) 7.988 1.774 ( 6.990 -3.455 5.738) 9.681 1.774 ( 6.990 3.455 5.738) 9.681 2.242 ( 1.375 -14.321 1.925) 14.515 2.242 ( 1.375 14.321 1.925) 14.515 2.331 ( 2.833 -4.259 -4.032) 6.513 2.331 ( 2.833 4.259 -4.032) 6.513 2.465 ( 8.933 -8.225 1.240) 12.206 2.465 ( 8.933 8.226 1.240) 12.206 2.578 ( 7.624 -5.830 -0.297) 9.602 2.578 ( 7.624 5.830 -0.297) 9.602 2.737 ( 3.849 -4.951 -2.598) 6.788 2.737 ( 3.849 4.951 -2.598) 6.788 2.834 ( 3.979 -4.578 2.532) 6.572 2.834 ( 3.979 4.578 2.532) 6.572 2.883 ( 6.503 -2.047 -1.671) 7.019 2.883 ( 6.503 2.047 -1.671) 7.019 2.945 ( 4.825 -1.560 1.196) 5.210 2.945 ( 4.825 1.560 1.196) 5.210 3.020 ( 5.517 -7.139 0.461) 9.034 3.020 ( 5.517 7.139 0.461) 9.034 3.173 ( 12.284 -6.605 1.458) 14.023 3.173 ( 12.284 6.605 1.458) 14.023 3.376 ( 1.135 -1.603 1.813) 2.673 3.376 ( 1.135 1.603 1.813) 2.673 3.454 ( 3.383 -1.446 0.535) 3.718 3.454 ( 3.383 1.446 0.535) 3.718 3.605 ( 1.056 -5.088 -2.642) 5.830 3.605 ( 1.056 5.088 -2.642) 5.830 3.647 ( 2.657 -4.159 1.733) 5.231 3.647 ( 2.657 4.159 1.733) 5.231 4.011 ( 0.827 -0.484 0.337) 1.016 4.011 ( 0.827 0.484 0.337) 1.016 4.360 ( -1.937 -0.968 0.478) 2.217 4.360 ( -1.937 0.968 0.478) 2.217 4.706 ( -1.560 -1.218 0.341) 2.008 4.706 ( -1.560 1.218 0.341) 2.008 4.731 ( -2.541 -2.284 -1.210) 3.624 4.731 ( -2.541 2.284 -1.210) 3.624 5.018 ( -2.634 -4.191 -0.269) 4.957 5.018 ( -2.634 4.191 -0.269) 4.957 5.139 ( -3.051 -4.042 -0.267) 5.072 5.139 ( -3.051 4.042 -0.267) 5.072 7.011 ( 3.280 -0.439 -1.454) 3.615 7.011 ( 3.280 0.439 -1.454) 3.615 7.067 ( 0.198 -0.810 0.116) 0.842 7.067 ( 0.198 0.810 0.116) 0.842 7.267 ( 2.964 -7.839 -1.657) 8.543 7.267 ( 2.964 7.839 -1.657) 8.543 7.654 ( 9.180 -4.385 0.360) 10.180 7.654 ( 9.180 4.385 0.360) 10.180 8.121 ( -0.296 -3.426 3.070) 4.609 8.121 ( -0.296 3.426 3.070) 4.609 8.258 ( 3.653 -6.265 0.261) 7.257 8.258 ( 3.653 6.265 0.261) 7.257 8.651 ( 4.326 -3.129 -1.399) 5.519 8.651 ( 4.326 3.129 -1.399) 5.519 8.793 ( 4.154 -4.391 -2.600) 6.580 8.793 ( 4.154 4.391 -2.600) 6.580 9.154 ( 2.646 -1.717 0.551) 3.202 9.154 ( 2.646 1.717 0.551) 3.202 9.431 ( 10.812 -0.711 -0.061) 10.835 9.431 ( 10.812 0.711 -0.061) 10.835 9.788 ( 2.487 -10.240 -1.155) 10.600 9.788 ( 2.487 10.240 -1.155) 10.600 9.866 ( 3.494 -2.987 -0.612) 4.638 9.866 ( 3.494 2.987 -0.612) 4.638 10.036 ( 7.645 -8.802 4.246) 12.407 10.036 ( 7.645 8.802 4.246) 12.407 10.182 ( 8.720 -4.276 2.004) 9.916 10.182 ( 8.720 4.276 2.004) 9.916 10.519 ( 2.486 -3.892 -6.773) 8.198 10.519 ( 2.486 3.892 -6.773) 8.198 10.843 ( 19.004 -5.613 7.187) 21.079 10.843 ( 19.004 5.613 7.187) 21.079 11.422 ( -0.032 -2.910 0.387) 2.936 11.422 ( -0.032 2.910 0.387) 2.936 11.501 ( 4.942 -5.154 -1.330) 7.263 11.501 ( 4.942 5.154 -1.330) 7.263 12.786 ( -3.375 -1.467 -0.393) 3.701 12.786 ( -3.375 1.467 -0.393) 3.701 12.978 ( 4.290 -6.968 -0.358) 8.191 12.978 ( 4.290 6.968 -0.358) 8.191 13.398 ( -7.137 -4.415 4.276) 9.419 13.398 ( -7.137 4.415 4.276) 9.419 13.525 ( -3.265 -7.965 1.335) 8.711 13.525 ( -3.265 7.965 1.335) 8.711 14.024 ( 1.795 -1.805 -2.499) 3.567 14.024 ( 1.795 1.805 -2.499) 3.567 14.241 ( -4.461 -0.555 2.138) 4.979 14.241 ( -4.461 0.555 2.138) 4.979 16.017 ( -12.834 -3.883 -1.650) 13.509 16.017 ( -12.834 3.883 -1.650) 13.509 16.127 ( -7.719 -3.006 -1.243) 8.377 16.127 ( -7.719 3.006 -1.243) 8.377 17.364 ( 0.211 -0.420 -0.297) 0.556 17.364 ( 0.211 0.420 -0.297) 0.556 17.428 ( 1.379 -0.543 0.105) 1.486 17.428 ( 1.379 0.543 0.105) 1.486 18.451 ( -0.982 -0.416 -1.168) 1.582 18.451 ( -0.982 0.416 -1.168) 1.582 18.484 ( -0.182 -1.000 1.194) 1.568 18.484 ( -0.182 1.000 1.194) 1.568 18.641 ( -1.209 -1.379 -1.196) 2.190 18.641 ( -1.209 1.379 -1.196) 2.190 18.706 ( 0.980 -2.239 0.775) 2.564 18.706 ( 0.980 2.239 0.775) 2.564 18.797 ( 2.020 -0.490 -0.118) 2.082 18.797 ( 2.020 0.490 -0.118) 2.082 19.043 ( 0.659 -0.331 -0.096) 0.744 19.043 ( 0.659 0.331 -0.096) 0.744 34.981 ( -0.372 -0.093 -0.203) 0.434 34.981 ( -0.372 0.093 -0.203) 0.434 35.018 ( 1.114 -0.641 0.215) 1.303 35.018 ( 1.114 0.641 0.215) 1.303 35.243 ( -0.505 -0.238 0.524) 0.766 35.243 ( -0.505 0.238 0.524) 0.766 35.252 ( -0.217 -0.180 -0.189) 0.340 35.252 ( -0.217 0.180 -0.189) 0.340 51.572 ( -1.083 -0.754 0.251) 1.343 51.572 ( -1.083 0.754 0.251) 1.343 51.762 ( 0.759 -1.427 1.725) 2.364 51.762 ( 0.759 1.427 1.725) 2.364 52.639 ( -9.712 -14.253 -16.487) 23.860 52.639 ( -9.712 14.253 -16.487) 23.860 52.752 ( -8.488 -13.057 10.482) 18.772 52.752 ( -8.488 13.057 10.482) 18.772 ======================= Grid point 188 (85/90) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 12.422 -10.954 -2.706) 16.781 1.524 ( 12.422 10.954 -2.706) 16.781 1.631 ( 10.391 -5.716 -13.093) 17.666 1.631 ( 10.391 5.716 -13.093) 17.666 1.818 ( 19.321 -1.931 6.762) 20.561 1.818 ( 19.321 1.931 6.762) 20.561 1.979 ( 10.312 -5.507 10.275) 15.564 1.979 ( 10.312 5.507 10.275) 15.564 2.317 ( 6.283 -10.744 -0.145) 12.447 2.317 ( 6.283 10.744 -0.145) 12.447 2.447 ( 8.940 -2.344 -2.872) 9.678 2.447 ( 8.940 2.344 -2.872) 9.678 2.635 ( 8.301 -4.177 -0.730) 9.321 2.635 ( 8.301 4.177 -0.730) 9.321 2.731 ( 7.817 -7.047 -0.014) 10.525 2.731 ( 7.817 7.047 -0.014) 10.525 2.868 ( 8.180 -5.345 -1.270) 9.854 2.868 ( 8.180 5.345 -1.270) 9.854 2.924 ( 5.864 -3.540 0.837) 6.900 2.924 ( 5.864 3.540 0.837) 6.900 3.044 ( 8.029 -1.549 1.627) 8.338 3.044 ( 8.029 1.549 1.627) 8.338 3.084 ( 8.932 -1.549 -1.202) 9.144 3.084 ( 8.932 1.549 -1.202) 9.144 3.195 ( 12.512 -5.974 -3.588) 14.322 3.195 ( 12.512 5.974 -3.588) 14.322 3.402 ( 3.415 -3.554 2.257) 5.422 3.402 ( 3.415 3.554 2.257) 5.422 3.446 ( 9.443 -6.750 2.476) 11.869 3.446 ( 9.443 6.750 2.476) 11.869 3.536 ( 4.751 -3.456 0.617) 5.907 3.536 ( 4.751 3.456 0.617) 5.907 3.643 ( 4.225 -2.622 -1.940) 5.338 3.643 ( 4.225 2.622 -1.940) 5.338 3.757 ( 8.583 -2.808 2.776) 9.447 3.757 ( 8.583 2.808 2.776) 9.447 4.046 ( 2.760 -0.816 1.126) 3.090 4.046 ( 2.760 0.816 1.126) 3.090 4.308 ( -3.426 -1.829 0.972) 4.003 4.308 ( -3.426 1.829 0.972) 4.003 4.645 ( -4.589 -3.543 0.392) 5.811 4.645 ( -4.589 3.543 0.392) 5.811 4.689 ( -0.617 -1.617 -1.722) 2.441 4.689 ( -0.617 1.617 -1.722) 2.441 4.942 ( -4.912 -5.863 -1.328) 7.763 4.942 ( -4.912 5.863 -1.328) 7.763 5.056 ( -5.019 -5.548 -0.054) 7.482 5.056 ( -5.019 5.548 -0.054) 7.482 7.075 ( 2.370 -3.349 0.268) 4.111 7.075 ( 2.370 3.349 0.268) 4.111 7.114 ( 5.119 -4.916 -0.547) 7.118 7.114 ( 5.119 4.916 -0.547) 7.118 7.338 ( 5.032 -8.870 -2.225) 10.438 7.338 ( 5.032 8.870 -2.225) 10.438 7.859 ( 11.071 -2.143 -1.192) 11.339 7.859 ( 11.071 2.143 -1.192) 11.339 8.140 ( 1.412 -2.115 3.316) 4.178 8.140 ( 1.412 2.115 3.316) 4.178 8.356 ( 5.361 -6.844 2.967) 9.186 8.356 ( 5.361 6.844 2.967) 9.186 8.717 ( 1.843 -2.094 -1.574) 3.203 8.717 ( 1.843 2.094 -1.574) 3.203 8.935 ( 11.695 -5.135 -3.505) 13.245 8.935 ( 11.695 5.135 -3.505) 13.245 9.234 ( 5.307 -4.631 1.109) 7.131 9.234 ( 5.307 4.631 1.109) 7.131 9.662 ( 10.863 -1.721 0.357) 11.004 9.662 ( 10.863 1.721 0.357) 11.004 9.834 ( 3.188 -5.816 -3.596) 7.545 9.834 ( 3.188 5.816 -3.596) 7.545 9.957 ( 5.547 -4.033 2.851) 7.427 9.957 ( 5.547 4.033 2.851) 7.427 10.211 ( 7.928 -2.640 1.782) 8.544 10.211 ( 7.928 2.640 1.782) 8.544 10.394 ( 10.095 -3.456 2.757) 11.020 10.394 ( 10.095 3.456 2.757) 11.020 10.607 ( 8.918 -4.551 -6.526) 11.951 10.607 ( 8.918 4.551 -6.526) 11.951 11.166 ( 8.265 -2.622 3.754) 9.448 11.166 ( 8.265 2.622 3.754) 9.448 11.452 ( 2.942 -2.126 2.194) 4.241 11.452 ( 2.942 2.126 2.194) 4.241 11.779 ( 24.357 -3.141 -0.381) 24.562 11.779 ( 24.357 3.141 -0.381) 24.562 12.761 ( 1.204 -4.091 1.356) 4.475 12.761 ( 1.204 4.091 1.356) 4.475 13.038 ( 2.015 -7.816 -3.422) 8.767 13.038 ( 2.015 7.816 -3.422) 8.767 13.220 ( -10.448 -3.965 2.093) 11.369 13.220 ( -10.448 3.965 2.093) 11.369 13.455 ( -4.820 -9.400 5.157) 11.755 13.455 ( -4.820 9.400 5.157) 11.755 14.039 ( -1.542 -2.264 -2.511) 3.716 14.039 ( -1.542 2.264 -2.511) 3.716 14.148 ( -3.561 -4.309 3.694) 6.700 14.148 ( -3.561 4.309 3.694) 6.700 15.704 ( -15.612 -1.714 -4.142) 16.243 15.704 ( -15.612 1.714 -4.142) 16.243 15.950 ( -9.854 -0.869 -0.752) 9.921 15.950 ( -9.854 0.869 -0.752) 9.921 17.371 ( 0.775 -0.206 -0.492) 0.941 17.371 ( 0.775 0.206 -0.492) 0.941 17.465 ( 2.049 -0.136 0.375) 2.087 17.465 ( 2.049 0.136 0.375) 2.087 18.429 ( -0.856 -0.489 -1.065) 1.451 18.429 ( -0.856 0.489 -1.065) 1.451 18.481 ( -0.467 -1.103 1.005) 1.563 18.481 ( -0.467 1.103 1.005) 1.563 18.625 ( -0.259 -1.106 -0.490) 1.237 18.625 ( -0.259 1.106 -0.490) 1.237 18.722 ( 0.371 -1.699 0.435) 1.793 18.722 ( 0.371 1.699 0.435) 1.793 18.831 ( 1.374 -0.633 -0.177) 1.523 18.831 ( 1.374 0.633 -0.177) 1.523 19.058 ( 0.871 -0.668 -0.102) 1.103 19.058 ( 0.871 0.668 -0.102) 1.103 34.976 ( -0.005 -0.227 -0.572) 0.616 34.976 ( -0.005 0.227 -0.572) 0.616 35.035 ( 0.451 -0.669 0.486) 0.942 35.035 ( 0.451 0.669 0.486) 0.942 35.233 ( -0.607 -0.067 -0.026) 0.611 35.233 ( -0.607 0.067 -0.026) 0.611 35.244 ( -0.560 -0.302 0.469) 0.790 35.244 ( -0.560 0.302 0.469) 0.790 51.542 ( -2.058 -0.642 0.433) 2.199 51.542 ( -2.058 0.642 0.433) 2.199 51.779 ( -0.100 -2.336 3.188) 3.954 51.779 ( -0.100 2.336 3.188) 3.954 52.344 ( -13.653 -9.078 -15.911) 22.847 52.344 ( -13.653 9.078 -15.911) 22.847 52.575 ( -11.964 -8.836 7.469) 16.644 52.575 ( -11.964 8.836 7.469) 16.644 ======================= Grid point 190 (86/90) ======================= q-point: ( 0.21 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 14.531 -7.253 -4.937) 16.974 1.782 ( 14.531 7.253 -4.937) 16.974 1.868 ( 16.033 -6.622 -6.059) 18.375 1.868 ( 16.033 6.622 -6.059) 18.375 2.175 ( 14.625 -4.724 4.365) 15.976 2.175 ( 14.625 4.724 4.365) 15.976 2.221 ( 10.901 -5.466 9.114) 15.224 2.221 ( 10.901 5.466 9.114) 15.224 2.494 ( 10.885 -3.843 -0.084) 11.544 2.494 ( 10.885 3.843 -0.084) 11.544 2.623 ( 9.607 -6.240 -0.967) 11.497 2.623 ( 9.607 6.240 -0.967) 11.497 2.796 ( 8.077 -5.542 -2.536) 10.119 2.796 ( 8.077 5.542 -2.536) 10.119 2.880 ( 7.890 -4.667 -1.657) 9.315 2.880 ( 7.890 4.667 -1.657) 9.315 3.002 ( 6.466 -2.299 -1.440) 7.012 3.002 ( 6.466 2.299 -1.440) 7.012 3.084 ( 8.239 -1.539 2.928) 8.878 3.084 ( 8.239 1.539 2.928) 8.878 3.182 ( 5.281 -2.641 2.479) 6.403 3.182 ( 5.281 2.641 2.479) 6.403 3.254 ( 8.332 -2.277 -1.485) 8.765 3.254 ( 8.332 2.277 -1.485) 8.765 3.410 ( 5.547 -1.675 -1.506) 5.987 3.410 ( 5.547 1.675 -1.506) 5.987 3.484 ( 8.194 -3.646 1.910) 9.170 3.484 ( 8.194 3.646 1.910) 9.170 3.569 ( 3.586 -1.495 -0.659) 3.940 3.569 ( 3.586 1.495 -0.659) 3.940 3.628 ( 4.926 -2.877 -1.570) 5.917 3.628 ( 4.926 2.877 -1.570) 5.917 3.800 ( 11.161 -5.130 -4.016) 12.923 3.800 ( 11.161 5.130 -4.016) 12.923 3.972 ( 9.619 -1.189 4.553) 10.708 3.972 ( 9.619 1.189 4.553) 10.708 4.116 ( 2.049 -1.315 2.016) 3.161 4.116 ( 2.049 1.315 2.016) 3.161 4.267 ( 1.082 -3.160 3.080) 4.544 4.267 ( 1.082 3.160 3.080) 4.544 4.566 ( -2.544 -5.238 1.192) 5.944 4.566 ( -2.544 5.238 1.192) 5.944 4.694 ( 1.598 -0.693 -3.057) 3.518 4.694 ( 1.598 0.693 -3.057) 3.518 4.821 ( -6.298 -4.051 -1.346) 7.608 4.821 ( -6.298 4.051 -1.346) 7.608 4.961 ( -4.059 -2.967 -0.379) 5.042 4.961 ( -4.059 2.967 -0.379) 5.042 7.110 ( 1.687 -4.064 -0.518) 4.431 7.110 ( 1.687 4.064 -0.518) 4.431 7.247 ( 8.017 -3.043 0.169) 8.577 7.247 ( 8.017 3.043 0.169) 8.577 7.450 ( 6.496 -7.324 -0.698) 9.814 7.450 ( 6.496 7.324 -0.698) 9.814 8.059 ( 9.210 -0.601 -3.359) 9.822 8.059 ( 9.210 0.601 -3.359) 9.822 8.203 ( 4.157 -0.515 4.280) 5.989 8.203 ( 4.157 0.515 4.280) 5.989 8.470 ( 4.864 -6.280 3.770) 8.792 8.470 ( 4.864 6.280 3.770) 8.792 8.745 ( 2.466 -1.224 -2.076) 3.448 8.745 ( 2.466 1.224 -2.076) 3.448 9.150 ( 8.525 -5.907 -0.959) 10.415 9.150 ( 8.525 5.907 -0.959) 10.415 9.391 ( 10.975 -8.461 1.315) 13.920 9.391 ( 10.975 8.461 1.315) 13.920 9.800 ( 3.092 -3.187 -1.681) 4.748 9.800 ( 3.092 3.187 -1.681) 4.748 9.931 ( 7.894 -2.340 -1.673) 8.402 9.931 ( 7.894 2.340 -1.673) 8.402 10.087 ( 6.677 -5.942 2.154) 9.194 10.087 ( 6.677 5.942 2.154) 9.194 10.344 ( 5.147 -1.689 0.621) 5.453 10.344 ( 5.147 1.689 0.621) 5.453 10.529 ( 4.030 -0.891 -0.746) 4.194 10.529 ( 4.030 0.891 -0.746) 4.194 10.808 ( 10.597 -8.794 -1.604) 13.864 10.808 ( 10.597 8.794 -1.604) 13.864 11.267 ( 3.365 -6.289 0.156) 7.134 11.267 ( 3.365 6.289 0.156) 7.134 11.568 ( 7.455 -1.482 2.236) 7.923 11.568 ( 7.455 1.482 2.236) 7.923 12.220 ( 14.118 -3.428 -0.162) 14.529 12.220 ( 14.118 3.428 -0.162) 14.529 12.828 ( 2.577 -4.377 3.705) 6.287 12.828 ( 2.577 4.377 3.705) 6.287 13.011 ( 1.670 -9.829 -7.245) 12.324 13.011 ( 1.670 9.829 -7.245) 12.324 13.135 ( 2.375 -4.154 0.484) 4.809 13.135 ( 2.375 4.154 0.484) 4.809 13.372 ( -4.952 -6.985 5.853) 10.371 13.372 ( -4.952 6.985 5.853) 10.371 13.924 ( -7.308 -1.695 1.557) 7.662 13.924 ( -7.308 1.695 1.557) 7.662 14.170 ( 3.105 -2.583 0.869) 4.132 14.170 ( 3.105 2.583 0.869) 4.132 15.436 ( -9.872 -2.602 -3.609) 10.829 15.436 ( -9.872 2.602 -3.609) 10.829 15.751 ( -9.730 -1.606 -0.445) 9.872 15.751 ( -9.730 1.606 -0.445) 9.872 17.393 ( 1.552 -0.656 -0.183) 1.695 17.393 ( 1.552 0.656 -0.183) 1.695 17.505 ( 1.888 -0.287 0.129) 1.914 17.505 ( 1.888 0.287 0.129) 1.914 18.413 ( -0.416 -0.648 -0.793) 1.105 18.413 ( -0.416 0.648 -0.793) 1.105 18.472 ( -0.658 -1.070 0.736) 1.456 18.472 ( -0.658 1.070 0.736) 1.456 18.624 ( 0.193 -1.044 -0.077) 1.064 18.624 ( 0.193 1.044 -0.077) 1.064 18.722 ( -0.433 -1.286 0.214) 1.374 18.722 ( -0.433 1.286 0.214) 1.374 18.851 ( 0.805 -0.795 -0.111) 1.137 18.851 ( 0.805 0.795 -0.111) 1.137 19.075 ( 0.828 -0.930 -0.086) 1.248 19.075 ( 0.828 0.930 -0.086) 1.248 34.975 ( 0.063 -0.342 -0.921) 0.984 34.975 ( 0.063 0.342 -0.921) 0.984 35.039 ( -0.178 -0.568 0.814) 1.009 35.039 ( -0.178 0.568 0.814) 1.009 35.217 ( -0.873 -0.032 -0.554) 1.035 35.217 ( -0.873 0.032 -0.554) 1.035 35.234 ( -0.659 -0.336 0.791) 1.083 35.234 ( -0.659 0.336 0.791) 1.083 51.496 ( -2.694 -0.293 0.607) 2.777 51.496 ( -2.694 0.293 0.607) 2.777 51.772 ( -1.763 -2.494 3.700) 4.798 51.772 ( -1.763 2.494 3.700) 4.798 52.048 ( -11.535 -4.644 -12.254) 17.458 52.048 ( -11.535 4.644 -12.254) 17.458 52.342 ( -13.343 -5.666 4.800) 15.271 52.342 ( -13.343 5.666 4.800) 15.271 ======================= Grid point 192 (87/90) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 15.155 -5.648 -4.618) 16.819 2.061 ( 15.155 5.648 -4.618) 16.819 2.176 ( 15.766 -5.379 -1.713) 16.747 2.176 ( 15.766 5.379 -1.713) 16.747 2.429 ( 10.246 -4.826 3.216) 11.774 2.429 ( 10.246 4.826 3.216) 11.774 2.457 ( 11.380 -2.852 4.181) 12.455 2.457 ( 11.380 2.852 4.182) 12.455 2.681 ( 8.005 -0.865 -1.122) 8.129 2.681 ( 8.005 0.865 -1.122) 8.129 2.821 ( 9.194 -5.384 1.670) 10.785 2.821 ( 9.194 5.384 1.670) 10.785 2.911 ( 4.699 -4.050 -0.921) 6.271 2.911 ( 4.699 4.050 -0.921) 6.271 3.045 ( 8.444 -0.641 -2.249) 8.762 3.045 ( 8.444 0.641 -2.249) 8.762 3.117 ( 5.758 -1.106 -1.642) 6.089 3.117 ( 5.758 1.106 -1.642) 6.089 3.213 ( 3.952 -2.381 0.806) 4.684 3.213 ( 3.952 2.381 0.806) 4.684 3.262 ( 2.209 -5.206 2.564) 6.209 3.262 ( 2.209 5.206 2.564) 6.209 3.391 ( 5.493 -0.411 -1.645) 5.748 3.391 ( 5.493 0.411 -1.645) 5.748 3.475 ( 3.475 -2.776 1.228) 4.614 3.475 ( 3.475 2.776 1.228) 4.614 3.610 ( 2.415 -2.425 -1.638) 3.794 3.610 ( 2.415 2.425 -1.638) 3.794 3.628 ( 3.234 -2.887 4.281) 6.093 3.628 ( 3.234 2.887 4.281) 6.093 3.747 ( 5.699 -3.619 -2.452) 7.183 3.747 ( 5.699 3.619 -2.452) 7.183 3.950 ( 2.443 -3.332 -0.712) 4.193 3.950 ( 2.443 3.332 -0.712) 4.193 4.091 ( 1.744 -2.134 -0.511) 2.803 4.091 ( 1.744 2.134 -0.511) 2.803 4.168 ( 8.124 -1.901 -1.189) 8.428 4.168 ( 8.124 1.901 -1.189) 8.428 4.344 ( 1.993 -2.237 3.136) 4.337 4.344 ( 1.993 2.237 3.136) 4.337 4.626 ( 0.867 -3.345 -0.209) 3.462 4.626 ( 0.867 3.345 -0.209) 3.462 4.638 ( 1.121 -3.567 1.841) 4.167 4.638 ( 1.121 3.567 1.841) 4.167 4.788 ( 2.217 -1.462 1.223) 2.924 4.788 ( 2.217 1.462 1.223) 2.924 4.934 ( 3.554 -0.752 -3.503) 5.046 4.934 ( 3.554 0.752 -3.503) 5.046 7.151 ( 3.138 -4.135 -2.893) 5.943 7.151 ( 3.138 4.135 -2.893) 5.943 7.414 ( 8.175 -2.492 1.804) 8.734 7.414 ( 8.175 2.492 1.804) 8.734 7.574 ( 5.822 -5.180 0.911) 7.846 7.574 ( 5.822 5.180 0.911) 7.846 8.174 ( 3.506 -1.335 -0.750) 3.826 8.174 ( 3.506 1.335 -0.750) 3.826 8.332 ( 6.929 -1.536 2.390) 7.489 8.332 ( 6.929 1.536 2.390) 7.489 8.562 ( 3.680 -4.358 2.237) 6.127 8.562 ( 3.680 4.358 2.237) 6.127 8.822 ( 6.134 -0.764 -2.389) 6.627 8.822 ( 6.134 0.764 -2.389) 6.627 9.248 ( 2.266 -3.264 0.921) 4.079 9.248 ( 2.266 3.264 0.921) 4.079 9.637 ( 11.563 -6.368 2.713) 13.476 9.637 ( 11.563 6.368 2.713) 13.476 9.831 ( 2.132 -4.514 -3.215) 5.938 9.831 ( 2.132 4.514 -3.215) 5.938 10.078 ( 6.389 -3.798 -0.911) 7.489 10.078 ( 6.389 3.798 -0.911) 7.489 10.230 ( 7.506 -6.037 0.847) 9.670 10.230 ( 7.506 6.037 0.847) 9.670 10.414 ( 2.020 -3.936 -0.187) 4.428 10.414 ( 2.020 3.936 -0.187) 4.428 10.588 ( 3.001 -3.409 -0.947) 4.639 10.588 ( 3.001 3.409 -0.947) 4.639 10.985 ( 8.173 -8.083 -0.367) 11.501 10.985 ( 8.173 8.083 -0.367) 11.501 11.326 ( 2.685 -10.272 0.254) 10.620 11.326 ( 2.685 10.272 0.254) 10.621 11.679 ( 1.468 -1.274 1.461) 2.431 11.679 ( 1.468 1.274 1.461) 2.431 12.211 ( -11.579 -1.706 0.282) 11.707 12.211 ( -11.579 1.706 0.282) 11.707 12.917 ( 6.256 -0.723 -0.963) 6.371 12.917 ( 6.256 0.723 -0.963) 6.371 13.089 ( 3.856 -7.768 -2.531) 9.034 13.089 ( 3.856 7.768 -2.531) 9.034 13.252 ( 3.240 -5.746 1.848) 6.851 13.252 ( 3.240 5.746 1.848) 6.851 13.386 ( 10.756 -3.804 0.594) 11.424 13.386 ( 10.756 3.804 0.594) 11.424 13.821 ( -2.996 -0.863 2.844) 4.220 13.821 ( -2.996 0.863 2.844) 4.220 14.242 ( 3.687 -0.199 -0.122) 3.694 14.242 ( 3.687 0.199 -0.122) 3.694 15.297 ( -3.652 -1.962 -2.000) 4.603 15.297 ( -3.652 1.962 -2.000) 4.603 15.583 ( -6.952 -1.316 -0.281) 7.081 15.583 ( -6.952 1.316 -0.281) 7.081 17.428 ( 1.905 -1.010 0.171) 2.163 17.428 ( 1.905 1.010 0.171) 2.163 17.538 ( 1.458 -0.172 -0.202) 1.482 17.538 ( 1.458 0.172 -0.202) 1.482 18.408 ( 0.018 -0.739 -0.526) 0.907 18.408 ( 0.018 0.739 -0.526) 0.907 18.460 ( -0.703 -0.894 0.517) 1.249 18.460 ( -0.703 0.894 0.517) 1.249 18.628 ( 0.182 -0.801 -0.028) 0.822 18.628 ( 0.182 0.801 -0.028) 0.822 18.709 ( -0.845 -0.866 0.151) 1.220 18.709 ( -0.845 0.866 0.151) 1.220 18.865 ( 0.623 -0.756 -0.063) 0.982 18.865 ( 0.623 0.756 -0.063) 0.982 19.090 ( 0.775 -0.973 -0.054) 1.245 19.090 ( 0.775 0.973 -0.054) 1.245 34.973 ( 0.035 -0.484 -1.071) 1.176 34.973 ( 0.035 0.484 -1.071) 1.176 35.033 ( -0.688 -0.484 0.905) 1.236 35.033 ( -0.688 0.484 0.905) 1.236 35.198 ( -0.850 -0.158 -0.280) 0.908 35.198 ( -0.850 0.158 -0.280) 0.908 35.223 ( -0.582 -0.307 0.407) 0.774 35.223 ( -0.582 0.307 0.407) 0.774 51.445 ( -2.569 -0.518 0.627) 2.695 51.445 ( -2.569 0.518 0.627) 2.695 51.730 ( -3.611 -2.138 2.498) 4.883 51.730 ( -3.611 2.138 2.498) 4.883 51.830 ( -7.312 -1.894 -7.296) 10.502 51.830 ( -7.312 1.894 -7.296) 10.502 52.094 ( -12.806 -3.270 2.710) 13.491 52.094 ( -12.806 3.270 2.710) 13.491 ======================= Grid point 194 (88/90) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 13.538 -3.814 -2.837) 14.348 2.334 ( 13.538 3.814 -2.837) 14.348 2.455 ( 12.106 -3.904 0.942) 12.755 2.455 ( 12.106 3.904 0.942) 12.755 2.619 ( 9.030 -2.880 0.260) 9.482 2.619 ( 9.030 2.880 0.260) 9.482 2.674 ( 9.524 -1.459 0.328) 9.640 2.674 ( 9.524 1.459 0.328) 9.640 2.821 ( 6.738 -1.253 -0.478) 6.870 2.821 ( 6.738 1.253 -0.478) 6.870 2.939 ( 2.688 -0.519 1.958) 3.366 2.939 ( 2.688 0.519 1.958) 3.366 3.006 ( 4.094 -4.578 0.298) 6.149 3.006 ( 4.094 4.578 0.298) 6.149 3.130 ( 0.804 -1.041 -0.317) 1.353 3.130 ( 0.804 1.041 -0.317) 1.353 3.206 ( 2.155 -3.378 -1.647) 4.332 3.206 ( 2.155 3.378 -1.647) 4.332 3.260 ( 1.984 -2.312 -1.291) 3.309 3.260 ( 1.984 2.312 -1.291) 3.309 3.325 ( 4.013 -2.607 1.656) 5.064 3.325 ( 4.013 2.607 1.656) 5.064 3.448 ( 1.553 -2.060 0.001) 2.580 3.448 ( 1.553 2.060 0.001) 2.580 3.559 ( 3.074 -0.989 -1.588) 3.599 3.559 ( 3.074 0.989 -1.588) 3.599 3.625 ( 0.600 -2.109 1.345) 2.573 3.625 ( 0.600 2.109 1.345) 2.573 3.690 ( 0.526 -4.396 0.796) 4.498 3.690 ( 0.526 4.396 0.796) 4.498 3.767 ( -0.772 -0.802 0.717) 1.324 3.767 ( -0.772 0.802 0.717) 1.324 3.954 ( -1.266 -0.508 1.827) 2.280 3.954 ( -1.266 0.508 1.827) 2.280 4.118 ( 1.105 -2.847 -1.097) 3.245 4.118 ( 1.105 2.847 -1.097) 3.245 4.292 ( 1.338 -0.878 1.203) 2.002 4.292 ( 1.338 0.878 1.203) 2.002 4.432 ( 8.284 -2.037 -2.248) 8.822 4.432 ( 8.284 2.037 -2.248) 8.822 4.514 ( -2.660 -3.469 -3.293) 5.473 4.514 ( -2.660 3.469 -3.293) 5.473 4.754 ( 1.058 -8.025 3.741) 8.917 4.754 ( 1.058 8.025 3.741) 8.917 4.920 ( 10.383 -2.989 3.969) 11.510 4.920 ( 10.383 2.989 3.969) 11.510 5.064 ( 8.818 -2.757 -4.388) 10.228 5.064 ( 8.818 2.757 -4.388) 10.228 7.215 ( 4.366 -3.961 -4.145) 7.206 7.215 ( 4.366 3.961 -4.145) 7.206 7.554 ( 4.621 -4.045 3.806) 7.224 7.554 ( 4.621 4.045 3.806) 7.225 7.684 ( 5.482 -1.998 -0.184) 5.838 7.684 ( 5.482 1.998 -0.184) 5.838 8.213 ( 0.473 -3.191 2.394) 4.018 8.213 ( 0.473 3.191 2.394) 4.018 8.457 ( 5.024 -2.507 2.769) 6.260 8.457 ( 5.024 2.507 2.769) 6.260 8.633 ( 3.352 -1.730 -1.834) 4.194 8.633 ( 3.352 1.730 -1.834) 4.194 8.955 ( 7.410 -0.727 -2.096) 7.735 8.955 ( 7.410 0.727 -2.096) 7.735 9.266 ( -0.340 -1.419 1.223) 1.903 9.266 ( -0.340 1.419 1.223) 1.904 9.785 ( 3.139 -2.678 0.236) 4.133 9.785 ( 3.139 2.678 0.236) 4.133 9.915 ( 6.075 -4.498 0.835) 7.605 9.915 ( 6.075 4.498 0.835) 7.605 10.162 ( 3.041 -5.919 -1.427) 6.805 10.162 ( 3.041 5.919 -1.427) 6.805 10.373 ( 5.197 -3.835 -0.481) 6.476 10.373 ( 5.197 3.835 -0.481) 6.476 10.447 ( 3.476 -3.259 -0.870) 4.844 10.447 ( 3.476 3.259 -0.870) 4.844 10.656 ( 3.750 -3.221 0.957) 5.035 10.656 ( 3.750 3.221 0.957) 5.035 11.137 ( 7.608 -5.820 -1.868) 9.759 11.137 ( 7.608 5.820 -1.868) 9.759 11.369 ( 1.098 -10.568 1.646) 10.751 11.369 ( 1.098 10.568 1.646) 10.751 11.620 ( -7.177 -0.976 1.708) 7.441 11.620 ( -7.177 0.977 1.708) 7.441 11.941 ( -13.230 -4.087 -1.254) 13.903 11.941 ( -13.230 4.087 -1.254) 13.903 12.994 ( 2.051 -1.362 -0.287) 2.478 12.994 ( 2.051 1.362 -0.287) 2.478 13.122 ( -0.007 -6.809 -0.200) 6.812 13.122 ( -0.007 6.809 -0.200) 6.812 13.327 ( 4.940 -3.690 1.956) 6.469 13.327 ( 4.940 3.690 1.956) 6.469 13.596 ( 5.655 -5.101 -2.881) 8.143 13.596 ( 5.655 5.101 -2.881) 8.143 13.880 ( 9.056 -1.334 2.618) 9.521 13.880 ( 9.056 1.334 2.618) 9.521 14.297 ( 1.640 -0.870 -0.512) 1.925 14.297 ( 1.640 0.870 -0.512) 1.925 15.272 ( 1.260 -0.835 -0.919) 1.769 15.272 ( 1.260 0.835 -0.919) 1.769 15.485 ( -2.933 -0.733 -0.214) 3.030 15.485 ( -2.933 0.734 -0.214) 3.031 17.465 ( 1.694 -1.160 0.368) 2.085 17.465 ( 1.694 1.160 0.368) 2.085 17.561 ( 0.938 -0.150 -0.378) 1.022 17.561 ( 0.938 0.150 -0.378) 1.022 18.410 ( 0.295 -0.701 -0.327) 0.828 18.410 ( 0.295 0.701 -0.327) 0.828 18.449 ( -0.610 -0.578 0.350) 0.910 18.449 ( -0.610 0.578 0.350) 0.910 18.630 ( -0.013 -0.338 -0.062) 0.344 18.630 ( -0.013 0.338 -0.062) 0.344 18.693 ( -0.760 -0.576 0.121) 0.961 18.693 ( -0.760 0.576 0.121) 0.961 18.876 ( 0.564 -0.527 -0.038) 0.773 18.876 ( 0.564 0.527 -0.038) 0.773 19.105 ( 0.670 -0.774 -0.010) 1.024 19.105 ( 0.670 0.774 -0.010) 1.024 34.970 ( 0.027 -0.633 -1.086) 1.257 34.970 ( 0.027 0.633 -1.086) 1.257 35.018 ( -1.046 -0.275 0.845) 1.372 35.018 ( -1.046 0.275 0.845) 1.372 35.185 ( -0.459 -0.255 0.177) 0.555 35.185 ( -0.459 0.255 0.177) 0.555 35.214 ( -0.381 -0.300 -0.020) 0.485 35.214 ( -0.381 0.300 -0.020) 0.485 51.406 ( -1.330 -0.393 0.239) 1.407 51.406 ( -1.330 0.393 0.239) 1.407 51.644 ( -4.478 -0.913 -1.292) 4.749 51.644 ( -4.478 0.913 -1.292) 4.749 51.717 ( -4.065 -1.140 -0.369) 4.238 51.717 ( -4.065 1.140 -0.369) 4.238 51.871 ( -9.906 -1.314 0.884) 10.032 51.871 ( -9.906 1.314 0.884) 10.032 ======================= Grid point 196 (89/90) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 9.898 -2.207 -0.698) 10.165 2.565 ( 9.898 2.207 -0.698) 10.165 2.633 ( 6.157 -2.957 0.844) 6.883 2.633 ( 6.157 2.957 0.844) 6.883 2.793 ( 7.822 -0.565 -1.120) 7.922 2.793 ( 7.822 0.565 -1.120) 7.922 2.821 ( 5.024 -0.947 -1.202) 5.252 2.821 ( 5.024 0.947 -1.202) 5.252 2.926 ( 2.829 -0.453 -0.360) 2.888 2.926 ( 2.829 0.453 -0.360) 2.888 2.972 ( 0.375 -1.917 2.432) 3.119 2.972 ( 0.375 1.917 2.432) 3.119 3.030 ( -0.085 -1.635 -0.382) 1.681 3.030 ( -0.085 1.635 -0.382) 1.681 3.144 ( 1.922 -1.471 -0.773) 2.541 3.144 ( 1.922 1.471 -0.773) 2.541 3.200 ( -1.526 -2.748 0.691) 3.218 3.200 ( -1.526 2.748 0.691) 3.218 3.300 ( 1.582 -0.283 -1.749) 2.375 3.300 ( 1.582 0.283 -1.749) 2.375 3.365 ( -0.598 -4.140 1.528) 4.453 3.365 ( -0.598 4.140 1.528) 4.453 3.462 ( -1.230 -1.781 -0.415) 2.204 3.462 ( -1.230 1.781 -0.415) 2.204 3.567 ( -0.181 -1.682 -0.462) 1.754 3.567 ( -0.181 1.682 -0.462) 1.754 3.638 ( 0.502 -3.364 1.201) 3.607 3.638 ( 0.502 3.364 1.201) 3.607 3.684 ( 0.527 -1.649 -0.047) 1.732 3.684 ( 0.527 1.649 -0.047) 1.732 3.788 ( 0.642 -3.100 0.853) 3.278 3.788 ( 0.641 3.100 0.853) 3.278 3.938 ( 0.809 -1.990 -1.540) 2.643 3.938 ( 0.809 1.990 -1.540) 2.643 4.085 ( -4.574 -3.526 3.069) 6.540 4.085 ( -4.574 3.526 3.069) 6.540 4.324 ( 2.695 -2.728 -0.932) 3.946 4.324 ( 2.695 2.728 -0.932) 3.946 4.442 ( -1.759 -3.003 -1.675) 3.862 4.442 ( -1.759 3.003 -1.675) 3.862 4.627 ( 7.756 -1.516 0.025) 7.903 4.627 ( 7.756 1.516 0.025) 7.903 4.771 ( 0.086 -7.727 -0.028) 7.727 4.771 ( 0.086 7.727 -0.028) 7.727 5.108 ( 6.487 -1.619 4.170) 7.880 5.108 ( 6.487 1.619 4.170) 7.880 5.201 ( 5.699 -2.473 -3.618) 7.189 5.201 ( 5.699 2.473 -3.618) 7.189 7.285 ( 3.511 -2.898 -3.184) 5.556 7.285 ( 3.511 2.898 -3.184) 5.556 7.614 ( 0.754 -3.066 3.270) 4.545 7.614 ( 0.754 3.066 3.270) 4.546 7.781 ( 4.123 -0.839 -1.182) 4.370 7.781 ( 4.123 0.839 -1.182) 4.370 8.215 ( -0.894 -3.091 3.107) 4.473 8.215 ( -0.894 3.091 3.107) 4.473 8.554 ( 3.814 -2.716 4.325) 6.374 8.554 ( 3.814 2.716 4.325) 6.374 8.672 ( 1.411 -0.951 -4.959) 5.243 8.672 ( 1.411 0.951 -4.959) 5.243 9.068 ( 3.897 -0.890 -1.160) 4.162 9.068 ( 3.897 0.890 -1.160) 4.162 9.261 ( -0.071 -0.345 1.005) 1.065 9.261 ( -0.071 0.345 1.005) 1.065 9.832 ( 2.333 -3.104 -1.382) 4.122 9.832 ( 2.333 3.104 -1.382) 4.122 9.978 ( -0.330 -3.782 1.017) 3.930 9.978 ( -0.330 3.782 1.017) 3.930 10.230 ( 4.343 -3.681 0.267) 5.699 10.230 ( 4.343 3.681 0.267) 5.699 10.403 ( -0.264 -1.542 0.755) 1.737 10.403 ( -0.264 1.542 0.755) 1.737 10.567 ( 7.021 -2.040 -3.047) 7.921 10.567 ( 7.021 2.040 -3.047) 7.921 10.724 ( 2.123 -4.586 2.396) 5.593 10.724 ( 2.123 4.586 2.396) 5.593 11.259 ( 5.069 -1.866 -3.660) 6.524 11.259 ( 5.069 1.866 -3.660) 6.525 11.334 ( -6.230 -1.192 2.184) 6.708 11.334 ( -6.230 1.192 2.184) 6.709 11.508 ( -1.280 -3.947 2.923) 5.075 11.508 ( -1.280 3.947 2.923) 5.076 11.723 ( -8.626 -2.808 -1.911) 9.270 11.723 ( -8.626 2.808 -1.911) 9.270 13.020 ( 1.028 -1.280 -0.175) 1.652 13.020 ( 1.028 1.280 -0.175) 1.652 13.109 ( -1.051 -4.777 0.379) 4.906 13.109 ( -1.051 4.777 0.379) 4.906 13.423 ( 3.887 -2.385 0.987) 4.665 13.423 ( 3.887 2.385 0.987) 4.665 13.627 ( -0.052 -2.448 -1.303) 2.773 13.627 ( -0.052 2.448 -1.303) 2.773 14.087 ( 9.216 -1.153 0.935) 9.335 14.087 ( 9.216 1.153 0.935) 9.335 14.295 ( -1.678 -1.377 -0.556) 2.240 14.295 ( -1.678 1.377 -0.556) 2.240 15.320 ( 3.123 -0.213 -0.378) 3.153 15.320 ( 3.123 0.213 -0.378) 3.153 15.454 ( -0.644 -0.344 -0.148) 0.745 15.454 ( -0.644 0.345 -0.148) 0.745 17.493 ( 0.991 -0.861 0.310) 1.348 17.493 ( 0.991 0.861 0.310) 1.348 17.573 ( 0.436 -0.285 -0.307) 0.605 17.573 ( 0.436 0.285 -0.307) 0.605 18.415 ( 0.325 -0.488 -0.189) 0.616 18.415 ( 0.325 0.488 -0.189) 0.616 18.439 ( -0.420 -0.228 0.208) 0.521 18.439 ( -0.420 0.228 0.208) 0.521 18.629 ( -0.020 -0.128 0.001) 0.129 18.629 ( -0.020 0.128 0.001) 0.129 18.681 ( -0.485 -0.451 0.010) 0.663 18.681 ( -0.485 0.451 0.010) 0.663 18.886 ( 0.377 -0.255 -0.009) 0.455 18.886 ( 0.377 0.255 -0.009) 0.455 19.115 ( 0.410 -0.417 0.011) 0.585 19.115 ( 0.410 0.417 0.011) 0.585 34.968 ( 0.100 -0.571 -0.898) 1.069 34.968 ( 0.100 0.571 -0.898) 1.069 35.001 ( -0.893 -0.163 0.724) 1.162 35.001 ( -0.893 0.163 0.725) 1.162 35.181 ( -0.084 -0.206 0.331) 0.399 35.181 ( -0.084 0.206 0.331) 0.399 35.208 ( -0.205 -0.223 -0.213) 0.370 35.208 ( -0.205 0.223 -0.213) 0.370 51.400 ( 0.740 -0.071 -0.342) 0.819 51.400 ( 0.740 0.071 -0.342) 0.819 51.570 ( -2.933 -0.337 -0.037) 2.953 51.570 ( -2.933 0.337 -0.037) 2.953 51.627 ( -4.945 -0.111 0.495) 4.971 51.627 ( -4.945 0.111 0.495) 4.971 51.739 ( -3.476 -0.265 -0.272) 3.497 51.739 ( -3.476 0.265 -0.272) 3.497 ======================= Grid point 198 (90/90) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 0.000 0.000 -0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.760 ( -0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.795 ( -0.000 -0.000 -0.000) 0.000 2.795 ( 0.000 0.000 -0.000) 0.000 2.870 ( -0.000 0.000 -0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 -0.001) 0.001 2.969 ( 0.000 -0.000 0.001) 0.001 2.975 ( -0.000 -0.000 -0.001) 0.001 2.975 ( -0.000 0.000 0.001) 0.001 3.045 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 -0.000 -0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 -0.000) 0.000 3.186 ( -0.000 0.000 0.000) 0.000 3.289 ( 0.000 -0.000 -0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.388 ( -0.000 0.000 -0.001) 0.001 3.388 ( 0.001 0.000 0.000) 0.001 3.399 ( -0.001 -0.000 -0.000) 0.001 3.399 ( 0.000 -0.000 0.001) 0.001 3.594 ( 0.000 -0.000 0.000) 0.000 3.594 ( 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 3.703 ( 0.000 -0.000 -0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.782 ( -0.000 -0.000 -0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 -0.000 -0.000) 0.000 3.980 ( -0.000 -0.000 0.000) 0.000 4.007 ( 0.000 0.000 -0.000) 0.000 4.007 ( -0.000 0.000 -0.000) 0.000 4.363 ( 0.000 0.000 -0.000) 0.000 4.363 ( 0.000 0.000 -0.000) 0.000 4.412 ( 0.000 -0.000 -0.000) 0.000 4.412 ( 0.000 0.000 -0.000) 0.000 4.728 ( 0.000 -0.000 -0.000) 0.000 4.728 ( 0.000 0.000 -0.000) 0.000 4.751 ( -0.000 -0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 -0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 -0.000) 0.000 5.253 ( 0.000 0.000 -0.000) 0.000 7.318 ( 0.000 0.000 -0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 -0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 -0.000) 0.000 7.822 ( 0.000 0.000 -0.000) 0.000 8.209 ( 0.000 0.000 -0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 -0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 8.666 ( -0.000 0.000 -0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 9.100 ( 0.000 0.000 -0.000) 0.000 9.100 ( 0.000 0.000 -0.000) 0.000 9.267 ( 0.000 0.000 -0.000) 0.000 9.267 ( -0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 -0.000) 0.000 9.859 ( -0.000 0.000 -0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.289 ( 0.000 0.000 -0.000) 0.000 10.289 ( -0.000 0.000 0.000) 0.000 10.396 ( 0.000 0.000 -0.000) 0.000 10.396 ( 0.000 0.000 -0.000) 0.000 10.647 ( 0.000 -0.000 -0.000) 0.000 10.647 ( -0.000 0.000 0.000) 0.000 10.744 ( 0.000 0.000 -0.000) 0.000 10.744 ( 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) 0.001 11.314 ( 0.000 -0.000 0.000) 0.000 11.314 ( 0.000 0.000 0.000) 0.000 11.550 ( -0.000 -0.000 -0.000) 0.000 11.550 ( 0.000 0.000 0.000) 0.000 11.599 ( -0.000 0.000 -0.000) 0.000 11.599 ( 0.000 0.000 0.000) 0.000 13.032 ( 0.000 -0.000 -0.000) 0.000 13.032 ( 0.000 0.000 0.000) 0.000 13.096 ( 0.000 0.000 -0.000) 0.000 13.096 ( 0.000 0.000 0.000) 0.000 13.468 ( 0.000 0.000 -0.000) 0.000 13.468 ( 0.000 0.000 0.000) 0.000 13.618 ( 0.000 0.000 0.000) 0.000 13.618 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 -0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.239 ( -0.000 -0.000 -0.000) 0.000 14.239 ( 0.000 0.000 0.000) 0.000 15.358 ( 0.000 0.000 -0.000) 0.000 15.358 ( 0.000 0.000 0.000) 0.000 15.447 ( 0.000 0.000 0.000) 0.000 15.447 ( 0.000 0.000 -0.000) 0.000 17.504 ( 0.000 0.000 -0.000) 0.000 17.504 ( 0.000 0.000 -0.000) 0.000 17.577 ( 0.000 0.000 -0.000) 0.000 17.577 ( 0.000 0.000 0.000) 0.000 18.419 ( 0.000 0.000 -0.000) 0.000 18.419 ( 0.000 0.000 0.000) 0.000 18.435 ( 0.000 0.000 -0.000) 0.000 18.435 ( 0.000 0.000 0.000) 0.000 18.629 ( 0.000 0.000 0.000) 0.000 18.629 ( 0.000 0.000 -0.000) 0.000 18.676 ( 0.000 0.000 -0.000) 0.000 18.676 ( 0.000 0.000 0.000) 0.000 18.890 ( 0.000 0.000 -0.000) 0.000 18.890 ( 0.000 0.000 -0.000) 0.000 19.120 ( 0.000 0.000 0.000) 0.000 19.120 ( 0.000 0.000 -0.000) 0.000 34.968 ( 0.000 0.000 -0.000) 0.000 34.968 ( 0.000 0.000 0.000) 0.000 34.992 ( 0.000 0.000 -0.000) 0.000 34.992 ( 0.000 0.000 0.000) 0.000 35.181 ( 0.000 0.000 -0.000) 0.000 35.181 ( 0.000 0.000 0.000) 0.000 35.206 ( 0.000 0.000 -0.000) 0.000 35.206 ( 0.000 0.000 0.000) 0.000 51.417 ( 0.000 0.000 -0.000) 0.000 51.417 ( 0.000 0.000 -0.000) 0.000 51.529 ( 0.000 0.000 -0.000) 0.000 51.529 ( 0.000 0.000 0.000) 0.000 51.576 ( 0.000 0.000 -0.000) 0.000 51.576 ( 0.000 0.000 0.000) 0.000 51.708 ( 0.000 0.000 -0.000) 0.000 51.708 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29568 10.0 926.353 631.028 637.970 0.000 38.705 0.000 3/29568 20.0 207.579 98.216 102.985 0.000 5.008 0.000 3/29568 30.0 106.817 39.874 40.511 0.000 1.423 0.000 3/29568 40.0 71.841 24.109 23.469 0.000 0.562 0.000 3/29568 50.0 53.494 17.141 16.238 0.000 0.232 0.000 3/29568 60.0 41.759 13.127 12.252 0.000 0.085 0.000 3/29568 70.0 33.549 10.476 9.708 0.000 0.015 0.000 3/29568 80.0 27.556 8.599 7.948 0.000 -0.021 0.000 3/29568 90.0 23.073 7.217 6.669 0.000 -0.038 0.000 3/29568 100.0 19.655 6.170 5.709 0.000 -0.047 0.000 3/29568 110.0 17.005 5.359 4.969 0.000 -0.051 0.000 3/29568 120.0 14.917 4.720 4.387 0.000 -0.052 0.000 3/29568 130.0 13.245 4.207 3.921 0.000 -0.052 0.000 3/29568 140.0 11.886 3.789 3.540 0.000 -0.051 0.000 3/29568 150.0 10.767 3.443 3.225 0.000 -0.050 0.000 3/29568 160.0 9.832 3.153 2.961 0.000 -0.048 0.000 3/29568 170.0 9.043 2.907 2.736 0.000 -0.046 0.000 3/29568 180.0 8.369 2.697 2.543 0.000 -0.045 0.000 3/29568 190.0 7.788 2.515 2.376 0.000 -0.043 0.000 3/29568 200.0 7.283 2.356 2.230 0.000 -0.041 0.000 3/29568 210.0 6.839 2.216 2.101 0.000 -0.040 0.000 3/29568 220.0 6.447 2.092 1.987 0.000 -0.038 0.000 3/29568 230.0 6.098 1.981 1.885 0.000 -0.037 0.000 3/29568 240.0 5.786 1.882 1.793 0.000 -0.036 0.000 3/29568 250.0 5.505 1.792 1.710 0.000 -0.034 0.000 3/29568 260.0 5.251 1.711 1.635 0.000 -0.033 0.000 3/29568 270.0 5.020 1.637 1.566 0.000 -0.032 0.000 3/29568 280.0 4.810 1.570 1.503 0.000 -0.031 0.000 3/29568 290.0 4.616 1.508 1.446 0.000 -0.030 0.000 3/29568 300.0 4.439 1.451 1.392 0.000 -0.029 0.000 3/29568 310.0 4.275 1.398 1.343 0.000 -0.028 0.000 3/29568 320.0 4.123 1.349 1.298 0.000 -0.027 0.000 3/29568 330.0 3.983 1.304 1.256 0.000 -0.026 0.000 3/29568 340.0 3.852 1.262 1.216 0.000 -0.025 0.000 3/29568 350.0 3.730 1.223 1.179 0.000 -0.025 0.000 3/29568 360.0 3.615 1.186 1.145 0.000 -0.024 0.000 3/29568 370.0 3.508 1.151 1.113 0.000 -0.023 0.000 3/29568 380.0 3.408 1.119 1.083 0.000 -0.022 0.000 3/29568 390.0 3.314 1.088 1.054 0.000 -0.021 0.000 3/29568 400.0 3.225 1.059 1.028 0.000 -0.021 0.000 3/29568 410.0 3.141 1.032 1.003 0.000 -0.020 0.000 3/29568 420.0 3.061 1.007 0.979 0.000 -0.019 0.000 3/29568 430.0 2.986 0.982 0.956 0.000 -0.019 0.000 3/29568 440.0 2.915 0.959 0.935 0.000 -0.018 0.000 3/29568 450.0 2.848 0.937 0.915 0.000 -0.017 0.000 3/29568 460.0 2.783 0.917 0.896 0.000 -0.017 0.000 3/29568 470.0 2.722 0.897 0.878 0.000 -0.016 0.000 3/29568 480.0 2.664 0.878 0.860 0.000 -0.015 0.000 3/29568 490.0 2.608 0.860 0.844 0.000 -0.015 0.000 3/29568 500.0 2.555 0.843 0.828 0.000 -0.014 0.000 3/29568 510.0 2.505 0.826 0.813 0.000 -0.013 0.000 3/29568 520.0 2.456 0.810 0.799 0.000 -0.013 0.000 3/29568 530.0 2.409 0.795 0.785 0.000 -0.012 0.000 3/29568 540.0 2.365 0.781 0.772 0.000 -0.012 0.000 3/29568 550.0 2.322 0.767 0.760 0.000 -0.011 0.000 3/29568 560.0 2.281 0.754 0.748 0.000 -0.011 0.000 3/29568 570.0 2.241 0.741 0.736 0.000 -0.010 0.000 3/29568 580.0 2.203 0.728 0.725 0.000 -0.010 0.000 3/29568 590.0 2.167 0.717 0.714 0.000 -0.009 0.000 3/29568 600.0 2.132 0.705 0.704 0.000 -0.009 0.000 3/29568 610.0 2.098 0.694 0.694 0.000 -0.008 0.000 3/29568 620.0 2.065 0.683 0.684 0.000 -0.008 0.000 3/29568 630.0 2.033 0.673 0.675 0.000 -0.007 0.000 3/29568 640.0 2.002 0.663 0.666 0.000 -0.007 0.000 3/29568 650.0 1.973 0.654 0.658 0.000 -0.007 0.000 3/29568 660.0 1.944 0.644 0.650 0.000 -0.006 0.000 3/29568 670.0 1.917 0.635 0.642 0.000 -0.006 0.000 3/29568 680.0 1.890 0.626 0.634 0.000 -0.005 0.000 3/29568 690.0 1.864 0.618 0.626 0.000 -0.005 0.000 3/29568 700.0 1.838 0.610 0.619 0.000 -0.005 0.000 3/29568 710.0 1.814 0.602 0.612 0.000 -0.004 0.000 3/29568 720.0 1.790 0.594 0.605 0.000 -0.004 0.000 3/29568 730.0 1.767 0.586 0.598 0.000 -0.004 0.000 3/29568 740.0 1.745 0.579 0.592 0.000 -0.003 0.000 3/29568 750.0 1.723 0.572 0.586 0.000 -0.003 0.000 3/29568 760.0 1.702 0.565 0.580 0.000 -0.003 0.000 3/29568 770.0 1.681 0.558 0.574 0.000 -0.002 0.000 3/29568 780.0 1.661 0.552 0.568 0.000 -0.002 0.000 3/29568 790.0 1.642 0.545 0.562 0.000 -0.002 0.000 3/29568 800.0 1.623 0.539 0.557 0.000 -0.002 0.000 3/29568 810.0 1.604 0.533 0.551 0.000 -0.001 0.000 3/29568 820.0 1.586 0.527 0.546 0.000 -0.001 0.000 3/29568 830.0 1.568 0.521 0.541 0.000 -0.001 0.000 3/29568 840.0 1.551 0.516 0.536 0.000 -0.000 0.000 3/29568 850.0 1.534 0.510 0.531 0.000 -0.000 0.000 3/29568 860.0 1.518 0.505 0.526 0.000 0.000 0.000 3/29568 870.0 1.502 0.500 0.522 0.000 0.000 0.000 3/29568 880.0 1.486 0.494 0.517 0.000 0.000 0.000 3/29568 890.0 1.471 0.489 0.513 0.000 0.001 0.000 3/29568 900.0 1.456 0.484 0.508 0.000 0.001 0.000 3/29568 910.0 1.442 0.480 0.504 0.000 0.001 0.000 3/29568 920.0 1.427 0.475 0.500 0.000 0.001 0.000 3/29568 930.0 1.413 0.470 0.496 0.000 0.001 0.000 3/29568 940.0 1.400 0.466 0.492 0.000 0.002 0.000 3/29568 950.0 1.386 0.461 0.488 0.000 0.002 0.000 3/29568 960.0 1.373 0.457 0.484 0.000 0.002 0.000 3/29568 970.0 1.360 0.453 0.481 0.000 0.002 0.000 3/29568 980.0 1.348 0.449 0.477 0.000 0.002 0.000 3/29568 990.0 1.335 0.445 0.473 0.000 0.003 0.000 3/29568 1000.0 1.323 0.441 0.470 0.000 0.003 0.000 3/29568 Thermal conductivity related properties were written into "kappa-m1444.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:17:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|