----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:39:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.986062435000000 -6.703284405000002 0.000000000000000 b 2.986062435000000 6.703284405000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.822272460000004 Atomic positions (fractional): *1 Ba 0.23408323134821 0.76591676865179 0.38323862408425 137.327 *2 Ba 0.02926937183262 0.97073062816738 0.14308263101914 137.327 3 Ba 0.47073062816738 0.52926937183262 0.64308263101914 137.327 4 Ba 0.26591676865180 0.73408323134820 0.88323862408425 137.327 5 Ba 0.97073062816738 0.02926937183262 0.85691736898086 137.327 6 Ba 0.73408323134821 0.26591676865179 0.11676137591575 137.327 7 Ba 0.52926937183262 0.47073062816738 0.35691736898086 137.327 8 Ba 0.76591676865180 0.23408323134820 0.61676137591575 137.327 *9 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 *10 Sn 0.36302212589447 0.63697787410553 0.15414592691448 118.710 11 Sn 0.13697787410553 0.86302212589447 0.65414592691448 118.710 12 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 13 Sn 0.63697787410553 0.36302212589447 0.84585407308552 118.710 14 Sn 0.86302212589447 0.13697787410553 0.34585407308552 118.710 *15 O 0.84187592940365 0.61610580506146 0.96299464867342 15.999 *16 O 0.86296383412990 0.63703616587010 0.75000000000000 15.999 17 O 0.88389419493854 0.65812407059635 0.53700535132658 15.999 *18 O 0.21604711723430 0.78395288276570 0.16772530442199 15.999 19 O 0.28395288276570 0.71604711723430 0.66772530442199 15.999 *20 O 0.46868517697151 0.53131482302849 0.85372718087557 15.999 21 O 0.03131482302849 0.96868517697151 0.35372718087557 15.999 22 O 0.61610580506146 0.84187592940365 0.03700535132658 15.999 23 O 0.34187592940365 0.11610580506146 0.53700535132658 15.999 24 O 0.63703616587010 0.86296383412990 0.25000000000000 15.999 25 O 0.36296383412990 0.13703616587010 0.75000000000000 15.999 26 O 0.65812407059635 0.88389419493854 0.46299464867342 15.999 27 O 0.38389419493854 0.15812407059635 0.96299464867342 15.999 28 O 0.71604711723430 0.28395288276570 0.33227469557801 15.999 29 O 0.78395288276570 0.21604711723430 0.83227469557801 15.999 30 O 0.53131482302849 0.46868517697151 0.14627281912443 15.999 31 O 0.96868517697151 0.03131482302849 0.64627281912443 15.999 32 O 0.11610580506146 0.34187592940365 0.46299464867342 15.999 33 O 0.13703616587010 0.36296383412990 0.25000000000000 15.999 34 O 0.15812407059635 0.38389419493854 0.03700535132658 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.972124870000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.406568810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 13.822272460000004 Atomic positions (fractional): *1 Ba 0.50000000000000 0.26591676865179 0.38323862408425 137.327 > 1 *2 Ba 0.50000000000000 0.47073062816738 0.14308263101914 137.327 > 2 3 Ba 0.50000000000000 0.02926937183262 0.64308263101914 137.327 > 3 4 Ba 0.50000000000000 0.23408323134820 0.88323862408425 137.327 > 4 5 Ba 0.00000000000000 0.02926937183262 0.85691736898086 137.327 > 5 6 Ba 0.00000000000000 0.26591676865179 0.11676137591575 137.327 > 6 7 Ba 0.00000000000000 0.47073062816738 0.35691736898086 137.327 > 7 8 Ba 0.00000000000000 0.23408323134820 0.61676137591575 137.327 > 8 9 Ba 0.00000000000000 0.76591676865180 0.38323862408425 137.327 > 1 10 Ba 0.00000000000000 0.97073062816738 0.14308263101914 137.327 > 2 11 Ba 0.00000000000000 0.52926937183262 0.64308263101914 137.327 > 3 12 Ba 0.00000000000000 0.73408323134820 0.88323862408425 137.327 > 4 13 Ba 0.50000000000000 0.52926937183262 0.85691736898086 137.327 > 5 14 Ba 0.50000000000000 0.76591676865180 0.11676137591575 137.327 > 6 15 Ba 0.50000000000000 0.97073062816738 0.35691736898086 137.327 > 7 16 Ba 0.50000000000000 0.73408323134820 0.61676137591575 137.327 > 8 *17 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 9 *18 Sn 0.50000000000000 0.13697787410553 0.15414592691448 118.710 > 10 19 Sn 0.50000000000000 0.36302212589447 0.65414592691448 118.710 > 11 20 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 12 21 Sn 0.00000000000000 0.36302212589447 0.84585407308552 118.710 > 13 22 Sn 0.00000000000000 0.13697787410553 0.34585407308552 118.710 > 14 23 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 9 24 Sn 0.00000000000000 0.63697787410553 0.15414592691448 118.710 > 10 25 Sn 0.00000000000000 0.86302212589447 0.65414592691448 118.710 > 11 26 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 12 27 Sn 0.50000000000000 0.86302212589447 0.84585407308552 118.710 > 13 28 Sn 0.50000000000000 0.63697787410553 0.34585407308552 118.710 > 14 *29 O 0.22899086723255 0.38711493782891 0.96299464867342 15.999 > 15 *30 O 0.25000000000000 0.38703616587010 0.75000000000000 15.999 > 16 31 O 0.27100913276744 0.38711493782891 0.53700535132658 15.999 > 17 *32 O 0.50000000000000 0.28395288276570 0.16772530442199 15.999 > 18 33 O 0.50000000000000 0.21604711723430 0.66772530442199 15.999 > 19 *34 O 0.50000000000000 0.03131482302849 0.85372718087557 15.999 > 20 35 O 0.50000000000000 0.46868517697151 0.35372718087557 15.999 > 21 36 O 0.72899086723256 0.11288506217109 0.03700535132658 15.999 > 22 37 O 0.72899086723256 0.38711493782891 0.53700535132658 15.999 > 23 38 O 0.75000000000000 0.11296383412990 0.25000000000000 15.999 > 24 39 O 0.75000000000000 0.38703616587010 0.75000000000000 15.999 > 25 40 O 0.77100913276744 0.11288506217109 0.46299464867342 15.999 > 26 41 O 0.77100913276744 0.38711493782891 0.96299464867342 15.999 > 27 42 O 0.00000000000000 0.28395288276570 0.33227469557801 15.999 > 28 43 O 0.00000000000000 0.21604711723430 0.83227469557801 15.999 > 29 44 O 0.00000000000000 0.46868517697151 0.14627281912443 15.999 > 30 45 O 0.00000000000000 0.03131482302849 0.64627281912443 15.999 > 31 46 O 0.22899086723255 0.11288506217109 0.46299464867342 15.999 > 32 47 O 0.25000000000000 0.11296383412990 0.25000000000000 15.999 > 33 48 O 0.27100913276744 0.11288506217109 0.03700535132658 15.999 > 34 49 O 0.72899086723256 0.88711493782891 0.96299464867342 15.999 > 15 50 O 0.75000000000000 0.88703616587010 0.75000000000000 15.999 > 16 51 O 0.77100913276744 0.88711493782891 0.53700535132658 15.999 > 17 52 O 0.00000000000000 0.78395288276570 0.16772530442199 15.999 > 18 53 O 0.00000000000000 0.71604711723430 0.66772530442199 15.999 > 19 54 O 0.00000000000000 0.53131482302849 0.85372718087557 15.999 > 20 55 O 0.00000000000000 0.96868517697151 0.35372718087557 15.999 > 21 56 O 0.22899086723255 0.61288506217109 0.03700535132658 15.999 > 22 57 O 0.22899086723255 0.88711493782891 0.53700535132658 15.999 > 23 58 O 0.25000000000000 0.61296383412990 0.25000000000000 15.999 > 24 59 O 0.25000000000000 0.88703616587010 0.75000000000000 15.999 > 25 60 O 0.27100913276744 0.61288506217109 0.46299464867342 15.999 > 26 61 O 0.27100913276744 0.88711493782891 0.96299464867342 15.999 > 27 62 O 0.50000000000000 0.78395288276570 0.33227469557801 15.999 > 28 63 O 0.50000000000000 0.71604711723430 0.83227469557801 15.999 > 29 64 O 0.50000000000000 0.96868517697151 0.14627281912443 15.999 > 30 65 O 0.50000000000000 0.53131482302849 0.64627281912443 15.999 > 31 66 O 0.72899086723256 0.61288506217109 0.46299464867342 15.999 > 32 67 O 0.75000000000000 0.61296383412990 0.25000000000000 15.999 > 33 68 O 0.77100913276744 0.61288506217109 0.03700535132658 15.999 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.944249740000002 0.000000000000000 0.000000000000000 b 0.000000000000000 13.406568810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 13.822272460000004 Atomic positions (fractional): *1 Ba 0.25000000000000 0.26591676865179 0.38323862408425 137.327 > 1 2 Ba 0.75000000000000 0.26591676865179 0.38323862408425 137.327 > 1 *3 Ba 0.25000000000000 0.47073062816738 0.14308263101914 137.327 > 2 4 Ba 0.75000000000000 0.47073062816738 0.14308263101914 137.327 > 2 5 Ba 0.25000000000000 0.02926937183262 0.64308263101914 137.327 > 3 6 Ba 0.75000000000000 0.02926937183262 0.64308263101914 137.327 > 3 7 Ba 0.25000000000000 0.23408323134820 0.88323862408425 137.327 > 4 8 Ba 0.75000000000000 0.23408323134820 0.88323862408425 137.327 > 4 9 Ba 0.00000000000000 0.02926937183262 0.85691736898086 137.327 > 5 10 Ba 0.50000000000000 0.02926937183262 0.85691736898086 137.327 > 5 11 Ba 0.00000000000000 0.26591676865179 0.11676137591575 137.327 > 6 12 Ba 0.50000000000000 0.26591676865179 0.11676137591575 137.327 > 6 13 Ba 0.00000000000000 0.47073062816738 0.35691736898086 137.327 > 7 14 Ba 0.50000000000000 0.47073062816738 0.35691736898086 137.327 > 7 15 Ba 0.00000000000000 0.23408323134820 0.61676137591575 137.327 > 8 16 Ba 0.50000000000000 0.23408323134820 0.61676137591575 137.327 > 8 17 Ba 0.00000000000000 0.76591676865180 0.38323862408425 137.327 > 1 18 Ba 0.50000000000000 0.76591676865180 0.38323862408425 137.327 > 1 19 Ba 0.00000000000000 0.97073062816738 0.14308263101914 137.327 > 2 20 Ba 0.50000000000000 0.97073062816738 0.14308263101914 137.327 > 2 21 Ba 0.00000000000000 0.52926937183262 0.64308263101914 137.327 > 3 22 Ba 0.50000000000000 0.52926937183262 0.64308263101914 137.327 > 3 23 Ba 0.00000000000000 0.73408323134820 0.88323862408425 137.327 > 4 24 Ba 0.50000000000000 0.73408323134820 0.88323862408425 137.327 > 4 25 Ba 0.25000000000000 0.52926937183262 0.85691736898086 137.327 > 5 26 Ba 0.75000000000000 0.52926937183262 0.85691736898086 137.327 > 5 27 Ba 0.25000000000000 0.76591676865180 0.11676137591575 137.327 > 6 28 Ba 0.75000000000000 0.76591676865180 0.11676137591575 137.327 > 6 29 Ba 0.25000000000000 0.97073062816738 0.35691736898086 137.327 > 7 30 Ba 0.75000000000000 0.97073062816738 0.35691736898086 137.327 > 7 31 Ba 0.25000000000000 0.73408323134820 0.61676137591575 137.327 > 8 32 Ba 0.75000000000000 0.73408323134820 0.61676137591575 137.327 > 8 *33 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 9 34 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 9 *35 Sn 0.25000000000000 0.13697787410553 0.15414592691448 118.710 > 10 36 Sn 0.75000000000000 0.13697787410553 0.15414592691448 118.710 > 10 37 Sn 0.25000000000000 0.36302212589447 0.65414592691448 118.710 > 11 38 Sn 0.75000000000000 0.36302212589447 0.65414592691448 118.710 > 11 39 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 12 40 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 12 41 Sn 0.00000000000000 0.36302212589447 0.84585407308552 118.710 > 13 42 Sn 0.50000000000000 0.36302212589447 0.84585407308552 118.710 > 13 43 Sn 0.00000000000000 0.13697787410553 0.34585407308552 118.710 > 14 44 Sn 0.50000000000000 0.13697787410553 0.34585407308552 118.710 > 14 45 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 9 46 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 9 47 Sn 0.00000000000000 0.63697787410553 0.15414592691448 118.710 > 10 48 Sn 0.50000000000000 0.63697787410553 0.15414592691448 118.710 > 10 49 Sn 0.00000000000000 0.86302212589447 0.65414592691448 118.710 > 11 50 Sn 0.50000000000000 0.86302212589447 0.65414592691448 118.710 > 11 51 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 12 52 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 12 53 Sn 0.25000000000000 0.86302212589447 0.84585407308552 118.710 > 13 54 Sn 0.75000000000000 0.86302212589447 0.84585407308552 118.710 > 13 55 Sn 0.25000000000000 0.63697787410553 0.34585407308552 118.710 > 14 56 Sn 0.75000000000000 0.63697787410553 0.34585407308552 118.710 > 14 *57 O 0.11449543361628 0.38711493782891 0.96299464867342 15.999 > 15 58 O 0.61449543361628 0.38711493782891 0.96299464867342 15.999 > 15 *59 O 0.12500000000000 0.38703616587010 0.75000000000000 15.999 > 16 60 O 0.62500000000000 0.38703616587010 0.75000000000000 15.999 > 16 61 O 0.13550456638372 0.38711493782891 0.53700535132658 15.999 > 17 62 O 0.63550456638372 0.38711493782891 0.53700535132658 15.999 > 17 *63 O 0.25000000000000 0.28395288276570 0.16772530442199 15.999 > 18 64 O 0.75000000000000 0.28395288276570 0.16772530442199 15.999 > 18 65 O 0.25000000000000 0.21604711723430 0.66772530442199 15.999 > 19 66 O 0.75000000000000 0.21604711723430 0.66772530442199 15.999 > 19 *67 O 0.25000000000000 0.03131482302849 0.85372718087557 15.999 > 20 68 O 0.75000000000000 0.03131482302849 0.85372718087557 15.999 > 20 69 O 0.25000000000000 0.46868517697151 0.35372718087557 15.999 > 21 70 O 0.75000000000000 0.46868517697151 0.35372718087557 15.999 > 21 71 O 0.36449543361628 0.11288506217109 0.03700535132658 15.999 > 22 72 O 0.86449543361628 0.11288506217109 0.03700535132658 15.999 > 22 73 O 0.36449543361628 0.38711493782891 0.53700535132658 15.999 > 23 74 O 0.86449543361628 0.38711493782891 0.53700535132658 15.999 > 23 75 O 0.37500000000000 0.11296383412990 0.25000000000000 15.999 > 24 76 O 0.87500000000000 0.11296383412990 0.25000000000000 15.999 > 24 77 O 0.37500000000000 0.38703616587010 0.75000000000000 15.999 > 25 78 O 0.87500000000000 0.38703616587010 0.75000000000000 15.999 > 25 79 O 0.38550456638372 0.11288506217109 0.46299464867342 15.999 > 26 80 O 0.88550456638372 0.11288506217109 0.46299464867342 15.999 > 26 81 O 0.38550456638372 0.38711493782891 0.96299464867342 15.999 > 27 82 O 0.88550456638372 0.38711493782891 0.96299464867342 15.999 > 27 83 O 0.00000000000000 0.28395288276570 0.33227469557801 15.999 > 28 84 O 0.50000000000000 0.28395288276570 0.33227469557801 15.999 > 28 85 O 0.00000000000000 0.21604711723430 0.83227469557801 15.999 > 29 86 O 0.50000000000000 0.21604711723430 0.83227469557801 15.999 > 29 87 O 0.00000000000000 0.46868517697151 0.14627281912443 15.999 > 30 88 O 0.50000000000000 0.46868517697151 0.14627281912443 15.999 > 30 89 O 0.00000000000000 0.03131482302849 0.64627281912443 15.999 > 31 90 O 0.50000000000000 0.03131482302849 0.64627281912443 15.999 > 31 91 O 0.11449543361628 0.11288506217109 0.46299464867342 15.999 > 32 92 O 0.61449543361628 0.11288506217109 0.46299464867342 15.999 > 32 93 O 0.12500000000000 0.11296383412990 0.25000000000000 15.999 > 33 94 O 0.62500000000000 0.11296383412990 0.25000000000000 15.999 > 33 95 O 0.13550456638372 0.11288506217109 0.03700535132658 15.999 > 34 96 O 0.63550456638372 0.11288506217109 0.03700535132658 15.999 > 34 97 O 0.36449543361628 0.88711493782891 0.96299464867342 15.999 > 15 98 O 0.86449543361628 0.88711493782891 0.96299464867342 15.999 > 15 99 O 0.37500000000000 0.88703616587010 0.75000000000000 15.999 > 16 100 O 0.87500000000000 0.88703616587010 0.75000000000000 15.999 > 16 101 O 0.38550456638372 0.88711493782891 0.53700535132658 15.999 > 17 102 O 0.88550456638372 0.88711493782891 0.53700535132658 15.999 > 17 103 O 0.00000000000000 0.78395288276570 0.16772530442199 15.999 > 18 104 O 0.50000000000000 0.78395288276570 0.16772530442199 15.999 > 18 105 O 0.00000000000000 0.71604711723430 0.66772530442199 15.999 > 19 106 O 0.50000000000000 0.71604711723430 0.66772530442199 15.999 > 19 107 O 0.00000000000000 0.53131482302849 0.85372718087557 15.999 > 20 108 O 0.50000000000000 0.53131482302849 0.85372718087557 15.999 > 20 109 O 0.00000000000000 0.96868517697151 0.35372718087557 15.999 > 21 110 O 0.50000000000000 0.96868517697151 0.35372718087557 15.999 > 21 111 O 0.11449543361628 0.61288506217109 0.03700535132658 15.999 > 22 112 O 0.61449543361628 0.61288506217109 0.03700535132658 15.999 > 22 113 O 0.11449543361628 0.88711493782891 0.53700535132658 15.999 > 23 114 O 0.61449543361628 0.88711493782891 0.53700535132658 15.999 > 23 115 O 0.12500000000000 0.61296383412990 0.25000000000000 15.999 > 24 116 O 0.62500000000000 0.61296383412990 0.25000000000000 15.999 > 24 117 O 0.12500000000000 0.88703616587010 0.75000000000000 15.999 > 25 118 O 0.62500000000000 0.88703616587010 0.75000000000000 15.999 > 25 119 O 0.13550456638372 0.61288506217109 0.46299464867342 15.999 > 26 120 O 0.63550456638372 0.61288506217109 0.46299464867342 15.999 > 26 121 O 0.13550456638372 0.88711493782891 0.96299464867342 15.999 > 27 122 O 0.63550456638372 0.88711493782891 0.96299464867342 15.999 > 27 123 O 0.25000000000000 0.78395288276570 0.33227469557801 15.999 > 28 124 O 0.75000000000000 0.78395288276570 0.33227469557801 15.999 > 28 125 O 0.25000000000000 0.71604711723430 0.83227469557801 15.999 > 29 126 O 0.75000000000000 0.71604711723430 0.83227469557801 15.999 > 29 127 O 0.25000000000000 0.96868517697151 0.14627281912443 15.999 > 30 128 O 0.75000000000000 0.96868517697151 0.14627281912443 15.999 > 30 129 O 0.25000000000000 0.53131482302849 0.64627281912443 15.999 > 31 130 O 0.75000000000000 0.53131482302849 0.64627281912443 15.999 > 31 131 O 0.36449543361628 0.61288506217109 0.46299464867342 15.999 > 32 132 O 0.86449543361628 0.61288506217109 0.46299464867342 15.999 > 32 133 O 0.37500000000000 0.61296383412990 0.25000000000000 15.999 > 33 134 O 0.87500000000000 0.61296383412990 0.25000000000000 15.999 > 33 135 O 0.38550456638372 0.61288506217109 0.03700535132658 15.999 > 34 136 O 0.88550456638372 0.61288506217109 0.03700535132658 15.999 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0288183 0.0000000 0.0000000 0.0000000 4.2700053 0.0000000 0.0000000 0.0000000 4.1675567 -------------------------- Born effective charges -------------------------- 1 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 0.2751191 0.0000000 0.2736536 2.5779622 2 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 0.0522888 0.0000000 0.1894808 2.5404962 3 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 -0.0522888 0.0000000 -0.1894808 2.5404962 4 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 -0.2751191 0.0000000 -0.2736536 2.5779622 5 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 0.0522888 0.0000000 0.1894808 2.5404962 6 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 -0.2751191 0.0000000 -0.2736536 2.5779622 7 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 -0.0522888 0.0000000 -0.1894808 2.5404962 8 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 0.2751191 0.0000000 0.2736536 2.5779622 9 Sn 2.9590988 0.0000000 -0.0000000 0.0000000 3.4974862 0.3792414 0.0000000 0.8170582 3.8805422 10 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 0.3791579 0.0000000 0.3205158 3.9890053 11 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 -0.3791579 0.0000000 -0.3205158 3.9890053 12 Sn 2.9590988 0.0000000 -0.0000000 0.0000000 3.4974862 -0.3792414 0.0000000 -0.8170582 3.8805422 13 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 0.3791579 0.0000000 0.3205158 3.9890053 14 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 -0.3791579 0.0000000 -0.3205158 3.9890053 15 O -2.1120569 0.2295839 0.0356623 0.1910417 -2.1194228 -0.1508651 -0.0299997 -0.3173823 -2.2080892 16 O -2.6558038 0.0000000 0.7208534 0.0000000 -1.7456296 0.0000000 0.7362369 0.0000000 -2.5053314 17 O -2.1120569 -0.2295839 0.0356623 -0.1910417 -2.1194228 0.1508651 -0.0299997 0.3173823 -2.2080892 18 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 -0.0011822 0.0000000 0.0800381 -1.7614190 19 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 0.0011822 0.0000000 -0.0800381 -1.7614190 20 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 0.0424550 0.0000000 -0.1506316 -2.3648060 21 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 -0.0424550 0.0000000 0.1506316 -2.3648060 22 O -2.1120569 -0.2295839 -0.0356623 -0.1910417 -2.1194228 -0.1508651 0.0299997 -0.3173823 -2.2080892 23 O -2.1120569 0.2295839 -0.0356623 0.1910417 -2.1194228 0.1508651 0.0299997 0.3173823 -2.2080892 24 O -2.6558038 0.0000000 -0.7208534 0.0000000 -1.7456296 0.0000000 -0.7362369 0.0000000 -2.5053314 25 O -2.6558038 0.0000000 -0.7208534 0.0000000 -1.7456296 0.0000000 -0.7362369 0.0000000 -2.5053314 26 O -2.1120569 0.2295839 -0.0356623 0.1910417 -2.1194228 0.1508651 0.0299997 0.3173823 -2.2080892 27 O -2.1120569 -0.2295839 -0.0356623 -0.1910417 -2.1194228 -0.1508651 0.0299997 -0.3173823 -2.2080892 28 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 0.0011822 0.0000000 -0.0800381 -1.7614190 29 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 -0.0011822 0.0000000 0.0800381 -1.7614190 30 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 0.0424550 0.0000000 -0.1506316 -2.3648060 31 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 -0.0424550 0.0000000 0.1506316 -2.3648060 32 O -2.1120569 -0.2295839 0.0356623 -0.1910417 -2.1194228 0.1508651 -0.0299997 0.3173823 -2.2080892 33 O -2.6558038 0.0000000 0.7208534 0.0000000 -1.7456296 0.0000000 0.7362369 0.0000000 -2.5053314 34 O -2.1120569 0.2295839 0.0356623 0.1910417 -2.1194228 -0.1508651 -0.0299997 -0.3173823 -2.2080892 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25410/25410 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2822 Number of blocks in projector: 2822 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: 698 Use submatrix version of eigh solver. (1) Block: 500 / 698 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 698 / 698 (1) 184 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 404 Use standard eigh solver. Tree of FC basis block matrices: - (2822, 2778), data: False |-- (404, 396), data: True |-- (404, 396), data: True |-- (404, 396), data: True |-- (452, 450), data: True |-- (460, 456), data: True |-- (698, 684), data: False |-- (698, 14), data: (698, 28) @ (28, 14) |-- (198, 184), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 0.930 Solver_block: 200 / 560 - Time: 0.893 Solver_block: 300 / 560 - Time: 0.873 Solver_block: 400 / 560 - Time: 0.886 Solver_block: 500 / 560 - Time: 0.877 Solver_block: 560 / 560 - Time: 0.590 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.168 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 25410/25410 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2822 Number of blocks in projector: 2822 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: 698 Use submatrix version of eigh solver. (1) Block: 500 / 698 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 698 / 698 (1) 184 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 404 Use standard eigh solver. Tree of FC basis block matrices: - (2822, 2778), data: False |-- (404, 396), data: True |-- (404, 396), data: True |-- (404, 396), data: True |-- (452, 450), data: True |-- (460, 456), data: True |-- (698, 684), data: False |-- (698, 14), data: (698, 28) @ (28, 14) |-- (198, 184), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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 2026-01-09 02:40:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:40:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.986062435000000 -6.703284405000002 0.000000000000000 b 2.986062435000000 6.703284405000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.822272460000004 Atomic positions (fractional): 1 Ba 0.23408323134821 0.76591676865179 0.38323862408425 137.327 2 Ba 0.02926937183262 0.97073062816738 0.14308263101914 137.327 3 Ba 0.47073062816738 0.52926937183262 0.64308263101914 137.327 4 Ba 0.26591676865180 0.73408323134820 0.88323862408425 137.327 5 Ba 0.97073062816738 0.02926937183262 0.85691736898086 137.327 6 Ba 0.73408323134821 0.26591676865179 0.11676137591575 137.327 7 Ba 0.52926937183262 0.47073062816738 0.35691736898086 137.327 8 Ba 0.76591676865180 0.23408323134820 0.61676137591575 137.327 9 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 10 Sn 0.36302212589447 0.63697787410553 0.15414592691448 118.710 11 Sn 0.13697787410553 0.86302212589447 0.65414592691448 118.710 12 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 13 Sn 0.63697787410553 0.36302212589447 0.84585407308552 118.710 14 Sn 0.86302212589447 0.13697787410553 0.34585407308552 118.710 15 O 0.84187592940365 0.61610580506146 0.96299464867342 15.999 16 O 0.86296383412990 0.63703616587010 0.75000000000000 15.999 17 O 0.88389419493854 0.65812407059635 0.53700535132658 15.999 18 O 0.21604711723430 0.78395288276570 0.16772530442199 15.999 19 O 0.28395288276570 0.71604711723430 0.66772530442199 15.999 20 O 0.46868517697151 0.53131482302849 0.85372718087557 15.999 21 O 0.03131482302849 0.96868517697151 0.35372718087557 15.999 22 O 0.61610580506146 0.84187592940365 0.03700535132658 15.999 23 O 0.34187592940365 0.11610580506146 0.53700535132658 15.999 24 O 0.63703616587010 0.86296383412990 0.25000000000000 15.999 25 O 0.36296383412990 0.13703616587010 0.75000000000000 15.999 26 O 0.65812407059635 0.88389419493854 0.46299464867342 15.999 27 O 0.38389419493854 0.15812407059635 0.96299464867342 15.999 28 O 0.71604711723430 0.28395288276570 0.33227469557801 15.999 29 O 0.78395288276570 0.21604711723430 0.83227469557801 15.999 30 O 0.53131482302849 0.46868517697151 0.14627281912443 15.999 31 O 0.96868517697151 0.03131482302849 0.64627281912443 15.999 32 O 0.11610580506146 0.34187592940365 0.46299464867342 15.999 33 O 0.13703616587010 0.36296383412990 0.25000000000000 15.999 34 O 0.15812407059635 0.38389419493854 0.03700535132658 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.944249740000002 0.000000000000000 0.000000000000000 b 0.000000000000000 13.406568810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 13.822272460000004 Atomic positions (fractional): 1 Ba 0.25000000000000 0.26591676865179 0.38323862408425 137.327 > 1 2 Ba 0.75000000000000 0.26591676865179 0.38323862408425 137.327 > 1 3 Ba 0.25000000000000 0.47073062816738 0.14308263101914 137.327 > 3 4 Ba 0.75000000000000 0.47073062816738 0.14308263101914 137.327 > 3 5 Ba 0.25000000000000 0.02926937183262 0.64308263101914 137.327 > 5 6 Ba 0.75000000000000 0.02926937183262 0.64308263101914 137.327 > 5 7 Ba 0.25000000000000 0.23408323134820 0.88323862408425 137.327 > 7 8 Ba 0.75000000000000 0.23408323134820 0.88323862408425 137.327 > 7 9 Ba 0.00000000000000 0.02926937183262 0.85691736898086 137.327 > 9 10 Ba 0.50000000000000 0.02926937183262 0.85691736898086 137.327 > 9 11 Ba 0.00000000000000 0.26591676865179 0.11676137591575 137.327 > 11 12 Ba 0.50000000000000 0.26591676865179 0.11676137591575 137.327 > 11 13 Ba 0.00000000000000 0.47073062816738 0.35691736898086 137.327 > 13 14 Ba 0.50000000000000 0.47073062816738 0.35691736898086 137.327 > 13 15 Ba 0.00000000000000 0.23408323134820 0.61676137591575 137.327 > 15 16 Ba 0.50000000000000 0.23408323134820 0.61676137591575 137.327 > 15 17 Ba 0.00000000000000 0.76591676865180 0.38323862408425 137.327 > 1 18 Ba 0.50000000000000 0.76591676865180 0.38323862408425 137.327 > 1 19 Ba 0.00000000000000 0.97073062816738 0.14308263101914 137.327 > 3 20 Ba 0.50000000000000 0.97073062816738 0.14308263101914 137.327 > 3 21 Ba 0.00000000000000 0.52926937183262 0.64308263101914 137.327 > 5 22 Ba 0.50000000000000 0.52926937183262 0.64308263101914 137.327 > 5 23 Ba 0.00000000000000 0.73408323134820 0.88323862408425 137.327 > 7 24 Ba 0.50000000000000 0.73408323134820 0.88323862408425 137.327 > 7 25 Ba 0.25000000000000 0.52926937183262 0.85691736898086 137.327 > 9 26 Ba 0.75000000000000 0.52926937183262 0.85691736898086 137.327 > 9 27 Ba 0.25000000000000 0.76591676865180 0.11676137591575 137.327 > 11 28 Ba 0.75000000000000 0.76591676865180 0.11676137591575 137.327 > 11 29 Ba 0.25000000000000 0.97073062816738 0.35691736898086 137.327 > 13 30 Ba 0.75000000000000 0.97073062816738 0.35691736898086 137.327 > 13 31 Ba 0.25000000000000 0.73408323134820 0.61676137591575 137.327 > 15 32 Ba 0.75000000000000 0.73408323134820 0.61676137591575 137.327 > 15 33 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 33 34 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 33 35 Sn 0.25000000000000 0.13697787410553 0.15414592691448 118.710 > 35 36 Sn 0.75000000000000 0.13697787410553 0.15414592691448 118.710 > 35 37 Sn 0.25000000000000 0.36302212589447 0.65414592691448 118.710 > 37 38 Sn 0.75000000000000 0.36302212589447 0.65414592691448 118.710 > 37 39 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 39 40 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 39 41 Sn 0.00000000000000 0.36302212589447 0.84585407308552 118.710 > 41 42 Sn 0.50000000000000 0.36302212589447 0.84585407308552 118.710 > 41 43 Sn 0.00000000000000 0.13697787410553 0.34585407308552 118.710 > 43 44 Sn 0.50000000000000 0.13697787410553 0.34585407308552 118.710 > 43 45 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 33 46 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 33 47 Sn 0.00000000000000 0.63697787410553 0.15414592691448 118.710 > 35 48 Sn 0.50000000000000 0.63697787410553 0.15414592691448 118.710 > 35 49 Sn 0.00000000000000 0.86302212589447 0.65414592691448 118.710 > 37 50 Sn 0.50000000000000 0.86302212589447 0.65414592691448 118.710 > 37 51 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 39 52 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 39 53 Sn 0.25000000000000 0.86302212589447 0.84585407308552 118.710 > 41 54 Sn 0.75000000000000 0.86302212589447 0.84585407308552 118.710 > 41 55 Sn 0.25000000000000 0.63697787410553 0.34585407308552 118.710 > 43 56 Sn 0.75000000000000 0.63697787410553 0.34585407308552 118.710 > 43 57 O 0.11449543361628 0.38711493782891 0.96299464867342 15.999 > 57 58 O 0.61449543361628 0.38711493782891 0.96299464867342 15.999 > 57 59 O 0.12500000000000 0.38703616587010 0.75000000000000 15.999 > 59 60 O 0.62500000000000 0.38703616587010 0.75000000000000 15.999 > 59 61 O 0.13550456638372 0.38711493782891 0.53700535132658 15.999 > 61 62 O 0.63550456638372 0.38711493782891 0.53700535132658 15.999 > 61 63 O 0.25000000000000 0.28395288276570 0.16772530442199 15.999 > 63 64 O 0.75000000000000 0.28395288276570 0.16772530442199 15.999 > 63 65 O 0.25000000000000 0.21604711723430 0.66772530442199 15.999 > 65 66 O 0.75000000000000 0.21604711723430 0.66772530442199 15.999 > 65 67 O 0.25000000000000 0.03131482302849 0.85372718087557 15.999 > 67 68 O 0.75000000000000 0.03131482302849 0.85372718087557 15.999 > 67 69 O 0.25000000000000 0.46868517697151 0.35372718087557 15.999 > 69 70 O 0.75000000000000 0.46868517697151 0.35372718087557 15.999 > 69 71 O 0.36449543361628 0.11288506217109 0.03700535132658 15.999 > 71 72 O 0.86449543361628 0.11288506217109 0.03700535132658 15.999 > 71 73 O 0.36449543361628 0.38711493782891 0.53700535132658 15.999 > 73 74 O 0.86449543361628 0.38711493782891 0.53700535132658 15.999 > 73 75 O 0.37500000000000 0.11296383412990 0.25000000000000 15.999 > 75 76 O 0.87500000000000 0.11296383412990 0.25000000000000 15.999 > 75 77 O 0.37500000000000 0.38703616587010 0.75000000000000 15.999 > 77 78 O 0.87500000000000 0.38703616587010 0.75000000000000 15.999 > 77 79 O 0.38550456638372 0.11288506217109 0.46299464867342 15.999 > 79 80 O 0.88550456638372 0.11288506217109 0.46299464867342 15.999 > 79 81 O 0.38550456638372 0.38711493782891 0.96299464867342 15.999 > 81 82 O 0.88550456638372 0.38711493782891 0.96299464867342 15.999 > 81 83 O 0.00000000000000 0.28395288276570 0.33227469557801 15.999 > 83 84 O 0.50000000000000 0.28395288276570 0.33227469557801 15.999 > 83 85 O 0.00000000000000 0.21604711723430 0.83227469557801 15.999 > 85 86 O 0.50000000000000 0.21604711723430 0.83227469557801 15.999 > 85 87 O 0.00000000000000 0.46868517697151 0.14627281912443 15.999 > 87 88 O 0.50000000000000 0.46868517697151 0.14627281912443 15.999 > 87 89 O 0.00000000000000 0.03131482302849 0.64627281912443 15.999 > 89 90 O 0.50000000000000 0.03131482302849 0.64627281912443 15.999 > 89 91 O 0.11449543361628 0.11288506217109 0.46299464867342 15.999 > 91 92 O 0.61449543361628 0.11288506217109 0.46299464867342 15.999 > 91 93 O 0.12500000000000 0.11296383412990 0.25000000000000 15.999 > 93 94 O 0.62500000000000 0.11296383412990 0.25000000000000 15.999 > 93 95 O 0.13550456638372 0.11288506217109 0.03700535132658 15.999 > 95 96 O 0.63550456638372 0.11288506217109 0.03700535132658 15.999 > 95 97 O 0.36449543361628 0.88711493782891 0.96299464867342 15.999 > 57 98 O 0.86449543361628 0.88711493782891 0.96299464867342 15.999 > 57 99 O 0.37500000000000 0.88703616587010 0.75000000000000 15.999 > 59 100 O 0.87500000000000 0.88703616587010 0.75000000000000 15.999 > 59 101 O 0.38550456638372 0.88711493782891 0.53700535132658 15.999 > 61 102 O 0.88550456638372 0.88711493782891 0.53700535132658 15.999 > 61 103 O 0.00000000000000 0.78395288276570 0.16772530442199 15.999 > 63 104 O 0.50000000000000 0.78395288276570 0.16772530442199 15.999 > 63 105 O 0.00000000000000 0.71604711723430 0.66772530442199 15.999 > 65 106 O 0.50000000000000 0.71604711723430 0.66772530442199 15.999 > 65 107 O 0.00000000000000 0.53131482302849 0.85372718087557 15.999 > 67 108 O 0.50000000000000 0.53131482302849 0.85372718087557 15.999 > 67 109 O 0.00000000000000 0.96868517697151 0.35372718087557 15.999 > 69 110 O 0.50000000000000 0.96868517697151 0.35372718087557 15.999 > 69 111 O 0.11449543361628 0.61288506217109 0.03700535132658 15.999 > 71 112 O 0.61449543361628 0.61288506217109 0.03700535132658 15.999 > 71 113 O 0.11449543361628 0.88711493782891 0.53700535132658 15.999 > 73 114 O 0.61449543361628 0.88711493782891 0.53700535132658 15.999 > 73 115 O 0.12500000000000 0.61296383412990 0.25000000000000 15.999 > 75 116 O 0.62500000000000 0.61296383412990 0.25000000000000 15.999 > 75 117 O 0.12500000000000 0.88703616587010 0.75000000000000 15.999 > 77 118 O 0.62500000000000 0.88703616587010 0.75000000000000 15.999 > 77 119 O 0.13550456638372 0.61288506217109 0.46299464867342 15.999 > 79 120 O 0.63550456638372 0.61288506217109 0.46299464867342 15.999 > 79 121 O 0.13550456638372 0.88711493782891 0.96299464867342 15.999 > 81 122 O 0.63550456638372 0.88711493782891 0.96299464867342 15.999 > 81 123 O 0.25000000000000 0.78395288276570 0.33227469557801 15.999 > 83 124 O 0.75000000000000 0.78395288276570 0.33227469557801 15.999 > 83 125 O 0.25000000000000 0.71604711723430 0.83227469557801 15.999 > 85 126 O 0.75000000000000 0.71604711723430 0.83227469557801 15.999 > 85 127 O 0.25000000000000 0.96868517697151 0.14627281912443 15.999 > 87 128 O 0.75000000000000 0.96868517697151 0.14627281912443 15.999 > 87 129 O 0.25000000000000 0.53131482302849 0.64627281912443 15.999 > 89 130 O 0.75000000000000 0.53131482302849 0.64627281912443 15.999 > 89 131 O 0.36449543361628 0.61288506217109 0.46299464867342 15.999 > 91 132 O 0.86449543361628 0.61288506217109 0.46299464867342 15.999 > 91 133 O 0.37500000000000 0.61296383412990 0.25000000000000 15.999 > 93 134 O 0.87500000000000 0.61296383412990 0.25000000000000 15.999 > 93 135 O 0.38550456638372 0.61288506217109 0.03700535132658 15.999 > 95 136 O 0.88550456638372 0.61288506217109 0.03700535132658 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0288183 0.0000000 0.0000000 0.0000000 4.2700053 0.0000000 0.0000000 0.0000000 4.1675567 -------------------------- Born effective charges -------------------------- 1 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 0.2751191 0.0000000 0.2736536 2.5779622 2 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 0.0522888 0.0000000 0.1894808 2.5404962 3 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 -0.0522888 0.0000000 -0.1894808 2.5404962 4 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 -0.2751191 0.0000000 -0.2736536 2.5779622 5 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 0.0522888 0.0000000 0.1894808 2.5404962 6 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 -0.2751191 0.0000000 -0.2736536 2.5779622 7 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 -0.0522888 0.0000000 -0.1894808 2.5404962 8 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 0.2751191 0.0000000 0.2736536 2.5779622 9 Sn 2.9590988 0.0000000 -0.0000000 0.0000000 3.4974862 0.3792414 0.0000000 0.8170582 3.8805422 10 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 0.3791579 0.0000000 0.3205158 3.9890053 11 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 -0.3791579 0.0000000 -0.3205158 3.9890053 12 Sn 2.9590988 0.0000000 -0.0000000 0.0000000 3.4974862 -0.3792414 0.0000000 -0.8170582 3.8805422 13 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 0.3791579 0.0000000 0.3205158 3.9890053 14 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 -0.3791579 0.0000000 -0.3205158 3.9890053 15 O -2.1120569 0.2295839 0.0356623 0.1910417 -2.1194228 -0.1508651 -0.0299997 -0.3173823 -2.2080892 16 O -2.6558038 0.0000000 0.7208534 0.0000000 -1.7456296 0.0000000 0.7362369 0.0000000 -2.5053314 17 O -2.1120569 -0.2295839 0.0356623 -0.1910417 -2.1194228 0.1508651 -0.0299997 0.3173823 -2.2080892 18 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 -0.0011822 0.0000000 0.0800381 -1.7614190 19 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 0.0011822 0.0000000 -0.0800381 -1.7614190 20 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 0.0424550 0.0000000 -0.1506316 -2.3648060 21 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 -0.0424550 0.0000000 0.1506316 -2.3648060 22 O -2.1120569 -0.2295839 -0.0356623 -0.1910417 -2.1194228 -0.1508651 0.0299997 -0.3173823 -2.2080892 23 O -2.1120569 0.2295839 -0.0356623 0.1910417 -2.1194228 0.1508651 0.0299997 0.3173823 -2.2080892 24 O -2.6558038 0.0000000 -0.7208534 0.0000000 -1.7456296 0.0000000 -0.7362369 0.0000000 -2.5053314 25 O -2.6558038 0.0000000 -0.7208534 0.0000000 -1.7456296 0.0000000 -0.7362369 0.0000000 -2.5053314 26 O -2.1120569 0.2295839 -0.0356623 0.1910417 -2.1194228 0.1508651 0.0299997 0.3173823 -2.2080892 27 O -2.1120569 -0.2295839 -0.0356623 -0.1910417 -2.1194228 -0.1508651 0.0299997 -0.3173823 -2.2080892 28 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 0.0011822 0.0000000 -0.0800381 -1.7614190 29 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 -0.0011822 0.0000000 0.0800381 -1.7614190 30 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 0.0424550 0.0000000 -0.1506316 -2.3648060 31 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 -0.0424550 0.0000000 0.1506316 -2.3648060 32 O -2.1120569 -0.2295839 0.0356623 -0.1910417 -2.1194228 0.1508651 -0.0299997 0.3173823 -2.2080892 33 O -2.6558038 0.0000000 0.7208534 0.0000000 -1.7456296 0.0000000 0.7362369 0.0000000 -2.5053314 34 O -2.1120569 0.2295839 0.0356623 0.1910417 -2.1194228 -0.1508651 -0.0299997 -0.3173823 -2.2080892 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:41:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:41:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.986062435000000 -6.703284405000002 0.000000000000000 b 2.986062435000000 6.703284405000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.822272460000004 Atomic positions (fractional): 1 Ba 0.23408323134821 0.76591676865179 0.38323862408425 137.327 2 Ba 0.02926937183262 0.97073062816738 0.14308263101914 137.327 3 Ba 0.47073062816738 0.52926937183262 0.64308263101914 137.327 4 Ba 0.26591676865180 0.73408323134820 0.88323862408425 137.327 5 Ba 0.97073062816738 0.02926937183262 0.85691736898086 137.327 6 Ba 0.73408323134821 0.26591676865179 0.11676137591575 137.327 7 Ba 0.52926937183262 0.47073062816738 0.35691736898086 137.327 8 Ba 0.76591676865180 0.23408323134820 0.61676137591575 137.327 9 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 10 Sn 0.36302212589447 0.63697787410553 0.15414592691448 118.710 11 Sn 0.13697787410553 0.86302212589447 0.65414592691448 118.710 12 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 13 Sn 0.63697787410553 0.36302212589447 0.84585407308552 118.710 14 Sn 0.86302212589447 0.13697787410553 0.34585407308552 118.710 15 O 0.84187592940365 0.61610580506146 0.96299464867342 15.999 16 O 0.86296383412990 0.63703616587010 0.75000000000000 15.999 17 O 0.88389419493854 0.65812407059635 0.53700535132658 15.999 18 O 0.21604711723430 0.78395288276570 0.16772530442199 15.999 19 O 0.28395288276570 0.71604711723430 0.66772530442199 15.999 20 O 0.46868517697151 0.53131482302849 0.85372718087557 15.999 21 O 0.03131482302849 0.96868517697151 0.35372718087557 15.999 22 O 0.61610580506146 0.84187592940365 0.03700535132658 15.999 23 O 0.34187592940365 0.11610580506146 0.53700535132658 15.999 24 O 0.63703616587010 0.86296383412990 0.25000000000000 15.999 25 O 0.36296383412990 0.13703616587010 0.75000000000000 15.999 26 O 0.65812407059635 0.88389419493854 0.46299464867342 15.999 27 O 0.38389419493854 0.15812407059635 0.96299464867342 15.999 28 O 0.71604711723430 0.28395288276570 0.33227469557801 15.999 29 O 0.78395288276570 0.21604711723430 0.83227469557801 15.999 30 O 0.53131482302849 0.46868517697151 0.14627281912443 15.999 31 O 0.96868517697151 0.03131482302849 0.64627281912443 15.999 32 O 0.11610580506146 0.34187592940365 0.46299464867342 15.999 33 O 0.13703616587010 0.36296383412990 0.25000000000000 15.999 34 O 0.15812407059635 0.38389419493854 0.03700535132658 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.944249740000002 0.000000000000000 0.000000000000000 b 0.000000000000000 13.406568810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 13.822272460000004 Atomic positions (fractional): 1 Ba 0.25000000000000 0.26591676865179 0.38323862408425 137.327 > 1 2 Ba 0.75000000000000 0.26591676865179 0.38323862408425 137.327 > 1 3 Ba 0.25000000000000 0.47073062816738 0.14308263101914 137.327 > 3 4 Ba 0.75000000000000 0.47073062816738 0.14308263101914 137.327 > 3 5 Ba 0.25000000000000 0.02926937183262 0.64308263101914 137.327 > 5 6 Ba 0.75000000000000 0.02926937183262 0.64308263101914 137.327 > 5 7 Ba 0.25000000000000 0.23408323134820 0.88323862408425 137.327 > 7 8 Ba 0.75000000000000 0.23408323134820 0.88323862408425 137.327 > 7 9 Ba 0.00000000000000 0.02926937183262 0.85691736898086 137.327 > 9 10 Ba 0.50000000000000 0.02926937183262 0.85691736898086 137.327 > 9 11 Ba 0.00000000000000 0.26591676865179 0.11676137591575 137.327 > 11 12 Ba 0.50000000000000 0.26591676865179 0.11676137591575 137.327 > 11 13 Ba 0.00000000000000 0.47073062816738 0.35691736898086 137.327 > 13 14 Ba 0.50000000000000 0.47073062816738 0.35691736898086 137.327 > 13 15 Ba 0.00000000000000 0.23408323134820 0.61676137591575 137.327 > 15 16 Ba 0.50000000000000 0.23408323134820 0.61676137591575 137.327 > 15 17 Ba 0.00000000000000 0.76591676865180 0.38323862408425 137.327 > 1 18 Ba 0.50000000000000 0.76591676865180 0.38323862408425 137.327 > 1 19 Ba 0.00000000000000 0.97073062816738 0.14308263101914 137.327 > 3 20 Ba 0.50000000000000 0.97073062816738 0.14308263101914 137.327 > 3 21 Ba 0.00000000000000 0.52926937183262 0.64308263101914 137.327 > 5 22 Ba 0.50000000000000 0.52926937183262 0.64308263101914 137.327 > 5 23 Ba 0.00000000000000 0.73408323134820 0.88323862408425 137.327 > 7 24 Ba 0.50000000000000 0.73408323134820 0.88323862408425 137.327 > 7 25 Ba 0.25000000000000 0.52926937183262 0.85691736898086 137.327 > 9 26 Ba 0.75000000000000 0.52926937183262 0.85691736898086 137.327 > 9 27 Ba 0.25000000000000 0.76591676865180 0.11676137591575 137.327 > 11 28 Ba 0.75000000000000 0.76591676865180 0.11676137591575 137.327 > 11 29 Ba 0.25000000000000 0.97073062816738 0.35691736898086 137.327 > 13 30 Ba 0.75000000000000 0.97073062816738 0.35691736898086 137.327 > 13 31 Ba 0.25000000000000 0.73408323134820 0.61676137591575 137.327 > 15 32 Ba 0.75000000000000 0.73408323134820 0.61676137591575 137.327 > 15 33 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 33 34 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 33 35 Sn 0.25000000000000 0.13697787410553 0.15414592691448 118.710 > 35 36 Sn 0.75000000000000 0.13697787410553 0.15414592691448 118.710 > 35 37 Sn 0.25000000000000 0.36302212589447 0.65414592691448 118.710 > 37 38 Sn 0.75000000000000 0.36302212589447 0.65414592691448 118.710 > 37 39 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 39 40 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 39 41 Sn 0.00000000000000 0.36302212589447 0.84585407308552 118.710 > 41 42 Sn 0.50000000000000 0.36302212589447 0.84585407308552 118.710 > 41 43 Sn 0.00000000000000 0.13697787410553 0.34585407308552 118.710 > 43 44 Sn 0.50000000000000 0.13697787410553 0.34585407308552 118.710 > 43 45 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 33 46 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 33 47 Sn 0.00000000000000 0.63697787410553 0.15414592691448 118.710 > 35 48 Sn 0.50000000000000 0.63697787410553 0.15414592691448 118.710 > 35 49 Sn 0.00000000000000 0.86302212589447 0.65414592691448 118.710 > 37 50 Sn 0.50000000000000 0.86302212589447 0.65414592691448 118.710 > 37 51 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 39 52 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 39 53 Sn 0.25000000000000 0.86302212589447 0.84585407308552 118.710 > 41 54 Sn 0.75000000000000 0.86302212589447 0.84585407308552 118.710 > 41 55 Sn 0.25000000000000 0.63697787410553 0.34585407308552 118.710 > 43 56 Sn 0.75000000000000 0.63697787410553 0.34585407308552 118.710 > 43 57 O 0.11449543361628 0.38711493782891 0.96299464867342 15.999 > 57 58 O 0.61449543361628 0.38711493782891 0.96299464867342 15.999 > 57 59 O 0.12500000000000 0.38703616587010 0.75000000000000 15.999 > 59 60 O 0.62500000000000 0.38703616587010 0.75000000000000 15.999 > 59 61 O 0.13550456638372 0.38711493782891 0.53700535132658 15.999 > 61 62 O 0.63550456638372 0.38711493782891 0.53700535132658 15.999 > 61 63 O 0.25000000000000 0.28395288276570 0.16772530442199 15.999 > 63 64 O 0.75000000000000 0.28395288276570 0.16772530442199 15.999 > 63 65 O 0.25000000000000 0.21604711723430 0.66772530442199 15.999 > 65 66 O 0.75000000000000 0.21604711723430 0.66772530442199 15.999 > 65 67 O 0.25000000000000 0.03131482302849 0.85372718087557 15.999 > 67 68 O 0.75000000000000 0.03131482302849 0.85372718087557 15.999 > 67 69 O 0.25000000000000 0.46868517697151 0.35372718087557 15.999 > 69 70 O 0.75000000000000 0.46868517697151 0.35372718087557 15.999 > 69 71 O 0.36449543361628 0.11288506217109 0.03700535132658 15.999 > 71 72 O 0.86449543361628 0.11288506217109 0.03700535132658 15.999 > 71 73 O 0.36449543361628 0.38711493782891 0.53700535132658 15.999 > 73 74 O 0.86449543361628 0.38711493782891 0.53700535132658 15.999 > 73 75 O 0.37500000000000 0.11296383412990 0.25000000000000 15.999 > 75 76 O 0.87500000000000 0.11296383412990 0.25000000000000 15.999 > 75 77 O 0.37500000000000 0.38703616587010 0.75000000000000 15.999 > 77 78 O 0.87500000000000 0.38703616587010 0.75000000000000 15.999 > 77 79 O 0.38550456638372 0.11288506217109 0.46299464867342 15.999 > 79 80 O 0.88550456638372 0.11288506217109 0.46299464867342 15.999 > 79 81 O 0.38550456638372 0.38711493782891 0.96299464867342 15.999 > 81 82 O 0.88550456638372 0.38711493782891 0.96299464867342 15.999 > 81 83 O 0.00000000000000 0.28395288276570 0.33227469557801 15.999 > 83 84 O 0.50000000000000 0.28395288276570 0.33227469557801 15.999 > 83 85 O 0.00000000000000 0.21604711723430 0.83227469557801 15.999 > 85 86 O 0.50000000000000 0.21604711723430 0.83227469557801 15.999 > 85 87 O 0.00000000000000 0.46868517697151 0.14627281912443 15.999 > 87 88 O 0.50000000000000 0.46868517697151 0.14627281912443 15.999 > 87 89 O 0.00000000000000 0.03131482302849 0.64627281912443 15.999 > 89 90 O 0.50000000000000 0.03131482302849 0.64627281912443 15.999 > 89 91 O 0.11449543361628 0.11288506217109 0.46299464867342 15.999 > 91 92 O 0.61449543361628 0.11288506217109 0.46299464867342 15.999 > 91 93 O 0.12500000000000 0.11296383412990 0.25000000000000 15.999 > 93 94 O 0.62500000000000 0.11296383412990 0.25000000000000 15.999 > 93 95 O 0.13550456638372 0.11288506217109 0.03700535132658 15.999 > 95 96 O 0.63550456638372 0.11288506217109 0.03700535132658 15.999 > 95 97 O 0.36449543361628 0.88711493782891 0.96299464867342 15.999 > 57 98 O 0.86449543361628 0.88711493782891 0.96299464867342 15.999 > 57 99 O 0.37500000000000 0.88703616587010 0.75000000000000 15.999 > 59 100 O 0.87500000000000 0.88703616587010 0.75000000000000 15.999 > 59 101 O 0.38550456638372 0.88711493782891 0.53700535132658 15.999 > 61 102 O 0.88550456638372 0.88711493782891 0.53700535132658 15.999 > 61 103 O 0.00000000000000 0.78395288276570 0.16772530442199 15.999 > 63 104 O 0.50000000000000 0.78395288276570 0.16772530442199 15.999 > 63 105 O 0.00000000000000 0.71604711723430 0.66772530442199 15.999 > 65 106 O 0.50000000000000 0.71604711723430 0.66772530442199 15.999 > 65 107 O 0.00000000000000 0.53131482302849 0.85372718087557 15.999 > 67 108 O 0.50000000000000 0.53131482302849 0.85372718087557 15.999 > 67 109 O 0.00000000000000 0.96868517697151 0.35372718087557 15.999 > 69 110 O 0.50000000000000 0.96868517697151 0.35372718087557 15.999 > 69 111 O 0.11449543361628 0.61288506217109 0.03700535132658 15.999 > 71 112 O 0.61449543361628 0.61288506217109 0.03700535132658 15.999 > 71 113 O 0.11449543361628 0.88711493782891 0.53700535132658 15.999 > 73 114 O 0.61449543361628 0.88711493782891 0.53700535132658 15.999 > 73 115 O 0.12500000000000 0.61296383412990 0.25000000000000 15.999 > 75 116 O 0.62500000000000 0.61296383412990 0.25000000000000 15.999 > 75 117 O 0.12500000000000 0.88703616587010 0.75000000000000 15.999 > 77 118 O 0.62500000000000 0.88703616587010 0.75000000000000 15.999 > 77 119 O 0.13550456638372 0.61288506217109 0.46299464867342 15.999 > 79 120 O 0.63550456638372 0.61288506217109 0.46299464867342 15.999 > 79 121 O 0.13550456638372 0.88711493782891 0.96299464867342 15.999 > 81 122 O 0.63550456638372 0.88711493782891 0.96299464867342 15.999 > 81 123 O 0.25000000000000 0.78395288276570 0.33227469557801 15.999 > 83 124 O 0.75000000000000 0.78395288276570 0.33227469557801 15.999 > 83 125 O 0.25000000000000 0.71604711723430 0.83227469557801 15.999 > 85 126 O 0.75000000000000 0.71604711723430 0.83227469557801 15.999 > 85 127 O 0.25000000000000 0.96868517697151 0.14627281912443 15.999 > 87 128 O 0.75000000000000 0.96868517697151 0.14627281912443 15.999 > 87 129 O 0.25000000000000 0.53131482302849 0.64627281912443 15.999 > 89 130 O 0.75000000000000 0.53131482302849 0.64627281912443 15.999 > 89 131 O 0.36449543361628 0.61288506217109 0.46299464867342 15.999 > 91 132 O 0.86449543361628 0.61288506217109 0.46299464867342 15.999 > 91 133 O 0.37500000000000 0.61296383412990 0.25000000000000 15.999 > 93 134 O 0.87500000000000 0.61296383412990 0.25000000000000 15.999 > 93 135 O 0.38550456638372 0.61288506217109 0.03700535132658 15.999 > 95 136 O 0.88550456638372 0.61288506217109 0.03700535132658 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0288183 0.0000000 0.0000000 0.0000000 4.2700053 0.0000000 0.0000000 0.0000000 4.1675567 -------------------------- Born effective charges -------------------------- 1 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 0.2751191 0.0000000 0.2736536 2.5779622 2 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 0.0522888 0.0000000 0.1894808 2.5404962 3 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 -0.0522888 0.0000000 -0.1894808 2.5404962 4 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 -0.2751191 0.0000000 -0.2736536 2.5779622 5 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 0.0522888 0.0000000 0.1894808 2.5404962 6 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 -0.2751191 0.0000000 -0.2736536 2.5779622 7 Ba 2.7268084 0.0000000 -0.0000000 0.0000000 3.0031068 -0.0522888 0.0000000 -0.1894808 2.5404962 8 Ba 2.6163772 0.0000000 -0.0000000 0.0000000 3.0304601 0.2751191 0.0000000 0.2736536 2.5779622 9 Sn 2.9590988 0.0000000 -0.0000000 0.0000000 3.4974862 0.3792414 0.0000000 0.8170582 3.8805422 10 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 0.3791579 0.0000000 0.3205158 3.9890053 11 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 -0.3791579 0.0000000 -0.3205158 3.9890053 12 Sn 2.9590988 0.0000000 -0.0000000 0.0000000 3.4974862 -0.3792414 0.0000000 -0.8170582 3.8805422 13 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 0.3791579 0.0000000 0.3205158 3.9890053 14 Sn 3.7598792 0.0000000 -0.0000000 0.0000000 3.6063125 -0.3791579 0.0000000 -0.3205158 3.9890053 15 O -2.1120569 0.2295839 0.0356623 0.1910417 -2.1194228 -0.1508651 -0.0299997 -0.3173823 -2.2080892 16 O -2.6558038 0.0000000 0.7208534 0.0000000 -1.7456296 0.0000000 0.7362369 0.0000000 -2.5053314 17 O -2.1120569 -0.2295839 0.0356623 -0.1910417 -2.1194228 0.1508651 -0.0299997 0.3173823 -2.2080892 18 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 -0.0011822 0.0000000 0.0800381 -1.7614190 19 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 0.0011822 0.0000000 -0.0800381 -1.7614190 20 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 0.0424550 0.0000000 -0.1506316 -2.3648060 21 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 -0.0424550 0.0000000 0.1506316 -2.3648060 22 O -2.1120569 -0.2295839 -0.0356623 -0.1910417 -2.1194228 -0.1508651 0.0299997 -0.3173823 -2.2080892 23 O -2.1120569 0.2295839 -0.0356623 0.1910417 -2.1194228 0.1508651 0.0299997 0.3173823 -2.2080892 24 O -2.6558038 0.0000000 -0.7208534 0.0000000 -1.7456296 0.0000000 -0.7362369 0.0000000 -2.5053314 25 O -2.6558038 0.0000000 -0.7208534 0.0000000 -1.7456296 0.0000000 -0.7362369 0.0000000 -2.5053314 26 O -2.1120569 0.2295839 -0.0356623 0.1910417 -2.1194228 0.1508651 0.0299997 0.3173823 -2.2080892 27 O -2.1120569 -0.2295839 -0.0356623 -0.1910417 -2.1194228 -0.1508651 0.0299997 -0.3173823 -2.2080892 28 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 0.0011822 0.0000000 -0.0800381 -1.7614190 29 O -1.9082500 0.0000000 -0.0000000 0.0000000 -2.9560376 -0.0011822 0.0000000 0.0800381 -1.7614190 30 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 0.0424550 0.0000000 -0.1506316 -2.3648060 31 O -1.7944465 0.0000000 -0.0000000 0.0000000 -2.4481099 -0.0424550 0.0000000 0.1506316 -2.3648060 32 O -2.1120569 -0.2295839 0.0356623 -0.1910417 -2.1194228 0.1508651 -0.0299997 0.3173823 -2.2080892 33 O -2.6558038 0.0000000 0.7208534 0.0000000 -1.7456296 0.0000000 0.7362369 0.0000000 -2.5053314 34 O -2.1120569 0.2295839 0.0356623 0.1910417 -2.1194228 -0.1508651 -0.0299997 -0.3173823 -2.2080892 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) 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 ... [ 9 9 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: 0.51, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 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 1.089 ( 0.000 0.000 0.000) 0.000 1.363 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.414 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.138 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.491 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 8.004 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 8.477 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 9.080 ( 0.000 0.000 0.000) 0.000 9.133 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 9.883 ( 0.000 0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.496 ( 0.000 0.000 0.000) 0.000 10.709 ( 0.000 0.000 0.000) 0.000 11.138 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 11.316 ( 0.000 0.000 0.000) 0.000 11.418 ( 0.000 0.000 0.000) 0.000 11.774 ( 0.000 0.000 0.000) 0.000 12.610 ( 0.000 0.000 0.000) 0.000 12.646 ( 0.000 0.000 0.000) 0.000 12.972 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.451 ( 0.000 0.000 0.000) 0.000 13.480 ( 0.000 0.000 0.000) 0.000 13.940 ( 0.000 0.000 0.000) 0.000 14.686 ( 0.000 0.000 0.000) 0.000 14.874 ( 0.000 0.000 0.000) 0.000 15.047 ( 0.000 0.000 0.000) 0.000 15.744 ( 0.000 0.000 0.000) 0.000 16.285 ( 0.000 0.000 0.000) 0.000 16.627 ( 0.000 0.000 0.000) 0.000 17.000 ( 0.000 0.000 0.000) 0.000 17.047 ( 0.000 0.000 0.000) 0.000 18.263 ( 0.000 0.000 0.000) 0.000 18.308 ( 0.000 0.000 0.000) 0.000 18.886 ( 0.000 0.000 0.000) 0.000 18.921 ( 0.000 0.000 0.000) 0.000 19.792 ( 0.000 0.000 0.000) 0.000 19.793 ( 0.000 0.000 0.000) 0.000 22.445 ( 0.000 0.000 0.000) 0.000 22.797 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 18.407 -11.200 0.000) 21.547 0.474 ( 18.225 -15.348 0.000) 23.827 0.972 ( 42.406 -18.283 0.000) 46.180 1.338 ( 18.297 -2.211 0.000) 18.430 1.419 ( 5.283 -0.322 0.000) 5.293 1.599 ( -2.528 1.845 0.000) 3.130 1.677 ( -1.254 -0.180 0.000) 1.267 1.683 ( -1.584 0.644 0.000) 1.710 1.698 ( 1.845 2.052 0.000) 2.759 1.866 ( -0.577 2.842 0.000) 2.900 1.902 ( 9.492 3.637 0.000) 10.165 2.009 ( -0.525 -1.897 0.000) 1.969 2.128 ( 9.558 -2.433 0.000) 9.863 2.132 ( 5.049 1.372 0.000) 5.232 2.180 ( 4.025 -3.281 0.000) 5.193 2.294 ( 4.161 0.387 0.000) 4.179 2.335 ( 2.602 6.707 0.000) 7.194 2.367 ( 5.014 1.477 0.000) 5.227 2.480 ( 5.909 -3.177 0.000) 6.709 2.639 ( 2.413 -6.120 0.000) 6.578 2.713 ( -0.416 -1.439 0.000) 1.498 2.717 ( -1.727 -1.424 0.000) 2.238 2.954 ( 15.181 1.319 0.000) 15.238 3.024 ( 2.235 -2.071 0.000) 3.048 3.223 ( 8.851 1.131 0.000) 8.923 3.247 ( -4.406 10.043 0.000) 10.967 3.285 ( 2.513 3.974 0.000) 4.702 3.390 ( -0.938 5.906 0.000) 5.980 3.460 ( -2.244 1.641 0.000) 2.780 3.623 ( -8.589 2.390 0.000) 8.915 3.664 ( 15.217 7.802 0.000) 17.100 3.794 ( -3.866 0.456 0.000) 3.892 3.826 ( 12.489 16.961 0.000) 21.063 3.874 ( 3.153 0.359 0.000) 3.173 4.105 ( -2.346 -4.517 0.000) 5.090 4.237 ( 6.798 -0.970 0.000) 6.867 4.451 ( -5.156 1.929 0.000) 5.505 4.476 ( 1.103 -1.858 0.000) 2.161 4.631 ( 4.970 5.077 0.000) 7.104 4.789 ( -13.160 -9.779 0.000) 16.396 4.969 ( -3.087 3.150 0.000) 4.410 5.029 ( -2.930 -4.678 0.000) 5.520 5.174 ( 3.592 0.284 0.000) 3.603 5.342 ( 7.952 3.229 0.000) 8.582 5.497 ( 1.294 -0.045 0.000) 1.295 5.648 ( -4.014 -1.758 0.000) 4.382 5.714 ( 9.566 1.731 0.000) 9.721 5.772 ( -2.489 -3.960 0.000) 4.677 5.921 ( 7.185 -2.504 0.000) 7.609 6.029 ( 6.354 6.549 0.000) 9.125 6.241 ( 4.124 1.336 0.000) 4.335 6.284 ( 8.109 -0.584 0.000) 8.130 6.866 ( 2.371 0.740 0.000) 2.483 7.144 ( 0.461 -1.928 0.000) 1.982 7.407 ( -10.607 -0.826 0.000) 10.639 7.911 ( 1.999 0.596 0.000) 2.086 7.987 ( 0.991 1.973 0.000) 2.208 8.026 ( 7.260 -1.461 0.000) 7.406 8.027 ( -15.877 1.219 0.000) 15.924 8.369 ( -1.486 1.582 0.000) 2.170 8.512 ( 3.610 -0.088 0.000) 3.611 8.745 ( -0.096 0.246 0.000) 0.264 9.040 ( -0.525 1.786 0.000) 1.861 9.067 ( -1.136 7.991 0.000) 8.071 9.293 ( -4.206 2.200 0.000) 4.747 9.420 ( 2.947 -0.225 0.000) 2.956 9.770 ( 16.472 35.316 0.000) 38.968 9.803 ( -0.770 -5.167 0.000) 5.224 9.972 ( 7.671 0.104 0.000) 7.672 10.273 ( 7.725 -0.033 0.000) 7.725 10.452 ( -2.193 0.518 0.000) 2.253 10.614 ( -10.794 -30.834 0.000) 32.669 10.840 ( 11.951 1.089 0.000) 12.000 11.245 ( -3.951 -5.875 0.000) 7.080 11.268 ( 3.010 11.139 0.000) 11.538 11.410 ( 8.830 -0.137 0.000) 8.831 11.665 ( -18.063 -32.658 0.000) 37.321 11.790 ( 1.516 -0.980 0.000) 1.805 12.490 ( -3.207 12.334 0.000) 12.744 12.720 ( -0.845 -10.900 0.000) 10.933 12.943 ( -2.191 2.379 0.000) 3.234 13.154 ( 10.035 0.444 0.000) 10.045 13.194 ( 11.151 1.874 0.000) 11.307 13.525 ( 3.749 -2.373 0.000) 4.436 13.847 ( -1.878 2.869 0.000) 3.429 14.595 ( -6.412 4.199 0.000) 7.665 14.860 ( 0.282 3.140 0.000) 3.153 15.017 ( 6.864 12.559 0.000) 14.313 15.100 ( 4.238 -1.125 0.000) 4.385 15.696 ( -12.987 -8.438 0.000) 15.488 16.266 ( -2.338 -0.533 0.000) 2.398 16.513 ( -8.657 3.687 0.000) 9.409 16.994 ( -0.852 -0.474 0.000) 0.975 17.039 ( -0.796 0.062 0.000) 0.798 18.277 ( 1.558 -0.002 0.000) 1.558 18.335 ( 1.862 -1.820 0.000) 2.604 18.854 ( -5.382 -5.038 0.000) 7.372 18.996 ( -13.839 -23.433 0.000) 27.215 20.034 ( 22.594 -0.845 0.000) 22.609 20.821 ( 12.913 10.991 0.000) 16.957 22.407 ( -4.109 -0.093 0.000) 4.110 22.710 ( -8.263 1.365 0.000) 8.375 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 16.100 -7.639 0.000) 17.821 0.914 ( 16.050 -12.474 0.000) 20.327 1.532 ( 5.646 0.045 0.000) 5.646 1.545 ( 3.289 -2.315 0.000) 4.022 1.561 ( 0.740 3.693 0.000) 3.766 1.680 ( 1.758 -1.106 0.000) 2.077 1.708 ( 4.462 0.646 0.000) 4.509 1.775 ( 5.089 -0.040 0.000) 5.089 1.836 ( 21.258 -11.360 0.000) 24.103 1.916 ( 16.693 -7.127 0.000) 18.151 1.949 ( -0.243 2.054 0.000) 2.069 2.073 ( 5.069 2.102 0.000) 5.488 2.209 ( 2.984 -0.742 0.000) 3.075 2.212 ( -3.071 1.374 0.000) 3.364 2.321 ( 3.276 1.688 0.000) 3.686 2.323 ( 9.227 -2.868 0.000) 9.663 2.364 ( 3.969 1.336 0.000) 4.188 2.449 ( 5.244 4.024 0.000) 6.610 2.571 ( -8.548 2.004 0.000) 8.780 2.634 ( 7.225 0.176 0.000) 7.227 2.790 ( 0.796 -7.713 0.000) 7.754 2.812 ( 6.620 -12.027 0.000) 13.729 2.993 ( -5.294 7.420 0.000) 9.115 3.146 ( 5.879 -4.694 0.000) 7.523 3.183 ( -4.950 5.780 0.000) 7.610 3.352 ( -2.798 1.929 0.000) 3.398 3.434 ( -5.656 3.845 0.000) 6.839 3.437 ( 22.616 2.355 0.000) 22.739 3.485 ( 19.265 0.346 0.000) 19.268 3.505 ( 9.328 3.828 0.000) 10.083 3.744 ( -1.180 1.365 0.000) 1.804 3.845 ( 10.698 8.228 0.000) 13.496 3.915 ( 1.825 0.356 0.000) 1.860 3.934 ( 6.953 -0.567 0.000) 6.976 4.138 ( 5.932 2.133 0.000) 6.304 4.335 ( 3.147 1.710 0.000) 3.581 4.355 ( -3.446 -1.290 0.000) 3.680 4.527 ( 1.584 -3.530 0.000) 3.869 4.620 ( -5.562 2.610 0.000) 6.144 4.682 ( 2.903 4.746 0.000) 5.564 4.875 ( -3.776 2.237 0.000) 4.389 4.963 ( -4.508 1.377 0.000) 4.713 5.235 ( 2.489 1.144 0.000) 2.739 5.465 ( 3.895 -1.568 0.000) 4.199 5.561 ( 8.265 4.133 0.000) 9.241 5.573 ( -5.437 -2.859 0.000) 6.143 5.750 ( -4.190 -5.327 0.000) 6.777 5.908 ( 13.026 6.234 0.000) 14.440 6.105 ( 9.233 -2.590 0.000) 9.590 6.107 ( 6.700 0.244 0.000) 6.705 6.367 ( 9.154 -0.349 0.000) 9.160 6.458 ( 7.644 -1.666 0.000) 7.824 6.880 ( -1.581 0.771 0.000) 1.759 7.176 ( 1.156 -2.000 0.000) 2.311 7.193 ( -11.862 -0.425 0.000) 11.870 7.672 ( -16.214 2.341 0.000) 16.383 7.962 ( 0.177 -1.825 0.000) 1.834 7.966 ( -0.736 1.924 0.000) 2.060 8.198 ( 7.342 0.132 0.000) 7.344 8.240 ( -8.963 1.959 0.000) 9.175 8.600 ( 5.816 0.997 0.000) 5.901 8.775 ( 4.826 0.084 0.000) 4.827 9.005 ( -4.341 -4.108 0.000) 5.977 9.014 ( 4.118 11.894 0.000) 12.587 9.182 ( -5.475 0.988 0.000) 5.563 9.479 ( 2.107 -0.945 0.000) 2.310 9.798 ( 8.925 14.851 0.000) 17.326 9.855 ( 1.851 -5.514 0.000) 5.816 10.106 ( 5.323 -1.067 0.000) 5.429 10.419 ( 5.350 -1.662 0.000) 5.603 10.449 ( 1.902 -1.850 0.000) 2.654 10.712 ( 4.066 -9.446 0.000) 10.284 11.070 ( 11.618 2.083 0.000) 11.804 11.207 ( -2.226 4.922 0.000) 5.402 11.235 ( -0.536 -6.281 0.000) 6.303 11.562 ( -12.490 -11.216 0.000) 16.787 11.614 ( 12.039 0.398 0.000) 12.046 11.860 ( 5.077 -0.989 0.000) 5.172 12.305 ( -5.689 11.061 0.000) 12.439 12.792 ( 0.330 -8.087 0.000) 8.094 12.840 ( -5.448 6.230 0.000) 8.276 13.348 ( 6.356 -1.048 0.000) 6.441 13.471 ( 19.254 1.620 0.000) 19.322 13.654 ( 7.308 -4.031 0.000) 8.347 13.812 ( -1.313 -9.620 0.000) 9.710 14.426 ( -6.650 5.209 0.000) 8.447 14.838 ( 0.091 3.089 0.000) 3.090 15.000 ( 3.353 15.200 0.000) 15.565 15.186 ( 3.610 -0.282 0.000) 3.621 15.499 ( -13.140 -6.402 0.000) 14.617 16.205 ( -4.483 -0.046 0.000) 4.484 16.318 ( -8.420 3.208 0.000) 9.010 16.977 ( -1.367 -0.764 0.000) 1.566 17.017 ( -1.358 0.251 0.000) 1.381 18.321 ( 3.041 -0.212 0.000) 3.048 18.401 ( 3.289 -2.201 0.000) 3.958 18.779 ( -6.993 -5.068 0.000) 8.636 18.914 ( -10.158 -11.069 0.000) 15.024 20.533 ( 27.630 -1.663 0.000) 27.680 21.028 ( 15.833 4.748 0.000) 16.529 22.294 ( -8.124 -0.205 0.000) 8.126 22.494 ( -13.008 1.502 0.000) 13.094 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 12.397 -4.670 0.000) 13.247 1.251 ( 9.814 -8.957 0.000) 13.287 1.542 ( 1.061 4.127 0.000) 4.261 1.604 ( 1.949 -1.061 0.000) 2.219 1.621 ( 4.041 0.694 0.000) 4.100 1.715 ( -2.562 0.684 0.000) 2.652 1.767 ( 4.885 -2.685 0.000) 5.574 1.831 ( 4.100 -0.563 0.000) 4.139 1.913 ( -1.920 0.862 0.000) 2.105 2.003 ( 0.155 -2.880 0.000) 2.884 2.130 ( 4.067 3.229 0.000) 5.193 2.144 ( 1.342 -1.262 0.000) 1.842 2.263 ( 3.243 1.670 0.000) 3.648 2.293 ( 0.338 -2.431 0.000) 2.454 2.368 ( -3.716 -3.802 0.000) 5.316 2.433 ( -1.337 3.624 0.000) 3.863 2.473 ( 3.809 6.460 0.000) 7.499 2.539 ( 7.098 -4.022 0.000) 8.158 2.615 ( 17.644 -8.139 0.000) 19.431 2.674 ( -0.260 7.495 0.000) 7.499 2.788 ( -1.424 -0.859 0.000) 1.663 2.910 ( -3.003 -0.219 0.000) 3.011 2.914 ( -0.042 -9.181 0.000) 9.181 3.154 ( 1.380 -3.454 0.000) 3.720 3.298 ( 3.719 -4.539 0.000) 5.868 3.328 ( 2.063 5.942 0.000) 6.290 3.382 ( 5.020 -9.196 0.000) 10.477 3.660 ( 6.576 5.191 0.000) 8.378 3.696 ( 0.190 3.827 0.000) 3.832 3.728 ( 11.575 0.715 0.000) 11.597 3.748 ( 4.873 2.273 0.000) 5.377 3.922 ( 3.916 7.485 0.000) 8.447 3.945 ( 1.427 -1.349 0.000) 1.963 4.111 ( 8.007 -1.938 0.000) 8.239 4.277 ( 5.313 -2.967 0.000) 6.085 4.318 ( -2.316 3.171 0.000) 3.926 4.448 ( 16.409 6.682 0.000) 17.717 4.565 ( 4.889 6.629 0.000) 8.237 4.569 ( -0.310 -2.139 0.000) 2.162 4.694 ( 6.467 4.716 0.000) 8.004 4.819 ( -2.322 -2.798 0.000) 3.636 4.896 ( -1.188 -0.864 0.000) 1.469 5.215 ( -2.832 3.385 0.000) 4.413 5.502 ( -5.855 -4.172 0.000) 7.189 5.503 ( 0.578 -0.758 0.000) 0.953 5.700 ( -6.002 -5.363 0.000) 8.049 5.720 ( 11.943 5.470 0.000) 13.137 6.065 ( 10.770 7.065 0.000) 12.880 6.266 ( 6.083 0.551 0.000) 6.108 6.300 ( 10.896 -3.390 0.000) 11.412 6.505 ( -6.647 -0.398 0.000) 6.659 6.556 ( 10.164 -0.761 0.000) 10.192 6.759 ( -10.456 -2.819 0.000) 10.830 7.018 ( -6.121 0.669 0.000) 6.157 7.217 ( 2.033 -0.687 0.000) 2.146 7.431 ( -8.443 -0.395 0.000) 8.452 7.935 ( -0.683 1.845 0.000) 1.968 7.974 ( -0.377 -1.643 0.000) 1.686 8.067 ( -6.610 1.333 0.000) 6.743 8.237 ( -1.693 2.065 0.000) 2.670 8.698 ( 6.338 3.230 0.000) 7.114 8.917 ( 1.257 -1.027 0.000) 1.623 8.972 ( 4.490 -4.605 0.000) 6.432 9.005 ( 4.912 10.996 0.000) 12.043 9.095 ( -4.273 -2.913 0.000) 5.171 9.488 ( -2.446 -0.980 0.000) 2.635 9.858 ( 7.306 7.090 0.000) 10.180 9.960 ( 5.165 -2.081 0.000) 5.568 10.175 ( 0.364 -4.231 0.000) 4.247 10.461 ( -1.123 0.705 0.000) 1.326 10.564 ( 7.187 -5.139 0.000) 8.835 10.919 ( 11.361 -3.407 0.000) 11.860 11.120 ( -4.021 1.339 0.000) 4.238 11.132 ( -2.082 -3.354 0.000) 3.948 11.397 ( -11.023 -3.355 0.000) 11.523 11.415 ( 14.089 3.775 0.000) 14.586 11.787 ( 5.977 2.542 0.000) 6.495 11.973 ( 5.491 -0.641 0.000) 5.528 12.146 ( -1.976 4.388 0.000) 4.813 12.629 ( -9.958 9.516 0.000) 13.773 12.875 ( 3.780 -3.146 0.000) 4.918 13.313 ( -12.027 -9.512 0.000) 15.334 13.780 ( 11.110 -1.495 0.000) 11.210 13.919 ( 19.698 -1.675 0.000) 19.769 14.035 ( 15.062 -5.380 0.000) 15.994 14.275 ( -6.096 2.939 0.000) 6.768 14.811 ( -0.989 1.353 0.000) 1.676 14.906 ( -0.179 12.288 0.000) 12.289 15.219 ( -0.570 -0.261 0.000) 0.627 15.332 ( -9.745 -3.369 0.000) 10.311 16.109 ( -4.865 1.023 0.000) 4.971 16.154 ( -6.760 2.010 0.000) 7.053 16.959 ( -1.237 -0.947 0.000) 1.557 16.987 ( -1.382 0.546 0.000) 1.486 18.391 ( 4.302 -0.002 0.000) 4.302 18.489 ( 4.458 -1.408 0.000) 4.675 18.683 ( -7.074 -3.499 0.000) 7.892 18.808 ( -8.567 -5.803 0.000) 10.347 21.043 ( 25.275 -1.315 0.000) 25.309 21.312 ( 17.532 2.507 0.000) 17.710 22.107 ( -12.161 -0.195 0.000) 12.162 22.221 ( -15.067 0.719 0.000) 15.084 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.769 -0.956 0.000) 6.836 1.411 ( 1.424 -4.910 0.000) 5.112 1.539 ( 2.048 1.803 0.000) 2.728 1.605 ( -3.392 1.118 0.000) 3.572 1.674 ( 0.567 -0.017 0.000) 0.567 1.674 ( 1.595 0.563 0.000) 1.692 1.861 ( 1.353 -0.293 0.000) 1.384 1.876 ( -0.587 -0.883 0.000) 1.060 1.900 ( 3.123 -1.260 0.000) 3.367 1.980 ( -2.421 1.474 0.000) 2.834 2.184 ( 4.290 2.424 0.000) 4.927 2.211 ( 0.728 -9.216 0.000) 9.245 2.249 ( -4.262 -1.388 0.000) 4.483 2.287 ( 2.312 7.716 0.000) 8.055 2.413 ( 2.674 -8.283 0.000) 8.704 2.449 ( 3.850 2.576 0.000) 4.632 2.462 ( -0.570 0.493 0.000) 0.754 2.544 ( -3.124 7.105 0.000) 7.761 2.587 ( -4.623 0.076 0.000) 4.624 2.612 ( -1.758 5.659 0.000) 5.926 2.871 ( 0.732 -1.181 0.000) 1.390 2.896 ( -1.489 -3.393 0.000) 3.706 3.149 ( 6.101 -11.021 0.000) 12.597 3.186 ( 3.510 4.395 0.000) 5.625 3.393 ( 4.019 -7.952 0.000) 8.910 3.424 ( 7.820 0.010 0.000) 7.820 3.602 ( 1.917 -0.646 0.000) 2.023 3.613 ( 0.790 -5.206 0.000) 5.265 3.614 ( -4.674 3.675 0.000) 5.946 3.753 ( -1.959 3.025 0.000) 3.605 3.861 ( 1.332 1.847 0.000) 2.277 3.885 ( 0.732 8.588 0.000) 8.619 4.078 ( 8.736 -7.160 0.000) 11.295 4.161 ( 1.151 2.609 0.000) 2.852 4.239 ( -3.294 -1.585 0.000) 3.656 4.331 ( -2.365 5.336 0.000) 5.836 4.493 ( 2.056 6.613 0.000) 6.925 4.543 ( -3.475 -0.806 0.000) 3.568 4.730 ( 12.324 2.397 0.000) 12.555 4.815 ( -2.826 -5.422 0.000) 6.114 4.924 ( 5.618 -0.211 0.000) 5.622 5.048 ( 21.770 -2.243 0.000) 21.886 5.085 ( -7.198 4.406 0.000) 8.440 5.376 ( -12.266 -2.371 0.000) 12.493 5.535 ( 4.853 3.987 0.000) 6.281 5.616 ( -7.405 -5.237 0.000) 9.070 5.916 ( 12.971 0.929 0.000) 13.005 6.207 ( 8.358 2.606 0.000) 8.754 6.214 ( -16.947 2.955 0.000) 17.203 6.306 ( -2.630 0.997 0.000) 2.813 6.506 ( 9.182 0.642 0.000) 9.205 6.632 ( -8.369 -6.494 0.000) 10.593 6.749 ( 9.747 -0.555 0.000) 9.763 6.910 ( -6.476 0.802 0.000) 6.525 7.265 ( 3.055 0.471 0.000) 3.091 7.327 ( -4.371 -0.869 0.000) 4.456 7.917 ( 0.251 1.072 0.000) 1.101 7.938 ( -2.652 0.159 0.000) 2.657 8.048 ( 2.849 -2.239 0.000) 3.624 8.146 ( -4.760 2.732 0.000) 5.489 8.779 ( 6.197 5.010 0.000) 7.969 8.853 ( -6.160 -4.619 0.000) 7.699 9.013 ( 4.403 7.847 0.000) 8.998 9.038 ( -4.038 -5.347 0.000) 6.700 9.212 ( 11.368 -1.609 0.000) 11.481 9.399 ( -7.427 0.268 0.000) 7.432 9.945 ( 6.006 2.490 0.000) 6.501 10.014 ( -1.249 0.210 0.000) 1.266 10.248 ( 3.617 -6.687 0.000) 7.602 10.382 ( -4.522 4.502 0.000) 6.381 10.780 ( 10.362 -5.549 0.000) 11.754 10.997 ( -8.053 1.665 0.000) 8.223 11.117 ( 4.480 3.378 0.000) 5.611 11.122 ( -1.567 -3.276 0.000) 3.632 11.308 ( 1.406 -8.728 0.000) 8.841 11.485 ( -2.104 11.626 0.000) 11.815 11.891 ( 9.926 -0.969 0.000) 9.973 12.031 ( -1.367 -0.217 0.000) 1.384 12.180 ( 3.539 -3.836 0.000) 5.219 12.349 ( -9.950 8.931 0.000) 13.370 12.992 ( 9.058 3.544 0.000) 9.726 13.148 ( -13.199 -9.288 0.000) 16.139 13.970 ( 8.474 -1.995 0.000) 8.705 14.130 ( -7.051 1.691 0.000) 7.251 14.272 ( 14.103 0.354 0.000) 14.108 14.321 ( 8.195 -1.907 0.000) 8.414 14.787 ( -0.998 -1.270 0.000) 1.615 14.818 ( -1.628 4.436 0.000) 4.725 15.178 ( -3.372 -1.348 0.000) 3.631 15.193 ( -4.680 1.610 0.000) 4.949 16.034 ( -1.574 1.086 0.000) 1.913 16.047 ( -3.282 0.346 0.000) 3.300 16.951 ( -0.407 -0.972 0.000) 1.053 16.961 ( -0.691 0.822 0.000) 1.074 18.479 ( 5.419 0.728 0.000) 5.468 18.579 ( -6.417 -1.924 0.000) 6.699 18.588 ( 5.677 0.197 0.000) 5.680 18.696 ( -7.080 -2.506 0.000) 7.510 21.484 ( 21.144 -0.765 0.000) 21.158 21.623 ( 17.306 1.368 0.000) 17.360 21.840 ( -16.646 0.234 0.000) 16.647 21.928 ( -16.204 -0.411 0.000) 16.209 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 19.243 0.000 0.000) 19.243 0.802 ( 20.619 0.000 0.000) 20.619 1.524 ( 3.957 0.000 0.000) 3.957 1.531 ( 6.241 0.000 0.000) 6.241 1.596 ( 0.784 0.000 0.000) 0.784 1.671 ( 0.751 0.000 0.000) 0.751 1.686 ( 32.864 0.000 0.000) 32.864 1.737 ( 5.283 0.000 0.000) 5.283 1.779 ( 8.718 0.000 0.000) 8.718 1.878 ( 1.724 0.000 0.000) 1.724 1.965 ( -2.172 -0.000 0.000) 2.172 2.108 ( 8.735 0.000 0.000) 8.735 2.188 ( 1.863 0.000 0.000) 1.863 2.221 ( 0.748 0.000 0.000) 0.748 2.292 ( 8.446 0.000 0.000) 8.446 2.352 ( -0.635 -0.000 0.000) 0.635 2.363 ( 0.520 0.000 0.000) 0.520 2.535 ( 10.092 0.000 0.000) 10.092 2.627 ( 8.825 0.000 0.000) 8.825 2.644 ( -3.782 -0.000 0.000) 3.782 2.661 ( -1.657 -0.000 0.000) 1.657 2.661 ( 5.270 0.000 0.000) 5.270 3.089 ( -10.260 -0.000 0.000) 10.260 3.092 ( 9.147 0.000 0.000) 9.147 3.251 ( -8.011 -0.000 0.000) 8.011 3.368 ( -4.743 -0.000 0.000) 4.743 3.448 ( 24.760 0.000 0.000) 24.760 3.458 ( -7.455 -0.000 0.000) 7.455 3.493 ( 18.322 0.000 0.000) 18.322 3.534 ( 9.791 0.000 0.000) 9.791 3.768 ( 0.354 0.000 0.000) 0.354 3.897 ( 7.421 0.000 0.000) 7.421 3.910 ( 0.499 0.000 0.000) 0.499 4.013 ( 3.557 0.000 0.000) 3.557 4.117 ( 5.054 0.000 0.000) 5.054 4.322 ( -2.489 -0.000 0.000) 2.489 4.351 ( 4.728 0.000 0.000) 4.728 4.490 ( 1.040 0.000 0.000) 1.040 4.644 ( -2.788 -0.000 0.000) 2.788 4.712 ( 2.003 0.000 0.000) 2.003 4.907 ( -4.908 -0.000 0.000) 4.908 4.992 ( -1.950 -0.000 0.000) 1.950 5.240 ( 2.689 0.000 0.000) 2.689 5.438 ( 0.324 0.000 0.000) 0.324 5.555 ( -5.022 -0.000 0.000) 5.022 5.605 ( 11.209 0.000 0.000) 11.209 5.698 ( -3.734 -0.000 0.000) 3.734 5.946 ( 14.642 0.000 0.000) 14.642 6.081 ( 10.440 0.000 0.000) 10.440 6.137 ( 3.498 0.000 0.000) 3.498 6.362 ( 8.431 0.000 0.000) 8.431 6.443 ( 7.283 0.000 0.000) 7.283 6.888 ( -1.878 -0.000 0.000) 1.878 7.158 ( 1.924 0.000 0.000) 1.924 7.189 ( -11.209 -0.000 0.000) 11.209 7.693 ( -18.053 -0.000 0.000) 18.053 7.944 ( 0.536 0.000 0.000) 0.536 7.987 ( -0.666 -0.000 0.000) 0.666 8.197 ( 8.123 0.000 0.000) 8.123 8.259 ( -9.270 -0.000 0.000) 9.270 8.607 ( 6.324 0.000 0.000) 6.324 8.775 ( 4.452 0.000 0.000) 4.452 8.966 ( -5.267 -0.000 0.000) 5.267 9.133 ( 3.982 0.000 0.000) 3.982 9.193 ( -6.864 -0.000 0.000) 6.864 9.461 ( 0.706 0.000 0.000) 0.706 9.802 ( 3.863 0.000 0.000) 3.863 9.987 ( -2.586 -0.000 0.000) 2.586 10.096 ( 4.451 0.000 0.000) 4.451 10.365 ( 5.901 0.000 0.000) 5.901 10.433 ( 0.431 0.000 0.000) 0.431 10.606 ( 14.178 0.000 0.000) 14.178 11.122 ( 16.691 0.000 0.000) 16.691 11.143 ( -3.652 -0.000 0.000) 3.652 11.315 ( -4.887 -0.000 0.000) 4.887 11.374 ( -5.523 -0.000 0.000) 5.523 11.618 ( 12.524 0.000 0.000) 12.524 11.852 ( 5.396 0.000 0.000) 5.396 12.423 ( -9.615 -0.000 0.000) 9.615 12.701 ( 4.232 0.000 0.000) 4.232 12.915 ( -2.633 -0.000 0.000) 2.633 13.340 ( 2.360 0.000 0.000) 2.360 13.491 ( 19.368 0.000 0.000) 19.368 13.614 ( 6.811 0.000 0.000) 6.811 13.719 ( -0.705 -0.000 0.000) 0.705 14.470 ( -8.218 -0.000 0.000) 8.218 14.867 ( -0.694 -0.000 0.000) 0.694 15.178 ( 4.336 0.000 0.000) 4.336 15.182 ( 3.837 0.000 0.000) 3.837 15.408 ( -14.619 -0.000 0.000) 14.619 16.205 ( -4.005 -0.000 0.000) 4.005 16.348 ( -9.540 -0.000 0.000) 9.540 16.971 ( -1.321 -0.000 0.000) 1.321 17.019 ( -1.277 -0.000 0.000) 1.277 18.320 ( 3.065 0.000 0.000) 3.065 18.380 ( 3.770 0.000 0.000) 3.770 18.746 ( -5.916 -0.000 0.000) 5.916 18.790 ( -4.307 -0.000 0.000) 4.307 20.518 ( 27.924 0.000 0.000) 27.924 21.072 ( 13.224 0.000 0.000) 13.224 22.292 ( -8.120 -0.000 0.000) 8.120 22.507 ( -13.515 -0.000 0.000) 13.515 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 14.899 -1.870 0.000) 15.016 1.155 ( 14.631 -2.724 0.000) 14.882 1.591 ( 3.374 -0.410 0.000) 3.399 1.599 ( 0.348 2.058 0.000) 2.087 1.630 ( 4.374 0.361 0.000) 4.388 1.724 ( -1.508 0.223 0.000) 1.525 1.732 ( 4.767 -1.208 0.000) 4.917 1.852 ( 2.120 2.953 0.000) 3.636 1.920 ( -2.341 0.134 0.000) 2.344 1.933 ( 3.243 -4.690 0.000) 5.702 2.131 ( -6.357 -0.469 0.000) 6.374 2.197 ( 3.914 4.384 0.000) 5.877 2.226 ( 5.473 -3.767 0.000) 6.644 2.259 ( 4.383 -1.946 0.000) 4.795 2.334 ( -4.078 -0.546 0.000) 4.115 2.473 ( 15.897 -1.957 0.000) 16.017 2.479 ( 9.336 -2.353 0.000) 9.628 2.556 ( 5.179 5.671 0.000) 7.680 2.620 ( 4.853 9.932 0.000) 11.055 2.733 ( 1.371 -8.695 0.000) 8.802 2.742 ( 3.388 -1.403 0.000) 3.667 2.868 ( -10.196 3.068 0.000) 10.648 2.872 ( 7.070 -3.267 0.000) 7.789 3.108 ( -3.761 -0.694 0.000) 3.825 3.242 ( 3.913 -1.882 0.000) 4.342 3.251 ( -4.679 -4.710 0.000) 6.639 3.401 ( 0.643 1.941 0.000) 2.044 3.734 ( 6.340 3.158 0.000) 7.083 3.736 ( 7.290 0.907 0.000) 7.346 3.762 ( 5.513 -0.365 0.000) 5.525 3.776 ( 5.474 4.051 0.000) 6.810 3.908 ( -1.450 -2.923 0.000) 3.263 4.037 ( 5.233 4.406 0.000) 6.841 4.086 ( 8.211 1.354 0.000) 8.322 4.190 ( 3.849 -6.583 0.000) 7.626 4.376 ( -1.297 3.312 0.000) 3.557 4.512 ( -0.558 -3.634 0.000) 3.676 4.519 ( 20.751 2.216 0.000) 20.869 4.635 ( 5.141 1.729 0.000) 5.424 4.751 ( 1.570 1.179 0.000) 1.963 4.809 ( -4.523 0.595 0.000) 4.562 4.923 ( -2.533 2.916 0.000) 3.863 5.244 ( -2.727 0.289 0.000) 2.742 5.466 ( 2.560 -2.151 0.000) 3.344 5.468 ( -4.413 -0.198 0.000) 4.418 5.626 ( -5.545 -2.912 0.000) 6.263 5.810 ( 11.471 3.743 0.000) 12.066 6.157 ( 3.949 2.903 0.000) 4.901 6.259 ( 14.689 -1.061 0.000) 14.728 6.271 ( 8.689 0.172 0.000) 8.690 6.483 ( -4.726 -1.278 0.000) 4.896 6.546 ( 10.651 -0.355 0.000) 10.657 6.739 ( -14.183 -0.234 0.000) 14.185 7.028 ( -5.648 0.401 0.000) 5.662 7.209 ( 3.058 -0.295 0.000) 3.072 7.426 ( -9.579 -0.171 0.000) 9.581 7.950 ( 0.093 -0.912 0.000) 0.917 7.968 ( -0.642 1.509 0.000) 1.640 8.085 ( -7.929 0.646 0.000) 7.955 8.257 ( -1.385 0.526 0.000) 1.482 8.731 ( 7.073 0.935 0.000) 7.135 8.873 ( -5.884 -2.622 0.000) 6.441 8.940 ( 12.280 -0.242 0.000) 12.283 9.063 ( -6.828 -0.983 0.000) 6.898 9.179 ( 4.000 8.031 0.000) 8.972 9.446 ( -3.377 -3.305 0.000) 4.725 9.936 ( 8.816 -0.752 0.000) 8.848 9.945 ( 0.724 2.912 0.000) 3.001 10.122 ( -2.085 -1.799 0.000) 2.754 10.463 ( 3.027 -0.129 0.000) 3.030 10.487 ( 4.548 -3.059 0.000) 5.481 10.877 ( 13.494 -1.440 0.000) 13.570 11.101 ( -1.173 -0.667 0.000) 1.349 11.172 ( -5.688 5.316 0.000) 7.785 11.292 ( -8.886 -8.063 0.000) 11.998 11.445 ( 17.268 0.448 0.000) 17.273 11.829 ( 9.205 1.643 0.000) 9.351 11.966 ( 5.832 -0.157 0.000) 5.834 12.204 ( -11.088 2.090 0.000) 11.284 12.815 ( -5.159 10.525 0.000) 11.722 12.834 ( 8.847 -1.469 0.000) 8.968 13.149 ( -18.097 -9.157 0.000) 20.282 13.764 ( 9.218 -0.442 0.000) 9.229 13.894 ( 21.945 -0.945 0.000) 21.965 13.967 ( 18.659 -2.261 0.000) 18.796 14.311 ( -7.930 1.200 0.000) 8.020 14.839 ( -1.496 1.369 0.000) 2.028 15.096 ( -7.635 9.319 0.000) 12.047 15.209 ( -1.526 -0.538 0.000) 1.618 15.260 ( -4.048 -5.070 0.000) 6.488 16.122 ( -4.479 0.406 0.000) 4.497 16.178 ( -8.042 0.839 0.000) 8.086 16.948 ( -1.133 -0.334 0.000) 1.181 16.995 ( -1.194 0.252 0.000) 1.220 18.392 ( 4.612 0.038 0.000) 4.612 18.469 ( 5.316 -0.730 0.000) 5.366 18.643 ( -5.628 -1.086 0.000) 5.732 18.722 ( -5.168 -3.518 0.000) 6.251 21.027 ( 25.847 -0.503 0.000) 25.852 21.343 ( 16.099 0.994 0.000) 16.130 22.105 ( -12.024 -0.069 0.000) 12.024 22.229 ( -15.832 0.273 0.000) 15.834 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 5.485 -1.353 0.000) 5.650 1.367 ( 10.681 -0.863 0.000) 10.716 1.585 ( 0.662 2.930 0.000) 3.004 1.630 ( -0.602 1.899 0.000) 1.993 1.679 ( -1.012 0.541 0.000) 1.148 1.686 ( 1.863 0.754 0.000) 2.010 1.834 ( 3.947 -1.899 0.000) 4.380 1.857 ( -1.427 -1.259 0.000) 1.903 1.894 ( 0.480 0.013 0.000) 0.480 1.992 ( -1.808 -0.173 0.000) 1.817 2.061 ( -1.329 -7.245 0.000) 7.366 2.224 ( -4.401 -1.907 0.000) 4.796 2.230 ( 2.972 3.051 0.000) 4.259 2.312 ( 1.873 -3.996 0.000) 4.413 2.343 ( 3.316 -0.370 0.000) 3.336 2.504 ( 3.583 4.874 0.000) 6.050 2.539 ( -2.873 7.211 0.000) 7.762 2.636 ( -7.221 4.167 0.000) 8.337 2.658 ( 4.307 5.007 0.000) 6.605 2.709 ( -1.448 4.866 0.000) 5.077 2.807 ( -0.534 -7.184 0.000) 7.204 2.875 ( -0.542 4.111 0.000) 4.147 2.990 ( 15.805 -6.671 0.000) 17.155 3.179 ( 5.660 -4.709 0.000) 7.363 3.274 ( -1.471 -5.735 0.000) 5.920 3.388 ( 6.373 -15.381 0.000) 16.649 3.443 ( 6.091 2.396 0.000) 6.546 3.683 ( -3.026 5.634 0.000) 6.395 3.685 ( -5.252 3.783 0.000) 6.473 3.796 ( -0.223 2.141 0.000) 2.153 3.900 ( -2.261 -1.495 0.000) 2.710 3.984 ( 10.703 -1.803 0.000) 10.853 4.000 ( -1.975 5.547 0.000) 5.888 4.157 ( -1.861 -2.874 0.000) 3.424 4.251 ( -7.716 3.505 0.000) 8.475 4.366 ( 7.793 0.493 0.000) 7.808 4.503 ( -4.516 -4.495 0.000) 6.372 4.637 ( -6.032 8.170 0.000) 10.155 4.746 ( -3.316 -2.465 0.000) 4.132 4.762 ( 12.343 1.846 0.000) 12.481 4.882 ( 3.547 -3.678 0.000) 5.110 5.064 ( 23.982 2.541 0.000) 24.116 5.128 ( -9.197 0.726 0.000) 9.226 5.372 ( -6.656 1.808 0.000) 6.897 5.530 ( -8.046 -4.852 0.000) 9.396 5.569 ( 6.963 0.218 0.000) 6.966 5.966 ( 10.312 4.753 0.000) 11.355 6.208 ( 2.537 -2.323 0.000) 3.440 6.261 ( -17.469 2.490 0.000) 17.645 6.312 ( -6.709 -0.322 0.000) 6.717 6.540 ( 14.926 2.752 0.000) 15.178 6.544 ( -3.596 -3.790 0.000) 5.225 6.744 ( 9.987 -0.049 0.000) 9.987 6.925 ( -6.434 0.882 0.000) 6.494 7.270 ( 3.414 0.165 0.000) 3.418 7.312 ( -4.381 -0.809 0.000) 4.455 7.944 ( -0.278 1.828 0.000) 1.849 7.947 ( -2.122 0.884 0.000) 2.299 8.007 ( 0.773 -2.470 0.000) 2.588 8.177 ( -5.357 1.059 0.000) 5.461 8.785 ( -6.280 -3.304 0.000) 7.096 8.846 ( 6.665 2.728 0.000) 7.202 8.960 ( -5.604 -3.657 0.000) 6.691 9.157 ( 1.992 9.049 0.000) 9.266 9.189 ( 12.080 -1.068 0.000) 12.127 9.383 ( -6.459 -2.401 0.000) 6.891 9.965 ( 2.403 0.155 0.000) 2.408 10.015 ( -4.397 -0.055 0.000) 4.398 10.153 ( 6.288 -4.418 0.000) 7.685 10.460 ( -1.347 4.411 0.000) 4.612 10.662 ( 9.387 -7.046 0.000) 11.737 11.009 ( -7.481 0.985 0.000) 7.546 11.095 ( -0.288 -0.350 0.000) 0.453 11.138 ( 9.940 -3.373 0.000) 10.497 11.195 ( -5.129 -2.882 0.000) 5.883 11.661 ( 2.077 8.435 0.000) 8.687 11.898 ( 6.950 2.279 0.000) 7.314 12.032 ( 0.097 0.358 0.000) 0.371 12.096 ( -1.219 -6.172 0.000) 6.291 12.522 ( -13.812 11.514 0.000) 17.982 12.982 ( -9.279 -10.562 0.000) 14.059 13.044 ( 13.908 2.524 0.000) 14.135 13.944 ( 9.065 -1.127 0.000) 9.134 14.157 ( -7.242 1.364 0.000) 7.369 14.258 ( 12.932 -1.543 0.000) 13.024 14.277 ( 8.580 -2.551 0.000) 8.951 14.812 ( 1.779 3.315 0.000) 3.762 14.913 ( -3.764 5.640 0.000) 6.780 15.139 ( -6.358 -2.827 0.000) 6.958 15.207 ( -3.617 0.213 0.000) 3.623 16.048 ( -2.402 0.588 0.000) 2.473 16.050 ( -4.869 0.035 0.000) 4.869 16.939 ( -0.216 -0.510 0.000) 0.554 16.974 ( -0.475 0.657 0.000) 0.811 18.490 ( 6.136 0.512 0.000) 6.157 18.551 ( -5.296 -1.251 0.000) 5.442 18.587 ( 6.852 -0.259 0.000) 6.857 18.652 ( -4.928 -2.386 0.000) 5.475 21.474 ( 21.620 -0.431 0.000) 21.624 21.641 ( 16.463 0.769 0.000) 16.481 21.844 ( -16.110 0.192 0.000) 16.111 21.921 ( -17.179 -0.344 0.000) 17.183 ======================= Grid point 13 (9/75) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -1.310 1.202 0.000) 1.778 1.507 ( 4.520 5.614 0.000) 7.208 1.543 ( -4.494 2.280 0.000) 5.039 1.596 ( 3.380 0.363 0.000) 3.399 1.663 ( -2.659 -0.715 0.000) 2.753 1.684 ( -0.724 0.951 0.000) 1.195 1.845 ( 0.060 -1.701 0.000) 1.702 1.883 ( 0.710 -0.164 0.000) 0.729 1.911 ( -5.515 -1.361 0.000) 5.681 1.956 ( 4.095 -1.051 0.000) 4.228 2.143 ( -2.032 -3.197 0.000) 3.788 2.161 ( -0.382 -4.776 0.000) 4.792 2.249 ( 0.233 0.462 0.000) 0.517 2.362 ( -1.975 5.409 0.000) 5.758 2.398 ( -4.445 -1.132 0.000) 4.587 2.431 ( 4.562 -6.131 0.000) 7.642 2.491 ( -3.315 2.988 0.000) 4.463 2.565 ( 3.161 0.366 0.000) 3.182 2.580 ( -2.186 10.297 0.000) 10.526 2.662 ( 2.600 8.644 0.000) 9.026 2.853 ( 0.852 -4.202 0.000) 4.288 2.922 ( 4.887 0.633 0.000) 4.928 3.105 ( -3.251 -3.269 0.000) 4.610 3.281 ( 1.698 2.735 0.000) 3.219 3.363 ( -2.460 -7.974 0.000) 8.345 3.505 ( -4.513 3.828 0.000) 5.918 3.579 ( 4.556 -3.821 0.000) 5.946 3.584 ( 0.671 1.693 0.000) 1.821 3.665 ( 6.756 -6.023 0.000) 9.051 3.714 ( -5.543 4.536 0.000) 7.162 3.794 ( -8.816 1.749 0.000) 8.988 3.883 ( -5.866 2.971 0.000) 6.575 4.085 ( -3.617 -5.057 0.000) 6.218 4.127 ( -5.040 -2.437 0.000) 5.598 4.208 ( 4.089 -6.825 0.000) 7.956 4.333 ( -4.799 9.501 0.000) 10.644 4.421 ( -7.702 -4.575 0.000) 8.958 4.555 ( 2.549 0.850 0.000) 2.687 4.680 ( -8.784 -3.286 0.000) 9.378 4.900 ( 3.348 4.073 0.000) 5.272 4.905 ( -14.070 -1.321 0.000) 14.132 5.002 ( 7.126 -4.828 0.000) 8.607 5.126 ( -15.103 5.654 0.000) 16.127 5.437 ( 16.306 4.523 0.000) 16.921 5.453 ( -3.939 -5.179 0.000) 6.507 5.689 ( 7.089 3.056 0.000) 7.719 5.927 ( -14.567 1.766 0.000) 14.673 6.137 ( -12.706 -5.146 0.000) 13.708 6.171 ( 12.048 -1.930 0.000) 12.202 6.279 ( 3.723 -2.259 0.000) 4.355 6.518 ( -3.310 1.695 0.000) 3.719 6.745 ( 10.864 6.520 0.000) 12.671 6.759 ( -10.115 0.563 0.000) 10.131 6.903 ( 6.732 -0.019 0.000) 6.732 7.255 ( -2.403 -0.590 0.000) 2.475 7.337 ( 4.310 0.354 0.000) 4.325 7.914 ( -0.233 0.732 0.000) 0.768 7.942 ( 1.614 0.537 0.000) 1.701 8.074 ( -4.116 0.879 0.000) 4.208 8.088 ( 3.846 -4.093 0.000) 5.616 8.699 ( -6.045 -4.017 0.000) 7.258 8.901 ( -5.300 -5.739 0.000) 7.812 8.928 ( 5.013 4.100 0.000) 6.476 9.127 ( 1.161 5.034 0.000) 5.166 9.239 ( -8.828 1.555 0.000) 8.964 9.384 ( 7.471 -1.257 0.000) 7.576 9.889 ( -9.788 -3.793 0.000) 10.497 10.008 ( 1.245 -0.470 0.000) 1.330 10.314 ( 6.251 -3.825 0.000) 7.328 10.362 ( -3.391 6.570 0.000) 7.394 10.827 ( -10.413 0.878 0.000) 10.450 10.916 ( 9.943 -6.947 0.000) 12.129 11.092 ( -0.172 0.245 0.000) 0.300 11.160 ( -0.428 -2.157 0.000) 2.199 11.334 ( 5.766 -3.600 0.000) 6.797 11.457 ( -8.648 8.703 0.000) 12.269 11.924 ( -9.403 2.970 0.000) 9.861 12.028 ( 0.371 -1.041 0.000) 1.105 12.223 ( -11.242 1.408 0.000) 11.330 12.234 ( 12.271 -4.839 0.000) 13.190 12.935 ( -2.403 -3.038 0.000) 3.873 13.287 ( 15.743 7.262 0.000) 17.337 14.006 ( -7.641 2.153 0.000) 7.938 14.106 ( 7.011 -1.067 0.000) 7.091 14.243 ( -13.417 -2.692 0.000) 13.684 14.315 ( -7.385 -2.659 0.000) 7.849 14.802 ( -3.507 2.640 0.000) 4.389 14.860 ( 1.295 6.957 0.000) 7.076 15.152 ( 7.898 -3.277 0.000) 8.551 15.176 ( 0.661 -1.619 0.000) 1.749 16.015 ( 0.818 -1.175 0.000) 1.432 16.039 ( 1.656 -0.520 0.000) 1.736 16.950 ( 0.917 -0.546 0.000) 1.067 16.968 ( 0.548 0.990 0.000) 1.132 18.467 ( -4.654 -0.725 0.000) 4.710 18.580 ( -4.125 -0.656 0.000) 4.177 18.610 ( 7.690 1.666 0.000) 7.869 18.728 ( 8.768 1.287 0.000) 8.862 21.499 ( -20.495 0.951 0.000) 20.517 21.598 ( -18.374 -1.562 0.000) 18.441 21.837 ( 17.095 -0.171 0.000) 17.096 21.934 ( 15.285 0.267 0.000) 15.287 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -9.119 5.910 0.000) 10.867 1.437 ( -3.504 12.577 0.000) 13.056 1.487 ( -1.671 -1.808 0.000) 2.462 1.605 ( -4.017 -1.459 0.000) 4.274 1.626 ( -0.702 1.606 0.000) 1.753 1.706 ( 3.232 -0.310 0.000) 3.247 1.809 ( -4.680 1.939 0.000) 5.066 1.856 ( -2.917 1.812 0.000) 3.434 1.887 ( 0.916 -2.447 0.000) 2.613 2.020 ( 2.357 -0.105 0.000) 2.359 2.090 ( -3.237 -1.849 0.000) 3.728 2.172 ( -8.531 1.095 0.000) 8.601 2.208 ( -0.795 -3.834 0.000) 3.916 2.299 ( -0.023 0.427 0.000) 0.428 2.389 ( -0.416 -3.113 0.000) 3.141 2.428 ( -2.437 0.497 0.000) 2.487 2.469 ( 0.022 7.733 0.000) 7.733 2.534 ( -1.235 -6.828 0.000) 6.939 2.600 ( 0.928 1.745 0.000) 1.977 2.680 ( 2.776 4.235 0.000) 5.064 2.904 ( 3.041 -0.675 0.000) 3.115 2.941 ( -3.343 10.332 0.000) 10.859 3.090 ( -8.695 13.457 0.000) 16.021 3.123 ( 1.802 -7.053 0.000) 7.279 3.255 ( -8.822 -3.111 0.000) 9.354 3.366 ( -4.900 2.888 0.000) 5.688 3.504 ( -9.657 4.631 0.000) 10.710 3.588 ( -10.560 -3.682 0.000) 11.183 3.653 ( -1.460 -0.525 0.000) 1.551 3.688 ( -2.173 -3.671 0.000) 4.266 3.736 ( -7.254 1.428 0.000) 7.393 3.802 ( -0.396 -6.768 0.000) 6.779 3.971 ( -7.151 1.723 0.000) 7.356 4.110 ( 0.046 -2.628 0.000) 2.628 4.226 ( -15.911 -10.403 0.000) 19.010 4.274 ( 0.357 -1.751 0.000) 1.787 4.327 ( -5.936 -5.413 0.000) 8.033 4.480 ( -6.794 -2.454 0.000) 7.223 4.589 ( 1.162 1.137 0.000) 1.626 4.631 ( -13.637 -2.835 0.000) 13.928 4.895 ( 1.104 5.206 0.000) 5.322 4.930 ( -0.991 2.430 0.000) 2.624 5.150 ( 4.250 -3.773 0.000) 5.683 5.461 ( -0.233 -5.050 0.000) 5.056 5.590 ( 6.510 5.964 0.000) 8.829 5.673 ( -12.893 -0.235 0.000) 12.896 5.788 ( 6.698 4.729 0.000) 8.199 5.948 ( -12.721 -6.783 0.000) 14.416 6.247 ( -3.026 -1.900 0.000) 3.573 6.364 ( -9.709 4.358 0.000) 10.643 6.485 ( 9.103 -2.371 0.000) 9.407 6.568 ( -9.880 0.511 0.000) 9.893 6.836 ( 5.327 5.871 0.000) 7.927 7.012 ( 6.550 -0.018 0.000) 6.550 7.229 ( -0.467 0.735 0.000) 0.871 7.437 ( 7.189 0.283 0.000) 7.195 7.920 ( 1.090 0.184 0.000) 1.106 7.992 ( 1.675 0.328 0.000) 1.707 8.046 ( 3.635 -1.195 0.000) 3.827 8.186 ( 2.021 -4.061 0.000) 4.537 8.629 ( -5.369 -4.513 0.000) 7.014 8.850 ( -5.996 -7.362 0.000) 9.495 8.923 ( -6.652 0.213 0.000) 6.656 9.062 ( 0.324 5.636 0.000) 5.646 9.153 ( 2.225 3.689 0.000) 4.308 9.482 ( 1.915 -1.263 0.000) 2.294 9.731 ( -11.916 -7.629 0.000) 14.149 9.998 ( -1.290 2.320 0.000) 2.655 10.250 ( -3.730 4.519 0.000) 5.860 10.429 ( 2.137 -3.382 0.000) 4.001 10.629 ( -8.685 2.443 0.000) 9.022 10.977 ( -6.717 3.030 0.000) 7.368 11.114 ( 2.788 0.230 0.000) 2.797 11.203 ( 4.479 2.917 0.000) 5.345 11.324 ( -10.972 -4.778 0.000) 11.967 11.401 ( 8.091 -1.704 0.000) 8.268 11.766 ( -5.446 0.095 0.000) 5.447 11.977 ( -5.119 -0.527 0.000) 5.146 12.068 ( -5.982 -4.913 0.000) 7.741 12.527 ( 14.114 -3.012 0.000) 14.432 12.928 ( 1.271 3.049 0.000) 3.303 13.466 ( 8.910 9.268 0.000) 12.856 13.811 ( -13.619 2.146 0.000) 13.787 13.939 ( -15.855 0.561 0.000) 15.865 14.111 ( -9.187 2.126 0.000) 9.430 14.228 ( 2.190 -1.962 0.000) 2.941 14.723 ( -5.154 -8.877 0.000) 10.264 14.816 ( -1.220 2.354 0.000) 2.652 15.210 ( -0.080 -1.542 0.000) 1.544 15.376 ( 13.072 2.070 0.000) 13.235 16.091 ( 5.550 -1.148 0.000) 5.668 16.118 ( 5.353 -2.148 0.000) 5.768 16.977 ( 1.286 1.124 0.000) 1.708 16.978 ( 1.579 -0.501 0.000) 1.656 18.391 ( -3.815 -0.065 0.000) 3.816 18.510 ( -3.204 1.101 0.000) 3.388 18.746 ( 9.195 3.684 0.000) 9.905 18.892 ( 11.248 4.016 0.000) 11.944 21.069 ( -24.424 1.742 0.000) 24.486 21.265 ( -19.350 -3.059 0.000) 19.591 22.111 ( 12.459 0.279 0.000) 12.462 22.207 ( 13.857 -0.892 0.000) 13.886 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -10.482 9.988 0.000) 14.479 1.173 ( -10.785 17.499 0.000) 20.556 1.489 ( -0.548 -3.608 0.000) 3.650 1.535 ( -4.688 -0.343 0.000) 4.701 1.590 ( -1.449 2.832 0.000) 3.181 1.706 ( -3.728 1.824 0.000) 4.150 1.714 ( -3.392 1.319 0.000) 3.640 1.786 ( -1.872 1.842 0.000) 2.626 1.897 ( -3.283 -4.088 0.000) 5.243 1.912 ( -13.943 1.414 0.000) 14.015 2.057 ( -1.473 -0.279 0.000) 1.499 2.105 ( -0.498 1.765 0.000) 1.834 2.198 ( -2.880 -1.415 0.000) 3.209 2.232 ( -9.307 4.288 0.000) 10.248 2.330 ( -10.362 0.260 0.000) 10.365 2.353 ( -10.696 9.604 0.000) 14.375 2.359 ( -4.789 2.238 0.000) 5.286 2.457 ( -4.063 2.827 0.000) 4.950 2.584 ( 8.689 4.205 0.000) 9.653 2.605 ( -3.349 -2.279 0.000) 4.051 2.839 ( 2.776 -0.386 0.000) 2.803 2.958 ( 0.246 2.999 0.000) 3.009 2.969 ( -2.940 5.098 0.000) 5.885 3.126 ( -2.599 -0.643 0.000) 2.677 3.228 ( -7.552 3.481 0.000) 8.315 3.275 ( 1.806 -8.954 0.000) 9.134 3.356 ( -18.305 -6.310 0.000) 19.362 3.366 ( -0.192 -2.095 0.000) 2.104 3.430 ( -13.292 -2.874 0.000) 13.600 3.496 ( -19.718 1.102 0.000) 19.749 3.738 ( 2.275 0.258 0.000) 2.289 3.745 ( -7.035 -2.700 0.000) 7.535 3.886 ( -3.998 -2.879 0.000) 4.927 3.979 ( -13.582 1.748 0.000) 13.694 4.054 ( -2.290 -5.655 0.000) 6.101 4.293 ( -1.604 -3.317 0.000) 3.685 4.313 ( -0.597 -6.122 0.000) 6.151 4.545 ( -1.820 -7.254 0.000) 7.478 4.576 ( 7.814 -6.045 0.000) 9.879 4.576 ( -0.894 2.284 0.000) 2.453 4.880 ( 1.625 3.062 0.000) 3.466 4.967 ( 5.577 0.865 0.000) 5.644 5.206 ( -0.866 -1.794 0.000) 1.992 5.440 ( -12.894 -4.082 0.000) 13.525 5.507 ( 0.079 -2.589 0.000) 2.590 5.645 ( 5.207 5.054 0.000) 7.256 5.775 ( -12.528 -7.798 0.000) 14.757 5.849 ( 4.886 6.230 0.000) 7.918 6.146 ( -8.563 3.800 0.000) 9.369 6.151 ( -6.452 2.587 0.000) 6.951 6.374 ( -10.350 0.620 0.000) 10.369 6.485 ( -7.645 1.054 0.000) 7.717 6.872 ( 0.313 0.254 0.000) 0.403 7.200 ( 13.081 0.293 0.000) 13.085 7.218 ( 0.628 2.818 0.000) 2.887 7.625 ( 12.104 -3.063 0.000) 12.486 7.944 ( 1.201 -0.383 0.000) 1.261 7.989 ( -0.422 1.045 0.000) 1.127 8.186 ( -5.345 -1.439 0.000) 5.536 8.204 ( 8.992 -2.225 0.000) 9.263 8.570 ( -4.285 -2.726 0.000) 5.079 8.771 ( -5.833 -0.425 0.000) 5.848 8.812 ( -5.474 -10.873 0.000) 12.173 9.081 ( 2.602 4.516 0.000) 5.212 9.173 ( 1.995 0.232 0.000) 2.008 9.480 ( -2.689 -0.725 0.000) 2.785 9.587 ( -11.321 -10.512 0.000) 15.448 9.953 ( 0.540 5.620 0.000) 5.646 10.125 ( -7.544 1.141 0.000) 7.630 10.414 ( -6.556 -1.850 0.000) 6.812 10.490 ( -3.502 2.835 0.000) 4.505 10.839 ( -0.917 5.745 0.000) 5.818 11.056 ( -14.048 0.099 0.000) 14.049 11.157 ( 1.298 -1.522 0.000) 2.000 11.315 ( 6.123 2.749 0.000) 6.711 11.611 ( -10.890 0.089 0.000) 10.890 11.640 ( 13.784 -1.613 0.000) 13.878 11.881 ( -4.026 1.051 0.000) 4.161 12.120 ( 2.864 -10.220 0.000) 10.614 12.779 ( 10.813 -0.975 0.000) 10.857 12.923 ( 2.609 7.278 0.000) 7.731 13.393 ( -9.139 5.081 0.000) 10.456 13.451 ( -20.511 -0.694 0.000) 20.522 13.727 ( -6.872 4.327 0.000) 8.121 13.987 ( 0.379 10.534 0.000) 10.541 14.301 ( 2.086 -9.659 0.000) 9.882 14.767 ( -0.653 -12.026 0.000) 12.044 14.787 ( -1.994 -2.472 0.000) 3.176 15.186 ( -2.939 -0.319 0.000) 2.957 15.586 ( 12.639 4.116 0.000) 13.293 16.206 ( 5.552 0.004 0.000) 5.552 16.259 ( 6.887 -3.508 0.000) 7.729 16.994 ( 1.390 1.107 0.000) 1.777 17.012 ( 1.495 -0.383 0.000) 1.544 18.327 ( -2.801 0.444 0.000) 2.836 18.443 ( -2.327 2.636 0.000) 3.516 18.886 ( 10.493 6.860 0.000) 12.537 19.082 ( 14.909 8.279 0.000) 17.053 20.569 ( -26.884 2.608 0.000) 27.010 20.937 ( -19.585 -5.648 0.000) 20.383 22.299 ( 8.179 0.461 0.000) 8.192 22.461 ( 11.750 -2.369 0.000) 11.987 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -8.236 17.824 0.000) 19.635 0.773 ( -15.664 18.712 0.000) 24.403 1.375 ( -20.491 7.820 0.000) 21.933 1.426 ( -5.459 0.431 0.000) 5.476 1.486 ( -19.304 29.656 0.000) 35.385 1.546 ( 2.961 -4.049 0.000) 5.016 1.668 ( -2.557 1.203 0.000) 2.826 1.668 ( -0.146 -0.995 0.000) 1.005 1.690 ( -2.797 2.508 0.000) 3.757 1.824 ( -8.414 -5.445 0.000) 10.022 1.833 ( 0.741 -0.009 0.000) 0.741 2.036 ( -0.267 1.228 0.000) 1.257 2.119 ( -5.311 0.238 0.000) 5.316 2.120 ( -14.565 -4.581 0.000) 15.268 2.180 ( -11.485 -8.584 0.000) 14.338 2.253 ( -2.169 5.296 0.000) 5.723 2.305 ( 5.569 1.906 0.000) 5.886 2.377 ( -2.467 2.915 0.000) 3.819 2.520 ( -4.825 1.042 0.000) 4.936 2.738 ( 0.413 0.600 0.000) 0.728 2.750 ( -5.622 1.978 0.000) 5.960 2.812 ( -4.110 12.795 0.000) 13.439 2.946 ( -0.068 -1.441 0.000) 1.443 2.974 ( -17.092 -4.719 0.000) 17.731 3.127 ( -3.521 1.708 0.000) 3.914 3.173 ( -1.710 -8.135 0.000) 8.313 3.240 ( -5.669 1.403 0.000) 5.840 3.269 ( -1.845 -8.056 0.000) 8.264 3.390 ( 1.291 -6.045 0.000) 6.181 3.518 ( 5.565 -9.808 0.000) 11.277 3.586 ( -12.124 0.120 0.000) 12.124 3.749 ( -8.114 1.159 0.000) 8.196 3.791 ( 3.519 -0.353 0.000) 3.536 3.844 ( -3.477 -3.513 0.000) 4.943 4.106 ( 2.751 -2.344 0.000) 3.614 4.252 ( -4.184 0.073 0.000) 4.185 4.371 ( -0.357 -7.233 0.000) 7.242 4.527 ( -1.276 3.663 0.000) 3.879 4.535 ( -3.905 -7.403 0.000) 8.370 4.848 ( 14.989 -1.347 0.000) 15.049 4.915 ( 2.294 -1.847 0.000) 2.946 5.102 ( 10.146 2.366 0.000) 10.418 5.166 ( -3.250 -0.190 0.000) 3.255 5.268 ( -8.555 -4.615 0.000) 9.720 5.491 ( -3.612 -1.264 0.000) 3.826 5.613 ( -12.176 -9.110 0.000) 15.207 5.702 ( 4.600 4.253 0.000) 6.264 5.870 ( 3.132 6.931 0.000) 7.605 5.992 ( -6.100 5.475 0.000) 8.197 6.001 ( -5.437 3.128 0.000) 6.273 6.207 ( -6.457 -2.153 0.000) 6.807 6.302 ( -8.569 1.440 0.000) 8.690 6.846 ( -2.673 -1.382 0.000) 3.009 7.201 ( 0.699 4.486 0.000) 4.540 7.430 ( 11.234 1.637 0.000) 11.352 7.880 ( 5.197 -3.899 0.000) 6.497 7.961 ( -0.765 -0.993 0.000) 1.253 7.987 ( 5.041 -3.018 0.000) 5.875 8.052 ( -6.022 1.571 0.000) 6.223 8.338 ( 2.242 -1.290 0.000) 2.587 8.512 ( -3.116 -0.168 0.000) 3.121 8.735 ( 0.110 -1.092 0.000) 1.098 8.867 ( 0.816 -13.973 0.000) 13.997 9.011 ( -8.569 -1.139 0.000) 8.644 9.240 ( 2.922 -3.382 0.000) 4.469 9.421 ( -3.116 -0.094 0.000) 3.118 9.484 ( -7.511 -6.147 0.000) 9.706 9.922 ( 1.502 7.535 0.000) 7.683 9.968 ( -8.005 -0.363 0.000) 8.014 10.268 ( -7.960 -0.582 0.000) 7.981 10.451 ( 0.822 1.069 0.000) 1.348 10.822 ( -10.585 -0.719 0.000) 10.609 10.855 ( 6.402 4.979 0.000) 8.110 11.172 ( -1.893 -2.586 0.000) 3.205 11.363 ( -0.059 4.209 0.000) 4.209 11.435 ( -3.026 4.988 0.000) 5.835 11.804 ( -0.443 1.257 0.000) 1.333 11.966 ( 19.667 1.298 0.000) 19.710 12.273 ( 2.432 -12.771 0.000) 13.001 12.898 ( 2.243 10.071 0.000) 10.318 12.944 ( 7.338 1.337 0.000) 7.459 13.148 ( -12.534 -3.216 0.000) 12.940 13.175 ( -6.436 5.524 0.000) 8.481 13.587 ( -3.964 4.534 0.000) 6.022 13.837 ( -12.684 2.013 0.000) 12.842 14.473 ( 6.153 -9.303 0.000) 11.154 14.783 ( -1.711 -5.159 0.000) 5.435 14.851 ( 0.194 -7.402 0.000) 7.405 15.123 ( -2.900 1.340 0.000) 3.194 15.788 ( 11.991 2.911 0.000) 12.339 16.281 ( 2.898 1.086 0.000) 3.095 16.422 ( 6.262 -5.835 0.000) 8.559 17.007 ( 0.932 1.026 0.000) 1.386 17.037 ( 0.858 -0.221 0.000) 0.886 18.282 ( -1.529 0.585 0.000) 1.637 18.382 ( -1.359 3.521 0.000) 3.774 19.013 ( 10.680 11.682 0.000) 15.828 19.337 ( 24.200 13.995 0.000) 27.955 20.061 ( -23.539 2.337 0.000) 23.654 20.623 ( -22.374 -10.317 0.000) 24.638 22.410 ( 4.104 0.350 0.000) 4.119 22.669 ( 7.489 -3.415 0.000) 8.232 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 0.000 21.751 0.000) 21.751 0.438 ( 0.000 25.436 0.000) 25.436 0.854 ( 0.000 50.794 0.000) 50.794 1.110 ( 0.000 2.409 0.000) 2.409 1.367 ( 0.000 0.277 0.000) 0.277 1.636 ( -0.000 -2.400 0.000) 2.400 1.652 ( -0.000 -3.659 0.000) 3.659 1.706 ( -0.000 -3.379 0.000) 3.379 1.727 ( -0.000 -3.473 0.000) 3.473 1.743 ( -0.000 -0.220 0.000) 0.220 1.853 ( -0.000 -2.177 0.000) 2.177 1.941 ( -0.000 -2.696 0.000) 2.696 1.976 ( -0.000 -0.665 0.000) 0.665 2.041 ( 0.000 2.435 0.000) 2.435 2.042 ( -0.000 -2.049 0.000) 2.049 2.184 ( 0.000 5.708 0.000) 5.708 2.328 ( 0.000 8.019 0.000) 8.019 2.328 ( 0.000 1.947 0.000) 1.947 2.454 ( 0.000 2.810 0.000) 2.810 2.581 ( -0.000 -3.482 0.000) 3.482 2.678 ( 0.000 9.680 0.000) 9.680 2.744 ( 0.000 2.663 0.000) 2.663 2.816 ( 0.000 1.969 0.000) 1.969 3.007 ( -0.000 -1.866 0.000) 1.866 3.091 ( 0.000 0.341 0.000) 0.341 3.180 ( 0.000 1.735 0.000) 1.735 3.203 ( -0.000 -6.944 0.000) 6.944 3.345 ( -0.000 -8.138 0.000) 8.138 3.401 ( 0.000 3.014 0.000) 3.014 3.454 ( -0.000 -5.184 0.000) 5.184 3.657 ( 0.000 1.859 0.000) 1.859 3.670 ( -0.000 -9.565 0.000) 9.565 3.810 ( -0.000 -0.448 0.000) 0.448 3.858 ( -0.000 -1.492 0.000) 1.492 4.156 ( -0.000 -0.826 0.000) 0.826 4.176 ( 0.000 3.417 0.000) 3.417 4.406 ( -0.000 -6.073 0.000) 6.073 4.485 ( 0.000 3.053 0.000) 3.053 4.548 ( -0.000 -4.289 0.000) 4.289 4.969 ( -0.000 -4.130 0.000) 4.130 5.021 ( 0.000 1.127 0.000) 1.127 5.130 ( -0.000 -0.396 0.000) 0.396 5.223 ( -0.000 -4.739 0.000) 4.739 5.337 ( 0.000 0.123 0.000) 0.123 5.457 ( -0.000 -7.887 0.000) 7.887 5.465 ( -0.000 -2.863 0.000) 2.863 5.719 ( 0.000 3.975 0.000) 3.975 5.848 ( 0.000 6.751 0.000) 6.751 5.862 ( 0.000 6.733 0.000) 6.733 5.873 ( 0.000 4.894 0.000) 4.894 6.190 ( -0.000 -3.814 0.000) 3.814 6.205 ( 0.000 0.716 0.000) 0.716 6.828 ( -0.000 -1.442 0.000) 1.442 7.170 ( 0.000 4.316 0.000) 4.316 7.537 ( 0.000 1.888 0.000) 1.888 7.874 ( 0.000 0.083 0.000) 0.083 7.927 ( 0.000 0.054 0.000) 0.054 8.009 ( 0.000 0.743 0.000) 0.743 8.193 ( -0.000 -9.809 0.000) 9.809 8.317 ( 0.000 1.649 0.000) 1.649 8.478 ( 0.000 0.048 0.000) 0.048 8.760 ( -0.000 -0.482 0.000) 0.482 8.845 ( 0.000 0.237 0.000) 0.237 9.010 ( -0.000 -12.691 0.000) 12.691 9.303 ( -0.000 -3.762 0.000) 3.762 9.389 ( 0.000 0.048 0.000) 0.048 9.410 ( 0.000 2.062 0.000) 2.062 9.874 ( 0.000 8.096 0.000) 8.096 9.880 ( -0.000 -0.350 0.000) 0.350 10.189 ( -0.000 -0.278 0.000) 0.278 10.475 ( -0.000 -1.405 0.000) 1.405 10.710 ( 0.000 0.144 0.000) 0.144 10.947 ( -0.000 -0.972 0.000) 0.972 11.138 ( 0.000 0.026 0.000) 0.026 11.314 ( -0.000 -0.229 0.000) 0.229 11.367 ( 0.000 10.554 0.000) 10.554 11.787 ( 0.000 1.386 0.000) 1.386 12.365 ( -0.000 -16.358 0.000) 16.358 12.406 ( -0.000 -13.509 0.000) 13.509 12.831 ( 0.000 11.461 0.000) 11.461 13.020 ( -0.000 -3.859 0.000) 3.859 13.062 ( -0.000 -3.918 0.000) 3.918 13.151 ( 0.000 15.902 0.000) 15.902 13.485 ( 0.000 3.618 0.000) 3.618 13.515 ( 0.000 3.708 0.000) 3.708 14.613 ( -0.000 -7.662 0.000) 7.662 14.813 ( -0.000 -5.809 0.000) 5.809 14.884 ( -0.000 -1.593 0.000) 1.593 15.075 ( 0.000 2.430 0.000) 2.430 15.929 ( -0.000 -0.655 0.000) 0.655 16.297 ( 0.000 1.251 0.000) 1.251 16.556 ( -0.000 -8.089 0.000) 8.089 17.009 ( 0.000 0.903 0.000) 0.903 17.046 ( -0.000 -0.099 0.000) 0.099 18.264 ( 0.000 0.303 0.000) 0.303 18.340 ( 0.000 3.284 0.000) 3.284 19.022 ( 0.000 14.451 0.000) 14.451 19.793 ( 0.000 0.062 0.000) 0.062 19.794 ( 0.000 0.082 0.000) 0.082 20.231 ( -0.000 -1.955 0.000) 1.955 22.446 ( 0.000 0.198 0.000) 0.198 22.771 ( -0.000 -3.036 0.000) 3.036 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 7.011 0.000 0.000) 7.011 1.359 ( 11.829 0.000 0.000) 11.829 1.613 ( 0.601 0.000 0.000) 0.601 1.654 ( 2.796 0.000 0.000) 2.796 1.682 ( -3.100 -0.000 0.000) 3.100 1.693 ( 1.952 0.000 0.000) 1.952 1.817 ( 4.268 0.000 0.000) 4.268 1.843 ( -2.533 -0.000 0.000) 2.533 1.894 ( 0.233 0.000 0.000) 0.233 1.979 ( -8.127 -0.000 0.000) 8.127 2.005 ( 4.676 0.000 0.000) 4.676 2.204 ( -3.449 -0.000 0.000) 3.449 2.266 ( 1.944 0.000 0.000) 1.944 2.279 ( 0.747 0.000 0.000) 0.747 2.328 ( 2.197 0.000 0.000) 2.197 2.580 ( 2.902 0.000 0.000) 2.902 2.633 ( 8.009 0.000 0.000) 8.009 2.653 ( -6.049 -0.000 0.000) 6.049 2.681 ( -7.699 -0.000 0.000) 7.699 2.705 ( -0.727 -0.000 0.000) 0.727 2.779 ( -0.083 -0.000 0.000) 0.083 2.938 ( 19.716 0.000 0.000) 19.716 2.955 ( 3.902 0.000 0.000) 3.902 3.154 ( 7.546 0.000 0.000) 7.546 3.176 ( 1.523 0.000 0.000) 1.523 3.223 ( -4.381 -0.000 0.000) 4.381 3.467 ( 5.299 0.000 0.000) 5.299 3.717 ( -5.890 -0.000 0.000) 5.890 3.771 ( -1.014 -0.000 0.000) 1.014 3.817 ( 1.410 0.000 0.000) 1.410 3.830 ( -3.852 -0.000 0.000) 3.852 3.985 ( 10.476 0.000 0.000) 10.476 4.086 ( -3.513 -0.000 0.000) 3.513 4.086 ( -3.097 0.000 0.000) 3.097 4.319 ( -7.334 -0.000 0.000) 7.334 4.369 ( 11.808 0.000 0.000) 11.808 4.432 ( -6.188 -0.000 0.000) 6.188 4.711 ( -7.847 -0.000 0.000) 7.847 4.728 ( -4.181 -0.000 0.000) 4.181 4.787 ( 10.297 0.000 0.000) 10.297 4.839 ( 5.657 0.000 0.000) 5.657 5.090 ( 23.291 0.000 0.000) 23.291 5.129 ( -9.732 -0.000 0.000) 9.732 5.404 ( -2.624 -0.000 0.000) 2.624 5.476 ( -10.133 -0.000 0.000) 10.133 5.565 ( 8.232 0.000 0.000) 8.232 6.027 ( 10.269 0.000 0.000) 10.269 6.170 ( -0.711 -0.000 0.000) 0.711 6.292 ( -14.326 -0.000 0.000) 14.326 6.299 ( -12.931 -0.000 0.000) 12.931 6.512 ( -0.197 -0.000 0.000) 0.197 6.568 ( 16.449 0.000 0.000) 16.449 6.744 ( 10.164 0.000 0.000) 10.164 6.934 ( -6.493 -0.000 0.000) 6.493 7.271 ( 3.500 0.000 0.000) 3.500 7.304 ( -4.373 -0.000 0.000) 4.373 7.962 ( -0.697 -0.000 0.000) 0.697 7.963 ( 1.777 0.000 0.000) 1.777 7.977 ( -3.698 -0.000 0.000) 3.698 8.185 ( -5.616 -0.000 0.000) 5.616 8.755 ( -5.601 -0.000 0.000) 5.601 8.868 ( 6.986 0.000 0.000) 6.986 8.928 ( -6.550 -0.000 0.000) 6.550 9.180 ( 12.179 0.000 0.000) 12.179 9.270 ( 1.361 0.000 0.000) 1.361 9.332 ( -6.488 -0.000 0.000) 6.488 9.964 ( 1.300 0.000 0.000) 1.300 10.015 ( -7.853 -0.000 0.000) 7.853 10.114 ( 9.090 0.000 0.000) 9.090 10.502 ( -0.021 -0.000 0.000) 0.021 10.596 ( 9.302 0.000 0.000) 9.302 11.042 ( -10.892 -0.000 0.000) 10.892 11.065 ( 2.723 0.000 0.000) 2.723 11.094 ( 0.232 0.000 0.000) 0.232 11.183 ( 5.470 0.000 0.000) 5.470 11.732 ( 8.144 0.000 0.000) 8.144 11.964 ( 3.853 0.000 0.000) 3.853 11.998 ( -5.341 -0.000 0.000) 5.341 12.036 ( 0.906 0.000 0.000) 0.906 12.668 ( -24.296 -0.000 0.000) 24.296 12.847 ( 0.566 0.000 0.000) 0.566 13.067 ( 15.690 0.000 0.000) 15.690 13.934 ( 9.297 0.000 0.000) 9.297 14.170 ( -7.482 -0.000 0.000) 7.482 14.242 ( 11.980 0.000 0.000) 11.980 14.254 ( 8.774 0.000 0.000) 8.774 14.850 ( 4.675 0.000 0.000) 4.675 14.966 ( -4.169 -0.000 0.000) 4.169 15.109 ( -8.888 -0.000 0.000) 8.888 15.207 ( -3.587 -0.000 0.000) 3.587 16.050 ( -5.544 -0.000 0.000) 5.544 16.053 ( -2.761 -0.000 0.000) 2.761 16.934 ( -0.136 -0.000 0.000) 0.136 16.980 ( -0.393 -0.000 0.000) 0.393 18.494 ( 6.421 0.000 0.000) 6.421 18.541 ( -4.947 -0.000 0.000) 4.947 18.584 ( 7.288 0.000 0.000) 7.288 18.630 ( -3.753 -0.000 0.000) 3.753 21.470 ( 21.801 0.000 0.000) 21.801 21.648 ( 16.138 0.000 0.000) 16.138 21.846 ( -15.831 -0.000 0.000) 15.831 21.918 ( -17.638 -0.000 0.000) 17.638 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 1.536 1.142 0.000) 1.914 1.557 ( 9.517 0.691 0.000) 9.542 1.597 ( -4.583 3.220 0.000) 5.601 1.627 ( 1.906 2.233 0.000) 2.936 1.650 ( -4.756 -0.643 0.000) 4.799 1.697 ( -0.877 0.483 0.000) 1.001 1.809 ( -1.306 -2.590 0.000) 2.900 1.860 ( -3.884 -2.586 0.000) 4.666 1.875 ( 1.475 -0.458 0.000) 1.544 1.947 ( 4.849 -0.187 0.000) 4.853 2.105 ( 4.519 -0.690 0.000) 4.572 2.126 ( -4.635 -0.936 0.000) 4.729 2.271 ( -1.128 2.209 0.000) 2.480 2.326 ( -2.558 -3.412 0.000) 4.264 2.357 ( 4.974 -2.348 0.000) 5.500 2.480 ( -8.599 4.063 0.000) 9.510 2.536 ( -4.718 1.767 0.000) 5.037 2.622 ( 2.250 6.025 0.000) 6.431 2.715 ( -3.003 4.467 0.000) 5.383 2.744 ( 2.066 -7.855 0.000) 8.122 2.775 ( 6.022 2.665 0.000) 6.585 3.005 ( 6.369 10.485 0.000) 12.268 3.097 ( -4.830 1.649 0.000) 5.103 3.224 ( 2.614 -6.759 0.000) 7.247 3.249 ( 4.270 -3.819 0.000) 5.729 3.352 ( 3.010 -14.714 0.000) 15.018 3.554 ( 1.748 1.156 0.000) 2.095 3.614 ( -2.108 1.122 0.000) 2.388 3.702 ( -0.433 4.782 0.000) 4.801 3.790 ( -3.935 3.832 0.000) 5.493 3.824 ( 0.602 -2.100 0.000) 2.184 3.924 ( -8.999 1.777 0.000) 9.173 4.051 ( -4.835 -4.679 0.000) 6.728 4.093 ( -10.209 7.278 0.000) 12.538 4.135 ( 2.079 -2.084 0.000) 2.944 4.304 ( -10.971 -8.922 0.000) 14.141 4.481 ( -6.919 6.916 0.000) 9.782 4.558 ( 2.584 -1.108 0.000) 2.811 4.638 ( -7.338 -1.450 0.000) 7.480 4.893 ( -15.265 -0.275 0.000) 15.267 4.916 ( 2.505 -1.589 0.000) 2.966 4.967 ( 8.935 0.506 0.000) 8.950 5.204 ( -15.724 3.096 0.000) 16.026 5.383 ( -1.949 -2.745 0.000) 3.367 5.508 ( 19.712 3.095 0.000) 19.954 5.710 ( 6.140 -0.115 0.000) 6.141 5.967 ( -14.922 2.717 0.000) 15.167 6.055 ( -14.610 -4.164 0.000) 15.192 6.158 ( 2.924 0.223 0.000) 2.932 6.240 ( 9.674 -1.893 0.000) 9.857 6.547 ( 0.211 1.212 0.000) 1.231 6.764 ( -11.212 0.067 0.000) 11.212 6.827 ( 11.695 2.856 0.000) 12.039 6.906 ( 6.984 0.186 0.000) 6.987 7.248 ( -1.825 -0.266 0.000) 1.844 7.340 ( 4.235 0.015 0.000) 4.235 7.938 ( 0.308 1.877 0.000) 1.902 7.952 ( 0.305 0.451 0.000) 0.544 8.022 ( 2.773 -3.280 0.000) 4.296 8.079 ( -5.070 -0.049 0.000) 5.070 8.658 ( -5.320 -0.962 0.000) 5.406 8.828 ( -5.505 -2.657 0.000) 6.112 8.977 ( 4.448 1.602 0.000) 4.728 9.191 ( -4.959 2.188 0.000) 5.421 9.261 ( -3.242 0.878 0.000) 3.359 9.366 ( 7.241 -0.662 0.000) 7.271 9.839 ( -11.553 -1.749 0.000) 11.684 10.002 ( 2.202 -0.254 0.000) 2.216 10.259 ( 5.621 -2.201 0.000) 6.037 10.447 ( -4.255 3.016 0.000) 5.216 10.825 ( 12.631 -3.093 0.000) 13.004 10.836 ( -10.557 0.442 0.000) 10.567 11.070 ( -0.937 -4.736 0.000) 4.827 11.100 ( 0.579 0.399 0.000) 0.703 11.341 ( 7.967 1.248 0.000) 8.065 11.573 ( -13.279 4.364 0.000) 13.977 11.974 ( -7.170 2.171 0.000) 7.491 11.996 ( -1.086 -1.922 0.000) 2.208 12.188 ( 16.353 -1.054 0.000) 16.387 12.232 ( -19.844 -0.008 0.000) 19.844 12.898 ( 3.196 -1.254 0.000) 3.433 13.376 ( 17.847 3.029 0.000) 18.102 14.035 ( -6.678 1.105 0.000) 6.769 14.097 ( 7.617 -0.142 0.000) 7.619 14.203 ( -13.057 -1.556 0.000) 13.150 14.263 ( -8.323 -2.370 0.000) 8.654 14.870 ( -11.473 3.811 0.000) 12.089 14.985 ( 3.690 6.830 0.000) 7.763 15.093 ( 14.906 -2.993 0.000) 15.204 15.125 ( -3.756 -4.179 0.000) 5.619 15.999 ( 0.473 -0.531 0.000) 0.711 16.032 ( 0.677 -0.250 0.000) 0.722 16.944 ( 1.026 -0.171 0.000) 1.040 16.981 ( 0.579 0.418 0.000) 0.714 18.457 ( -4.195 -0.332 0.000) 4.208 18.571 ( -2.939 -0.369 0.000) 2.962 18.630 ( 8.439 0.674 0.000) 8.466 18.740 ( 9.639 0.283 0.000) 9.643 21.513 ( -19.790 0.633 0.000) 19.800 21.576 ( -19.355 -0.893 0.000) 19.376 21.835 ( 17.341 -0.062 0.000) 17.341 21.936 ( 14.750 0.084 0.000) 14.750 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -6.272 5.593 0.000) 8.404 1.488 ( -2.634 1.624 0.000) 3.095 1.569 ( -4.445 -2.838 0.000) 5.274 1.627 ( 1.320 8.420 0.000) 8.523 1.653 ( 0.292 1.726 0.000) 1.751 1.707 ( 3.994 0.805 0.000) 4.075 1.802 ( -3.429 -3.553 0.000) 4.938 1.852 ( 0.120 -0.443 0.000) 0.460 1.876 ( -1.351 0.474 0.000) 1.431 2.019 ( 1.255 0.056 0.000) 1.256 2.064 ( -2.569 -1.278 0.000) 2.869 2.168 ( 1.486 -0.950 0.000) 1.764 2.180 ( -7.575 0.756 0.000) 7.613 2.312 ( -3.149 -3.157 0.000) 4.459 2.334 ( -1.943 0.521 0.000) 2.012 2.439 ( 0.039 -1.587 0.000) 1.588 2.468 ( -0.578 0.821 0.000) 1.004 2.598 ( -3.415 7.013 0.000) 7.800 2.630 ( 2.523 2.186 0.000) 3.338 2.801 ( 2.224 8.367 0.000) 8.657 2.865 ( 4.093 -4.478 0.000) 6.067 3.023 ( -2.079 -3.332 0.000) 3.927 3.053 ( 5.458 6.103 0.000) 8.188 3.171 ( -10.473 -6.270 0.000) 12.206 3.273 ( -4.374 3.576 0.000) 5.650 3.399 ( -7.646 -3.121 0.000) 8.259 3.525 ( -11.652 1.474 0.000) 11.745 3.568 ( -12.159 4.055 0.000) 12.817 3.622 ( -1.734 -4.905 0.000) 5.203 3.661 ( 2.548 0.514 0.000) 2.600 3.767 ( -7.457 2.369 0.000) 7.824 3.780 ( -1.309 6.102 0.000) 6.241 3.958 ( -9.569 -3.959 0.000) 10.355 4.041 ( 5.063 -4.836 0.000) 7.002 4.054 ( -14.721 -7.946 0.000) 16.729 4.212 ( -8.599 -9.271 0.000) 12.645 4.286 ( -5.169 2.835 0.000) 5.895 4.463 ( -8.930 -0.477 0.000) 8.943 4.598 ( -15.591 -1.197 0.000) 15.637 4.621 ( 2.723 2.554 0.000) 3.733 4.949 ( 0.690 0.687 0.000) 0.973 4.964 ( -5.171 1.500 0.000) 5.384 5.110 ( 6.157 -0.642 0.000) 6.191 5.383 ( -1.045 -3.502 0.000) 3.654 5.692 ( 5.287 6.046 0.000) 8.031 5.692 ( -13.024 2.312 0.000) 13.228 5.839 ( 8.185 1.031 0.000) 8.249 5.841 ( -12.985 -6.159 0.000) 14.372 6.206 ( 0.477 -2.551 0.000) 2.596 6.443 ( -8.814 5.039 0.000) 10.153 6.446 ( 7.963 -1.925 0.000) 8.192 6.564 ( -9.781 -1.316 0.000) 9.869 6.929 ( 2.678 4.584 0.000) 5.309 7.017 ( 6.798 0.512 0.000) 6.817 7.240 ( 0.926 0.499 0.000) 1.052 7.439 ( 6.431 0.056 0.000) 6.431 7.943 ( 1.841 2.504 0.000) 3.108 7.989 ( 2.997 -0.390 0.000) 3.023 8.023 ( -0.102 -1.584 0.000) 1.587 8.107 ( 2.013 -5.106 0.000) 5.489 8.575 ( -4.529 -1.504 0.000) 4.772 8.755 ( -5.764 -4.281 0.000) 7.180 8.927 ( -8.579 0.228 0.000) 8.582 9.150 ( 1.892 4.625 0.000) 4.997 9.204 ( 0.654 2.129 0.000) 2.227 9.458 ( 1.858 -1.314 0.000) 2.276 9.622 ( -14.319 -5.036 0.000) 15.179 10.030 ( 1.161 1.421 0.000) 1.835 10.314 ( -7.032 2.897 0.000) 7.605 10.359 ( 1.754 -4.273 0.000) 4.619 10.653 ( -8.139 0.736 0.000) 8.173 11.010 ( 0.910 0.940 0.000) 1.309 11.118 ( 1.920 0.167 0.000) 1.927 11.132 ( 1.660 -6.858 0.000) 7.056 11.363 ( -4.508 5.154 0.000) 6.847 11.380 ( 0.030 -0.311 0.000) 0.313 11.785 ( -7.902 1.985 0.000) 8.147 11.958 ( -4.047 -1.352 0.000) 4.267 11.986 ( -8.729 -4.706 0.000) 9.917 12.505 ( 16.311 -0.356 0.000) 16.315 12.970 ( 4.428 1.825 0.000) 4.790 13.620 ( 10.318 8.714 0.000) 13.505 13.845 ( -17.439 1.775 0.000) 17.529 13.937 ( -10.185 -0.620 0.000) 10.204 14.078 ( -8.747 -4.750 0.000) 9.953 14.217 ( 1.897 -0.299 0.000) 1.920 14.633 ( -10.168 -2.157 0.000) 10.394 14.883 ( -5.305 5.040 0.000) 7.318 15.168 ( 0.914 -3.248 0.000) 3.374 15.401 ( 15.474 0.976 0.000) 15.505 16.074 ( 6.260 -0.731 0.000) 6.303 16.088 ( 4.544 -1.336 0.000) 4.736 16.972 ( 1.658 -0.282 0.000) 1.682 16.993 ( 1.220 0.726 0.000) 1.420 18.389 ( -3.377 -0.141 0.000) 3.380 18.524 ( -2.127 0.504 0.000) 2.186 18.796 ( 10.594 2.188 0.000) 10.818 18.938 ( 12.562 1.663 0.000) 12.672 21.098 ( -23.621 1.732 0.000) 23.684 21.217 ( -20.775 -2.593 0.000) 20.936 22.116 ( 12.896 0.247 0.000) 12.898 22.193 ( 12.665 -0.659 0.000) 12.682 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -6.596 8.672 0.000) 10.896 1.452 ( -1.150 -0.761 0.000) 1.379 1.463 ( -8.191 16.882 0.000) 18.764 1.520 ( -3.538 -1.587 0.000) 3.877 1.635 ( -0.163 2.457 0.000) 2.463 1.731 ( -1.133 0.516 0.000) 1.245 1.731 ( -5.153 0.590 0.000) 5.187 1.820 ( -5.882 -4.483 0.000) 7.396 1.829 ( -1.879 1.897 0.000) 2.670 1.926 ( -17.017 1.436 0.000) 17.078 2.052 ( 0.288 -0.215 0.000) 0.359 2.053 ( -0.831 -5.035 0.000) 5.103 2.191 ( 0.537 0.630 0.000) 0.827 2.251 ( -6.859 -2.890 0.000) 7.444 2.319 ( -2.070 3.116 0.000) 3.740 2.407 ( -0.994 2.965 0.000) 3.127 2.465 ( -1.588 -0.983 0.000) 1.868 2.532 ( 1.395 5.223 0.000) 5.406 2.619 ( -2.264 3.663 0.000) 4.306 2.750 ( -0.739 9.786 0.000) 9.814 2.946 ( 2.310 -1.984 0.000) 3.045 2.961 ( -6.617 19.277 0.000) 20.381 3.054 ( -6.402 -9.710 0.000) 11.630 3.069 ( -5.763 6.078 0.000) 8.376 3.112 ( 3.093 -8.543 0.000) 9.086 3.222 ( -12.279 -3.849 0.000) 12.868 3.260 ( -14.011 -4.160 0.000) 14.616 3.333 ( -8.654 -2.002 0.000) 8.882 3.482 ( -14.099 7.604 0.000) 16.019 3.517 ( -16.923 1.759 0.000) 17.014 3.718 ( -5.121 -4.538 0.000) 6.842 3.740 ( 1.973 -0.330 0.000) 2.001 3.830 ( -6.696 -4.001 0.000) 7.800 3.870 ( -3.465 -7.335 0.000) 8.112 4.079 ( -6.563 1.268 0.000) 6.684 4.191 ( -0.902 -5.467 0.000) 5.541 4.238 ( -1.680 -2.671 0.000) 3.156 4.430 ( -5.870 -5.962 0.000) 8.367 4.458 ( 7.119 -8.121 0.000) 10.800 4.622 ( 0.484 3.621 0.000) 3.653 4.940 ( 0.180 2.746 0.000) 2.751 4.965 ( 4.054 -1.293 0.000) 4.255 5.189 ( 1.521 -0.145 0.000) 1.528 5.365 ( -7.579 -4.336 0.000) 8.731 5.473 ( -6.504 -0.764 0.000) 6.549 5.663 ( -11.888 -6.132 0.000) 13.376 5.722 ( 3.780 3.954 0.000) 5.470 5.943 ( 5.588 4.720 0.000) 7.315 6.189 ( -2.813 2.088 0.000) 3.503 6.217 ( -9.240 4.497 0.000) 10.276 6.386 ( -10.232 0.589 0.000) 10.249 6.477 ( -6.360 -2.130 0.000) 6.707 6.894 ( -2.319 2.171 0.000) 3.177 7.204 ( 13.493 0.349 0.000) 13.498 7.262 ( 2.372 2.330 0.000) 3.324 7.577 ( 7.577 -2.601 0.000) 8.011 7.957 ( 1.496 1.992 0.000) 2.492 7.991 ( -1.228 -0.673 0.000) 1.400 8.147 ( -2.493 -3.278 0.000) 4.119 8.165 ( 9.663 -2.662 0.000) 10.023 8.521 ( -2.854 -2.301 0.000) 3.666 8.679 ( -6.410 -5.334 0.000) 8.340 8.760 ( -7.288 -0.749 0.000) 7.326 9.140 ( 0.692 2.433 0.000) 2.529 9.198 ( -2.863 2.769 0.000) 3.983 9.442 ( -7.811 -7.138 0.000) 10.581 9.463 ( -2.108 -1.076 0.000) 2.367 10.030 ( 1.457 3.592 0.000) 3.876 10.140 ( -9.905 0.628 0.000) 9.924 10.366 ( -5.061 -3.493 0.000) 6.150 10.535 ( -3.061 2.370 0.000) 3.871 10.911 ( -3.701 3.138 0.000) 4.852 11.055 ( -14.192 -0.744 0.000) 14.212 11.144 ( 0.865 -0.307 0.000) 0.918 11.333 ( 7.387 0.400 0.000) 7.398 11.568 ( 12.223 -5.368 0.000) 13.350 11.610 ( -10.743 -0.592 0.000) 10.760 11.889 ( -3.321 0.075 0.000) 3.322 11.991 ( 2.787 -5.110 0.000) 5.820 12.775 ( 11.848 -0.208 0.000) 11.850 13.025 ( 4.470 4.941 0.000) 6.663 13.446 ( -21.867 -0.091 0.000) 21.867 13.523 ( -8.047 10.149 0.000) 12.952 13.790 ( -6.030 3.078 0.000) 6.770 14.120 ( -6.440 -10.817 0.000) 12.589 14.142 ( 3.958 6.766 0.000) 7.839 14.612 ( 2.566 -6.682 0.000) 7.158 14.766 ( -4.723 -0.047 0.000) 4.724 15.175 ( -1.564 -0.884 0.000) 1.796 15.638 ( 11.787 2.267 0.000) 12.003 16.206 ( 6.604 -0.000 0.000) 6.604 16.212 ( 6.724 -2.044 0.000) 7.028 17.005 ( 1.552 -0.361 0.000) 1.594 17.011 ( 1.289 0.864 0.000) 1.552 18.334 ( -2.454 0.311 0.000) 2.474 18.481 ( -1.412 1.843 0.000) 2.321 18.985 ( 12.828 4.753 0.000) 13.680 19.181 ( 16.074 3.838 0.000) 16.526 20.614 ( -26.104 2.665 0.000) 26.240 20.851 ( -21.604 -4.583 0.000) 22.084 22.309 ( 8.403 0.754 0.000) 8.437 22.420 ( 10.269 -2.365 0.000) 10.538 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -1.685 14.768 0.000) 14.864 1.083 ( -15.475 18.447 0.000) 24.079 1.427 ( -5.935 -0.363 0.000) 5.946 1.448 ( -21.312 3.131 0.000) 21.541 1.482 ( 2.013 -3.268 0.000) 3.838 1.651 ( -2.646 -1.132 0.000) 2.878 1.661 ( -1.549 3.168 0.000) 3.527 1.697 ( -0.131 2.084 0.000) 2.089 1.723 ( -8.668 -6.500 0.000) 10.834 1.802 ( -0.775 0.615 0.000) 0.989 2.008 ( -10.603 -6.915 0.000) 12.659 2.058 ( 0.631 1.848 0.000) 1.953 2.083 ( -13.026 -4.391 0.000) 13.746 2.152 ( -2.621 3.548 0.000) 4.411 2.195 ( -5.286 35.592 0.000) 35.982 2.350 ( -0.870 6.159 0.000) 6.221 2.361 ( 3.022 6.509 0.000) 7.176 2.430 ( -1.556 1.616 0.000) 2.243 2.537 ( -2.832 2.841 0.000) 4.012 2.718 ( -8.614 -2.002 0.000) 8.844 2.795 ( -2.826 3.835 0.000) 4.764 2.889 ( -2.893 -1.427 0.000) 3.226 2.935 ( -2.936 -4.335 0.000) 5.236 2.989 ( -8.075 1.202 0.000) 8.164 3.091 ( -1.033 -1.936 0.000) 2.194 3.136 ( -5.044 -1.477 0.000) 5.256 3.159 ( -6.557 0.894 0.000) 6.618 3.274 ( 1.390 -8.426 0.000) 8.540 3.278 ( -5.513 3.083 0.000) 6.316 3.336 ( 1.228 -10.237 0.000) 10.310 3.599 ( -9.434 -0.242 0.000) 9.437 3.762 ( -3.933 -5.764 0.000) 6.978 3.780 ( 1.066 -0.958 0.000) 1.433 3.827 ( -1.831 7.372 0.000) 7.596 4.051 ( 3.275 -3.878 0.000) 5.076 4.229 ( -1.965 -2.532 0.000) 3.205 4.234 ( -1.626 -8.447 0.000) 8.602 4.394 ( -4.281 -8.975 0.000) 9.944 4.589 ( -0.393 4.060 0.000) 4.079 4.750 ( 12.762 -10.468 0.000) 16.506 4.925 ( 0.674 2.260 0.000) 2.358 5.104 ( 8.699 -1.991 0.000) 8.924 5.176 ( -1.617 1.302 0.000) 2.076 5.209 ( -8.270 -2.379 0.000) 8.605 5.429 ( -4.764 -5.651 0.000) 7.392 5.495 ( -10.881 -4.544 0.000) 11.791 5.770 ( 4.115 3.637 0.000) 5.492 5.981 ( 3.495 6.093 0.000) 7.025 6.067 ( -3.199 3.630 0.000) 4.838 6.085 ( -3.988 5.499 0.000) 6.793 6.190 ( -9.046 0.537 0.000) 9.062 6.322 ( -8.645 0.499 0.000) 8.659 6.829 ( -3.321 -0.437 0.000) 3.350 7.277 ( 1.958 4.380 0.000) 4.797 7.453 ( 12.107 0.984 0.000) 12.147 7.771 ( 7.804 -8.293 0.000) 11.387 7.952 ( -3.745 -1.280 0.000) 3.957 7.956 ( -1.044 0.321 0.000) 1.092 8.078 ( -3.682 1.617 0.000) 4.022 8.333 ( 4.953 0.207 0.000) 4.957 8.503 ( -1.654 -1.034 0.000) 1.951 8.653 ( -1.087 -10.747 0.000) 10.802 8.705 ( -0.651 -2.505 0.000) 2.588 8.998 ( -11.850 -0.653 0.000) 11.868 9.190 ( 1.404 -2.646 0.000) 2.996 9.418 ( -2.669 -0.273 0.000) 2.683 9.438 ( 0.983 -0.798 0.000) 1.266 9.959 ( -8.610 -0.560 0.000) 8.628 10.028 ( 1.814 4.938 0.000) 5.261 10.254 ( -7.178 -1.070 0.000) 7.257 10.491 ( 0.471 3.292 0.000) 3.325 10.817 ( -10.078 0.008 0.000) 10.078 10.885 ( 1.371 -0.186 0.000) 1.384 11.150 ( -0.703 -0.559 0.000) 0.898 11.379 ( -5.994 -0.128 0.000) 5.996 11.522 ( 4.929 2.272 0.000) 5.428 11.813 ( 3.837 -1.630 0.000) 4.169 11.885 ( 6.968 -5.641 0.000) 8.965 12.101 ( 2.857 -6.885 0.000) 7.454 12.923 ( 1.994 -2.984 0.000) 3.589 13.048 ( 3.307 7.783 0.000) 8.456 13.100 ( -14.753 -2.402 0.000) 14.948 13.344 ( 2.547 12.428 0.000) 12.686 13.661 ( -4.202 4.057 0.000) 5.841 13.874 ( -16.323 0.883 0.000) 16.346 14.333 ( 7.349 -6.248 0.000) 9.646 14.710 ( -2.839 -3.354 0.000) 4.394 14.743 ( 4.398 -5.760 0.000) 7.247 15.141 ( -1.703 0.896 0.000) 1.924 15.815 ( 8.489 0.600 0.000) 8.510 16.299 ( 3.586 0.978 0.000) 3.717 16.349 ( 5.431 -2.652 0.000) 6.044 17.024 ( 0.851 0.913 0.000) 1.248 17.032 ( 0.899 -0.357 0.000) 0.967 18.294 ( -1.351 0.728 0.000) 1.535 18.440 ( -0.799 3.153 0.000) 3.253 19.190 ( 14.852 8.933 0.000) 17.332 19.483 ( 20.768 5.014 0.000) 21.365 20.107 ( -24.555 3.017 0.000) 24.739 20.488 ( -22.492 -6.319 0.000) 23.363 22.419 ( 4.153 0.793 0.000) 4.228 22.605 ( 6.363 -4.041 0.000) 7.538 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 20.161 0.000) 20.161 0.829 ( 0.000 21.463 0.000) 21.463 1.162 ( 0.000 3.824 0.000) 3.824 1.363 ( -0.000 -1.064 0.000) 1.064 1.583 ( -0.000 -3.781 0.000) 3.781 1.588 ( 0.000 15.994 0.000) 15.994 1.626 ( -0.000 -5.977 0.000) 5.977 1.668 ( -0.000 -3.412 0.000) 3.412 1.683 ( 0.000 20.449 0.000) 20.449 1.748 ( 0.000 2.307 0.000) 2.307 1.873 ( 0.000 12.151 0.000) 12.151 1.888 ( -0.000 -3.483 0.000) 3.483 1.949 ( -0.000 -2.678 0.000) 2.678 2.042 ( 0.000 2.173 0.000) 2.173 2.089 ( 0.000 3.216 0.000) 3.216 2.287 ( 0.000 6.646 0.000) 6.646 2.389 ( 0.000 4.317 0.000) 4.317 2.428 ( 0.000 4.484 0.000) 4.484 2.484 ( 0.000 1.600 0.000) 1.600 2.522 ( -0.000 -3.472 0.000) 3.472 2.782 ( 0.000 1.808 0.000) 1.808 2.865 ( 0.000 2.832 0.000) 2.832 2.887 ( 0.000 14.331 0.000) 14.331 2.956 ( -0.000 -4.076 0.000) 4.076 3.036 ( -0.000 -12.902 0.000) 12.902 3.109 ( 0.000 1.725 0.000) 1.725 3.207 ( 0.000 1.177 0.000) 1.177 3.214 ( -0.000 -7.440 0.000) 7.440 3.348 ( -0.000 -6.734 0.000) 6.734 3.461 ( 0.000 3.833 0.000) 3.833 3.473 ( -0.000 -13.634 0.000) 13.634 3.741 ( 0.000 8.579 0.000) 8.579 3.763 ( -0.000 -5.147 0.000) 5.147 3.818 ( -0.000 -2.729 0.000) 2.729 4.133 ( -0.000 -1.937 0.000) 1.937 4.213 ( 0.000 0.337 0.000) 0.337 4.270 ( -0.000 -9.800 0.000) 9.800 4.435 ( -0.000 -9.113 0.000) 9.113 4.548 ( 0.000 4.221 0.000) 4.221 4.926 ( -0.000 -0.294 0.000) 0.294 4.991 ( -0.000 -7.166 0.000) 7.166 5.141 ( 0.000 1.693 0.000) 1.693 5.150 ( -0.000 -3.567 0.000) 3.567 5.303 ( -0.000 -8.677 0.000) 8.677 5.334 ( -0.000 -0.598 0.000) 0.598 5.407 ( -0.000 -3.813 0.000) 3.813 5.785 ( 0.000 3.788 0.000) 3.788 5.969 ( 0.000 6.871 0.000) 6.871 5.981 ( 0.000 7.364 0.000) 7.364 5.985 ( 0.000 7.424 0.000) 7.424 6.120 ( -0.000 -3.931 0.000) 3.931 6.221 ( 0.000 1.097 0.000) 1.097 6.802 ( -0.000 -1.437 0.000) 1.437 7.255 ( 0.000 5.430 0.000) 5.430 7.572 ( 0.000 2.092 0.000) 2.092 7.876 ( 0.000 0.192 0.000) 0.192 7.928 ( 0.000 0.097 0.000) 0.097 7.986 ( -0.000 -14.051 0.000) 14.051 8.033 ( 0.000 2.287 0.000) 2.287 8.351 ( 0.000 2.285 0.000) 2.285 8.478 ( 0.000 0.022 0.000) 0.022 8.737 ( -0.000 -2.457 0.000) 2.457 8.778 ( -0.000 -14.042 0.000) 14.042 8.850 ( 0.000 0.348 0.000) 0.348 9.236 ( -0.000 -4.060 0.000) 4.060 9.390 ( 0.000 0.073 0.000) 0.073 9.443 ( 0.000 1.842 0.000) 1.842 9.873 ( -0.000 -0.539 0.000) 0.539 10.001 ( 0.000 6.407 0.000) 6.407 10.183 ( -0.000 -0.419 0.000) 0.419 10.480 ( 0.000 2.135 0.000) 2.135 10.714 ( 0.000 0.229 0.000) 0.229 10.921 ( -0.000 -2.132 0.000) 2.132 11.138 ( 0.000 0.037 0.000) 0.037 11.309 ( -0.000 -0.363 0.000) 0.363 11.541 ( 0.000 8.282 0.000) 8.282 11.815 ( 0.000 1.798 0.000) 1.798 12.099 ( -0.000 -14.620 0.000) 14.620 12.199 ( -0.000 -10.326 0.000) 10.326 12.947 ( -0.000 -4.556 0.000) 4.556 12.988 ( -0.000 -4.578 0.000) 4.578 13.007 ( 0.000 9.720 0.000) 9.720 13.409 ( 0.000 14.128 0.000) 14.128 13.553 ( 0.000 4.190 0.000) 4.190 13.584 ( 0.000 4.262 0.000) 4.262 14.470 ( -0.000 -8.543 0.000) 8.543 14.718 ( -0.000 -5.050 0.000) 5.050 14.832 ( -0.000 -4.416 0.000) 4.416 15.111 ( 0.000 1.823 0.000) 1.823 15.913 ( -0.000 -1.327 0.000) 1.327 16.321 ( 0.000 1.488 0.000) 1.488 16.437 ( -0.000 -5.064 0.000) 5.064 17.025 ( 0.000 0.952 0.000) 0.952 17.043 ( -0.000 -0.280 0.000) 0.280 18.274 ( 0.000 0.841 0.000) 0.841 18.402 ( 0.000 3.865 0.000) 3.865 19.287 ( 0.000 15.588 0.000) 15.588 19.794 ( 0.000 0.097 0.000) 0.097 19.796 ( 0.000 0.124 0.000) 0.124 20.188 ( -0.000 -3.117 0.000) 3.117 22.452 ( 0.000 0.570 0.000) 0.570 22.705 ( -0.000 -4.610 0.000) 4.610 ======================= Grid point 30 (20/75) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -4.295 -0.000 0.000) 4.295 1.513 ( -4.715 -0.000 0.000) 4.715 1.531 ( -4.367 -0.000 0.000) 4.367 1.667 ( 2.739 0.000 0.000) 2.739 1.678 ( -1.009 -0.000 0.000) 1.009 1.742 ( 7.581 0.000 0.000) 7.581 1.756 ( -2.360 -0.000 0.000) 2.360 1.852 ( 0.247 0.000 0.000) 0.247 1.878 ( -0.999 -0.000 0.000) 0.999 2.020 ( 0.044 0.000 0.000) 0.044 2.052 ( -2.216 -0.000 0.000) 2.216 2.163 ( 1.765 0.000 0.000) 1.765 2.193 ( -7.975 -0.000 0.000) 7.975 2.266 ( -2.516 -0.000 0.000) 2.516 2.349 ( -4.224 -0.000 0.000) 4.224 2.424 ( 2.624 0.000 0.000) 2.624 2.483 ( -1.662 -0.000 0.000) 1.662 2.662 ( 1.256 0.000 0.000) 1.256 2.664 ( -4.152 -0.000 0.000) 4.152 2.805 ( 6.291 0.000 0.000) 6.291 2.879 ( 2.437 0.000 0.000) 2.437 3.005 ( -3.356 -0.000 0.000) 3.356 3.104 ( -11.666 -0.000 0.000) 11.666 3.213 ( 7.398 0.000 0.000) 7.398 3.217 ( -3.937 -0.000 0.000) 3.937 3.282 ( -3.660 -0.000 0.000) 3.660 3.542 ( -1.635 -0.000 0.000) 1.635 3.617 ( -15.760 -0.000 0.000) 15.760 3.630 ( -7.854 -0.000 0.000) 7.854 3.660 ( 4.625 0.000 0.000) 4.625 3.803 ( -4.663 -0.000 0.000) 4.663 3.896 ( -10.389 -0.000 0.000) 10.389 3.909 ( -11.703 -0.000 0.000) 11.703 3.955 ( -15.687 -0.000 0.000) 15.687 4.005 ( 12.564 0.000 0.000) 12.564 4.082 ( -11.419 -0.000 0.000) 11.419 4.318 ( -8.442 -0.000 0.000) 8.442 4.457 ( -8.629 -0.000 0.000) 8.629 4.589 ( -16.502 -0.000 0.000) 16.502 4.650 ( 3.808 0.000 0.000) 3.808 4.944 ( 1.097 0.000 0.000) 1.097 4.976 ( -7.293 -0.000 0.000) 7.293 5.111 ( 6.379 0.000 0.000) 6.379 5.354 ( -1.098 -0.000 0.000) 1.098 5.749 ( -11.274 -0.000 0.000) 11.274 5.751 ( -14.943 -0.000 0.000) 14.943 5.762 ( 0.792 0.000 0.000) 0.792 5.830 ( 12.583 0.000 0.000) 12.583 6.182 ( 2.157 0.000 0.000) 2.157 6.429 ( 6.829 0.000 0.000) 6.829 6.514 ( -4.781 -0.000 0.000) 4.781 6.527 ( -13.418 -0.000 0.000) 13.418 6.969 ( 1.841 0.000 0.000) 1.841 7.022 ( 6.914 0.000 0.000) 6.914 7.244 ( 1.480 0.000 0.000) 1.480 7.440 ( 6.205 0.000 0.000) 6.205 7.983 ( 3.018 0.000 0.000) 3.018 7.986 ( 4.074 0.000 0.000) 4.074 8.006 ( -2.482 -0.000 0.000) 2.482 8.044 ( 1.149 0.000 0.000) 1.149 8.568 ( -4.044 -0.000 0.000) 4.044 8.716 ( -5.430 -0.000 0.000) 5.430 8.929 ( -9.294 -0.000 0.000) 9.294 9.198 ( 5.709 0.000 0.000) 5.709 9.217 ( -2.918 -0.000 0.000) 2.918 9.446 ( 1.921 0.000 0.000) 1.921 9.578 ( -15.437 -0.000 0.000) 15.437 10.043 ( 1.980 0.000 0.000) 1.980 10.318 ( 1.777 0.000 0.000) 1.777 10.339 ( -8.538 -0.000 0.000) 8.538 10.659 ( -7.809 -0.000 0.000) 7.809 11.015 ( 4.980 0.000 0.000) 4.980 11.067 ( 2.024 0.000 0.000) 2.024 11.119 ( 1.242 0.000 0.000) 1.242 11.381 ( -4.337 -0.000 0.000) 4.337 11.412 ( -2.875 -0.000 0.000) 2.875 11.812 ( -11.316 -0.000 0.000) 11.316 11.936 ( -7.618 -0.000 0.000) 7.618 11.945 ( -3.194 -0.000 0.000) 3.194 12.503 ( 16.689 0.000 0.000) 16.689 12.985 ( 5.489 0.000 0.000) 5.489 13.710 ( 14.909 0.000 0.000) 14.909 13.862 ( -21.260 -0.000 0.000) 21.260 13.929 ( -5.541 -0.000 0.000) 5.541 14.019 ( -14.427 -0.000 0.000) 14.427 14.212 ( 3.893 0.000 0.000) 3.893 14.622 ( -12.179 -0.000 0.000) 12.179 14.940 ( -9.204 -0.000 0.000) 9.204 15.129 ( 3.508 0.000 0.000) 3.508 15.409 ( 16.410 0.000 0.000) 16.410 16.068 ( 6.572 0.000 0.000) 6.572 16.076 ( 4.325 0.000 0.000) 4.325 16.969 ( 1.663 0.000 0.000) 1.663 16.999 ( 1.169 0.000 0.000) 1.169 18.388 ( -3.195 -0.000 0.000) 3.195 18.528 ( -1.708 -0.000 0.000) 1.708 18.814 ( 11.035 0.000 0.000) 11.035 18.951 ( 12.945 0.000 0.000) 12.945 21.117 ( -23.214 -0.000 0.000) 23.214 21.191 ( -21.388 -0.000 0.000) 21.388 22.118 ( 13.163 0.000 0.000) 13.163 22.187 ( 12.111 0.000 0.000) 12.111 ======================= Grid point 32 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -5.648 4.378 0.000) 7.146 1.455 ( -2.810 0.541 0.000) 2.861 1.489 ( -1.672 -1.621 0.000) 2.328 1.664 ( -0.011 1.911 0.000) 1.912 1.692 ( -0.304 4.685 0.000) 4.695 1.699 ( -5.418 -2.853 0.000) 6.123 1.764 ( -4.857 8.026 0.000) 9.381 1.791 ( -7.058 0.177 0.000) 7.060 1.834 ( -4.478 -0.335 0.000) 4.490 1.939 ( -5.803 -6.627 0.000) 8.808 1.971 ( -15.366 0.112 0.000) 15.366 2.054 ( 2.111 0.268 0.000) 2.128 2.184 ( -7.852 -3.061 0.000) 8.427 2.200 ( 2.974 0.169 0.000) 2.979 2.385 ( 5.468 2.714 0.000) 6.105 2.442 ( 0.008 1.471 0.000) 1.471 2.467 ( -0.280 0.432 0.000) 0.515 2.593 ( -0.481 2.352 0.000) 2.401 2.693 ( 0.789 4.774 0.000) 4.838 2.860 ( -0.416 4.523 0.000) 4.542 2.884 ( -8.650 -8.380 0.000) 12.044 2.922 ( 2.910 -0.859 0.000) 3.034 3.001 ( 0.296 -4.242 0.000) 4.252 3.119 ( -4.460 -0.443 0.000) 4.482 3.132 ( -13.553 -3.680 0.000) 14.043 3.274 ( -14.854 4.576 0.000) 15.542 3.313 ( -14.414 -0.404 0.000) 14.419 3.320 ( -5.025 15.061 0.000) 15.877 3.544 ( -1.609 -6.430 0.000) 6.629 3.605 ( -17.427 5.826 0.000) 18.375 3.614 ( -12.248 7.315 0.000) 14.266 3.727 ( -1.050 -1.547 0.000) 1.870 3.749 ( -4.334 -4.855 0.000) 6.508 3.796 ( 0.029 -5.135 0.000) 5.135 3.941 ( -6.737 -12.109 0.000) 13.857 4.214 ( -3.193 -0.440 0.000) 3.223 4.226 ( 2.650 4.277 0.000) 5.031 4.346 ( -1.644 -3.202 0.000) 3.599 4.356 ( -5.121 -3.563 0.000) 6.238 4.685 ( 1.529 2.970 0.000) 3.340 4.937 ( 1.743 -1.389 0.000) 2.229 4.955 ( -0.018 -0.351 0.000) 0.351 5.196 ( 2.616 0.538 0.000) 2.671 5.315 ( -4.862 -1.522 0.000) 5.094 5.489 ( -9.934 2.326 0.000) 10.202 5.569 ( -11.105 -4.800 0.000) 12.098 5.768 ( 1.783 1.431 0.000) 2.286 5.998 ( 6.680 1.798 0.000) 6.917 6.220 ( 1.134 1.345 0.000) 1.759 6.280 ( -10.788 2.509 0.000) 11.076 6.388 ( -8.771 -0.220 0.000) 8.774 6.432 ( -6.525 -2.214 0.000) 6.891 6.928 ( -4.320 1.318 0.000) 4.517 7.211 ( 13.241 0.342 0.000) 13.246 7.290 ( 3.362 0.900 0.000) 3.481 7.544 ( 4.544 -1.124 0.000) 4.681 7.978 ( -1.477 -0.608 0.000) 1.597 8.007 ( 0.840 3.885 0.000) 3.974 8.081 ( 0.497 -4.399 0.000) 4.427 8.124 ( 9.652 -1.618 0.000) 9.787 8.507 ( -2.323 0.229 0.000) 2.335 8.619 ( -5.947 -2.034 0.000) 6.285 8.750 ( -8.531 -0.390 0.000) 8.540 9.165 ( -1.826 0.734 0.000) 1.968 9.253 ( -10.204 3.336 0.000) 10.735 9.346 ( 0.276 -4.372 0.000) 4.381 9.449 ( -1.505 -0.474 0.000) 1.577 10.070 ( 1.622 1.204 0.000) 2.020 10.147 ( -11.301 0.185 0.000) 11.302 10.317 ( -3.205 -1.901 0.000) 3.726 10.563 ( -2.199 0.888 0.000) 2.372 10.946 ( -6.405 1.117 0.000) 6.502 11.033 ( -10.022 -1.228 0.000) 10.097 11.142 ( 0.838 -0.047 0.000) 0.839 11.347 ( 3.060 0.943 0.000) 3.202 11.500 ( 11.390 -2.238 0.000) 11.608 11.592 ( -11.982 -1.059 0.000) 12.029 11.888 ( -2.511 -0.047 0.000) 2.511 11.943 ( 4.569 -1.121 0.000) 4.705 12.769 ( 10.622 -0.334 0.000) 10.627 13.082 ( 5.475 1.771 0.000) 5.754 13.445 ( -22.549 -0.006 0.000) 22.549 13.708 ( -7.636 11.304 0.000) 13.641 13.825 ( -5.367 1.090 0.000) 5.477 13.926 ( -3.911 -11.364 0.000) 12.018 14.227 ( 1.249 2.608 0.000) 2.892 14.542 ( 2.977 -1.953 0.000) 3.561 14.775 ( -7.316 0.594 0.000) 7.340 15.162 ( 0.029 -0.563 0.000) 0.563 15.662 ( 10.892 0.626 0.000) 10.910 16.191 ( 7.358 -0.546 0.000) 7.378 16.206 ( 7.235 0.013 0.000) 7.235 17.001 ( 1.541 -0.156 0.000) 1.549 17.021 ( 1.182 0.312 0.000) 1.222 18.337 ( -2.205 0.091 0.000) 2.207 18.502 ( -0.883 0.628 0.000) 1.084 19.039 ( 13.759 1.621 0.000) 13.855 19.219 ( 16.192 1.015 0.000) 16.224 20.651 ( -25.788 1.518 0.000) 25.833 20.792 ( -22.208 -2.177 0.000) 22.314 22.322 ( 8.906 0.631 0.000) 8.928 22.388 ( 9.004 -1.253 0.000) 9.091 ======================= Grid point 33 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 1.274 7.706 0.000) 7.811 1.364 ( -18.836 13.711 0.000) 23.297 1.419 ( -3.454 -0.372 0.000) 3.474 1.447 ( -2.022 -0.747 0.000) 2.156 1.493 ( -18.350 3.788 0.000) 18.737 1.609 ( -7.336 -4.681 0.000) 8.702 1.645 ( -6.426 -1.645 0.000) 6.633 1.695 ( 2.609 1.192 0.000) 2.868 1.741 ( -1.248 1.483 0.000) 1.939 1.822 ( -0.995 1.730 0.000) 1.996 1.893 ( -7.680 -7.246 0.000) 10.559 2.016 ( -12.286 -3.106 0.000) 12.672 2.098 ( 3.420 2.619 0.000) 4.308 2.225 ( -0.323 4.820 0.000) 4.830 2.419 ( -0.900 -0.030 0.000) 0.900 2.429 ( 4.530 6.015 0.000) 7.530 2.449 ( -0.702 2.953 0.000) 3.035 2.606 ( -0.820 3.600 0.000) 3.692 2.636 ( 4.689 3.894 0.000) 6.095 2.737 ( -14.372 5.942 0.000) 15.552 2.813 ( -9.236 -5.936 0.000) 10.979 2.891 ( -4.115 1.961 0.000) 4.558 2.938 ( -6.523 5.185 0.000) 8.333 2.999 ( 3.628 -4.458 0.000) 5.748 3.014 ( -9.200 8.125 0.000) 12.275 3.095 ( 3.187 -9.603 0.000) 10.118 3.140 ( -1.395 9.488 0.000) 9.590 3.191 ( -2.568 -6.945 0.000) 7.405 3.328 ( -9.236 9.785 0.000) 13.455 3.333 ( -7.645 3.559 0.000) 8.433 3.557 ( -3.325 -4.174 0.000) 5.336 3.660 ( -5.635 -6.191 0.000) 8.372 3.767 ( 0.553 -0.650 0.000) 0.854 3.904 ( 5.442 -0.498 0.000) 5.465 3.958 ( -1.277 -9.933 0.000) 10.015 4.138 ( -2.771 -2.239 0.000) 3.562 4.186 ( -1.360 -2.140 0.000) 2.535 4.262 ( -6.818 -6.186 0.000) 9.207 4.562 ( 9.554 -8.282 0.000) 12.644 4.668 ( 0.413 5.049 0.000) 5.066 4.953 ( -0.045 0.506 0.000) 0.508 5.044 ( 6.378 -4.570 0.000) 7.846 5.186 ( -7.672 -0.638 0.000) 7.698 5.201 ( -0.577 1.444 0.000) 1.555 5.364 ( -5.044 -1.749 0.000) 5.338 5.424 ( -8.084 -4.055 0.000) 9.044 5.816 ( 4.171 1.781 0.000) 4.535 6.067 ( 3.490 4.229 0.000) 5.483 6.111 ( -4.837 1.848 0.000) 5.177 6.170 ( -3.225 4.653 0.000) 5.661 6.216 ( -8.108 1.858 0.000) 8.318 6.305 ( -7.407 -2.678 0.000) 7.877 6.832 ( -4.207 0.566 0.000) 4.245 7.337 ( 2.736 2.572 0.000) 3.755 7.461 ( 12.425 0.178 0.000) 12.426 7.647 ( 3.733 -5.747 0.000) 6.853 7.937 ( -3.724 -0.608 0.000) 3.773 7.966 ( -2.646 0.716 0.000) 2.741 8.104 ( 0.477 1.410 0.000) 1.488 8.323 ( 8.135 -1.697 0.000) 8.310 8.483 ( -0.317 -0.749 0.000) 0.813 8.537 ( -4.571 -3.550 0.000) 5.787 8.658 ( -2.526 -2.792 0.000) 3.766 8.989 ( -12.412 -0.462 0.000) 12.421 9.155 ( -0.222 -1.461 0.000) 1.477 9.414 ( -2.119 -0.205 0.000) 2.129 9.437 ( 4.271 0.350 0.000) 4.285 9.950 ( -8.823 -0.370 0.000) 8.831 10.087 ( 1.619 2.265 0.000) 2.784 10.235 ( -5.743 -1.030 0.000) 5.834 10.544 ( 1.012 2.626 0.000) 2.814 10.819 ( -10.003 0.125 0.000) 10.003 10.871 ( -1.542 -1.011 0.000) 1.843 11.146 ( -0.387 -0.073 0.000) 0.394 11.379 ( -6.699 0.253 0.000) 6.704 11.498 ( 5.068 -3.723 0.000) 6.288 11.731 ( 8.964 -4.940 0.000) 10.235 11.862 ( -0.115 0.363 0.000) 0.380 12.049 ( 5.016 -0.461 0.000) 5.037 12.876 ( 0.073 -2.266 0.000) 2.268 13.070 ( -16.609 -1.163 0.000) 16.650 13.151 ( 4.167 4.363 0.000) 6.033 13.541 ( 1.619 10.941 0.000) 11.060 13.715 ( -4.432 2.328 0.000) 5.006 13.835 ( -11.705 -5.471 0.000) 12.921 14.285 ( 4.726 -0.160 0.000) 4.729 14.665 ( 5.578 -3.438 0.000) 6.553 14.673 ( -3.739 -1.187 0.000) 3.923 15.153 ( -0.714 0.499 0.000) 0.871 15.814 ( 5.884 -0.485 0.000) 5.904 16.312 ( 4.091 0.586 0.000) 4.133 16.330 ( 6.237 -0.150 0.000) 6.239 17.026 ( 0.894 -0.302 0.000) 0.944 17.036 ( 0.744 0.492 0.000) 0.892 18.304 ( -1.168 0.424 0.000) 1.243 18.481 ( -0.398 1.710 0.000) 1.755 19.299 ( 16.732 4.214 0.000) 17.254 19.533 ( 18.509 1.556 0.000) 18.575 20.154 ( -25.161 2.302 0.000) 25.266 20.407 ( -21.474 -3.478 0.000) 21.754 22.437 ( 4.366 1.321 0.000) 4.561 22.542 ( 5.302 -3.325 0.000) 6.259 ======================= Grid point 34 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 13.885 0.000) 13.885 1.141 ( 0.000 15.931 0.000) 15.931 1.245 ( 0.000 7.096 0.000) 7.096 1.328 ( -0.000 -2.874 0.000) 2.874 1.517 ( -0.000 -3.909 0.000) 3.909 1.525 ( -0.000 -5.684 0.000) 5.684 1.616 ( -0.000 -2.884 0.000) 2.884 1.694 ( 0.000 5.788 0.000) 5.788 1.756 ( 0.000 1.316 0.000) 1.316 1.809 ( 0.000 1.468 0.000) 1.468 1.830 ( -0.000 -3.728 0.000) 3.728 1.882 ( -0.000 -5.271 0.000) 5.271 2.118 ( 0.000 6.963 0.000) 6.963 2.142 ( 0.000 2.817 0.000) 2.817 2.399 ( 0.000 6.347 0.000) 6.347 2.416 ( -0.000 -0.609 0.000) 0.609 2.474 ( -0.000 -2.084 0.000) 2.084 2.484 ( 0.000 30.980 0.000) 30.980 2.521 ( 0.000 16.234 0.000) 16.234 2.567 ( 0.000 8.148 0.000) 8.148 2.798 ( -0.000 -14.795 0.000) 14.795 2.806 ( 0.000 1.047 0.000) 1.047 2.884 ( -0.000 -4.236 0.000) 4.236 2.892 ( 0.000 1.647 0.000) 1.647 3.071 ( -0.000 -1.917 0.000) 1.917 3.138 ( 0.000 1.571 0.000) 1.571 3.145 ( 0.000 8.342 0.000) 8.342 3.217 ( 0.000 0.328 0.000) 0.328 3.237 ( -0.000 -6.964 0.000) 6.964 3.242 ( -0.000 -13.389 0.000) 13.389 3.517 ( 0.000 2.552 0.000) 2.552 3.657 ( -0.000 -6.982 0.000) 6.982 3.781 ( -0.000 -1.570 0.000) 1.570 3.899 ( 0.000 7.492 0.000) 7.492 4.098 ( -0.000 -2.036 0.000) 2.036 4.105 ( -0.000 -9.535 0.000) 9.535 4.192 ( -0.000 -2.256 0.000) 2.256 4.265 ( -0.000 -10.671 0.000) 10.671 4.626 ( 0.000 5.319 0.000) 5.319 4.773 ( -0.000 -15.628 0.000) 15.628 4.945 ( 0.000 1.452 0.000) 1.452 5.111 ( -0.000 -1.178 0.000) 1.178 5.176 ( 0.000 2.180 0.000) 2.180 5.190 ( -0.000 -6.381 0.000) 6.381 5.309 ( -0.000 -2.481 0.000) 2.481 5.357 ( -0.000 -1.683 0.000) 1.683 5.845 ( 0.000 3.422 0.000) 3.422 6.061 ( 0.000 4.197 0.000) 4.197 6.076 ( -0.000 -1.239 0.000) 1.239 6.091 ( 0.000 5.228 0.000) 5.228 6.093 ( 0.000 5.234 0.000) 5.234 6.235 ( 0.000 0.472 0.000) 0.472 6.788 ( -0.000 -0.251 0.000) 0.251 7.336 ( 0.000 4.037 0.000) 4.037 7.597 ( 0.000 0.782 0.000) 0.782 7.767 ( -0.000 -11.317 0.000) 11.317 7.879 ( 0.000 0.177 0.000) 0.177 7.930 ( 0.000 0.099 0.000) 0.099 8.084 ( 0.000 3.697 0.000) 3.697 8.387 ( 0.000 1.830 0.000) 1.830 8.479 ( 0.000 0.053 0.000) 0.053 8.572 ( -0.000 -10.173 0.000) 10.173 8.678 ( -0.000 -4.486 0.000) 4.486 8.856 ( 0.000 0.292 0.000) 0.292 9.176 ( -0.000 -3.067 0.000) 3.067 9.391 ( 0.000 0.064 0.000) 0.064 9.471 ( 0.000 1.533 0.000) 1.533 9.864 ( -0.000 -0.477 0.000) 0.477 10.081 ( 0.000 3.422 0.000) 3.422 10.176 ( -0.000 -0.361 0.000) 0.361 10.533 ( 0.000 3.580 0.000) 3.580 10.717 ( 0.000 0.210 0.000) 0.210 10.880 ( -0.000 -2.624 0.000) 2.624 11.139 ( 0.000 0.028 0.000) 0.028 11.303 ( -0.000 -0.332 0.000) 0.332 11.591 ( -0.000 -2.138 0.000) 2.138 11.837 ( 0.000 0.084 0.000) 0.084 11.905 ( -0.000 -7.939 0.000) 7.939 12.104 ( -0.000 -1.019 0.000) 1.019 12.880 ( -0.000 -3.320 0.000) 3.320 12.920 ( -0.000 -3.318 0.000) 3.318 13.147 ( 0.000 6.835 0.000) 6.835 13.598 ( 0.000 8.395 0.000) 8.395 13.614 ( 0.000 3.002 0.000) 3.002 13.647 ( 0.000 3.047 0.000) 3.047 14.358 ( -0.000 -4.530 0.000) 4.530 14.655 ( -0.000 -2.584 0.000) 2.584 14.755 ( -0.000 -4.278 0.000) 4.278 15.137 ( 0.000 1.276 0.000) 1.276 15.885 ( -0.000 -1.938 0.000) 1.938 16.343 ( 0.000 1.100 0.000) 1.100 16.395 ( -0.000 -0.553 0.000) 0.553 17.037 ( -0.000 -0.368 0.000) 0.368 17.038 ( 0.000 0.652 0.000) 0.652 18.288 ( 0.000 0.715 0.000) 0.715 18.458 ( 0.000 2.732 0.000) 2.732 19.503 ( 0.000 10.026 0.000) 10.026 19.796 ( 0.000 0.087 0.000) 0.087 19.798 ( 0.000 0.108 0.000) 0.108 20.136 ( -0.000 -2.922 0.000) 2.922 22.466 ( 0.000 1.196 0.000) 1.196 22.628 ( -0.000 -4.488 0.000) 4.488 ======================= Grid point 41 (24/75) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.214 0.000 0.000) 0.214 1.418 ( -0.560 -0.000 0.000) 0.560 1.447 ( -3.242 -0.000 0.000) 3.242 1.453 ( -25.999 -0.000 0.000) 25.999 1.562 ( -7.209 -0.000 0.000) 7.209 1.608 ( -13.246 -0.000 0.000) 13.246 1.632 ( -7.966 -0.000 0.000) 7.966 1.707 ( 2.900 0.000 0.000) 2.900 1.725 ( -1.244 -0.000 0.000) 1.244 1.782 ( -4.028 -0.000 0.000) 4.028 1.859 ( -1.502 -0.000 0.000) 1.502 1.991 ( -11.172 -0.000 0.000) 11.172 2.124 ( 4.206 0.000 0.000) 4.206 2.279 ( 4.675 0.000 0.000) 4.675 2.431 ( -3.864 -0.000 0.000) 3.864 2.442 ( -1.531 -0.000 0.000) 1.531 2.490 ( 1.465 0.000 0.000) 1.465 2.643 ( 5.537 0.000 0.000) 5.537 2.650 ( -6.220 -0.000 0.000) 6.220 2.759 ( -1.256 -0.000 0.000) 1.256 2.791 ( -16.289 -0.000 0.000) 16.289 2.892 ( -0.576 -0.000 0.000) 0.576 2.939 ( -12.218 -0.000 0.000) 12.218 2.984 ( 2.516 0.000 0.000) 2.516 2.998 ( 1.927 0.000 0.000) 1.927 3.053 ( -0.512 -0.000 0.000) 0.512 3.113 ( -4.856 -0.000 0.000) 4.856 3.344 ( -10.428 -0.000 0.000) 10.428 3.434 ( -8.806 -0.000 0.000) 8.806 3.483 ( 4.643 0.000 0.000) 4.643 3.569 ( -2.799 -0.000 0.000) 2.799 3.587 ( -5.870 -0.000 0.000) 5.870 3.668 ( -2.049 -0.000 0.000) 2.049 3.761 ( 0.499 0.000 0.000) 0.499 3.895 ( 4.494 0.000 0.000) 4.494 4.125 ( -5.245 -0.000 0.000) 5.245 4.168 ( -1.511 -0.000 0.000) 1.511 4.206 ( -8.376 -0.000 0.000) 8.376 4.519 ( 10.059 0.000 0.000) 10.059 4.720 ( 0.780 0.000 0.000) 0.780 4.950 ( -0.194 -0.000 0.000) 0.194 4.994 ( 4.713 0.000 0.000) 4.713 5.181 ( -7.321 -0.000 0.000) 7.321 5.215 ( -0.391 -0.000 0.000) 0.391 5.360 ( -8.423 -0.000 0.000) 8.423 5.379 ( -3.865 -0.000 0.000) 3.865 5.830 ( 4.504 0.000 0.000) 4.504 6.108 ( 4.141 0.000 0.000) 4.141 6.128 ( -6.004 -0.000 0.000) 6.004 6.234 ( -7.149 -0.000 0.000) 7.149 6.242 ( -0.123 -0.000 0.000) 0.123 6.243 ( -10.477 -0.000 0.000) 10.477 6.838 ( -4.657 -0.000 0.000) 4.657 7.358 ( 2.982 0.000 0.000) 2.982 7.463 ( 12.250 0.000 0.000) 12.250 7.597 ( 2.232 0.000 0.000) 2.232 7.932 ( -3.338 -0.000 0.000) 3.338 7.973 ( -3.784 -0.000 0.000) 3.784 8.118 ( 3.097 0.000 0.000) 3.097 8.302 ( 8.942 0.000 0.000) 8.942 8.484 ( -0.577 -0.000 0.000) 0.577 8.507 ( -4.931 -0.000 0.000) 4.931 8.631 ( -3.814 -0.000 0.000) 3.814 8.985 ( -12.343 -0.000 0.000) 12.343 9.143 ( -0.905 -0.000 0.000) 0.905 9.412 ( -1.886 -0.000 0.000) 1.886 9.441 ( 5.090 0.000 0.000) 5.090 9.947 ( -8.898 -0.000 0.000) 8.898 10.106 ( 1.565 0.000 0.000) 1.565 10.225 ( -4.936 -0.000 0.000) 4.936 10.567 ( 1.359 0.000 0.000) 1.359 10.820 ( -9.935 -0.000 0.000) 9.935 10.861 ( -2.649 -0.000 0.000) 2.649 11.145 ( -0.349 -0.000 0.000) 0.349 11.385 ( -8.643 -0.000 0.000) 8.643 11.455 ( 6.228 0.000 0.000) 6.228 11.689 ( 8.700 0.000 0.000) 8.700 11.866 ( -0.133 -0.000 0.000) 0.133 12.050 ( 6.182 0.000 0.000) 6.182 12.856 ( -0.239 -0.000 0.000) 0.239 13.060 ( -17.358 -0.000 0.000) 17.358 13.187 ( 4.572 0.000 0.000) 4.572 13.685 ( -0.387 -0.000 0.000) 0.387 13.733 ( -7.715 -0.000 0.000) 7.715 13.735 ( -4.530 -0.000 0.000) 4.530 14.290 ( 2.611 0.000 0.000) 2.611 14.636 ( 5.830 0.000 0.000) 5.830 14.665 ( -4.149 -0.000 0.000) 4.149 15.157 ( -0.293 -0.000 0.000) 0.293 15.809 ( 4.941 0.000 0.000) 4.941 16.317 ( 4.274 0.000 0.000) 4.274 16.331 ( 6.730 0.000 0.000) 6.730 17.023 ( 0.884 0.000 0.000) 0.884 17.040 ( 0.698 0.000 0.000) 0.698 18.307 ( -1.092 -0.000 0.000) 1.092 18.495 ( -0.258 -0.000 0.000) 0.258 19.333 ( 17.159 0.000 0.000) 17.159 19.545 ( 17.877 0.000 0.000) 17.877 20.175 ( -25.477 -0.000 0.000) 25.477 20.377 ( -20.899 -0.000 0.000) 20.899 22.454 ( 4.718 0.000 0.000) 4.718 22.508 ( 4.637 0.000 0.000) 4.637 ======================= Grid point 43 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 2.647 0.000) 2.647 1.285 ( -0.000 -1.683 0.000) 1.683 1.345 ( 0.000 7.920 0.000) 7.920 1.412 ( 0.000 10.311 0.000) 10.311 1.454 ( -0.000 -2.368 0.000) 2.368 1.465 ( -0.000 -2.100 0.000) 2.100 1.569 ( -0.000 -2.490 0.000) 2.490 1.732 ( -0.000 -7.357 0.000) 7.357 1.748 ( 0.000 0.793 0.000) 0.793 1.788 ( 0.000 1.706 0.000) 1.706 1.820 ( -0.000 -1.533 0.000) 1.533 1.839 ( 0.000 1.708 0.000) 1.708 2.173 ( 0.000 0.865 0.000) 0.865 2.267 ( 0.000 10.629 0.000) 10.629 2.405 ( -0.000 -0.363 0.000) 0.363 2.436 ( -0.000 -5.690 0.000) 5.690 2.455 ( -0.000 -0.406 0.000) 0.406 2.613 ( -0.000 -4.002 0.000) 4.002 2.633 ( 0.000 7.317 0.000) 7.317 2.700 ( 0.000 5.918 0.000) 5.918 2.777 ( -0.000 -2.574 0.000) 2.574 2.817 ( 0.000 0.115 0.000) 0.115 2.830 ( -0.000 -1.633 0.000) 1.633 3.011 ( -0.000 -1.492 0.000) 1.492 3.065 ( -0.000 -6.611 0.000) 6.611 3.109 ( -0.000 -6.484 0.000) 6.484 3.124 ( 0.000 9.191 0.000) 9.191 3.156 ( 0.000 0.530 0.000) 0.530 3.316 ( 0.000 7.542 0.000) 7.542 3.331 ( 0.000 25.693 0.000) 25.693 3.538 ( 0.000 0.181 0.000) 0.181 3.548 ( -0.000 -5.312 0.000) 5.312 3.765 ( -0.000 -0.461 0.000) 0.461 3.827 ( -0.000 -21.238 0.000) 21.238 3.993 ( -0.000 -0.528 0.000) 0.528 4.073 ( -0.000 -0.798 0.000) 0.798 4.111 ( -0.000 -6.671 0.000) 6.671 4.159 ( -0.000 -1.226 0.000) 1.226 4.624 ( -0.000 -1.248 0.000) 1.248 4.711 ( 0.000 3.792 0.000) 3.792 4.951 ( -0.000 -0.531 0.000) 0.531 5.081 ( -0.000 -5.275 0.000) 5.275 5.102 ( -0.000 -0.122 0.000) 0.122 5.203 ( 0.000 0.914 0.000) 0.914 5.271 ( -0.000 -1.424 0.000) 1.424 5.343 ( -0.000 -0.315 0.000) 0.315 5.891 ( 0.000 1.752 0.000) 1.752 6.071 ( 0.000 0.140 0.000) 0.140 6.109 ( 0.000 1.503 0.000) 1.503 6.145 ( 0.000 1.437 0.000) 1.437 6.152 ( 0.000 1.860 0.000) 1.860 6.236 ( -0.000 -0.171 0.000) 0.171 6.789 ( 0.000 0.204 0.000) 0.204 7.383 ( 0.000 1.458 0.000) 1.458 7.601 ( -0.000 -0.071 0.000) 0.071 7.636 ( -0.000 -4.053 0.000) 4.053 7.881 ( 0.000 0.062 0.000) 0.062 7.931 ( 0.000 0.042 0.000) 0.042 8.140 ( 0.000 2.307 0.000) 2.307 8.408 ( 0.000 0.687 0.000) 0.687 8.455 ( -0.000 -3.679 0.000) 3.679 8.480 ( 0.000 0.029 0.000) 0.029 8.610 ( -0.000 -2.775 0.000) 2.775 8.859 ( 0.000 0.112 0.000) 0.112 9.140 ( -0.000 -1.147 0.000) 1.147 9.392 ( 0.000 0.025 0.000) 0.025 9.490 ( 0.000 0.633 0.000) 0.633 9.858 ( -0.000 -0.189 0.000) 0.189 10.118 ( 0.000 1.112 0.000) 1.112 10.172 ( -0.000 -0.141 0.000) 0.141 10.579 ( 0.000 1.594 0.000) 1.594 10.720 ( 0.000 0.085 0.000) 0.085 10.845 ( -0.000 -1.247 0.000) 1.247 11.139 ( 0.000 0.010 0.000) 0.010 11.299 ( -0.000 -0.135 0.000) 0.135 11.533 ( -0.000 -2.762 0.000) 2.762 11.788 ( -0.000 -2.722 0.000) 2.722 11.867 ( 0.000 0.169 0.000) 0.169 12.118 ( 0.000 1.121 0.000) 1.121 12.842 ( -0.000 -1.196 0.000) 1.196 12.882 ( -0.000 -1.192 0.000) 1.192 13.226 ( 0.000 2.509 0.000) 2.509 13.648 ( 0.000 1.071 0.000) 1.071 13.681 ( 0.000 1.086 0.000) 1.086 13.686 ( 0.000 2.388 0.000) 2.388 14.318 ( -0.000 -0.801 0.000) 0.801 14.629 ( -0.000 -0.688 0.000) 0.688 14.703 ( -0.000 -1.691 0.000) 1.691 15.152 ( 0.000 0.497 0.000) 0.497 15.858 ( -0.000 -0.990 0.000) 0.990 16.356 ( 0.000 0.417 0.000) 0.417 16.398 ( 0.000 0.414 0.000) 0.414 17.032 ( -0.000 -0.180 0.000) 0.180 17.046 ( 0.000 0.217 0.000) 0.217 18.296 ( 0.000 0.260 0.000) 0.260 18.489 ( 0.000 0.942 0.000) 0.942 19.614 ( 0.000 3.345 0.000) 3.345 19.797 ( 0.000 0.034 0.000) 0.034 19.799 ( 0.000 0.043 0.000) 0.043 20.099 ( -0.000 -1.230 0.000) 1.230 22.491 ( 0.000 1.496 0.000) 1.496 22.564 ( -0.000 -2.737 0.000) 2.737 ======================= Grid point 85 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 0.000 0.000 20.177) 20.177 0.495 ( 0.000 0.000 26.763) 26.763 0.738 ( 0.000 0.000 37.780) 37.780 0.971 ( 0.000 0.000 -11.193) 11.193 1.430 ( 0.000 0.000 -17.337) 17.337 1.448 ( 0.000 0.000 7.344) 7.344 1.692 ( 0.000 0.000 -4.391) 4.391 1.748 ( 0.000 0.000 0.447) 0.447 1.795 ( 0.000 0.000 1.570) 1.570 1.822 ( 0.000 0.000 0.720) 0.720 1.944 ( 0.000 0.000 -13.025) 13.025 1.980 ( 0.000 0.000 0.795) 0.795 1.989 ( 0.000 0.000 1.115) 1.115 2.036 ( 0.000 0.000 -12.158) 12.158 2.103 ( 0.000 0.000 0.221) 0.221 2.105 ( 0.000 0.000 0.754) 0.754 2.158 ( 0.000 0.000 11.297) 11.297 2.423 ( 0.000 0.000 -2.120) 2.120 2.580 ( 0.000 0.000 -3.559) 3.559 2.622 ( 0.000 0.000 -7.158) 7.158 2.635 ( 0.000 0.000 3.770) 3.770 2.765 ( 0.000 0.000 -3.117) 3.117 2.952 ( 0.000 0.000 5.266) 5.266 3.007 ( 0.000 0.000 -0.842) 0.842 3.034 ( 0.000 0.000 -2.620) 2.620 3.148 ( 0.000 0.000 -0.572) 0.572 3.299 ( 0.000 0.000 -10.045) 10.045 3.306 ( 0.000 0.000 -4.517) 4.517 3.468 ( 0.000 0.000 16.443) 16.443 3.531 ( 0.000 0.000 5.725) 5.725 3.656 ( 0.000 0.000 2.101) 2.101 3.786 ( 0.000 0.000 1.436) 1.436 3.873 ( 0.000 0.000 1.244) 1.244 4.072 ( 0.000 0.000 1.798) 1.798 4.080 ( 0.000 0.000 -8.615) 8.615 4.187 ( 0.000 0.000 -3.034) 3.034 4.214 ( 0.000 0.000 7.231) 7.231 4.437 ( 0.000 0.000 -3.279) 3.279 4.608 ( 0.000 0.000 2.636) 2.636 4.723 ( 0.000 0.000 -2.593) 2.593 5.009 ( 0.000 0.000 0.257) 0.257 5.015 ( 0.000 0.000 0.031) 0.031 5.154 ( 0.000 0.000 1.929) 1.929 5.257 ( 0.000 0.000 -1.860) 1.860 5.349 ( 0.000 0.000 1.645) 1.645 5.452 ( 0.000 0.000 -3.613) 3.613 5.796 ( 0.000 0.000 0.947) 0.947 5.799 ( 0.000 0.000 0.327) 0.327 5.854 ( 0.000 0.000 1.952) 1.952 5.899 ( 0.000 0.000 -0.179) 0.179 6.285 ( 0.000 0.000 8.966) 8.966 6.309 ( 0.000 0.000 10.454) 10.454 6.730 ( 0.000 0.000 -11.135) 11.135 6.929 ( 0.000 0.000 -18.421) 18.421 7.879 ( 0.000 0.000 0.625) 0.625 7.915 ( 0.000 0.000 -1.056) 1.056 8.030 ( 0.000 0.000 3.081) 3.081 8.219 ( 0.000 0.000 -5.656) 5.656 8.222 ( 0.000 0.000 15.628) 15.628 8.409 ( 0.000 0.000 10.412) 10.412 8.721 ( 0.000 0.000 -6.169) 6.169 8.786 ( 0.000 0.000 -6.404) 6.404 9.010 ( 0.000 0.000 0.697) 0.697 9.269 ( 0.000 0.000 -7.576) 7.576 9.271 ( 0.000 0.000 8.731) 8.731 9.431 ( 0.000 0.000 4.775) 4.775 9.511 ( 0.000 0.000 -3.336) 3.336 9.751 ( 0.000 0.000 -10.826) 10.826 10.063 ( 0.000 0.000 1.676) 1.676 10.140 ( 0.000 0.000 -1.734) 1.734 10.317 ( 0.000 0.000 10.261) 10.261 10.647 ( 0.000 0.000 -6.300) 6.300 10.805 ( 0.000 0.000 7.209) 7.209 11.153 ( 0.000 0.000 -9.304) 9.304 11.175 ( 0.000 0.000 3.533) 3.533 11.297 ( 0.000 0.000 -2.091) 2.091 11.510 ( 0.000 0.000 7.149) 7.149 11.738 ( 0.000 0.000 -3.969) 3.969 12.696 ( 0.000 0.000 5.165) 5.165 12.925 ( 0.000 0.000 -4.884) 4.884 13.062 ( 0.000 0.000 0.636) 0.636 13.092 ( 0.000 0.000 -0.656) 0.656 13.455 ( 0.000 0.000 0.474) 0.474 13.476 ( 0.000 0.000 -0.425) 0.425 13.860 ( 0.000 0.000 1.262) 1.262 13.926 ( 0.000 0.000 -1.502) 1.502 14.738 ( 0.000 0.000 5.427) 5.427 14.991 ( 0.000 0.000 -5.742) 5.742 15.755 ( 0.000 0.000 1.041) 1.041 15.786 ( 0.000 0.000 -0.425) 0.425 16.646 ( 0.000 0.000 1.963) 1.963 16.740 ( 0.000 0.000 -2.228) 2.228 17.010 ( 0.000 0.000 0.987) 0.987 17.042 ( 0.000 0.000 -0.502) 0.502 18.310 ( 0.000 0.000 0.226) 0.226 18.320 ( 0.000 0.000 -0.187) 0.187 18.891 ( 0.000 0.000 0.521) 0.521 18.916 ( 0.000 0.000 -0.558) 0.558 19.792 ( 0.000 0.000 0.019) 0.019 19.793 ( 0.000 0.000 -0.016) 0.016 22.807 ( 0.000 0.000 0.974) 0.974 22.851 ( 0.000 0.000 -0.948) 0.948 ======================= Grid point 86 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 14.569 -4.008 17.003) 22.747 0.677 ( 15.011 -8.491 15.928) 23.476 1.158 ( 24.536 -10.819 9.964) 28.607 1.177 ( 16.169 -5.300 -8.157) 18.869 1.435 ( 5.729 -0.126 -9.178) 10.820 1.542 ( 8.135 0.303 7.924) 11.361 1.672 ( -3.297 0.752 0.579) 3.431 1.681 ( -0.884 -0.203 0.389) 0.987 1.746 ( 3.620 1.762 -0.379) 4.044 1.836 ( 2.359 0.803 0.685) 2.584 1.947 ( 0.923 1.190 -4.909) 5.135 2.042 ( 3.518 -4.269 -7.191) 9.073 2.075 ( -0.306 1.190 6.442) 6.558 2.167 ( 7.409 -0.579 0.829) 7.478 2.180 ( 7.080 -0.814 2.080) 7.424 2.234 ( 12.157 1.922 -3.420) 12.774 2.277 ( 9.109 0.418 -1.095) 9.184 2.436 ( 2.369 -0.923 -4.178) 4.891 2.527 ( -6.044 3.670 8.227) 10.848 2.602 ( -0.547 -4.126 -1.028) 4.288 2.666 ( 1.798 -1.678 -4.474) 5.106 2.765 ( 7.290 -2.381 3.146) 8.289 2.898 ( -4.280 -0.103 -7.569) 8.696 2.917 ( 13.695 -0.465 -4.809) 14.523 3.176 ( 0.810 4.626 -3.427) 5.814 3.181 ( 1.405 2.020 -3.296) 4.114 3.333 ( 1.401 5.227 -4.068) 6.770 3.374 ( 2.050 1.097 -5.742) 6.195 3.496 ( 2.860 2.986 13.250) 13.881 3.650 ( 8.191 4.903 2.871) 9.969 3.671 ( -7.347 5.032 2.168) 9.165 3.722 ( 5.824 -1.293 0.774) 6.015 3.890 ( 3.807 -1.585 0.189) 4.128 4.011 ( 3.249 6.032 5.058) 8.516 4.074 ( 0.456 0.492 -0.432) 0.798 4.272 ( 4.290 -0.852 3.845) 5.824 4.336 ( 0.558 -0.933 -9.684) 9.744 4.458 ( 1.456 -1.179 -3.917) 4.342 4.609 ( 3.054 2.054 -0.294) 3.692 4.696 ( -4.775 -1.590 -4.931) 7.045 4.971 ( -4.019 0.245 0.370) 4.044 5.002 ( -3.645 -3.992 -1.373) 5.578 5.206 ( 5.037 0.920 2.954) 5.911 5.333 ( 8.597 2.941 -1.415) 9.196 5.450 ( 3.728 -1.169 -4.848) 6.226 5.456 ( 3.279 -1.572 -4.280) 5.616 5.799 ( -0.576 -0.402 3.722) 3.787 5.856 ( 1.816 -2.384 4.638) 5.522 5.919 ( 6.154 -0.652 -2.950) 6.856 5.922 ( 5.786 -1.891 -1.584) 6.290 6.334 ( 3.269 0.549 10.214) 10.738 6.382 ( 8.798 0.146 7.898) 11.824 6.772 ( 4.150 0.533 -9.553) 10.429 6.939 ( 0.326 -1.777 -17.768) 17.860 7.738 ( -17.331 4.412 9.557) 20.277 7.849 ( -9.046 1.887 -5.803) 10.912 8.021 ( -6.500 1.155 15.659) 16.994 8.053 ( 3.038 1.309 5.655) 6.552 8.228 ( 4.891 2.029 5.594) 7.702 8.346 ( -7.349 -0.290 0.656) 7.384 8.631 ( -3.303 1.373 6.353) 7.291 8.705 ( -1.248 0.138 -3.814) 4.015 8.989 ( 0.504 2.663 0.316) 2.728 9.160 ( -1.460 9.457 3.155) 10.075 9.235 ( -4.558 -0.116 -4.141) 6.159 9.357 ( 1.882 1.228 -4.652) 5.166 9.682 ( 8.204 7.696 -2.154) 11.453 9.818 ( 3.643 -0.738 -7.157) 8.065 10.013 ( 8.200 10.101 7.915) 15.229 10.294 ( 0.365 -10.639 -5.943) 12.192 10.421 ( 8.406 1.087 6.355) 10.594 10.650 ( -1.837 -8.705 0.242) 8.900 10.865 ( 6.095 -2.915 3.343) 7.539 11.138 ( -2.688 -2.132 -7.103) 7.888 11.329 ( 4.624 -0.346 0.828) 4.710 11.399 ( 9.070 -4.072 -3.761) 10.630 11.529 ( -1.403 -7.918 0.709) 8.072 11.738 ( -0.999 -3.345 -4.589) 5.766 12.658 ( -2.395 8.531 6.985) 11.283 12.895 ( -2.694 1.626 -4.649) 5.614 12.975 ( -17.625 -3.036 19.365) 26.360 13.160 ( 8.790 0.377 0.435) 8.809 13.197 ( 10.445 0.602 1.055) 10.515 13.468 ( -1.674 -3.948 -6.013) 7.385 13.891 ( 2.211 3.178 4.617) 6.025 14.268 ( 11.760 0.805 -20.385) 23.548 14.751 ( 1.363 -0.034 4.724) 4.917 15.018 ( 3.042 2.713 -6.321) 7.521 15.493 ( -12.119 11.211 16.255) 23.169 15.692 ( -11.395 -4.597 -0.797) 12.313 16.393 ( -10.981 4.130 9.454) 15.067 16.517 ( -9.378 4.052 0.205) 10.218 17.000 ( -0.844 -0.270 0.721) 1.143 17.033 ( -0.857 0.089 -0.633) 1.070 18.296 ( 0.908 0.528 1.559) 1.880 18.332 ( 1.639 -1.270 -0.361) 2.104 18.866 ( -5.620 -6.762 1.297) 8.888 18.957 ( -9.988 -19.078 -3.336) 21.791 20.056 ( 24.107 -0.951 2.557) 24.260 20.414 ( 33.888 -0.011 -23.773) 41.395 22.603 ( -13.829 3.939 9.745) 17.371 22.710 ( -8.949 1.564 -0.123) 9.085 ======================= Grid point 87 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 15.514 -6.781 10.438) 19.890 1.019 ( 12.760 -10.076 10.130) 19.156 1.399 ( 7.990 -2.289 -10.084) 13.068 1.437 ( 5.908 -0.847 -9.609) 11.312 1.596 ( 1.296 0.495 1.931) 2.378 1.651 ( 1.253 0.007 -1.751) 2.153 1.775 ( 1.845 0.842 4.710) 5.128 1.822 ( 7.129 -1.788 1.997) 7.616 1.866 ( 10.380 0.759 -1.865) 10.573 1.924 ( 12.137 -4.663 4.317) 13.700 1.960 ( 7.888 -5.061 0.973) 9.422 2.074 ( 1.872 2.147 1.786) 3.363 2.171 ( 4.322 -2.861 -4.138) 6.633 2.201 ( -3.705 1.503 -1.417) 4.242 2.308 ( 6.727 -0.093 1.298) 6.852 2.359 ( 5.154 2.436 0.480) 5.721 2.395 ( 6.786 -1.565 3.273) 7.695 2.457 ( 2.142 2.642 0.725) 3.478 2.562 ( -4.615 2.893 -0.866) 5.515 2.604 ( 7.009 -0.427 -2.672) 7.513 2.779 ( 7.139 -11.625 0.440) 13.649 2.831 ( -0.332 -6.350 0.224) 6.363 2.974 ( -1.556 3.599 -1.109) 4.075 3.078 ( 7.219 -4.888 -5.579) 10.351 3.212 ( -2.239 3.524 1.067) 4.309 3.310 ( 2.428 1.366 -4.193) 5.034 3.380 ( 12.274 0.315 -2.681) 12.567 3.423 ( 14.018 1.631 -2.950) 14.417 3.484 ( 2.143 5.999 0.140) 6.372 3.529 ( 3.275 2.497 1.877) 4.526 3.745 ( 6.999 3.183 5.404) 9.398 3.860 ( 5.270 0.518 2.380) 5.806 3.944 ( 2.267 2.132 -0.742) 3.199 4.080 ( 7.699 4.222 10.032) 13.331 4.127 ( 7.540 3.688 0.322) 8.400 4.268 ( -3.811 -0.602 -6.591) 7.637 4.334 ( 0.551 0.176 -0.816) 1.001 4.494 ( 0.550 -1.064 -4.702) 4.852 4.614 ( -1.887 2.304 -0.016) 2.979 4.655 ( 3.906 5.168 -2.144) 6.824 4.881 ( -3.996 1.091 0.710) 4.202 4.934 ( -4.676 -0.151 -2.202) 5.170 5.286 ( 3.736 2.294 4.677) 6.410 5.457 ( -1.074 -2.380 -2.203) 3.416 5.495 ( 9.768 3.843 -2.279) 10.741 5.557 ( 2.415 -4.322 -3.391) 6.001 5.798 ( -0.843 -1.872 4.550) 4.992 5.907 ( 6.155 4.587 -0.401) 7.687 6.082 ( 8.345 -4.741 -0.643) 9.619 6.103 ( 8.997 -3.474 -0.355) 9.651 6.434 ( 7.704 0.232 8.034) 11.133 6.550 ( 7.781 0.154 7.303) 10.672 6.833 ( 1.501 0.689 -5.416) 5.662 6.960 ( -0.638 -1.680 -15.035) 15.142 7.380 ( -14.462 2.379 9.770) 17.615 7.577 ( -15.191 2.436 -6.696) 16.779 7.941 ( -4.223 -0.972 2.812) 5.166 8.108 ( 1.904 2.203 9.208) 9.658 8.163 ( -8.770 -0.203 -2.555) 9.137 8.379 ( 9.545 2.294 8.941) 13.278 8.603 ( 1.001 3.839 -2.243) 4.557 8.706 ( 1.872 -1.020 -0.638) 2.225 8.964 ( -3.917 -3.236 -2.761) 5.782 9.103 ( 0.227 4.817 -1.433) 5.031 9.146 ( -0.665 4.787 3.126) 5.756 9.416 ( 5.001 2.370 -6.554) 8.578 9.743 ( 3.605 2.241 -0.639) 4.293 9.881 ( 1.590 -4.190 -3.378) 5.612 10.116 ( 7.731 4.832 4.714) 10.264 10.365 ( 2.820 -2.103 -5.590) 6.605 10.567 ( 6.007 -0.801 10.019) 11.709 10.739 ( 3.993 -8.923 2.259) 10.033 11.044 ( 9.655 2.232 -2.511) 10.223 11.113 ( 1.542 -0.215 -5.682) 5.891 11.331 ( -3.670 -1.913 5.637) 6.993 11.501 ( -7.441 -7.595 -5.013) 11.755 11.639 ( 11.891 0.061 2.809) 12.218 11.806 ( 6.687 -1.173 -4.656) 8.232 12.452 ( -7.510 12.317 12.103) 18.830 12.785 ( -5.287 8.096 -5.557) 11.152 12.871 ( -4.108 -10.196 8.554) 13.928 13.279 ( -1.410 -3.694 -7.886) 8.821 13.482 ( 19.431 0.472 1.109) 19.469 13.576 ( 11.609 -5.599 -4.993) 13.822 13.923 ( 1.865 -3.608 9.057) 9.926 14.321 ( 0.088 5.442 -11.013) 12.285 14.767 ( 1.058 2.724 0.838) 3.040 15.003 ( -0.582 8.226 -5.748) 10.053 15.306 ( -2.778 2.628 10.786) 11.444 15.501 ( -11.203 -3.718 -0.507) 11.814 16.239 ( -6.047 1.119 3.136) 6.903 16.315 ( -8.427 3.179 -0.479) 9.019 16.983 ( -1.349 -0.564 0.561) 1.566 17.011 ( -1.364 0.169 -0.648) 1.519 18.333 ( 2.907 -0.223 1.235) 3.167 18.389 ( 3.085 -1.596 -1.232) 3.685 18.799 ( -7.139 -6.150 2.054) 9.644 18.893 ( -9.338 -10.335 -2.098) 14.086 20.570 ( 27.764 -1.522 4.224) 28.125 20.893 ( 21.908 1.927 -11.897) 25.005 22.359 ( -11.325 1.005 5.437) 12.603 22.483 ( -13.255 1.550 -1.255) 13.404 ======================= Grid point 88 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 10.676 -5.069 8.190) 14.378 1.297 ( 8.530 -7.020 4.637) 11.981 1.499 ( 3.141 1.755 -3.945) 5.339 1.560 ( 4.835 -2.676 -4.674) 7.238 1.627 ( 2.413 0.602 0.653) 2.571 1.686 ( 0.595 -0.848 -2.575) 2.776 1.803 ( 2.270 -0.655 3.959) 4.610 1.880 ( 1.799 0.642 3.591) 4.068 1.912 ( 0.151 0.666 0.182) 0.707 2.025 ( -0.425 -2.257 2.082) 3.100 2.094 ( 3.784 0.896 -5.305) 6.577 2.108 ( 2.687 1.257 -2.223) 3.707 2.235 ( 1.595 -0.569 -2.013) 2.631 2.278 ( 1.695 -3.079 -2.492) 4.309 2.362 ( -0.675 -4.289 0.357) 4.356 2.429 ( 0.830 0.191 -1.278) 1.536 2.467 ( 3.334 5.505 -0.222) 6.440 2.485 ( 2.279 -0.762 -2.392) 3.390 2.626 ( 7.932 1.460 -0.050) 8.065 2.657 ( 1.442 6.661 -1.493) 6.976 2.834 ( -0.499 -0.633 3.203) 3.303 2.877 ( -4.899 -3.076 -0.709) 5.828 3.016 ( 5.744 -9.804 7.549) 13.642 3.177 ( 0.973 -3.016 2.066) 3.783 3.261 ( 3.462 -4.357 -2.140) 5.962 3.336 ( 3.864 0.320 -0.641) 3.930 3.421 ( 4.672 -6.068 2.629) 8.097 3.503 ( 5.637 2.154 -7.936) 9.970 3.716 ( 9.654 2.081 -0.050) 9.875 3.766 ( 6.657 -0.415 0.879) 6.727 3.815 ( 6.292 5.339 4.057) 9.196 3.883 ( -0.155 1.236 0.641) 1.401 4.020 ( 4.892 4.445 2.186) 6.962 4.126 ( 1.355 -0.181 0.634) 1.506 4.253 ( 3.651 2.466 1.054) 4.530 4.315 ( 5.150 2.766 -1.308) 5.991 4.397 ( 15.215 2.831 -4.454) 16.104 4.497 ( 2.977 2.943 -4.915) 6.456 4.600 ( 0.964 2.320 0.910) 2.672 4.646 ( 2.069 6.484 -3.097) 7.478 4.844 ( -0.211 -3.592 1.709) 3.983 4.884 ( -0.831 -2.574 -0.932) 2.861 5.271 ( -2.404 4.378 4.751) 6.893 5.420 ( -3.251 1.204 -4.226) 5.466 5.588 ( 1.433 -4.804 4.995) 7.077 5.699 ( 8.586 -0.272 -0.362) 8.598 5.788 ( -1.112 -0.942 6.102) 6.273 6.005 ( 7.703 3.723 -5.410) 10.123 6.268 ( 6.181 -0.059 0.237) 6.186 6.288 ( 9.431 -2.549 -0.931) 9.813 6.578 ( -0.296 0.917 6.418) 6.490 6.604 ( 3.306 -0.577 5.264) 6.243 6.762 ( -9.450 -2.180 -0.317) 9.704 6.910 ( -3.571 0.492 -9.654) 10.305 7.228 ( -0.961 0.421 0.276) 1.085 7.349 ( -6.894 0.067 -7.054) 9.863 7.871 ( -3.754 -0.524 -0.894) 3.894 7.960 ( -7.793 1.562 -4.712) 9.240 8.181 ( 3.168 0.009 13.095) 13.473 8.428 ( -1.718 3.224 14.680) 15.128 8.645 ( 6.644 4.586 -7.895) 11.292 8.786 ( 5.352 0.381 -5.448) 7.646 8.902 ( -4.986 -3.321 -4.163) 7.295 9.032 ( -5.099 -2.981 -6.394) 8.705 9.191 ( 8.475 6.275 10.741) 15.052 9.472 ( 1.769 1.122 -2.873) 3.556 9.793 ( 3.737 1.497 -2.284) 4.628 9.940 ( 0.190 -4.182 -5.291) 6.747 10.212 ( 6.095 1.453 5.911) 8.614 10.458 ( 4.405 -2.350 -4.464) 6.697 10.631 ( 0.932 -2.185 9.194) 9.496 10.913 ( 4.372 -5.903 -2.737) 7.839 11.080 ( 3.592 1.768 1.924) 4.442 11.224 ( -0.694 -2.029 4.484) 4.970 11.337 ( 1.973 1.211 -5.326) 5.807 11.389 ( 0.317 0.039 -2.718) 2.737 11.826 ( 6.818 1.747 3.894) 8.044 11.958 ( 7.177 -0.777 -1.671) 7.410 12.245 ( -4.478 6.455 9.315) 12.185 12.569 ( -9.079 10.523 -6.192) 15.216 12.905 ( 0.443 -5.346 3.666) 6.497 13.209 ( -10.641 -10.414 -9.854) 17.855 13.832 ( 14.442 -0.026 4.226) 15.047 13.915 ( 19.947 -1.373 -0.528) 20.001 14.066 ( 11.015 -4.492 3.590) 12.426 14.253 ( -2.922 2.605 -3.085) 4.985 14.749 ( -0.085 2.990 -2.220) 3.725 14.888 ( -3.807 6.794 -4.363) 8.927 15.263 ( -2.238 0.473 4.468) 5.020 15.348 ( -8.352 -1.870 0.820) 8.598 16.121 ( -5.265 1.430 1.136) 5.572 16.153 ( -6.601 2.063 -0.204) 6.919 16.963 ( -1.251 -0.704 0.368) 1.482 16.983 ( -1.357 0.360 -0.496) 1.489 18.401 ( 4.148 -0.057 1.092) 4.289 18.467 ( 4.023 -0.954 -1.997) 4.591 18.709 ( -6.856 -4.054 2.480) 8.342 18.794 ( -8.145 -5.581 -1.456) 9.981 21.073 ( 24.758 -1.008 3.263) 24.993 21.260 ( 19.584 1.551 -5.152) 20.310 22.131 ( -13.159 0.146 2.313) 13.361 22.209 ( -15.005 0.685 -1.252) 15.072 ======================= Grid point 89 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 2.992 -2.906 3.076) 5.183 1.435 ( 3.048 -1.396 3.032) 4.520 1.535 ( 3.325 0.474 0.114) 3.360 1.610 ( -2.189 0.413 0.334) 2.252 1.660 ( 1.674 0.197 -1.101) 2.013 1.678 ( -0.224 -0.313 -0.297) 0.486 1.867 ( 2.094 -0.013 1.188) 2.408 1.891 ( 0.455 -1.278 1.406) 1.953 1.921 ( 0.971 -0.030 1.892) 2.127 1.981 ( -2.464 1.662 -0.060) 2.973 2.170 ( 4.411 0.734 -1.454) 4.702 2.187 ( 2.247 -6.076 -2.378) 6.901 2.234 ( -2.406 -0.283 -0.947) 2.601 2.267 ( -1.100 3.786 -1.802) 4.335 2.420 ( 1.926 -8.069 0.813) 8.336 2.454 ( 1.338 1.370 -0.118) 1.918 2.471 ( 3.852 3.063 1.154) 5.054 2.538 ( 0.347 -0.640 -3.416) 3.493 2.562 ( -3.206 5.911 1.913) 6.991 2.642 ( -3.084 3.911 1.949) 5.348 2.769 ( -0.490 -2.617 -7.870) 8.308 2.845 ( -3.262 0.997 -5.486) 6.461 3.204 ( 3.026 -5.697 3.818) 7.496 3.218 ( 2.403 2.050 2.797) 4.219 3.346 ( 4.016 -4.207 -1.493) 6.004 3.421 ( 1.612 1.064 -2.720) 3.336 3.599 ( 9.155 -6.314 5.108) 12.238 3.626 ( 1.643 -6.127 2.617) 6.862 3.707 ( -2.466 3.157 -1.092) 4.152 3.783 ( -4.858 1.613 8.019) 9.514 3.868 ( 4.794 2.002 -1.551) 5.422 3.931 ( 1.616 2.953 2.453) 4.165 4.077 ( 5.906 -4.551 0.580) 7.479 4.136 ( 1.750 1.918 -3.144) 4.077 4.215 ( -3.728 1.909 -0.668) 4.242 4.295 ( -3.530 9.128 -3.211) 10.300 4.502 ( 2.866 3.001 1.251) 4.334 4.552 ( -2.355 0.307 0.488) 2.424 4.685 ( 10.755 1.560 -3.734) 11.491 4.748 ( 2.708 -0.808 -6.262) 6.870 4.943 ( 5.262 -4.283 1.677) 6.989 4.998 ( 10.377 -4.927 -2.097) 11.677 5.154 ( -3.221 5.104 4.080) 7.285 5.301 ( -8.517 2.744 -5.115) 10.307 5.655 ( 2.745 -2.096 9.985) 10.565 5.724 ( -4.213 -1.835 9.758) 10.785 5.904 ( 11.061 -0.379 -1.836) 11.218 6.084 ( -1.070 1.664 -8.149) 8.386 6.295 ( -1.999 2.286 2.783) 4.118 6.334 ( -4.414 3.634 2.563) 6.265 6.509 ( 5.262 -0.929 1.102) 5.456 6.618 ( -8.460 -5.481 -1.613) 10.209 6.748 ( 6.886 -0.195 0.180) 6.891 6.850 ( -3.511 0.729 -5.132) 6.261 7.248 ( 1.992 0.463 -2.219) 3.017 7.281 ( -2.202 -0.566 -4.393) 4.946 7.825 ( -1.135 -0.392 -3.196) 3.414 7.847 ( -3.184 0.846 -4.439) 5.528 8.249 ( 3.784 -1.151 14.725) 15.247 8.340 ( -4.138 2.566 14.487) 15.284 8.723 ( 5.688 4.070 -5.918) 9.162 8.795 ( -4.899 -2.679 -6.056) 8.237 8.910 ( 4.970 2.942 -6.467) 8.670 8.972 ( -4.960 -4.371 -6.557) 9.311 9.324 ( 8.652 2.071 8.481) 12.291 9.443 ( -4.492 -0.302 3.366) 5.621 9.863 ( 5.063 1.802 -5.690) 7.827 9.933 ( -3.625 -2.156 -7.115) 8.271 10.339 ( 7.195 -1.585 7.882) 10.789 10.470 ( -4.521 0.756 5.844) 7.427 10.734 ( 8.056 -3.066 -2.758) 9.050 10.901 ( -6.538 -0.002 -7.301) 9.800 11.151 ( 0.512 -2.369 3.365) 4.147 11.201 ( -2.870 3.653 2.945) 5.500 11.334 ( 6.502 -7.898 3.999) 10.984 11.491 ( 1.758 8.440 -0.250) 8.625 11.887 ( 5.589 -0.186 0.566) 5.620 12.016 ( -2.875 0.419 -2.288) 3.698 12.225 ( 2.272 -2.046 4.231) 5.220 12.328 ( -6.158 7.964 -1.681) 10.206 12.976 ( 5.701 1.639 -1.024) 6.020 13.087 ( -10.299 -8.232 -5.776) 14.395 14.018 ( 7.159 -0.961 4.541) 8.532 14.133 ( -3.348 1.354 -0.254) 3.620 14.290 ( 11.987 0.201 1.723) 12.112 14.323 ( 8.542 -1.734 0.118) 8.717 14.731 ( 0.202 0.455 -3.920) 3.952 14.776 ( -4.214 1.407 -4.397) 6.251 15.201 ( -2.857 0.379 2.252) 3.657 15.219 ( -5.038 0.492 1.763) 5.360 16.039 ( -1.792 1.052 0.502) 2.138 16.049 ( -3.037 0.512 0.125) 3.082 16.952 ( -0.448 -0.703 0.086) 0.838 16.959 ( -0.648 0.571 -0.230) 0.894 18.484 ( 4.771 0.598 0.562) 4.841 18.535 ( 1.059 -0.331 -2.330) 2.581 18.633 ( -1.932 -1.393 2.513) 3.462 18.691 ( -6.295 -2.358 -0.626) 6.751 21.502 ( 20.716 -0.514 1.939) 20.813 21.600 ( 17.979 0.963 -2.363) 18.159 21.855 ( -16.630 0.197 1.453) 16.695 21.916 ( -16.359 -0.285 -1.250) 16.409 ======================= Grid point 95 (31/75) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 16.011 0.000 11.194) 19.536 0.928 ( 16.771 0.000 12.169) 20.721 1.374 ( 8.883 0.000 -10.583) 13.817 1.439 ( 6.330 0.000 -11.582) 13.199 1.600 ( 1.200 0.000 2.369) 2.655 1.653 ( 0.905 0.000 -1.391) 1.660 1.777 ( 2.903 0.000 3.872) 4.839 1.806 ( 8.767 0.000 2.574) 9.137 1.812 ( 26.910 0.000 8.343) 28.173 1.916 ( 3.376 0.000 2.360) 4.119 1.942 ( -1.579 -0.000 -2.563) 3.010 2.108 ( 3.180 0.000 1.288) 3.431 2.131 ( 6.198 0.000 -5.623) 8.369 2.218 ( -3.463 -0.000 -0.993) 3.602 2.313 ( 6.702 0.000 2.353) 7.103 2.367 ( 1.057 0.000 0.226) 1.081 2.379 ( 2.665 0.000 2.415) 3.597 2.548 ( 11.138 0.000 -6.263) 12.778 2.564 ( 7.814 0.000 3.123) 8.415 2.622 ( 4.886 0.000 -0.856) 4.961 2.641 ( -1.538 -0.000 -0.033) 1.538 2.736 ( -2.431 -0.000 1.681) 2.956 3.016 ( 11.333 0.000 -5.631) 12.654 3.045 ( -7.454 -0.000 -3.819) 8.376 3.256 ( -4.491 -0.000 -1.000) 4.601 3.321 ( 2.280 0.000 -4.776) 5.292 3.382 ( 11.898 0.000 -1.590) 12.004 3.434 ( 16.076 0.000 -3.748) 16.507 3.544 ( 0.920 0.000 -0.639) 1.120 3.545 ( -1.173 -0.000 3.651) 3.835 3.761 ( 6.758 0.000 8.139) 10.579 3.872 ( 4.170 0.000 -1.786) 4.537 3.976 ( 3.131 0.000 -3.638) 4.800 4.123 ( 6.830 0.000 14.604) 16.122 4.156 ( 9.072 0.000 -0.896) 9.116 4.239 ( -6.994 -0.000 -4.304) 8.212 4.343 ( 2.404 0.000 -1.046) 2.621 4.475 ( 1.077 0.000 -2.665) 2.875 4.638 ( -1.411 -0.000 -0.285) 1.440 4.692 ( 3.346 0.000 -2.172) 3.989 4.902 ( -4.624 -0.000 -0.318) 4.635 4.942 ( -2.078 -0.000 -3.490) 4.062 5.307 ( 4.345 0.000 5.552) 7.050 5.428 ( -0.729 -0.000 -1.126) 1.341 5.505 ( 0.489 0.000 -3.713) 3.745 5.546 ( 10.619 0.000 -4.283) 11.451 5.777 ( -1.336 -0.000 6.328) 6.467 5.947 ( 7.643 0.000 -1.000) 7.708 6.041 ( 7.838 0.000 -3.557) 8.608 6.071 ( 10.124 0.000 -1.043) 10.178 6.436 ( 7.430 0.000 8.211) 11.074 6.553 ( 7.687 0.000 7.621) 10.824 6.841 ( 1.318 0.000 -5.290) 5.451 6.944 ( 0.399 0.000 -15.071) 15.076 7.403 ( -16.179 -0.000 11.216) 19.686 7.599 ( -16.477 -0.000 -6.608) 17.753 7.931 ( -3.803 -0.000 3.155) 4.941 8.132 ( 3.626 0.000 11.304) 11.871 8.161 ( -10.487 -0.000 -4.124) 11.269 8.398 ( 9.346 0.000 9.489) 13.319 8.649 ( 3.194 0.000 3.700) 4.888 8.682 ( -0.054 -0.000 -6.672) 6.672 8.933 ( -5.238 -0.000 -1.794) 5.537 9.125 ( -6.365 -0.000 -7.497) 9.835 9.230 ( 4.523 0.000 7.481) 8.742 9.427 ( 3.183 0.000 -3.423) 4.675 9.753 ( 2.565 0.000 -3.330) 4.203 9.850 ( -0.376 -0.000 -8.627) 8.635 10.205 ( 3.698 0.000 5.890) 6.955 10.314 ( 6.717 0.000 -2.323) 7.107 10.563 ( -0.448 -0.000 8.784) 8.795 10.639 ( 12.032 0.000 3.290) 12.474 11.087 ( 15.131 0.000 -3.474) 15.525 11.089 ( -0.715 -0.000 -4.517) 4.573 11.351 ( -5.199 -0.000 2.637) 5.829 11.376 ( -3.847 -0.000 0.362) 3.864 11.640 ( 12.405 0.000 2.484) 12.651 11.796 ( 7.375 0.000 -4.781) 8.789 12.615 ( -14.545 -0.000 17.323) 22.619 12.726 ( 2.870 0.000 2.673) 3.922 12.880 ( -2.283 -0.000 -3.395) 4.092 13.234 ( -8.723 -0.000 -11.692) 14.588 13.491 ( 19.452 0.000 0.006) 19.452 13.519 ( 15.297 0.000 -3.376) 15.665 13.894 ( 1.306 0.000 12.361) 12.430 14.369 ( -1.581 -0.000 -11.560) 11.668 14.791 ( 1.639 0.000 0.625) 1.754 15.077 ( 0.301 0.000 -9.362) 9.366 15.353 ( -5.631 -0.000 10.349) 11.782 15.451 ( -11.093 -0.000 2.692) 11.415 16.250 ( -6.396 -0.000 4.180) 7.641 16.345 ( -9.595 -0.000 -0.512) 9.609 16.978 ( -1.319 -0.000 0.755) 1.520 17.013 ( -1.311 -0.000 -0.717) 1.495 18.333 ( 2.871 0.000 1.222) 3.120 18.374 ( 3.472 0.000 -0.657) 3.533 18.751 ( -5.507 -0.000 0.543) 5.534 18.781 ( -4.309 -0.000 -0.809) 4.384 20.557 ( 28.161 0.000 4.367) 28.498 20.910 ( 21.591 0.000 -13.850) 25.652 22.369 ( -12.295 -0.000 6.088) 13.720 22.497 ( -13.854 -0.000 -1.195) 13.905 ======================= Grid point 96 (32/75) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 13.064 -2.160 7.363) 15.151 1.225 ( 12.815 -2.008 6.815) 14.653 1.525 ( 6.799 -1.215 -6.381) 9.403 1.530 ( 3.953 1.333 -6.048) 7.347 1.636 ( 2.492 0.320 0.546) 2.571 1.680 ( 1.334 -0.053 -2.129) 2.513 1.792 ( 1.306 -0.489 3.936) 4.175 1.899 ( -0.283 1.166 0.538) 1.315 1.923 ( 1.552 1.206 3.153) 3.715 1.965 ( 2.425 -3.620 3.174) 5.391 2.106 ( -5.371 0.370 -2.166) 5.803 2.160 ( 3.918 3.548 -4.343) 6.841 2.206 ( 6.945 -3.352 -2.717) 8.176 2.213 ( 2.468 -1.963 -3.538) 4.739 2.330 ( -1.597 0.327 -0.124) 1.635 2.374 ( 1.641 -3.502 -3.012) 4.902 2.566 ( -0.266 7.401 1.745) 7.609 2.593 ( 8.269 5.903 1.608) 10.287 2.644 ( 11.835 2.584 4.172) 12.812 2.714 ( 1.695 -2.436 -0.912) 3.105 2.763 ( 2.526 -6.069 1.305) 6.702 2.850 ( 6.242 -3.201 -2.172) 7.343 2.906 ( -1.426 -0.401 5.029) 5.243 3.130 ( -3.647 -1.630 2.403) 4.661 3.210 ( 1.867 -0.556 -3.323) 3.852 3.251 ( 1.100 -5.422 -2.442) 6.047 3.419 ( 0.037 1.381 2.024) 2.451 3.550 ( 2.315 1.895 -9.418) 9.882 3.738 ( 10.767 0.542 0.231) 10.783 3.760 ( 7.049 -0.080 0.187) 7.052 3.876 ( 3.307 2.485 4.407) 6.044 3.900 ( 0.776 0.109 0.142) 0.796 4.075 ( 8.821 1.649 -0.882) 9.018 4.117 ( -2.415 -0.115 1.996) 3.135 4.238 ( 2.683 -2.450 7.038) 7.921 4.374 ( 3.765 3.881 0.241) 5.413 4.432 ( 19.881 1.047 -7.818) 21.388 4.499 ( 1.218 -1.668 -1.711) 2.681 4.638 ( 2.104 1.455 0.912) 2.716 4.733 ( 1.044 1.970 -2.081) 3.049 4.817 ( -3.448 -0.084 0.757) 3.531 4.876 ( -3.280 1.511 -3.239) 4.851 5.330 ( -1.370 2.271 5.846) 6.420 5.430 ( 0.212 0.132 -2.257) 2.270 5.517 ( 0.869 -2.748 5.047) 5.812 5.672 ( 0.480 -1.972 2.422) 3.160 5.809 ( 6.892 1.935 1.011) 7.229 6.038 ( 2.970 0.454 -9.113) 9.596 6.257 ( 13.755 -0.887 -0.139) 13.784 6.263 ( 9.157 -0.325 -0.639) 9.185 6.588 ( -1.613 0.471 7.512) 7.697 6.597 ( 5.130 -0.339 5.771) 7.729 6.747 ( -12.300 -0.161 0.174) 12.302 6.918 ( -2.590 0.345 -9.613) 9.962 7.235 ( -1.566 0.266 1.183) 1.981 7.350 ( -8.071 0.045 -6.569) 10.407 7.863 ( -3.514 -0.288 -0.976) 3.658 7.978 ( -8.280 0.513 -5.871) 10.164 8.189 ( 2.966 0.643 14.670) 14.981 8.469 ( -1.780 1.397 16.042) 16.201 8.711 ( 5.559 3.230 -4.662) 7.942 8.770 ( 5.368 -2.044 -9.284) 10.917 8.853 ( -2.308 -1.940 -3.314) 4.480 9.002 ( -6.699 -0.747 -6.963) 9.691 9.307 ( 6.179 6.308 9.029) 12.629 9.456 ( -0.934 -2.669 0.808) 2.941 9.820 ( 3.021 2.091 -6.983) 7.891 9.875 ( 3.695 -3.513 -6.794) 8.494 10.233 ( 0.740 0.783 7.821) 7.894 10.423 ( 4.624 -1.371 -2.916) 5.636 10.590 ( 1.621 -1.851 8.256) 8.615 10.843 ( 7.367 -2.214 -3.862) 8.607 11.123 ( 5.192 2.619 3.411) 6.742 11.220 ( -5.093 1.649 3.647) 6.478 11.288 ( -7.967 -5.409 -0.595) 9.648 11.388 ( 15.349 -0.199 -5.688) 16.371 11.855 ( 9.565 1.247 2.698) 10.016 11.949 ( 7.616 -0.205 -1.535) 7.772 12.333 ( -12.989 3.309 12.752) 18.500 12.772 ( -6.155 12.672 -5.029) 14.959 12.833 ( 6.391 -2.677 0.212) 6.932 13.022 ( -13.925 -11.674 -11.207) 21.349 13.836 ( 13.774 0.297 4.961) 14.643 13.894 ( 21.822 -0.862 -0.106) 21.839 14.008 ( 12.035 -1.996 5.434) 13.356 14.287 ( -5.177 1.209 -3.737) 6.499 14.788 ( -0.891 1.463 -2.143) 2.744 14.986 ( -7.087 3.687 -8.949) 11.996 15.277 ( -2.980 1.466 4.876) 5.899 15.312 ( -5.916 -2.343 3.108) 7.082 16.139 ( -5.325 0.614 1.625) 5.601 16.178 ( -7.789 0.864 -0.153) 7.838 16.955 ( -1.139 -0.219 0.697) 1.353 16.988 ( -1.191 0.198 -0.716) 1.403 18.402 ( 4.482 0.066 1.053) 4.605 18.455 ( 4.811 -0.401 -1.376) 5.020 18.658 ( -5.159 -1.631 1.514) 5.619 18.713 ( -5.008 -3.268 -0.962) 6.057 21.061 ( 25.293 -0.402 3.650) 25.558 21.278 ( 18.929 0.576 -6.247) 19.941 22.134 ( -13.406 0.082 2.658) 13.667 22.217 ( -15.741 0.263 -1.291) 15.796 ======================= Grid point 97 (33/75) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 5.796 -0.553 3.753) 6.928 1.419 ( 7.956 -1.111 4.461) 9.189 1.564 ( 2.152 2.417 -1.638) 3.627 1.623 ( 1.690 0.953 -1.480) 2.440 1.667 ( 0.814 0.578 -1.099) 1.485 1.680 ( 0.112 0.282 -0.436) 0.531 1.847 ( 2.828 -1.457 1.769) 3.640 1.889 ( 0.657 0.435 1.273) 1.497 1.915 ( -1.784 -0.568 3.316) 3.808 1.996 ( -3.206 -0.240 0.323) 3.231 2.075 ( 1.912 -5.150 1.660) 5.739 2.200 ( 2.227 1.905 -3.104) 4.269 2.222 ( -1.616 -0.667 -0.564) 1.837 2.297 ( 3.733 -1.549 -3.401) 5.282 2.315 ( 0.230 -3.028 0.119) 3.039 2.467 ( 0.335 -1.069 -8.186) 8.262 2.515 ( 2.219 4.519 1.304) 5.200 2.594 ( 0.848 5.145 -2.346) 5.718 2.648 ( -3.089 3.765 0.076) 4.870 2.712 ( -0.824 2.825 -1.509) 3.307 2.776 ( -3.525 1.851 -0.024) 3.982 2.864 ( -0.535 3.850 -0.729) 3.955 3.104 ( 10.152 -5.022 7.169) 13.405 3.187 ( 3.500 -4.443 0.547) 5.682 3.270 ( 2.602 -5.779 1.228) 6.455 3.403 ( 5.644 -10.805 0.183) 12.191 3.441 ( 2.472 -1.178 0.569) 2.797 3.602 ( 3.012 1.381 -5.334) 6.279 3.739 ( -3.402 1.127 0.807) 3.674 3.806 ( -1.986 2.001 5.613) 6.281 3.893 ( 0.457 -0.033 -3.107) 3.140 3.951 ( 4.900 -0.577 -2.038) 5.338 4.053 ( -2.047 0.835 2.750) 3.528 4.133 ( -2.475 -2.259 -2.745) 4.331 4.297 ( -5.189 7.423 5.762) 10.734 4.389 ( 6.053 2.804 2.218) 7.030 4.525 ( -1.936 -2.223 1.727) 3.416 4.614 ( -5.345 6.727 -2.348) 8.907 4.694 ( 3.101 0.007 -3.160) 4.427 4.761 ( 7.822 2.186 -4.483) 9.276 4.872 ( 1.993 -3.340 -1.391) 4.131 4.906 ( 11.896 -5.678 -4.574) 13.953 5.245 ( -2.845 4.854 4.754) 7.366 5.368 ( -5.648 4.799 -2.399) 7.790 5.593 ( 2.750 -4.506 10.189) 11.475 5.688 ( 1.086 -2.839 9.057) 9.554 5.929 ( 7.929 3.263 -4.207) 9.551 6.080 ( -0.640 -2.109 -9.403) 9.657 6.320 ( -7.383 0.989 3.405) 8.190 6.380 ( -10.466 1.495 4.975) 11.684 6.517 ( 13.179 1.587 -1.848) 13.403 6.545 ( -4.383 -3.128 -0.131) 5.387 6.747 ( 6.929 0.133 0.651) 6.961 6.864 ( -3.744 0.796 -5.215) 6.469 7.255 ( 2.089 0.309 -2.308) 3.128 7.272 ( -2.262 -0.477 -3.801) 4.449 7.817 ( -1.403 -0.405 -3.262) 3.573 7.860 ( -3.662 0.524 -5.323) 6.482 8.237 ( 2.621 -0.034 16.074) 16.287 8.382 ( -4.721 1.985 15.444) 16.271 8.729 ( -3.833 -1.484 -6.093) 7.349 8.811 ( 4.069 2.222 -2.892) 5.464 8.898 ( -5.537 -3.209 -7.618) 9.949 8.950 ( 6.462 1.296 -10.530) 12.422 9.356 ( 2.061 1.719 7.675) 8.131 9.441 ( -1.489 -0.115 4.951) 5.171 9.843 ( -0.408 -2.172 -6.120) 6.507 9.968 ( 4.816 4.218 -7.433) 9.810 10.258 ( 0.300 -5.991 9.255) 11.029 10.509 ( 2.647 1.504 0.201) 3.051 10.647 ( 3.199 -4.751 2.340) 6.187 10.917 ( -0.076 1.125 -7.807) 7.888 11.101 ( -3.713 -2.184 3.106) 5.311 11.182 ( -5.696 -4.683 -0.818) 7.419 11.291 ( 9.215 1.150 10.197) 13.792 11.623 ( 7.776 5.817 -5.091) 10.965 11.918 ( 1.879 4.153 2.924) 5.416 12.032 ( 0.034 1.224 -0.616) 1.370 12.160 ( -4.403 -5.391 6.817) 9.743 12.468 ( -13.355 8.353 -5.976) 16.848 12.948 ( -4.482 -8.029 -2.440) 9.513 13.006 ( 11.441 1.647 -3.716) 12.142 14.006 ( 6.995 -0.405 5.977) 9.210 14.155 ( -3.625 1.084 -0.659) 3.840 14.272 ( 10.562 -1.678 1.163) 10.758 14.280 ( 8.703 -2.516 0.348) 9.066 14.766 ( 1.894 3.204 -3.597) 5.176 14.836 ( -3.718 3.969 -6.322) 8.339 15.188 ( -5.839 -1.296 3.576) 6.968 15.226 ( -4.280 0.144 1.362) 4.494 16.053 ( -3.246 0.473 0.401) 3.305 16.054 ( -4.260 0.218 0.370) 4.282 16.943 ( -0.251 -0.304 0.517) 0.650 16.969 ( -0.436 0.522 -0.584) 0.897 18.493 ( 5.248 0.468 0.390) 5.283 18.529 ( -0.049 -0.339 -1.566) 1.603 18.610 ( 1.543 -1.207 1.707) 2.599 18.649 ( -4.004 -2.270 -0.366) 4.617 21.495 ( 21.077 -0.300 2.285) 21.203 21.613 ( 17.417 0.522 -2.899) 17.664 21.858 ( -16.342 0.154 1.347) 16.398 21.911 ( -17.132 -0.252 -1.052) 17.166 ======================= Grid point 98 (34/75) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.244 1.011 3.829) 3.968 1.506 ( 2.148 4.237 -0.201) 4.755 1.557 ( -3.973 3.110 1.724) 5.332 1.612 ( 3.561 0.699 1.590) 3.962 1.663 ( -1.693 0.455 -1.303) 2.184 1.689 ( 0.663 0.702 0.856) 1.290 1.855 ( -1.589 -0.960 1.833) 2.609 1.901 ( 0.479 -1.124 1.476) 1.916 1.917 ( -4.659 -0.901 0.531) 4.774 1.955 ( 3.689 -0.709 -0.322) 3.771 2.156 ( -3.100 -0.826 1.499) 3.541 2.170 ( 0.912 -3.599 1.049) 3.858 2.235 ( 0.857 -0.242 -1.703) 1.922 2.308 ( -0.226 4.746 -4.859) 6.796 2.387 ( -1.478 -4.208 -0.340) 4.473 2.445 ( 0.528 -3.261 -1.109) 3.484 2.480 ( -3.900 1.324 0.566) 4.157 2.558 ( 0.554 2.525 -1.386) 2.933 2.600 ( -0.341 5.746 2.246) 6.179 2.646 ( 1.030 6.597 0.074) 6.677 2.812 ( 5.746 -2.205 -6.837) 9.199 2.828 ( 0.776 3.378 -5.597) 6.583 3.163 ( -2.657 -2.414 3.968) 5.351 3.259 ( -0.660 -0.807 -2.052) 2.301 3.350 ( -1.561 -2.360 0.471) 2.869 3.440 ( -0.556 2.415 -2.900) 3.815 3.584 ( 0.976 -9.944 0.598) 10.009 3.663 ( -0.771 -2.034 -1.083) 2.430 3.702 ( -5.357 1.844 6.209) 8.405 3.724 ( 5.390 -1.779 6.256) 8.447 3.859 ( -4.026 1.664 2.094) 4.834 3.976 ( -4.279 7.060 6.466) 10.486 4.076 ( -1.485 -6.411 -1.996) 6.877 4.083 ( -6.652 -2.584 -2.309) 7.501 4.150 ( 0.565 -6.058 -3.615) 7.077 4.292 ( -6.744 10.032 -3.640) 12.624 4.471 ( -5.767 -1.905 4.017) 7.281 4.559 ( 2.194 1.005 0.178) 2.420 4.649 ( -9.273 -2.301 -2.622) 9.908 4.770 ( -6.199 1.342 -7.761) 10.023 4.981 ( -3.516 -0.114 2.472) 4.300 5.005 ( 2.427 -4.107 0.282) 4.779 5.152 ( -7.095 4.930 2.472) 8.987 5.288 ( 6.861 0.999 -6.251) 9.335 5.659 ( 1.919 -0.304 11.680) 11.840 5.759 ( 5.102 1.526 7.200) 8.956 5.926 ( -12.103 1.681 -0.932) 12.254 6.037 ( -1.660 -3.389 -6.910) 7.873 6.241 ( -1.066 -3.503 3.327) 4.947 6.280 ( 2.834 -2.971 -0.114) 4.108 6.541 ( 0.358 2.538 2.978) 3.929 6.714 ( 10.556 5.526 -3.363) 12.380 6.751 ( -7.285 0.112 -0.431) 7.299 6.843 ( 3.471 -0.099 -5.182) 6.238 7.240 ( -1.676 -0.396 -1.850) 2.528 7.289 ( 1.991 0.339 -4.687) 5.104 7.823 ( 1.507 -0.510 -3.405) 3.759 7.840 ( 1.944 -0.067 -4.465) 4.871 8.258 ( -3.188 -0.146 14.267) 14.620 8.316 ( 1.416 -0.340 16.058) 16.124 8.655 ( -5.663 -3.031 -4.917) 8.089 8.826 ( -4.321 -2.486 -7.963) 9.395 8.879 ( 4.131 2.016 -3.238) 5.622 9.033 ( 4.573 2.714 -9.056) 10.502 9.289 ( -8.537 -2.006 6.462) 10.893 9.451 ( 1.479 0.592 2.814) 3.233 9.822 ( -3.754 -2.036 -2.408) 4.903 10.001 ( 3.455 4.785 -5.502) 8.069 10.287 ( -4.875 -5.822 5.533) 9.396 10.512 ( 2.444 3.699 5.971) 7.437 10.713 ( -5.030 -4.217 -4.863) 8.169 10.924 ( 6.487 1.759 -4.796) 8.257 11.096 ( -0.936 -5.086 2.797) 5.879 11.160 ( -0.509 -4.709 -0.416) 4.755 11.420 ( 2.435 1.288 7.038) 7.558 11.487 ( -8.566 9.179 2.918) 12.890 11.917 ( -7.390 3.313 -0.598) 8.120 12.015 ( 3.547 -0.066 -2.531) 4.358 12.201 ( 2.750 -5.854 -0.920) 6.532 12.232 ( -7.026 -2.397 -0.305) 7.429 12.958 ( 1.345 -0.564 3.015) 3.350 13.212 ( 13.632 6.611 -7.486) 16.899 14.037 ( -7.034 1.333 3.056) 7.784 14.115 ( 2.752 -0.742 0.254) 2.861 14.260 ( -11.022 -2.832 1.864) 11.532 14.314 ( -7.609 -2.667 -0.242) 8.066 14.755 ( -2.014 3.703 -2.830) 5.077 14.825 ( 3.474 6.213 -4.240) 8.285 15.170 ( 3.419 -3.027 2.437) 5.176 15.206 ( 3.603 -1.438 1.610) 4.200 16.020 ( 0.798 -1.158 0.573) 1.518 16.038 ( 1.415 -0.687 -0.159) 1.581 16.952 ( 0.865 -0.292 0.229) 0.942 16.965 ( 0.605 0.795 -0.336) 1.054 18.474 ( -4.166 -0.586 0.807) 4.284 18.538 ( -1.716 -0.058 -2.670) 3.175 18.654 ( 5.350 1.007 2.794) 6.119 18.721 ( 8.188 1.216 -0.822) 8.318 21.512 ( -20.249 0.630 1.418) 20.308 21.582 ( -18.730 -1.127 -1.654) 18.836 21.852 ( 16.870 -0.154 1.531) 16.941 21.920 ( 15.621 0.169 -1.445) 15.689 ======================= Grid point 99 (35/75) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -7.856 5.417 7.942) 12.415 1.448 ( -2.582 10.102 1.531) 10.539 1.487 ( -1.630 0.532 -0.509) 1.789 1.602 ( -3.414 1.904 -1.762) 4.287 1.619 ( -1.993 -0.058 0.614) 2.087 1.713 ( 1.282 2.229 -1.212) 2.842 1.807 ( -3.686 -0.196 2.023) 4.209 1.878 ( -2.685 -0.106 2.202) 3.474 1.894 ( -0.418 -1.564 0.133) 1.625 2.019 ( 2.508 -0.993 -0.851) 2.828 2.089 ( -3.222 0.069 0.066) 3.223 2.127 ( -7.173 1.598 -2.916) 7.906 2.232 ( -1.549 -0.173 1.037) 1.872 2.287 ( 0.328 -0.454 -1.571) 1.668 2.378 ( -1.241 -3.714 -0.377) 3.934 2.413 ( -2.014 -0.384 -1.472) 2.524 2.470 ( 0.042 6.163 0.355) 6.173 2.523 ( -2.382 -3.309 -1.341) 4.293 2.580 ( 1.487 2.212 -1.620) 3.119 2.638 ( -2.198 3.880 -3.678) 5.781 2.846 ( 3.877 1.914 -1.876) 4.713 2.925 ( 4.598 1.896 -3.389) 6.019 3.132 ( -3.986 -0.487 4.256) 5.851 3.190 ( -2.437 0.331 1.849) 3.076 3.273 ( -5.159 -0.652 3.220) 6.116 3.369 ( -4.767 3.454 0.045) 5.887 3.478 ( -9.026 4.109 1.346) 10.008 3.590 ( -11.017 7.564 0.969) 13.398 3.669 ( -8.049 -3.929 -1.874) 9.151 3.704 ( -4.832 -6.663 1.872) 8.441 3.765 ( -8.815 -0.538 0.517) 8.846 3.862 ( 1.251 -1.517 8.034) 8.271 3.974 ( -7.721 -0.159 -1.342) 7.839 4.105 ( 1.166 -2.884 -2.352) 3.900 4.168 ( -9.133 -8.789 -2.787) 12.978 4.214 ( -4.608 -5.982 -3.248) 8.220 4.361 ( -7.437 -2.453 0.661) 7.859 4.434 ( -7.886 -2.790 -4.470) 9.484 4.577 ( -5.018 -1.588 -2.634) 5.885 4.588 ( -2.744 0.395 -1.109) 2.986 4.920 ( -1.105 4.473 1.543) 4.859 4.933 ( -0.948 2.616 0.321) 2.801 5.201 ( 3.724 -3.516 4.833) 7.042 5.386 ( 2.779 -2.620 -5.317) 6.546 5.651 ( -3.412 2.423 3.884) 5.710 5.708 ( -7.601 1.800 2.876) 8.324 5.828 ( 3.234 2.830 3.583) 5.595 5.926 ( -9.877 -5.321 -2.045) 11.404 6.257 ( -2.337 -1.568 1.174) 3.049 6.331 ( -4.079 2.347 -2.445) 5.303 6.558 ( -0.389 -1.188 6.359) 6.481 6.616 ( -3.609 0.758 5.329) 6.480 6.822 ( 5.426 4.609 -1.981) 7.390 6.906 ( 4.652 0.114 -9.822) 10.869 7.223 ( 0.576 -0.175 -0.653) 0.888 7.348 ( 5.598 -0.096 -7.597) 9.438 7.878 ( 4.004 0.339 -1.194) 4.192 7.931 ( 6.904 -1.788 -3.930) 8.143 8.186 ( -3.408 0.400 11.847) 12.334 8.370 ( 0.760 -3.659 14.569) 15.041 8.573 ( -5.837 -3.352 -6.904) 9.642 8.758 ( -5.035 -2.797 -4.233) 7.148 8.947 ( 4.774 1.756 -3.105) 5.960 9.079 ( 0.558 1.356 -5.724) 5.909 9.134 ( -6.124 0.385 7.528) 9.712 9.433 ( -4.591 -2.906 -5.700) 7.875 9.761 ( -4.462 -2.387 4.278) 6.626 10.008 ( 0.638 3.811 -3.908) 5.496 10.190 ( -6.930 -1.237 2.348) 7.421 10.488 ( -4.742 1.104 -5.632) 7.444 10.646 ( -1.485 -0.385 9.890) 10.008 11.008 ( 0.387 4.323 -3.512) 5.583 11.066 ( -4.410 -0.267 2.276) 4.970 11.241 ( 2.652 -6.057 -0.071) 6.613 11.302 ( -10.649 4.187 -0.517) 11.454 11.377 ( 5.461 -0.909 -2.168) 5.946 11.811 ( -5.356 -0.006 4.737) 7.150 11.964 ( -7.360 -0.519 -1.458) 7.521 12.138 ( -1.338 -6.128 6.573) 9.085 12.442 ( 12.033 -4.770 -8.211) 15.329 12.993 ( 4.115 4.986 6.925) 9.473 13.371 ( 9.239 9.247 -9.630) 16.236 13.839 ( -15.282 0.840 2.623) 15.529 13.928 ( -16.853 0.050 -1.319) 16.904 14.128 ( -8.068 1.709 1.904) 8.464 14.215 ( -0.473 -1.343 -1.562) 2.113 14.691 ( -3.052 -3.712 -0.395) 4.822 14.817 ( -0.245 -0.768 -2.427) 2.558 15.251 ( 2.361 -1.237 4.387) 5.133 15.374 ( 10.943 1.218 -0.727) 11.034 16.096 ( 5.500 -1.482 0.546) 5.723 16.116 ( 5.385 -2.187 -0.244) 5.818 16.977 ( 1.327 0.906 -0.050) 1.608 16.977 ( 1.534 -0.245 -0.089) 1.556 18.403 ( -3.607 0.071 1.289) 3.831 18.483 ( -2.968 0.890 -2.501) 3.982 18.777 ( 9.151 3.769 2.950) 10.327 18.877 ( 10.808 3.996 -1.672) 11.644 21.092 ( -24.006 1.259 2.522) 24.171 21.230 ( -20.524 -2.044 -3.561) 20.931 22.130 ( 12.967 -0.066 1.807) 13.093 22.196 ( 13.881 -0.828 -1.153) 13.953 ======================= Grid point 100 (36/75) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -10.996 9.514 9.256) 17.237 1.234 ( -8.965 14.942 6.343) 18.544 1.428 ( -4.015 2.113 -5.894) 7.438 1.493 ( -6.290 4.310 -4.907) 9.067 1.587 ( -1.603 -0.337 0.367) 1.679 1.660 ( -2.364 1.317 -2.844) 3.926 1.757 ( -3.964 -1.051 3.627) 5.474 1.822 ( -4.277 -2.377 -0.834) 4.963 1.851 ( -8.019 0.580 -0.441) 8.052 1.940 ( -6.361 0.125 -0.024) 6.362 2.052 ( -2.614 0.096 -0.609) 2.686 2.082 ( 1.695 1.306 -0.032) 2.140 2.201 ( -1.809 0.463 -0.149) 1.873 2.237 ( -5.935 4.617 -0.447) 7.533 2.314 ( -7.667 0.212 -0.377) 7.679 2.330 ( -8.615 2.369 -0.107) 8.936 2.398 ( -5.365 2.231 1.660) 6.043 2.475 ( -2.268 0.430 -0.106) 2.311 2.567 ( 2.868 4.552 -0.880) 5.452 2.595 ( 1.390 -0.672 -1.130) 1.914 2.865 ( 0.624 1.549 2.802) 3.262 2.962 ( -8.707 8.676 2.839) 12.616 2.973 ( -0.046 1.383 -0.981) 1.696 3.161 ( -3.156 0.467 2.971) 4.359 3.208 ( -5.860 5.148 -1.585) 7.960 3.271 ( -4.653 -3.526 -2.139) 6.217 3.360 ( -16.640 -1.714 -2.558) 16.923 3.367 ( -4.844 -5.781 -1.028) 7.612 3.390 ( -2.041 -3.651 1.630) 4.489 3.498 ( -17.764 0.632 -1.547) 17.843 3.667 ( -5.985 -4.276 0.743) 7.393 3.855 ( -3.442 -1.403 3.166) 4.883 3.899 ( -2.780 -3.759 1.542) 4.923 4.007 ( -11.755 -6.402 1.739) 13.498 4.055 ( -4.133 -1.975 2.295) 5.123 4.229 ( 0.891 -4.669 -5.891) 7.569 4.320 ( -0.079 -2.512 -0.306) 2.531 4.465 ( 1.546 -5.386 -7.992) 9.761 4.547 ( -0.749 -5.392 0.542) 5.471 4.590 ( 0.867 -0.436 -0.540) 1.110 4.896 ( 2.326 2.696 1.461) 3.849 4.955 ( 4.919 1.606 -1.271) 5.329 5.245 ( -1.928 -2.332 3.796) 4.855 5.405 ( -7.309 -5.177 -4.139) 9.867 5.501 ( -3.867 1.470 1.710) 4.476 5.638 ( -2.413 4.127 -2.940) 5.612 5.790 ( -5.181 -4.187 2.772) 7.215 5.857 ( 0.073 1.252 0.270) 1.283 6.163 ( -6.432 3.663 1.285) 7.512 6.180 ( -6.303 6.070 2.047) 8.987 6.431 ( -8.032 -0.184 7.648) 11.092 6.550 ( -7.700 0.015 6.201) 9.887 6.829 ( -2.374 0.493 -5.032) 5.585 6.992 ( 2.922 2.075 -15.491) 15.900 7.341 ( 12.060 -2.020 6.671) 13.930 7.530 ( 12.230 -2.959 -6.835) 14.319 7.955 ( 4.499 0.582 2.061) 4.983 8.074 ( 0.488 -1.787 5.929) 6.211 8.164 ( 6.458 -0.274 -0.797) 6.513 8.327 ( -9.514 -3.740 7.362) 12.598 8.539 ( 0.152 -3.366 -2.587) 4.248 8.701 ( -2.779 -1.645 1.090) 3.409 8.972 ( -7.654 -7.094 8.528) 13.477 9.024 ( 2.991 3.033 -4.964) 6.541 9.137 ( 2.827 1.453 -2.957) 4.341 9.358 ( -5.222 -3.845 -9.379) 11.402 9.682 ( -7.340 -4.315 7.071) 11.067 9.961 ( -2.166 4.076 -4.903) 6.734 10.075 ( -5.845 -0.432 3.267) 6.710 10.391 ( -2.913 1.496 -7.804) 8.463 10.576 ( -7.935 0.061 11.854) 14.265 10.874 ( -3.026 6.879 1.854) 7.741 11.015 ( -10.492 -1.311 -3.305) 11.078 11.114 ( 1.165 0.277 -3.878) 4.058 11.365 ( 6.018 0.953 4.303) 7.459 11.557 ( 8.815 -0.969 -6.755) 11.148 11.643 ( -10.893 0.689 3.363) 11.421 11.823 ( -5.752 0.072 -4.690) 7.421 12.265 ( 5.938 -9.390 12.188) 16.492 12.683 ( 9.551 -3.551 -8.783) 13.453 13.023 ( 4.826 7.846 9.143) 12.979 13.344 ( -6.824 4.498 -4.963) 9.562 13.483 ( -18.602 0.873 2.868) 18.842 13.673 ( -7.117 5.420 -5.769) 10.645 14.010 ( -2.223 6.393 2.600) 7.251 14.208 ( -3.528 -7.534 -7.981) 11.529 14.706 ( -0.034 -4.542 1.085) 4.670 14.854 ( 0.114 -8.187 -1.179) 8.272 15.283 ( 1.067 -0.614 9.589) 9.668 15.556 ( 10.748 2.846 -3.461) 11.644 16.220 ( 6.181 -0.961 1.405) 6.411 16.258 ( 6.936 -3.356 -0.241) 7.709 16.995 ( 1.386 0.898 0.185) 1.662 17.008 ( 1.468 -0.171 -0.365) 1.523 18.341 ( -2.650 0.616 1.468) 3.091 18.421 ( -2.268 2.115 -2.149) 3.773 18.919 ( 10.909 7.311 3.330) 13.548 19.056 ( 14.074 8.273 -2.754) 16.556 20.602 ( -26.809 2.227 3.695) 27.154 20.852 ( -22.478 -2.878 -8.009) 24.035 22.343 ( 9.867 -0.816 3.941) 10.656 22.450 ( 11.838 -2.334 -1.276) 12.133 ======================= Grid point 101 (37/75) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -10.157 15.313 9.757) 20.805 0.880 ( -15.567 15.079 9.460) 23.648 1.245 ( -14.047 5.998 -9.464) 17.968 1.339 ( -4.132 3.449 -13.831) 14.842 1.515 ( -8.936 -0.259 4.251) 9.899 1.620 ( -8.124 12.032 4.824) 15.299 1.663 ( -4.736 4.114 4.725) 7.854 1.674 ( 0.695 -0.640 -0.734) 1.197 1.717 ( -4.425 0.173 1.273) 4.608 1.850 ( -1.769 5.214 4.704) 7.242 1.903 ( -2.224 -3.785 0.940) 4.490 2.061 ( -0.613 0.323 4.789) 4.839 2.078 ( -8.516 -1.549 -1.660) 8.814 2.164 ( -5.840 -1.369 1.244) 6.126 2.175 ( -11.743 -3.502 0.044) 12.254 2.237 ( -1.758 5.523 -1.989) 6.128 2.290 ( -0.813 2.393 -0.949) 2.700 2.440 ( -2.411 -1.280 -2.305) 3.572 2.502 ( -1.012 2.562 4.858) 5.584 2.681 ( 1.908 4.106 -5.082) 6.807 2.702 ( -11.294 1.741 -2.539) 11.706 2.842 ( -6.165 7.468 1.303) 9.772 2.892 ( -2.726 -1.732 -5.625) 6.486 2.930 ( -7.460 1.742 -2.943) 8.207 3.067 ( -4.640 -3.003 -0.056) 5.527 3.206 ( -4.091 2.202 -3.637) 5.900 3.250 ( 0.773 -3.779 0.500) 3.890 3.329 ( -2.155 -3.794 -2.527) 5.042 3.401 ( -0.760 -7.684 9.904) 12.558 3.549 ( 4.437 -9.426 2.177) 10.643 3.589 ( -4.474 -2.502 2.129) 5.551 3.722 ( -7.420 -1.330 1.831) 7.758 3.875 ( -3.031 -2.892 1.086) 4.328 3.916 ( -3.747 -4.551 7.762) 9.747 4.052 ( 0.449 -2.161 -4.778) 5.263 4.267 ( -1.591 -3.717 -1.965) 4.496 4.320 ( -1.801 -1.263 -2.406) 3.259 4.484 ( -0.907 0.070 -4.351) 4.445 4.548 ( -1.965 -3.688 1.184) 4.344 4.695 ( 6.483 -1.681 -9.508) 11.630 4.973 ( 6.667 0.157 3.011) 7.317 5.069 ( 8.237 2.739 -2.635) 9.071 5.189 ( -4.207 -0.737 2.240) 4.823 5.265 ( -8.426 -4.374 -0.583) 9.511 5.456 ( -2.992 -0.420 -2.652) 4.021 5.497 ( -9.159 1.430 -5.027) 10.545 5.790 ( 1.264 -1.363 4.133) 4.532 5.864 ( 1.634 0.600 -0.821) 1.924 5.994 ( -6.402 6.200 0.410) 8.921 6.003 ( -6.290 7.553 0.399) 9.837 6.323 ( -3.366 -0.414 12.336) 12.794 6.382 ( -8.402 0.273 7.784) 11.457 6.759 ( -4.189 -0.808 -8.936) 9.902 6.990 ( 0.476 3.896 -18.559) 18.969 7.639 ( 14.820 -5.657 11.538) 19.615 7.793 ( 10.560 -4.524 -5.333) 12.666 7.991 ( -4.848 -1.484 7.678) 9.201 8.052 ( 3.648 0.429 6.675) 7.619 8.164 ( -8.966 -4.933 3.213) 10.726 8.353 ( 8.945 0.345 2.035) 9.180 8.597 ( 3.048 -2.740 2.859) 4.997 8.685 ( -0.563 -2.454 0.455) 2.558 8.917 ( -5.001 -6.435 2.471) 8.516 8.999 ( -5.874 -6.386 -0.214) 8.679 9.211 ( 4.270 -2.322 -2.329) 5.389 9.335 ( 0.980 -0.359 -6.650) 6.731 9.560 ( -9.598 -4.640 5.830) 12.151 9.844 ( -7.710 0.222 -9.142) 11.961 10.003 ( -0.468 4.539 7.617) 8.879 10.359 ( -0.530 1.043 -4.265) 4.422 10.410 ( -6.896 0.085 6.489) 9.470 10.733 ( -7.319 1.768 -6.474) 9.930 10.937 ( 2.522 3.804 6.149) 7.657 11.157 ( 2.092 0.191 -1.876) 2.817 11.369 ( -5.124 1.704 0.047) 5.400 11.476 ( -3.239 6.745 0.860) 7.532 11.625 ( 0.639 1.298 -9.681) 9.788 11.837 ( 7.056 4.629 -7.666) 11.401 12.470 ( 5.876 -12.108 12.747) 18.537 12.839 ( 4.633 -1.475 -6.489) 8.108 13.041 ( 0.339 1.585 6.204) 6.413 13.133 ( -10.944 -2.437 -1.175) 11.273 13.246 ( 0.879 7.676 8.636) 11.588 13.558 ( -1.321 5.826 -3.655) 7.003 13.862 ( -12.047 0.590 2.962) 12.419 14.218 ( -1.840 -4.686 -18.376) 19.053 14.739 ( 0.370 -1.865 3.188) 3.712 14.924 ( -0.707 -7.969 -2.837) 8.489 15.344 ( 4.030 -5.119 17.449) 18.626 15.735 ( 9.815 1.176 -5.482) 11.303 16.335 ( 5.082 -2.107 4.553) 7.141 16.421 ( 6.395 -5.910 -0.264) 8.712 17.010 ( 0.868 0.827 0.325) 1.242 17.032 ( 0.857 -0.107 -0.552) 1.025 18.297 ( -1.378 0.651 1.556) 2.178 18.367 ( -1.288 2.756 -1.571) 3.424 19.052 ( 11.670 12.902 4.204) 17.898 19.279 ( 21.311 15.098 -5.863) 26.768 20.086 ( -24.811 2.529 2.867) 25.104 20.408 ( -28.872 -0.910 -16.462) 33.248 22.525 ( 7.881 -4.160 8.283) 12.167 22.664 ( 7.885 -3.746 -0.737) 8.761 ======================= Grid point 102 (38/75) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 14.840 14.162) 20.513 0.548 ( 0.000 14.948 15.834) 21.775 1.009 ( 0.000 4.307 -9.719) 10.630 1.133 ( 0.000 31.076 17.354) 35.593 1.391 ( 0.000 0.435 -11.158) 11.167 1.440 ( -0.000 -0.976 6.617) 6.688 1.671 ( -0.000 -2.547 -3.953) 4.702 1.734 ( -0.000 -4.470 1.931) 4.869 1.741 ( -0.000 -1.428 -0.354) 1.472 1.822 ( 0.000 0.699 4.410) 4.465 1.946 ( -0.000 -2.905 -3.191) 4.315 1.951 ( -0.000 -3.182 1.174) 3.392 1.981 ( -0.000 -1.397 0.443) 1.465 2.067 ( -0.000 -0.450 2.452) 2.493 2.115 ( -0.000 -0.896 10.355) 10.393 2.173 ( 0.000 4.849 -1.392) 5.045 2.176 ( 0.000 12.470 -13.314) 18.242 2.421 ( -0.000 -0.273 -4.094) 4.104 2.556 ( -0.000 -2.217 -2.187) 3.114 2.585 ( -0.000 -11.979 13.953) 18.389 2.644 ( 0.000 1.824 -8.248) 8.447 2.709 ( 0.000 5.535 2.223) 5.965 2.843 ( 0.000 1.575 4.735) 4.990 2.992 ( -0.000 -1.825 -1.083) 2.122 3.011 ( -0.000 -2.781 -2.709) 3.882 3.152 ( 0.000 0.010 -4.324) 4.324 3.281 ( -0.000 -2.039 -4.717) 5.139 3.312 ( 0.000 0.960 -5.439) 5.523 3.433 ( -0.000 -4.359 16.317) 16.890 3.513 ( -0.000 -1.190 6.257) 6.369 3.699 ( -0.000 -9.382 2.209) 9.638 3.706 ( -0.000 -1.059 -0.260) 1.091 3.861 ( -0.000 -1.913 0.407) 1.955 3.912 ( -0.000 -6.338 9.574) 11.482 4.075 ( -0.000 -0.577 -8.399) 8.419 4.244 ( 0.000 2.235 6.039) 6.440 4.293 ( -0.000 -0.059 -10.456) 10.456 4.459 ( 0.000 2.431 -3.243) 4.053 4.568 ( -0.000 -4.046 2.282) 4.645 4.777 ( -0.000 -0.305 -13.182) 13.185 5.049 ( 0.000 3.162 1.657) 3.570 5.141 ( 0.000 10.936 -6.924) 12.944 5.144 ( -0.000 -0.777 1.582) 1.763 5.214 ( -0.000 -4.141 -1.106) 4.287 5.347 ( -0.000 -0.426 1.080) 1.161 5.433 ( -0.000 -2.134 -3.037) 3.712 5.829 ( -0.000 -2.410 3.021) 3.865 5.855 ( 0.000 6.382 0.707) 6.421 5.867 ( 0.000 7.074 0.424) 7.086 5.894 ( 0.000 0.268 -0.481) 0.551 6.290 ( 0.000 0.480 8.786) 8.799 6.301 ( -0.000 -0.726 12.135) 12.157 6.722 ( -0.000 -0.838 -10.665) 10.698 6.961 ( 0.000 3.596 -18.967) 19.305 7.876 ( -0.000 -0.249 0.395) 0.467 7.913 ( -0.000 -0.284 -1.263) 1.294 7.944 ( -0.000 -12.068 12.063) 17.063 8.086 ( -0.000 -5.299 7.436) 9.131 8.188 ( -0.000 -6.887 5.867) 9.047 8.423 ( 0.000 1.600 10.288) 10.411 8.699 ( -0.000 -3.268 -7.789) 8.446 8.780 ( -0.000 -13.786 19.607) 23.969 8.790 ( 0.000 0.506 -6.159) 6.180 9.036 ( -0.000 -14.177 2.994) 14.490 9.285 ( -0.000 -1.844 -1.078) 2.136 9.396 ( -0.000 -2.564 -1.822) 3.146 9.430 ( -0.000 -0.079 4.668) 4.669 9.747 ( -0.000 -0.397 -10.828) 10.835 9.956 ( 0.000 5.568 8.595) 10.241 10.316 ( -0.000 -0.126 10.359) 10.360 10.377 ( 0.000 2.229 -10.622) 10.854 10.648 ( 0.000 0.141 -6.313) 6.315 10.945 ( 0.000 6.528 3.204) 7.272 11.175 ( -0.000 -0.045 3.478) 3.478 11.295 ( -0.000 -0.213 -2.075) 2.085 11.348 ( 0.000 13.764 -10.652) 17.405 11.611 ( 0.000 5.263 -6.239) 8.163 11.852 ( 0.000 11.585 -10.846) 15.870 12.626 ( -0.000 -8.726 7.258) 11.349 12.893 ( -0.000 -2.927 -4.059) 5.005 13.026 ( -0.000 -3.863 0.630) 3.914 13.056 ( -0.000 -3.904 -0.640) 3.956 13.489 ( 0.000 3.628 0.486) 3.661 13.511 ( 0.000 3.693 -0.442) 3.719 13.521 ( -0.000 -7.713 23.333) 24.574 14.190 ( 0.000 5.769 -22.428) 23.158 14.746 ( 0.000 0.432 4.444) 4.465 14.960 ( -0.000 -4.111 -4.500) 6.095 15.496 ( -0.000 -15.651 19.404) 24.929 15.843 ( 0.000 0.185 -6.411) 6.413 16.455 ( -0.000 -11.578 9.566) 15.018 16.562 ( -0.000 -9.098 0.444) 9.109 17.012 ( 0.000 0.666 0.474) 0.817 17.041 ( -0.000 -0.135 -0.599) 0.614 18.283 ( -0.000 -0.385 1.687) 1.730 18.332 ( 0.000 2.391 -0.792) 2.519 19.060 ( 0.000 17.319 4.341) 17.855 19.580 ( 0.000 37.244 -34.318) 50.644 19.793 ( 0.000 0.065 0.022) 0.068 19.794 ( 0.000 0.079 -0.019) 0.081 22.690 ( -0.000 -11.609 9.793) 15.188 22.775 ( -0.000 -3.639 0.347) 3.655 ======================= Grid point 105 (39/75) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 6.169 0.000 4.344) 7.545 1.404 ( 10.109 0.000 4.251) 10.966 1.589 ( 2.092 0.000 -1.902) 2.827 1.633 ( 4.746 0.000 -2.894) 5.559 1.677 ( 1.253 0.000 -0.715) 1.443 1.679 ( -1.457 -0.000 -0.376) 1.505 1.834 ( 2.866 0.000 2.086) 3.545 1.893 ( 0.882 0.000 -0.182) 0.901 1.910 ( -2.521 -0.000 5.625) 6.164 1.982 ( -6.784 -0.000 0.458) 6.799 2.038 ( 4.798 0.000 3.584) 5.989 2.205 ( -2.349 -0.000 -0.620) 2.430 2.232 ( 2.220 0.000 -2.536) 3.371 2.276 ( 4.157 0.000 -4.981) 6.488 2.291 ( -0.410 -0.000 0.464) 0.620 2.454 ( 4.242 0.000 -12.442) 13.145 2.583 ( -0.348 -0.000 0.705) 0.787 2.646 ( -4.626 -0.000 -1.038) 4.741 2.681 ( -1.810 -0.000 -1.056) 2.095 2.691 ( -0.939 -0.000 -1.258) 1.570 2.820 ( -0.917 -0.000 3.238) 3.365 2.928 ( 1.062 0.000 -2.591) 2.801 3.070 ( 15.461 0.000 10.458) 18.666 3.151 ( 6.282 0.000 0.317) 6.290 3.182 ( 2.371 0.000 0.687) 2.468 3.266 ( -1.178 -0.000 3.138) 3.352 3.455 ( 2.960 0.000 -1.074) 3.149 3.616 ( 2.611 0.000 -11.301) 11.599 3.749 ( -4.627 -0.000 3.220) 5.637 3.854 ( -2.946 -0.000 2.539) 3.890 3.859 ( 3.427 0.000 0.198) 3.433 3.950 ( 2.596 0.000 -2.146) 3.368 4.076 ( -2.172 -0.000 -0.864) 2.338 4.088 ( -6.163 -0.000 -1.224) 6.283 4.388 ( 4.947 0.000 5.768) 7.599 4.425 ( 2.161 0.000 6.570) 6.916 4.470 ( -2.821 -0.000 3.108) 4.197 4.680 ( -7.617 -0.000 -3.531) 8.395 4.693 ( -0.277 -0.000 -2.593) 2.607 4.807 ( 6.039 0.000 1.407) 6.201 4.827 ( 15.219 0.000 -8.018) 17.202 4.846 ( 0.078 0.000 -6.165) 6.166 5.290 ( -2.502 -0.000 5.483) 6.026 5.426 ( -4.822 -0.000 -3.373) 5.885 5.539 ( 3.996 0.000 12.976) 13.577 5.656 ( 2.939 0.000 7.492) 8.048 5.978 ( 8.108 0.000 -5.490) 9.792 6.041 ( -1.614 -0.000 -9.854) 9.985 6.329 ( -9.965 -0.000 3.818) 10.671 6.390 ( -13.113 -0.000 5.545) 14.237 6.519 ( -1.169 -0.000 0.527) 1.282 6.535 ( 15.088 0.000 -3.058) 15.394 6.749 ( 6.963 0.000 0.807) 7.009 6.871 ( -3.895 -0.000 -5.256) 6.542 7.257 ( 2.136 0.000 -2.239) 3.094 7.267 ( -2.309 -0.000 -3.520) 4.210 7.813 ( -1.426 -0.000 -3.381) 3.669 7.864 ( -3.942 -0.000 -5.799) 7.012 8.241 ( 2.217 0.000 16.932) 17.076 8.398 ( -5.302 -0.000 16.175) 17.022 8.718 ( -4.445 -0.000 -4.430) 6.275 8.817 ( 2.919 0.000 -3.759) 4.759 8.881 ( -4.094 -0.000 -6.282) 7.499 8.960 ( 7.511 0.000 -13.618) 15.552 9.373 ( -5.111 -0.000 4.281) 6.667 9.439 ( 3.802 0.000 7.728) 8.613 9.824 ( -0.378 -0.000 -5.289) 5.303 10.016 ( 8.064 0.000 -8.791) 11.930 10.194 ( -3.212 -0.000 10.753) 11.222 10.506 ( 4.838 0.000 -5.262) 7.148 10.618 ( 1.486 0.000 7.054) 7.209 10.927 ( 2.883 0.000 -8.517) 8.992 11.084 ( -8.384 -0.000 3.412) 9.052 11.137 ( -4.470 -0.000 0.441) 4.491 11.301 ( 10.141 0.000 10.327) 14.474 11.669 ( 11.617 0.000 -7.019) 13.573 11.988 ( 3.490 0.000 2.381) 4.225 12.043 ( 1.703 0.000 0.552) 1.791 12.084 ( -11.417 -0.000 9.262) 14.701 12.557 ( -22.019 -0.000 -11.208) 24.707 12.863 ( 2.872 0.000 1.975) 3.486 13.022 ( 13.602 0.000 -4.575) 14.351 14.003 ( 6.891 0.000 6.578) 9.527 14.165 ( -3.395 -0.000 -0.842) 3.498 14.256 ( 8.783 0.000 0.261) 8.787 14.256 ( 9.069 0.000 1.092) 9.134 14.800 ( 4.127 0.000 -3.877) 5.663 14.872 ( -3.720 -0.000 -6.993) 7.921 15.175 ( -7.400 -0.000 4.353) 8.586 15.226 ( -4.453 -0.000 1.286) 4.635 16.055 ( -5.313 -0.000 0.453) 5.332 16.058 ( -3.348 -0.000 0.366) 3.368 16.941 ( -0.173 -0.000 0.703) 0.724 16.974 ( -0.358 -0.000 -0.707) 0.792 18.497 ( 5.389 0.000 0.355) 5.401 18.526 ( -0.733 -0.000 -1.136) 1.352 18.599 ( 3.101 0.000 1.232) 3.337 18.628 ( -2.792 -0.000 -0.255) 2.803 21.493 ( 21.220 0.000 2.403) 21.356 21.617 ( 17.209 0.000 -3.100) 17.486 21.859 ( -16.187 -0.000 1.292) 16.238 21.909 ( -17.493 -0.000 -0.964) 17.519 ======================= Grid point 106 (40/75) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 1.912 0.986 3.808) 4.374 1.542 ( 3.100 0.617 -0.791) 3.258 1.622 ( 1.362 2.518 0.133) 2.866 1.637 ( 0.907 3.052 3.353) 4.624 1.670 ( -1.553 0.264 -1.444) 2.137 1.689 ( 0.172 -1.162 1.607) 1.991 1.846 ( -2.372 0.084 1.945) 3.069 1.871 ( -3.954 -2.557 2.363) 5.268 1.880 ( 0.482 -1.457 0.863) 1.761 1.958 ( 4.441 0.294 0.749) 4.513 2.138 ( 3.344 -0.478 3.073) 4.566 2.142 ( -2.454 -0.765 2.418) 3.529 2.249 ( -0.809 1.660 -2.592) 3.182 2.313 ( -1.563 -2.483 -1.584) 3.334 2.335 ( 3.118 -1.735 -1.665) 3.938 2.451 ( -1.855 2.363 -6.698) 7.341 2.508 ( -7.059 1.112 0.381) 7.156 2.596 ( 2.107 2.670 -3.044) 4.565 2.668 ( -0.883 1.105 -2.166) 2.587 2.718 ( 1.727 0.297 -2.578) 3.118 2.789 ( 2.630 0.235 1.421) 2.998 2.927 ( 2.311 6.858 -5.447) 9.058 3.164 ( -2.310 3.755 3.929) 5.905 3.228 ( 0.894 -0.415 1.085) 1.466 3.281 ( 2.469 -5.456 2.688) 6.564 3.352 ( 1.248 -13.827 0.395) 13.889 3.496 ( 1.607 2.995 -4.195) 5.399 3.614 ( -2.867 -2.802 -7.333) 8.358 3.699 ( -0.967 -0.259 7.279) 7.347 3.783 ( -0.635 5.245 3.205) 6.180 3.879 ( -1.780 -0.029 0.647) 1.894 3.951 ( -4.743 -5.344 2.153) 7.463 4.025 ( -2.279 -1.307 -2.943) 3.945 4.051 ( 0.550 -2.440 -7.054) 7.484 4.190 ( -12.389 8.722 9.118) 17.683 4.386 ( -9.547 -3.394 5.850) 11.700 4.465 ( -9.264 4.316 -1.147) 10.284 4.573 ( 4.252 0.292 1.200) 4.427 4.620 ( -8.021 -0.982 -1.532) 8.225 4.784 ( -8.801 0.305 -8.031) 11.918 4.945 ( 2.644 -2.000 0.375) 3.337 4.957 ( 3.119 -1.726 -0.465) 3.595 5.232 ( -9.943 3.477 2.293) 10.781 5.306 ( 2.773 0.393 -3.331) 4.352 5.675 ( 8.358 2.233 11.476) 14.371 5.751 ( 4.882 -2.219 5.049) 7.366 5.950 ( -10.225 0.972 -4.438) 11.189 5.993 ( -8.363 -1.486 -2.795) 8.942 6.204 ( -2.953 -0.717 2.562) 3.974 6.234 ( 5.275 -2.193 -0.662) 5.751 6.578 ( 3.154 1.503 3.759) 5.132 6.749 ( -7.445 -0.198 -1.141) 7.534 6.784 ( 10.410 2.405 -4.367) 11.542 6.844 ( 3.517 0.115 -5.388) 6.435 7.236 ( -1.368 -0.142 -1.470) 2.013 7.292 ( 1.786 0.085 -4.644) 4.977 7.818 ( 1.887 -0.068 -3.919) 4.350 7.837 ( 0.945 -0.319 -4.744) 4.848 8.263 ( -0.675 0.852 16.044) 16.081 8.305 ( -3.427 -1.130 16.230) 16.626 8.637 ( -4.199 0.530 -2.682) 5.010 8.762 ( -5.441 -3.250 -6.470) 9.057 8.925 ( 4.646 1.984 -4.803) 6.970 9.059 ( 3.651 0.554 -12.737) 13.261 9.264 ( -6.782 -0.828 5.873) 9.010 9.459 ( -1.354 0.263 1.173) 1.811 9.803 ( -2.890 -0.351 1.681) 3.361 10.083 ( 1.866 5.212 -3.415) 6.504 10.183 ( -1.333 -6.243 4.436) 7.774 10.554 ( -0.441 1.005 -0.086) 1.101 10.650 ( -0.024 -2.101 -1.634) 2.662 10.949 ( 2.510 1.858 -3.679) 4.826 11.015 ( -0.440 -4.771 1.791) 5.115 11.094 ( -0.807 -1.638 -0.497) 1.893 11.459 ( 5.706 1.668 9.955) 11.595 11.613 ( -12.363 4.807 3.419) 13.698 11.984 ( -6.822 3.695 0.513) 7.776 12.006 ( -0.564 -0.925 0.325) 1.131 12.124 ( 10.851 -2.471 -4.953) 12.181 12.182 ( -16.095 -2.994 -4.889) 17.086 12.954 ( 5.946 -0.014 6.144) 8.550 13.293 ( 15.679 2.712 -8.481) 18.031 14.057 ( -6.521 0.803 2.155) 6.914 14.110 ( 2.701 -0.021 0.606) 2.769 14.218 ( -10.201 -1.654 1.688) 10.471 14.265 ( -7.953 -2.149 0.034) 8.238 14.825 ( -5.339 3.255 -2.299) 6.662 14.935 ( 4.557 5.469 -6.180) 9.427 15.111 ( 3.408 -3.413 4.144) 6.359 15.175 ( 3.218 -1.661 1.981) 4.128 16.005 ( 0.311 -0.524 0.612) 0.864 16.029 ( 0.458 -0.325 -0.368) 0.672 16.949 ( 0.960 -0.064 0.552) 1.109 16.975 ( 0.643 0.350 -0.574) 0.931 18.466 ( -3.777 -0.269 0.986) 3.913 18.535 ( -1.764 -0.128 -2.612) 3.154 18.665 ( 7.237 0.385 2.621) 7.707 18.732 ( 9.211 0.276 -0.872) 9.256 21.522 ( -19.756 0.426 0.906) 19.782 21.566 ( -19.434 -0.647 -1.033) 19.472 21.850 ( 17.006 -0.059 1.562) 17.078 21.922 ( 15.192 0.048 -1.558) 15.272 ======================= Grid point 107 (41/75) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -4.825 4.891 6.558) 9.498 1.508 ( -1.581 1.802 1.235) 2.697 1.566 ( -3.033 0.654 1.318) 3.371 1.632 ( 0.119 4.692 0.316) 4.704 1.643 ( -0.732 1.796 -1.398) 2.390 1.746 ( 4.267 1.430 2.775) 5.287 1.803 ( -4.051 -0.055 -1.637) 4.370 1.856 ( -0.719 -1.903 2.605) 3.305 1.871 ( -2.890 -1.158 -0.115) 3.116 2.016 ( 0.970 0.363 -0.845) 1.336 2.086 ( -1.856 -0.553 2.180) 2.917 2.153 ( -5.495 2.356 -0.850) 6.039 2.229 ( 1.213 -0.139 3.237) 3.459 2.293 ( -4.988 -3.413 -0.612) 6.075 2.312 ( -0.744 -0.045 -2.249) 2.369 2.422 ( -0.951 0.964 -2.844) 3.150 2.455 ( 0.641 -1.775 -0.037) 1.888 2.572 ( -2.543 4.207 -3.208) 5.870 2.641 ( 1.289 3.120 1.149) 3.566 2.725 ( 2.099 5.131 -4.709) 7.274 2.891 ( 4.142 1.426 0.211) 4.386 2.936 ( 4.135 1.540 -5.019) 6.683 3.101 ( -2.639 -0.947 1.202) 3.050 3.151 ( -6.347 -1.909 -0.892) 6.687 3.280 ( -5.490 0.109 0.795) 5.548 3.390 ( -6.004 -3.070 -2.008) 7.035 3.465 ( -7.181 -5.379 0.741) 9.003 3.594 ( -3.008 -5.888 -1.637) 6.812 3.663 ( -0.137 0.934 0.464) 1.052 3.713 ( -11.296 8.723 7.512) 16.129 3.772 ( -11.482 1.726 1.055) 11.658 3.858 ( -2.804 1.501 6.342) 7.095 3.946 ( -7.698 -4.122 -0.941) 8.783 4.014 ( -12.439 -6.336 -3.267) 14.337 4.060 ( 4.934 -2.362 0.913) 5.545 4.185 ( -8.376 0.451 -3.400) 9.051 4.302 ( -8.900 -3.800 2.207) 9.926 4.410 ( -10.760 -0.588 -4.687) 11.751 4.565 ( -10.131 -0.015 -1.947) 10.316 4.618 ( 0.855 2.636 -1.100) 2.981 4.955 ( -1.755 0.142 0.024) 1.760 4.959 ( -1.184 -0.090 0.317) 1.229 5.173 ( 3.598 0.213 5.560) 6.626 5.349 ( 0.787 -1.576 -3.293) 3.734 5.678 ( -7.396 1.622 1.092) 7.650 5.752 ( -4.799 2.183 1.831) 5.581 5.828 ( -7.654 -3.541 0.813) 8.473 5.880 ( 3.014 0.956 2.611) 4.100 6.220 ( 1.058 -2.490 1.721) 3.207 6.357 ( 1.477 0.696 -4.424) 4.715 6.553 ( -5.865 0.709 6.278) 8.621 6.623 ( -2.680 -0.046 6.712) 7.227 6.895 ( 3.186 3.593 -4.148) 6.345 6.913 ( 5.234 0.567 -9.868) 11.185 7.222 ( 0.608 0.043 -1.157) 1.308 7.346 ( 4.743 -0.134 -7.877) 9.196 7.881 ( 4.267 0.013 -2.237) 4.818 7.906 ( 6.077 -1.227 -3.751) 7.246 8.194 ( -3.666 0.898 12.301) 12.867 8.305 ( -1.544 -4.165 14.338) 15.010 8.554 ( -3.604 1.204 -3.044) 4.868 8.700 ( -4.696 -4.029 -3.819) 7.271 8.960 ( -0.747 0.199 0.280) 0.822 9.090 ( -1.233 0.753 -7.150) 7.294 9.169 ( 0.251 2.205 1.227) 2.536 9.391 ( -6.587 -1.939 -6.244) 9.281 9.723 ( -6.146 -1.858 8.892) 10.968 10.065 ( -0.126 3.165 -3.681) 4.856 10.163 ( -4.762 -2.239 0.549) 5.290 10.496 ( -5.039 -0.023 -4.775) 6.942 10.629 ( -1.779 -1.146 8.379) 8.642 11.027 ( 2.516 -2.028 -8.101) 8.721 11.064 ( -0.378 -0.169 4.015) 4.036 11.135 ( 1.713 -4.082 -0.287) 4.436 11.382 ( -3.147 1.828 0.773) 3.720 11.401 ( -7.935 5.398 1.959) 9.795 11.822 ( -6.899 1.213 3.788) 7.964 11.936 ( -8.406 -2.656 -1.383) 8.923 12.050 ( -0.610 -4.102 5.767) 7.104 12.396 ( 14.350 -1.309 -10.339) 17.736 13.061 ( 6.423 2.977 9.200) 11.609 13.511 ( 9.996 7.130 -11.008) 16.490 13.857 ( -16.878 1.185 1.072) 16.954 13.917 ( -13.950 -1.319 -1.895) 14.140 14.109 ( -6.923 -2.653 3.163) 8.060 14.209 ( 0.073 -0.270 -1.158) 1.191 14.654 ( -7.753 -0.557 2.881) 8.290 14.847 ( -5.193 3.197 -4.436) 7.542 15.222 ( 3.778 -2.051 5.473) 6.960 15.388 ( 13.210 0.493 -1.780) 13.339 16.075 ( 5.956 -0.888 0.141) 6.024 16.085 ( 4.783 -1.357 -0.243) 4.977 16.975 ( 1.593 -0.106 0.298) 1.624 16.990 ( 1.283 0.604 -0.358) 1.463 18.403 ( -3.129 -0.029 1.522) 3.480 18.494 ( -2.102 0.450 -2.732) 3.476 18.826 ( 10.666 2.077 2.892) 11.244 18.924 ( 12.199 1.728 -1.610) 12.425 21.113 ( -23.349 1.210 1.581) 23.434 21.196 ( -21.358 -1.812 -2.061) 21.534 22.129 ( 13.009 0.028 1.362) 13.080 22.184 ( 12.832 -0.593 -1.015) 12.886 ======================= Grid point 108 (42/75) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -7.111 7.967 8.359) 13.562 1.457 ( -3.049 5.517 0.777) 6.351 1.498 ( -3.972 10.452 1.937) 11.348 1.528 ( -5.054 0.453 1.242) 5.224 1.608 ( -1.685 2.966 -2.419) 4.182 1.698 ( -4.266 2.976 -4.469) 6.858 1.742 ( -7.966 -0.763 0.106) 8.003 1.784 ( -3.105 -1.967 0.698) 3.741 1.843 ( -3.341 -1.548 0.546) 3.722 1.951 ( -12.368 1.196 0.051) 12.426 2.029 ( -0.833 -3.139 -0.174) 3.252 2.093 ( 1.416 1.178 2.056) 2.760 2.201 ( -2.999 -0.425 0.277) 3.042 2.238 ( -3.568 -1.820 -0.026) 4.005 2.326 ( -1.665 1.687 0.827) 2.511 2.390 ( -1.193 2.653 -1.849) 3.447 2.458 ( -1.921 -0.028 -0.449) 1.973 2.510 ( -1.105 6.087 -2.324) 6.609 2.612 ( 0.472 3.428 -0.594) 3.511 2.684 ( 1.122 8.174 -5.296) 9.804 2.915 ( 0.046 3.191 0.565) 3.241 2.981 ( -2.146 -0.985 -2.957) 3.784 3.070 ( -3.270 1.470 4.263) 5.570 3.097 ( -3.905 -4.866 1.618) 6.445 3.202 ( -2.219 -3.820 4.455) 6.274 3.230 ( -13.382 -3.106 1.295) 13.799 3.288 ( -12.101 -0.553 5.889) 13.469 3.337 ( -10.532 0.451 0.398) 10.549 3.445 ( -13.915 8.276 -3.656) 16.598 3.521 ( -16.443 1.022 0.403) 16.479 3.644 ( -3.050 -0.576 -3.922) 5.002 3.778 ( -5.650 -5.978 -6.747) 10.639 3.857 ( -0.589 -1.798 6.441) 6.713 3.880 ( -6.605 -6.419 4.358) 10.190 4.063 ( -7.926 0.864 -2.757) 8.436 4.127 ( -1.629 -7.310 -3.575) 8.299 4.269 ( 2.359 -2.328 0.427) 3.342 4.360 ( 0.250 -5.840 -7.425) 9.450 4.467 ( -0.921 -4.842 3.262) 5.910 4.609 ( 0.534 2.616 -1.950) 3.307 4.942 ( 0.775 1.789 0.487) 2.010 4.967 ( 2.999 -0.318 -0.150) 3.019 5.218 ( -0.108 -0.700 2.838) 2.925 5.334 ( -6.049 -3.194 -2.942) 7.446 5.505 ( -6.812 -0.572 3.379) 7.625 5.644 ( -9.831 -3.822 -2.252) 10.785 5.758 ( 0.933 1.326 3.429) 3.793 5.905 ( 1.091 3.671 -3.469) 5.167 6.210 ( -2.938 2.071 2.396) 4.320 6.274 ( -4.746 4.826 2.238) 7.129 6.425 ( -7.332 -0.622 7.575) 10.560 6.545 ( -7.541 -0.645 6.524) 9.992 6.851 ( -4.162 1.881 -4.970) 6.750 7.024 ( 5.013 1.667 -15.978) 16.828 7.317 ( 10.405 -0.890 3.992) 11.180 7.485 ( 9.033 -2.332 -6.770) 11.526 7.960 ( 4.000 0.006 0.645) 4.052 8.053 ( 3.907 -0.702 2.492) 4.687 8.149 ( 2.719 -1.330 1.719) 3.481 8.260 ( -7.949 -4.196 6.502) 11.093 8.509 ( 0.037 0.059 0.162) 0.176 8.657 ( -3.004 -3.366 1.137) 4.652 8.880 ( -7.743 -3.973 8.079) 11.875 9.069 ( 0.163 2.261 -6.150) 6.554 9.171 ( -1.890 2.164 -2.270) 3.662 9.302 ( -1.600 -2.663 -8.435) 8.989 9.617 ( -7.480 -3.316 9.670) 12.667 9.991 ( -7.368 -0.099 -10.409) 12.753 10.096 ( -0.765 2.295 6.019) 6.487 10.410 ( -3.082 0.434 -6.533) 7.237 10.571 ( -6.630 -0.286 11.339) 13.138 10.961 ( -5.764 3.494 1.497) 6.904 10.995 ( -9.158 -1.229 -3.689) 9.949 11.122 ( 0.773 0.500 -2.294) 2.472 11.362 ( 6.641 -0.559 2.751) 7.210 11.504 ( 8.080 -4.072 -4.880) 10.281 11.652 ( -9.273 -0.091 3.281) 9.837 11.802 ( -6.785 -1.890 -4.959) 8.614 12.158 ( 6.663 -3.711 13.039) 15.105 12.652 ( 11.740 -0.896 -11.356) 16.358 13.128 ( 3.566 4.903 9.155) 10.980 13.414 ( -16.069 2.901 -3.702) 16.743 13.529 ( -11.491 5.223 1.400) 12.700 13.743 ( -4.294 2.813 -6.518) 8.297 14.078 ( -1.208 -5.749 -2.072) 6.229 14.121 ( -6.434 4.376 -1.509) 7.926 14.625 ( 1.283 -4.605 2.373) 5.337 14.762 ( -3.094 -2.928 -1.996) 4.704 15.277 ( 1.550 -0.305 9.794) 9.920 15.594 ( 10.110 1.737 -4.902) 11.369 16.208 ( 6.900 -0.650 0.239) 6.934 16.213 ( 6.765 -1.761 0.100) 6.991 17.006 ( 1.507 -0.150 0.024) 1.514 17.009 ( 1.319 0.717 -0.139) 1.508 18.351 ( -2.264 0.492 1.816) 2.944 18.453 ( -1.480 1.562 -2.789) 3.523 19.021 ( 13.230 4.717 3.552) 14.488 19.157 ( 15.578 4.055 -2.535) 16.295 20.639 ( -25.874 2.087 2.743) 26.102 20.804 ( -22.874 -2.779 -4.639) 23.505 22.335 ( 9.136 -0.151 2.432) 9.455 22.411 ( 10.317 -2.174 -1.042) 10.595 ======================= Grid point 109 (43/75) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -4.939 14.193 6.387) 16.329 1.147 ( -13.938 16.430 5.856) 22.328 1.351 ( -14.268 5.937 -5.640) 16.451 1.407 ( -1.986 5.137 -8.322) 9.980 1.491 ( -9.214 -1.705 3.474) 9.994 1.599 ( -3.248 -2.500 -2.757) 4.940 1.671 ( 1.590 0.173 -1.167) 1.980 1.696 ( -5.710 0.030 -0.210) 5.714 1.765 ( -3.565 -1.241 4.301) 5.723 1.839 ( -1.468 -3.077 2.055) 3.981 1.987 ( -7.896 -4.582 -0.617) 9.151 2.046 ( -8.616 -1.016 -1.434) 8.793 2.118 ( -3.864 0.567 3.502) 5.246 2.193 ( -1.455 3.452 2.827) 4.693 2.221 ( -1.837 21.485 3.023) 21.775 2.343 ( 3.168 4.305 -1.832) 5.650 2.351 ( -3.432 8.398 -0.316) 9.078 2.421 ( -2.578 -0.556 -2.198) 3.433 2.593 ( -0.559 7.106 4.295) 8.322 2.681 ( -8.101 -1.283 -3.634) 8.971 2.763 ( -6.731 4.162 -1.059) 7.984 2.853 ( -6.731 0.365 -0.380) 6.752 2.911 ( 0.209 -0.716 -0.900) 1.169 3.027 ( -8.034 -0.859 1.063) 8.150 3.078 ( -8.511 11.590 -1.673) 14.476 3.168 ( 0.839 -5.671 3.663) 6.804 3.204 ( -5.045 -4.563 -1.515) 6.969 3.270 ( 0.494 -7.561 0.953) 7.637 3.306 ( -3.752 1.955 4.144) 5.923 3.356 ( 1.933 -12.484 2.532) 12.884 3.579 ( -4.609 -0.427 -1.794) 4.964 3.717 ( -3.394 2.142 -5.440) 6.760 3.818 ( -3.684 -4.324 4.451) 7.217 3.853 ( -2.469 -2.568 3.742) 5.167 4.006 ( 1.030 -3.080 -4.227) 5.331 4.159 ( -2.678 -7.750 -5.221) 9.721 4.293 ( -0.876 -3.037 1.856) 3.665 4.402 ( -0.633 -6.151 1.553) 6.376 4.552 ( 1.083 0.822 -3.871) 4.103 4.646 ( 5.350 -4.065 -6.792) 9.554 4.973 ( 4.386 -0.016 3.398) 5.549 5.081 ( 7.770 -1.316 -2.274) 8.202 5.184 ( -3.092 0.002 0.650) 3.159 5.206 ( -7.382 -2.405 -0.245) 7.768 5.425 ( -5.484 -3.103 0.237) 6.306 5.480 ( -10.232 -2.895 -1.510) 10.740 5.794 ( 3.246 1.743 2.027) 4.205 5.894 ( 1.591 2.812 -4.692) 5.697 6.093 ( -5.218 5.488 1.315) 7.686 6.129 ( -5.656 6.771 1.205) 8.905 6.328 ( -2.447 0.954 14.755) 14.987 6.387 ( -8.113 0.019 7.037) 10.740 6.752 ( -4.694 0.012 -8.089) 9.352 7.056 ( 1.613 3.794 -19.507) 19.937 7.571 ( 13.073 -2.789 7.781) 15.467 7.705 ( 10.299 -5.865 -4.114) 12.546 7.974 ( -5.749 -0.729 4.074) 7.084 8.039 ( -0.539 -2.252 5.889) 6.328 8.112 ( -7.011 -0.433 1.681) 7.222 8.343 ( 10.521 -2.051 -1.787) 10.867 8.544 ( 1.744 -2.893 1.928) 3.890 8.636 ( -2.284 -2.946 5.356) 6.525 8.805 ( -3.823 -5.881 5.685) 9.029 8.950 ( -10.414 -1.246 -4.700) 11.493 9.177 ( 2.654 -1.576 -0.397) 3.112 9.346 ( 3.710 1.327 -6.365) 7.485 9.507 ( -6.567 -2.301 6.182) 9.308 9.832 ( -8.866 -1.173 -10.181) 13.551 10.083 ( 1.508 4.215 5.948) 7.444 10.367 ( -2.992 -0.253 1.749) 3.475 10.428 ( -4.637 2.145 1.126) 5.232 10.750 ( -9.607 0.626 -6.416) 11.569 10.974 ( 2.701 0.996 7.858) 8.369 11.157 ( 1.769 -0.059 0.156) 1.777 11.378 ( -7.230 0.006 0.124) 7.231 11.573 ( 4.713 1.148 5.289) 7.176 11.609 ( -1.952 0.069 -14.297) 14.430 11.826 ( 6.415 -4.795 -5.952) 9.978 12.317 ( 5.824 -5.410 16.344) 18.175 12.835 ( 7.153 -0.440 -9.187) 11.651 13.065 ( -6.625 2.645 1.035) 7.208 13.094 ( -14.407 -1.984 -0.581) 14.555 13.402 ( 5.826 9.546 6.516) 12.943 13.644 ( -3.003 4.359 -2.442) 5.829 13.887 ( -14.356 1.192 1.667) 14.502 14.152 ( 2.640 -2.057 -14.254) 14.642 14.693 ( 1.340 -3.246 1.689) 3.897 14.789 ( 0.552 -7.505 -0.408) 7.537 15.305 ( 1.584 -0.537 14.688) 14.783 15.746 ( 7.152 0.333 -7.266) 10.201 16.317 ( 4.217 -0.347 1.597) 4.523 16.349 ( 5.331 -2.623 -0.098) 5.943 17.024 ( 0.833 0.776 0.013) 1.138 17.030 ( 0.877 -0.141 -0.225) 0.917 18.312 ( -1.229 0.945 1.929) 2.475 18.414 ( -0.824 2.637 -2.613) 3.802 19.238 ( 15.863 8.886 4.919) 18.836 19.445 ( 20.392 6.017 -4.052) 21.644 20.133 ( -25.227 2.996 3.009) 25.582 20.384 ( -24.827 -1.875 -9.384) 26.608 22.477 ( 5.426 -1.669 5.057) 7.602 22.597 ( 6.500 -4.057 -1.070) 7.737 ======================= Grid point 110 (44/75) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 17.484 8.210) 19.316 0.872 ( 0.000 20.603 5.744) 21.389 1.100 ( 0.000 6.278 -6.206) 8.828 1.345 ( 0.000 5.184 -16.328) 17.131 1.413 ( -0.000 -2.303 5.235) 5.719 1.611 ( -0.000 -4.447 -2.282) 4.998 1.654 ( -0.000 -3.076 2.047) 3.695 1.703 ( 0.000 12.737 4.952) 13.665 1.724 ( -0.000 -0.382 0.906) 0.983 1.865 ( -0.000 -2.515 4.428) 5.093 1.887 ( -0.000 -4.106 0.326) 4.119 1.938 ( 0.000 20.428 9.063) 22.348 1.941 ( -0.000 -3.353 -0.561) 3.400 2.090 ( 0.000 3.052 4.502) 5.439 2.147 ( 0.000 4.430 6.599) 7.948 2.265 ( 0.000 6.216 -2.622) 6.747 2.356 ( 0.000 7.687 -7.019) 10.409 2.411 ( -0.000 -0.928 -4.426) 4.522 2.514 ( -0.000 -2.797 -0.494) 2.840 2.537 ( 0.000 5.308 10.434) 11.706 2.668 ( 0.000 0.652 -9.634) 9.656 2.865 ( 0.000 11.869 -3.617) 12.408 2.893 ( 0.000 3.747 4.062) 5.526 2.942 ( -0.000 -4.599 -1.085) 4.725 2.951 ( -0.000 -3.762 -1.832) 4.185 3.163 ( 0.000 1.079 -5.567) 5.670 3.233 ( -0.000 -4.685 1.913) 5.060 3.309 ( -0.000 -2.371 -2.780) 3.654 3.330 ( -0.000 -7.458 13.621) 15.529 3.500 ( -0.000 -14.056 2.145) 14.219 3.500 ( 0.000 0.277 3.418) 3.429 3.684 ( 0.000 2.252 -5.289) 5.748 3.823 ( -0.000 -2.022 1.173) 2.338 3.830 ( -0.000 -5.314 7.394) 9.106 4.059 ( -0.000 -1.403 -7.690) 7.817 4.182 ( -0.000 -8.539 -6.349) 10.641 4.297 ( -0.000 -0.048 4.571) 4.571 4.452 ( -0.000 -6.158 1.188) 6.271 4.532 ( 0.000 2.617 -1.227) 2.891 4.741 ( -0.000 -3.139 -12.843) 13.221 5.068 ( -0.000 -1.834 4.198) 4.581 5.141 ( 0.000 0.187 0.168) 0.251 5.150 ( -0.000 -2.635 -0.026) 2.635 5.220 ( -0.000 -0.901 -5.467) 5.540 5.336 ( -0.000 -0.881 0.407) 0.970 5.388 ( -0.000 -3.039 -1.839) 3.552 5.816 ( 0.000 1.222 2.294) 2.599 5.909 ( 0.000 1.550 -4.132) 4.413 5.972 ( 0.000 6.898 0.953) 6.963 6.000 ( 0.000 8.207 0.587) 8.228 6.299 ( 0.000 0.476 8.276) 8.290 6.301 ( 0.000 1.028 15.616) 15.649 6.707 ( -0.000 -0.790 -9.703) 9.735 7.034 ( 0.000 4.726 -20.039) 20.589 7.779 ( -0.000 -6.320 13.857) 15.230 7.873 ( -0.000 -0.096 -0.097) 0.136 7.907 ( -0.000 -0.396 -1.727) 1.772 7.971 ( -0.000 -10.790 -1.616) 10.911 8.108 ( -0.000 -0.727 9.906) 9.932 8.456 ( 0.000 2.183 9.995) 10.230 8.606 ( -0.000 -7.555 -8.823) 11.616 8.658 ( -0.000 -4.467 13.045) 13.789 8.801 ( 0.000 0.717 -5.585) 5.631 8.845 ( -0.000 -8.640 3.117) 9.185 9.235 ( -0.000 -3.368 0.459) 3.399 9.393 ( 0.000 1.066 -5.122) 5.232 9.428 ( -0.000 -0.121 4.397) 4.399 9.739 ( -0.000 -0.615 -10.833) 10.851 10.060 ( 0.000 5.598 6.369) 8.479 10.314 ( -0.000 -0.185 10.609) 10.610 10.395 ( 0.000 1.478 -8.456) 8.584 10.652 ( 0.000 0.223 -6.349) 6.352 11.004 ( 0.000 1.548 8.711) 8.847 11.174 ( -0.000 -0.072 3.339) 3.340 11.290 ( -0.000 -0.337 -2.031) 2.059 11.530 ( 0.000 8.020 -12.533) 14.880 11.644 ( -0.000 -0.306 -1.202) 1.240 11.937 ( -0.000 -1.737 -9.501) 9.659 12.443 ( -0.000 -9.890 15.468) 18.360 12.919 ( 0.000 5.439 -8.936) 10.461 12.953 ( -0.000 -4.553 0.628) 4.596 12.982 ( -0.000 -4.569 -0.621) 4.611 13.558 ( 0.000 4.199 0.504) 4.229 13.559 ( 0.000 7.496 13.931) 15.820 13.580 ( 0.000 4.251 -0.467) 4.276 14.195 ( -0.000 -2.167 -20.593) 20.707 14.730 ( -0.000 -2.513 2.853) 3.802 14.858 ( -0.000 -7.261 -1.660) 7.448 15.344 ( -0.000 -3.882 18.386) 18.791 15.829 ( -0.000 -1.287 -8.289) 8.388 16.367 ( -0.000 -1.742 3.716) 4.104 16.436 ( -0.000 -5.179 -0.248) 5.185 17.025 ( 0.000 0.832 0.112) 0.840 17.039 ( -0.000 -0.104 -0.422) 0.434 18.292 ( 0.000 1.004 1.843) 2.099 18.381 ( 0.000 3.151 -2.139) 3.808 19.359 ( 0.000 16.626 7.944) 18.426 19.794 ( 0.000 0.101 0.028) 0.105 19.796 ( 0.000 0.120 -0.025) 0.122 19.933 ( 0.000 9.935 -21.684) 23.851 22.559 ( -0.000 -4.641 8.091) 9.328 22.700 ( -0.000 -5.002 -0.704) 5.052 ======================= Grid point 115 (45/75) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -0.755 -0.000 5.545) 5.596 1.525 ( -2.968 -0.000 -0.161) 2.972 1.549 ( -7.046 -0.000 4.387) 8.300 1.661 ( -0.757 -0.000 -1.210) 1.427 1.678 ( 2.660 0.000 0.005) 2.660 1.757 ( 4.831 0.000 2.259) 5.333 1.804 ( -2.319 -0.000 0.349) 2.345 1.845 ( 0.697 0.000 -0.893) 1.133 1.857 ( -3.052 -0.000 1.809) 3.548 2.021 ( -0.364 -0.000 -0.485) 0.607 2.079 ( -1.525 -0.000 2.623) 3.034 2.208 ( -1.236 -0.000 0.835) 1.491 2.211 ( -6.703 -0.000 1.928) 6.975 2.232 ( 1.483 0.000 0.107) 1.487 2.327 ( -3.911 -0.000 -2.137) 4.456 2.431 ( 0.780 0.000 1.243) 1.467 2.446 ( -0.293 -0.000 -4.173) 4.184 2.612 ( -2.687 -0.000 -5.566) 6.181 2.669 ( 1.762 0.000 0.908) 1.982 2.761 ( 3.579 0.000 -3.368) 4.915 2.888 ( 5.878 0.000 0.100) 5.879 2.970 ( -0.192 -0.000 -3.380) 3.385 3.093 ( -10.710 -0.000 1.125) 10.769 3.211 ( 1.374 0.000 -0.672) 1.530 3.244 ( -4.377 -0.000 1.653) 4.679 3.277 ( -3.460 -0.000 -0.703) 3.531 3.463 ( -8.978 -0.000 -6.201) 10.911 3.520 ( -2.856 -0.000 -3.254) 4.330 3.667 ( -2.060 -0.000 0.816) 2.215 3.790 ( -10.371 -0.000 5.641) 11.806 3.819 ( -3.996 -0.000 2.142) 4.534 3.836 ( -2.386 -0.000 3.154) 3.955 3.927 ( -13.128 -0.000 1.822) 13.254 3.968 ( -3.073 -0.000 -2.301) 3.839 4.055 ( -8.047 -0.000 -1.256) 8.144 4.158 ( -7.100 -0.000 8.260) 10.892 4.278 ( -10.276 -0.000 -2.485) 10.572 4.406 ( -11.012 -0.000 -4.532) 11.908 4.567 ( -11.593 -0.000 -1.222) 11.657 4.649 ( 2.169 0.000 -1.195) 2.477 4.947 ( 0.476 0.000 0.208) 0.520 4.953 ( -2.895 -0.000 -1.192) 3.130 5.182 ( 2.517 0.000 5.866) 6.383 5.336 ( 0.098 0.000 -1.928) 1.931 5.720 ( -6.327 -0.000 -1.430) 6.486 5.725 ( -12.339 -0.000 -1.932) 12.490 5.820 ( -4.787 -0.000 4.489) 6.563 5.885 ( 6.864 0.000 3.895) 7.892 6.195 ( 2.415 0.000 1.788) 3.004 6.360 ( 3.519 0.000 -5.095) 6.192 6.565 ( -10.123 -0.000 4.562) 11.104 6.620 ( -0.580 -0.000 8.623) 8.643 6.917 ( 5.783 0.000 -10.312) 11.823 6.928 ( 2.108 0.000 -4.681) 5.134 7.223 ( 0.696 0.000 -1.292) 1.468 7.344 ( 4.443 0.000 -7.946) 9.104 7.881 ( 3.812 0.000 -3.015) 4.860 7.893 ( 6.331 0.000 -3.470) 7.219 8.214 ( -4.013 -0.000 12.935) 13.543 8.254 ( -2.287 -0.000 13.853) 14.041 8.583 ( -2.350 -0.000 1.199) 2.638 8.650 ( -4.837 -0.000 -5.842) 7.585 8.961 ( -3.680 -0.000 1.323) 3.910 9.098 ( 0.978 0.000 -9.936) 9.984 9.188 ( 0.965 0.000 0.591) 1.131 9.374 ( -7.482 -0.000 -6.047) 9.620 9.707 ( -6.909 -0.000 10.465) 12.540 10.108 ( -3.972 -0.000 -11.567) 12.230 10.125 ( -0.101 -0.000 8.352) 8.352 10.494 ( -5.345 -0.000 -3.626) 6.459 10.619 ( -1.774 -0.000 6.459) 6.698 10.995 ( 1.674 0.000 -7.627) 7.808 11.061 ( 3.402 0.000 3.255) 4.708 11.109 ( 2.369 0.000 -0.382) 2.400 11.402 ( -7.504 -0.000 2.331) 7.858 11.453 ( -7.787 -0.000 2.544) 8.192 11.841 ( -10.653 -0.000 2.598) 10.965 11.900 ( -7.477 -0.000 -1.541) 7.634 12.014 ( 1.907 0.000 5.864) 6.166 12.387 ( 14.940 0.000 -11.021) 18.565 13.087 ( 7.119 0.000 10.063) 12.327 13.577 ( 11.574 0.000 -12.645) 17.142 13.872 ( -19.127 -0.000 0.441) 19.132 13.898 ( -12.280 -0.000 -1.841) 12.417 14.081 ( -7.726 -0.000 4.880) 9.138 14.204 ( 1.842 0.000 -1.173) 2.183 14.654 ( -9.947 -0.000 3.793) 10.646 14.881 ( -8.193 -0.000 -5.880) 10.085 15.200 ( 5.358 0.000 6.611) 8.510 15.392 ( 14.166 0.000 -2.205) 14.337 16.068 ( 6.240 0.000 0.012) 6.240 16.074 ( 4.609 0.000 -0.238) 4.615 16.974 ( 1.588 0.000 0.453) 1.651 16.995 ( 1.238 0.000 -0.469) 1.324 18.402 ( -2.935 -0.000 1.625) 3.355 18.498 ( -1.768 -0.000 -2.791) 3.304 18.844 ( 11.152 0.000 2.786) 11.495 18.937 ( 12.616 0.000 -1.539) 12.709 21.126 ( -23.038 -0.000 0.983) 23.059 21.178 ( -21.745 -0.000 -1.282) 21.782 22.130 ( 13.108 0.000 1.179) 13.161 22.179 ( 12.367 0.000 -0.941) 12.402 ======================= Grid point 117 (46/75) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -6.293 4.529 7.838) 11.025 1.480 ( -2.973 -1.507 2.249) 4.021 1.511 ( -0.393 0.509 1.804) 1.915 1.646 ( -0.754 1.783 -1.052) 2.203 1.672 ( -5.251 3.056 -1.008) 6.159 1.730 ( -3.666 0.252 -2.703) 4.562 1.746 ( -4.798 2.013 -2.105) 5.613 1.786 ( -6.550 2.408 0.799) 7.024 1.827 ( -2.332 2.194 3.051) 4.422 1.948 ( -5.975 -5.885 -0.059) 8.387 1.977 ( -13.071 0.817 1.964) 13.243 2.116 ( 0.311 1.331 2.009) 2.430 2.151 ( -5.116 -3.631 -0.155) 6.275 2.238 ( 0.400 0.608 3.018) 3.105 2.352 ( 3.957 0.941 -2.146) 4.599 2.429 ( -0.096 2.255 -2.463) 3.340 2.465 ( 1.447 -0.111 0.496) 1.534 2.566 ( 0.246 1.546 -3.187) 3.550 2.701 ( 1.008 5.776 1.008) 5.949 2.797 ( 1.050 3.665 -4.296) 5.744 2.907 ( -7.205 -4.870 1.558) 8.835 2.958 ( 0.152 1.494 0.117) 1.506 2.990 ( 0.225 -3.441 1.941) 3.957 3.100 ( -6.052 -0.814 -1.915) 6.399 3.122 ( -13.946 -5.090 -0.523) 14.855 3.208 ( -3.700 2.889 -5.439) 7.185 3.294 ( -11.791 1.445 2.186) 12.079 3.428 ( -16.581 3.389 3.429) 17.267 3.477 ( -5.521 -5.045 -3.479) 8.249 3.560 ( -11.248 -0.607 -2.947) 11.643 3.658 ( -9.023 11.635 2.682) 14.967 3.742 ( -5.475 0.203 0.425) 5.495 3.804 ( -4.003 -3.604 4.671) 7.130 3.829 ( -1.751 -1.709 4.940) 5.513 3.971 ( -4.815 -9.506 2.326) 10.907 4.080 ( -6.964 0.148 -8.882) 11.288 4.258 ( 5.293 0.484 -2.265) 5.778 4.286 ( -1.526 -2.800 -6.147) 6.925 4.409 ( -5.512 -1.553 7.241) 9.232 4.660 ( 0.665 2.474 -3.385) 4.245 4.940 ( 1.304 -1.004 0.488) 1.717 4.957 ( 0.417 -0.679 0.061) 0.799 5.219 ( 0.505 0.373 2.209) 2.296 5.301 ( -4.857 -0.864 -1.570) 5.177 5.505 ( -8.986 0.874 1.803) 9.207 5.569 ( -10.397 -3.914 -0.311) 11.114 5.786 ( 0.985 1.192 2.356) 2.818 5.956 ( 1.658 1.894 -4.335) 5.013 6.234 ( 0.559 0.860 2.297) 2.516 6.328 ( -4.914 1.477 -1.597) 5.373 6.413 ( -5.880 -0.488 10.537) 12.076 6.535 ( -8.155 -0.415 8.150) 11.537 6.879 ( -5.495 1.059 -5.485) 7.836 7.045 ( 6.018 0.704 -16.236) 17.330 7.309 ( 9.515 -0.121 2.533) 9.847 7.456 ( 6.906 -0.984 -6.579) 9.589 7.957 ( 3.526 -0.151 -0.349) 3.546 8.047 ( 8.086 -0.201 -2.084) 8.352 8.140 ( -2.246 0.709 6.367) 6.789 8.195 ( -5.677 -3.306 7.075) 9.655 8.537 ( -0.837 2.810 1.803) 3.443 8.597 ( -2.671 -3.662 0.475) 4.558 8.837 ( -8.098 -1.245 7.061) 10.817 9.096 ( -1.934 0.886 -7.079) 7.392 9.196 ( -7.908 0.706 -3.249) 8.578 9.275 ( 4.802 -0.709 -5.678) 7.470 9.578 ( -6.905 -1.218 10.173) 12.356 9.982 ( -9.010 -0.437 -11.600) 14.694 10.127 ( 0.629 1.021 5.923) 6.043 10.407 ( -3.614 -0.461 -2.995) 4.716 10.571 ( -4.411 0.109 8.419) 9.505 10.966 ( -8.886 -1.058 -7.216) 11.496 11.004 ( -4.608 1.027 4.916) 6.816 11.128 ( 0.368 0.188 -1.491) 1.547 11.363 ( 3.377 0.444 1.569) 3.750 11.452 ( 7.166 -1.803 -3.519) 8.185 11.640 ( -9.545 -0.847 3.574) 10.227 11.780 ( -6.135 -0.638 -5.433) 8.220 12.125 ( 7.858 -0.762 13.262) 15.434 12.643 ( 11.818 -0.330 -11.960) 16.818 13.185 ( 2.948 1.808 9.382) 9.999 13.438 ( -20.995 0.478 -1.170) 21.033 13.630 ( -9.328 5.250 -4.605) 11.653 13.761 ( -0.381 -0.478 -9.081) 9.101 13.987 ( -4.944 -3.555 6.542) 8.938 14.184 ( -2.362 2.032 -3.856) 4.958 14.572 ( 1.048 -1.594 3.349) 3.854 14.740 ( -5.928 -0.337 -3.751) 7.023 15.272 ( 2.498 -0.182 10.379) 10.676 15.612 ( 9.537 0.495 -5.440) 10.991 16.193 ( 7.428 -0.501 0.231) 7.448 16.204 ( 7.319 -0.138 -0.215) 7.324 17.004 ( 1.484 -0.072 0.284) 1.512 17.018 ( 1.229 0.257 -0.324) 1.297 18.356 ( -1.997 0.165 2.053) 2.869 18.471 ( -1.024 0.545 -3.088) 3.299 19.073 ( 14.105 1.548 3.388) 14.589 19.198 ( 15.864 1.118 -2.240) 16.061 20.667 ( -25.458 1.117 1.745) 25.542 20.766 ( -22.951 -1.431 -2.584) 23.140 22.336 ( 9.124 0.223 1.391) 9.232 22.383 ( 9.176 -1.064 -0.633) 9.259 ======================= Grid point 118 (47/75) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -2.236 7.057 5.052) 8.962 1.392 ( -13.953 9.479 1.713) 16.955 1.429 ( -10.358 4.809 -2.141) 11.619 1.458 ( -8.028 0.151 1.557) 8.179 1.492 ( -3.747 3.696 3.572) 6.361 1.599 ( -4.119 2.604 -4.382) 6.553 1.660 ( -5.942 -1.882 1.789) 6.485 1.708 ( -5.984 1.176 -3.841) 7.207 1.728 ( -0.810 -1.561 3.671) 4.070 1.806 ( -0.021 -1.335 1.747) 2.198 1.895 ( -7.839 -6.260 0.550) 10.047 1.993 ( -11.407 -3.380 -2.462) 12.149 2.164 ( 3.345 3.913 5.449) 7.496 2.259 ( 1.712 3.821 2.415) 4.834 2.374 ( 1.005 0.932 -2.268) 2.650 2.414 ( 0.014 3.090 -2.853) 4.205 2.465 ( 1.026 5.133 1.184) 5.367 2.563 ( 0.054 11.052 -3.092) 11.477 2.620 ( -2.918 -1.656 -1.905) 3.858 2.707 ( -9.857 3.524 -4.278) 11.309 2.807 ( -4.548 0.235 1.377) 4.758 2.880 ( -2.408 -0.386 -1.680) 2.961 2.952 ( -5.705 -0.718 1.713) 6.000 3.007 ( -7.670 1.178 -0.865) 7.808 3.057 ( 0.222 -4.011 5.022) 6.431 3.119 ( -0.489 -8.504 2.893) 8.996 3.176 ( -5.303 4.297 1.956) 7.100 3.192 ( 0.335 -2.729 1.201) 3.001 3.310 ( -8.031 11.321 -1.827) 14.000 3.343 ( -8.068 2.514 0.401) 8.460 3.543 ( -2.216 -2.477 -0.223) 3.331 3.710 ( -2.729 -5.485 1.881) 6.409 3.789 ( 0.810 1.267 -0.421) 1.562 3.830 ( -0.081 -1.327 -1.314) 1.869 3.953 ( -2.571 -3.490 -2.119) 4.825 4.040 ( -1.020 -5.925 -3.627) 7.021 4.210 ( -4.678 -5.665 -2.396) 7.728 4.359 ( 0.046 -0.083 8.763) 8.764 4.465 ( 5.821 -7.964 -7.786) 12.567 4.647 ( 0.771 3.122 -3.141) 4.495 4.971 ( 1.483 -0.461 1.624) 2.247 5.031 ( 5.347 -4.098 -1.322) 6.865 5.180 ( -6.521 -0.376 -0.344) 6.541 5.194 ( -2.344 0.542 -0.750) 2.520 5.380 ( -6.032 -1.756 1.491) 6.457 5.422 ( -8.382 -3.603 -0.366) 9.131 5.826 ( 3.849 1.665 1.222) 4.368 5.945 ( 0.408 2.845 -5.948) 6.606 6.171 ( -4.898 3.852 1.251) 6.356 6.213 ( -4.516 3.209 0.525) 5.565 6.349 ( -1.167 1.309 15.548) 15.647 6.377 ( -7.662 -1.083 8.242) 11.305 6.759 ( -5.451 0.652 -7.729) 9.480 7.108 ( 2.516 2.279 -20.024) 20.309 7.538 ( 12.532 -1.232 4.919) 13.519 7.617 ( 7.929 -4.208 -1.959) 9.187 7.963 ( -4.699 -0.651 2.795) 5.506 8.010 ( -6.991 -0.858 3.167) 7.723 8.122 ( -0.321 0.942 1.695) 1.966 8.290 ( 9.777 -3.398 -4.946) 11.472 8.523 ( 0.174 0.208 4.593) 4.601 8.591 ( -1.107 -2.499 5.803) 6.414 8.726 ( -4.916 -3.487 5.403) 8.095 8.937 ( -10.686 -0.405 -5.295) 11.933 9.160 ( 1.206 -0.593 1.465) 1.988 9.370 ( 4.733 1.282 -6.055) 7.792 9.478 ( -4.805 -1.220 5.862) 7.677 9.815 ( -8.455 -0.782 -10.769) 13.714 10.135 ( 1.430 2.013 5.121) 5.685 10.355 ( -3.439 -0.842 5.181) 6.275 10.467 ( -3.626 2.045 -2.335) 4.773 10.758 ( -10.036 0.311 -6.324) 11.866 10.980 ( 1.804 -0.066 9.216) 9.391 11.156 ( 1.642 -0.063 0.525) 1.725 11.378 ( -7.679 0.189 0.263) 7.685 11.507 ( 3.711 -4.799 -0.637) 6.100 11.653 ( 2.127 1.953 -6.914) 7.493 11.736 ( 3.545 -4.535 -5.703) 8.103 12.278 ( 7.238 -0.422 17.229) 18.693 12.816 ( 5.832 -1.379 -7.454) 9.565 13.070 ( -16.652 -0.876 0.104) 16.676 13.122 ( -6.047 3.191 -2.901) 7.427 13.537 ( 4.799 6.380 1.667) 8.155 13.697 ( -4.028 1.895 -2.603) 5.157 13.881 ( -9.801 -1.451 4.392) 10.838 14.158 ( 1.455 1.823 -10.931) 11.177 14.646 ( 2.371 -2.118 0.408) 3.206 14.692 ( -0.470 -4.020 -0.345) 4.062 15.306 ( 1.378 0.301 13.797) 13.869 15.747 ( 5.243 -0.234 -7.310) 8.999 16.316 ( 4.366 0.130 0.399) 4.386 16.328 ( 5.862 -0.301 -0.153) 5.871 17.027 ( 0.866 -0.152 0.103) 0.885 17.034 ( 0.758 0.410 -0.196) 0.884 18.325 ( -1.043 0.571 2.286) 2.577 18.449 ( -0.480 1.473 -3.222) 3.576 19.343 ( 17.332 3.920 4.383) 18.303 19.507 ( 18.670 1.981 -2.852) 18.990 20.177 ( -25.191 2.064 2.650) 25.414 20.353 ( -22.742 -1.632 -5.260) 23.400 22.465 ( 4.811 0.033 2.603) 5.470 22.537 ( 5.387 -2.990 -0.718) 6.203 ======================= Grid point 119 (48/75) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 13.016 4.740) 13.852 1.177 ( 0.000 15.490 4.080) 16.018 1.205 ( 0.000 6.024 -3.342) 6.889 1.375 ( -0.000 -1.308 5.097) 5.262 1.462 ( 0.000 7.724 -8.050) 11.156 1.537 ( -0.000 -3.995 0.266) 4.004 1.594 ( -0.000 -3.380 1.082) 3.549 1.706 ( -0.000 -0.892 -1.330) 1.601 1.766 ( 0.000 0.738 2.283) 2.399 1.821 ( -0.000 -1.732 1.905) 2.575 1.822 ( -0.000 -3.707 -0.520) 3.743 1.872 ( -0.000 -4.966 -1.278) 5.128 2.166 ( 0.000 6.005 4.934) 7.772 2.217 ( 0.000 5.125 6.332) 8.147 2.371 ( 0.000 5.797 -3.401) 6.721 2.386 ( 0.000 0.009 -2.868) 2.868 2.421 ( 0.000 22.220 -2.156) 22.324 2.472 ( -0.000 -1.761 0.355) 1.797 2.488 ( 0.000 8.696 -2.982) 9.193 2.645 ( -0.000 -4.022 -9.159) 10.003 2.729 ( 0.000 17.645 11.447) 21.033 2.864 ( -0.000 -3.702 1.351) 3.941 2.887 ( -0.000 -3.816 0.068) 3.816 2.902 ( -0.000 -0.023 1.293) 1.294 3.099 ( 0.000 1.309 1.525) 2.010 3.117 ( 0.000 5.277 -2.712) 5.933 3.196 ( 0.000 1.096 -1.207) 1.631 3.213 ( -0.000 -6.101 5.808) 8.424 3.233 ( -0.000 -4.996 -0.677) 5.041 3.261 ( -0.000 -13.595 1.735) 13.705 3.523 ( 0.000 1.417 1.477) 2.047 3.726 ( -0.000 -6.028 5.979) 8.490 3.792 ( 0.000 7.745 -9.524) 12.276 3.800 ( -0.000 -0.841 2.624) 2.756 4.020 ( -0.000 -10.173 -5.344) 11.491 4.033 ( -0.000 -1.486 -6.639) 6.804 4.232 ( -0.000 -8.187 2.663) 8.609 4.368 ( -0.000 -1.881 7.937) 8.157 4.570 ( -0.000 -1.410 -7.040) 7.180 4.660 ( -0.000 -4.294 -6.814) 8.054 5.012 ( -0.000 -3.109 4.637) 5.583 5.115 ( -0.000 -1.008 0.528) 1.138 5.159 ( -0.000 -5.794 -3.071) 6.557 5.160 ( 0.000 1.183 -1.498) 1.909 5.313 ( -0.000 -1.949 0.464) 2.003 5.346 ( -0.000 -1.547 -1.012) 1.848 5.853 ( 0.000 2.731 0.831) 2.855 5.941 ( 0.000 1.998 -5.380) 5.739 6.068 ( 0.000 4.438 1.625) 4.726 6.123 ( 0.000 6.362 0.813) 6.413 6.300 ( -0.000 -0.482 7.852) 7.866 6.332 ( 0.000 2.380 17.091) 17.256 6.700 ( 0.000 0.015 -9.078) 9.078 7.106 ( 0.000 3.672 -20.784) 21.106 7.712 ( -0.000 -2.512 8.492) 8.856 7.792 ( -0.000 -9.435 2.145) 9.675 7.873 ( 0.000 0.104 -0.460) 0.472 7.901 ( -0.000 -0.282 -2.174) 2.193 8.123 ( 0.000 1.917 5.096) 5.445 8.467 ( -0.000 -7.825 -9.008) 11.932 8.490 ( 0.000 1.713 9.681) 9.831 8.606 ( -0.000 -2.219 10.294) 10.531 8.729 ( -0.000 -6.038 2.779) 6.647 8.812 ( 0.000 0.575 -5.005) 5.038 9.189 ( -0.000 -2.056 2.240) 3.041 9.415 ( 0.000 1.351 -5.910) 6.062 9.426 ( -0.000 -0.106 4.087) 4.088 9.729 ( -0.000 -0.547 -10.842) 10.856 10.131 ( 0.000 3.030 5.296) 6.102 10.311 ( -0.000 -0.154 10.893) 10.894 10.428 ( 0.000 2.076 -9.017) 9.253 10.655 ( 0.000 0.204 -6.389) 6.392 11.014 ( -0.000 -0.101 12.267) 12.268 11.172 ( -0.000 -0.067 3.181) 3.181 11.285 ( -0.000 -0.307 -1.979) 2.002 11.572 ( -0.000 -3.518 -12.874) 13.346 11.651 ( 0.000 2.736 -0.730) 2.831 11.851 ( -0.000 -6.775 -5.425) 8.679 12.359 ( -0.000 -0.768 19.264) 19.280 12.886 ( -0.000 -3.315 0.634) 3.375 12.915 ( -0.000 -3.313 -0.611) 3.369 13.018 ( 0.000 5.458 -13.161) 14.248 13.619 ( 0.000 3.008 0.517) 3.052 13.642 ( 0.000 3.040 -0.483) 3.078 13.684 ( 0.000 6.378 8.712) 10.797 14.171 ( -0.000 -0.221 -15.797) 15.798 14.678 ( -0.000 -3.059 2.008) 3.659 14.747 ( -0.000 -5.690 -1.043) 5.785 15.319 ( -0.000 -0.082 15.787) 15.787 15.807 ( -0.000 -1.321 -8.280) 8.384 16.357 ( 0.000 0.048 1.233) 1.233 16.391 ( -0.000 -0.833 -0.426) 0.936 17.037 ( -0.000 -0.165 -0.071) 0.179 17.037 ( 0.000 0.555 -0.105) 0.565 18.309 ( 0.000 0.912 2.251) 2.429 18.428 ( 0.000 2.327 -3.047) 3.834 19.579 ( 0.000 9.733 8.084) 12.653 19.796 ( 0.000 0.090 0.034) 0.096 19.798 ( 0.000 0.105 -0.032) 0.109 20.015 ( 0.000 1.722 -11.792) 11.917 22.515 ( -0.000 -1.114 4.346) 4.486 22.621 ( -0.000 -4.349 -0.898) 4.441 ======================= Grid point 126 (49/75) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -3.353 -0.000 4.379) 5.515 1.425 ( -8.964 -0.000 -0.306) 8.969 1.458 ( -9.611 -0.000 1.387) 9.711 1.486 ( -4.213 -0.000 2.781) 5.049 1.592 ( -5.612 -0.000 -1.430) 5.791 1.603 ( -11.642 -0.000 3.604) 12.187 1.672 ( -8.913 -0.000 1.622) 9.060 1.712 ( -4.162 -0.000 -5.377) 6.800 1.722 ( -0.605 -0.000 3.447) 3.499 1.776 ( -0.743 -0.000 -1.557) 1.725 1.821 ( -4.886 -0.000 3.690) 6.123 1.964 ( -10.639 -0.000 -2.765) 10.992 2.207 ( 5.282 0.000 5.998) 7.992 2.295 ( 4.493 0.000 1.339) 4.689 2.392 ( -0.869 -0.000 -2.930) 3.057 2.416 ( -2.589 -0.000 -1.590) 3.038 2.507 ( 0.542 0.000 0.505) 0.741 2.605 ( 1.071 0.000 -3.131) 3.309 2.682 ( -4.216 -0.000 2.281) 4.794 2.759 ( -7.815 -0.000 -0.751) 7.851 2.784 ( -6.957 -0.000 0.103) 6.958 2.861 ( 1.873 0.000 -3.251) 3.752 2.934 ( -6.204 -0.000 -0.446) 6.220 2.971 ( -5.048 -0.000 -2.515) 5.640 3.034 ( -4.446 -0.000 4.006) 5.985 3.049 ( 2.705 0.000 1.610) 3.148 3.119 ( -4.515 -0.000 0.496) 4.542 3.287 ( -8.929 -0.000 -6.299) 10.927 3.397 ( -6.668 -0.000 -1.543) 6.844 3.433 ( 2.154 0.000 -3.727) 4.305 3.613 ( -4.370 -0.000 2.417) 4.993 3.632 ( -3.319 -0.000 1.990) 3.870 3.717 ( -1.441 -0.000 5.332) 5.523 3.801 ( -0.783 -0.000 4.575) 4.641 3.927 ( 2.958 0.000 3.414) 4.517 3.988 ( -2.749 -0.000 -8.262) 8.707 4.156 ( -7.199 -0.000 -3.635) 8.064 4.331 ( -1.865 -0.000 9.553) 9.733 4.427 ( 7.147 0.000 -8.007) 10.733 4.681 ( 0.554 0.000 -4.792) 4.824 4.964 ( 0.795 0.000 1.094) 1.353 4.985 ( 3.741 0.000 -0.599) 3.789 5.178 ( -6.564 -0.000 -0.194) 6.567 5.201 ( -1.971 -0.000 -1.250) 2.334 5.372 ( -8.244 -0.000 0.971) 8.301 5.382 ( -4.967 -0.000 0.249) 4.973 5.841 ( 4.123 0.000 1.346) 4.337 5.972 ( -0.286 -0.000 -6.213) 6.220 6.210 ( -7.097 -0.000 0.221) 7.101 6.236 ( -1.082 -0.000 0.037) 1.082 6.362 ( -8.427 -0.000 9.541) 12.730 6.364 ( -0.220 -0.000 16.169) 16.171 6.765 ( -5.812 -0.000 -7.723) 9.666 7.127 ( 2.847 0.000 -20.143) 20.343 7.529 ( 12.222 0.000 3.991) 12.857 7.579 ( 6.868 0.000 -0.997) 6.940 7.957 ( -4.257 -0.000 2.461) 4.917 8.005 ( -8.409 -0.000 2.311) 8.721 8.132 ( 1.940 0.000 1.374) 2.377 8.258 ( 9.011 0.000 -4.907) 10.260 8.532 ( -1.539 -0.000 3.986) 4.273 8.563 ( 0.941 0.000 5.856) 5.931 8.696 ( -5.861 -0.000 5.659) 8.147 8.934 ( -10.552 -0.000 -5.315) 11.815 9.155 ( 0.670 0.000 2.246) 2.344 9.381 ( 5.055 0.000 -6.180) 7.984 9.467 ( -4.305 -0.000 5.926) 7.325 9.808 ( -8.233 -0.000 -10.963) 13.710 10.151 ( 1.365 0.000 4.866) 5.053 10.347 ( -3.053 -0.000 5.780) 6.537 10.485 ( -3.633 -0.000 -2.973) 4.694 10.760 ( -10.017 -0.000 -6.289) 11.827 10.979 ( 1.397 0.000 9.660) 9.761 11.155 ( 1.611 0.000 0.523) 1.694 11.383 ( -8.984 -0.000 0.061) 8.985 11.460 ( 4.526 0.000 -0.269) 4.534 11.664 ( 7.374 0.000 -2.409) 7.757 11.700 ( -1.670 -0.000 -9.675) 9.818 12.277 ( 8.037 0.000 17.139) 18.930 12.803 ( 5.215 0.000 -6.724) 8.509 13.063 ( -17.544 -0.000 0.420) 17.549 13.151 ( -5.588 -0.000 -4.048) 6.900 13.596 ( 3.686 0.000 -1.729) 4.072 13.710 ( -4.602 -0.000 -2.664) 5.317 13.865 ( -6.447 -0.000 7.615) 9.977 14.178 ( 0.267 0.000 -10.130) 10.134 14.628 ( 3.947 0.000 0.050) 3.947 14.658 ( -2.352 -0.000 -0.697) 2.453 15.309 ( 1.472 0.000 13.625) 13.704 15.744 ( 4.561 0.000 -7.091) 8.431 16.318 ( 4.520 0.000 0.126) 4.521 16.327 ( 6.202 0.000 -0.303) 6.209 17.026 ( 0.853 0.000 0.233) 0.884 17.037 ( 0.721 0.000 -0.276) 0.773 18.330 ( -0.967 -0.000 2.423) 2.609 18.461 ( -0.358 -0.000 -3.415) 3.434 19.374 ( 17.583 0.000 4.077) 18.050 19.522 ( 18.111 0.000 -2.488) 18.281 20.195 ( -25.217 -0.000 2.333) 25.325 20.338 ( -22.009 -0.000 -3.891) 22.350 22.469 ( 4.873 0.000 1.461) 5.087 22.507 ( 4.811 0.000 -0.198) 4.815 ======================= Grid point 128 (50/75) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 3.120 4.257) 5.278 1.255 ( -0.000 -0.274 -1.674) 1.696 1.376 ( 0.000 8.406 3.454) 9.088 1.425 ( 0.000 4.737 2.158) 5.206 1.501 ( 0.000 0.965 2.998) 3.150 1.505 ( -0.000 -3.684 3.624) 5.168 1.589 ( 0.000 3.040 -0.974) 3.192 1.696 ( -0.000 -0.321 -7.369) 7.376 1.746 ( -0.000 -5.396 1.254) 5.540 1.778 ( 0.000 0.629 0.735) 0.968 1.802 ( -0.000 -0.584 1.952) 2.037 1.804 ( -0.000 -1.957 -1.608) 2.533 2.278 ( 0.000 1.958 7.668) 7.914 2.286 ( 0.000 8.183 2.073) 8.441 2.383 ( 0.000 0.040 -1.416) 1.416 2.399 ( -0.000 -3.184 -3.184) 4.503 2.468 ( -0.000 -0.918 1.020) 1.372 2.572 ( -0.000 -1.510 -3.851) 4.136 2.622 ( 0.000 7.730 -0.710) 7.763 2.687 ( 0.000 9.854 -2.262) 10.110 2.808 ( -0.000 -5.338 2.602) 5.938 2.833 ( -0.000 -0.630 1.379) 1.516 2.838 ( -0.000 -1.538 0.837) 1.750 2.948 ( -0.000 -2.569 -6.708) 7.183 3.073 ( -0.000 -6.831 1.143) 6.926 3.083 ( 0.000 1.502 0.286) 1.529 3.125 ( -0.000 -2.098 -0.474) 2.151 3.152 ( -0.000 -2.024 -1.053) 2.281 3.301 ( 0.000 7.541 0.166) 7.543 3.369 ( 0.000 17.550 -0.195) 17.551 3.522 ( 0.000 0.916 3.077) 3.211 3.645 ( -0.000 -3.352 5.574) 6.505 3.792 ( -0.000 -0.212 3.347) 3.354 3.797 ( -0.000 -13.633 -4.281) 14.289 3.932 ( 0.000 4.646 -3.920) 6.078 4.015 ( -0.000 -0.596 -5.929) 5.959 4.077 ( -0.000 -8.891 2.868) 9.343 4.333 ( -0.000 -3.770 11.888) 12.472 4.498 ( -0.000 -0.432 -11.880) 11.888 4.678 ( 0.000 2.133 -4.350) 4.845 4.980 ( -0.000 -1.028 2.269) 2.491 5.056 ( -0.000 -4.841 -2.183) 5.311 5.108 ( -0.000 -0.083 0.721) 0.726 5.175 ( 0.000 0.464 -2.479) 2.522 5.285 ( -0.000 -0.987 1.188) 1.545 5.332 ( -0.000 -0.374 -1.087) 1.149 5.893 ( 0.000 1.565 0.278) 1.590 5.966 ( 0.000 0.770 -4.967) 5.027 6.117 ( 0.000 1.483 2.089) 2.562 6.206 ( 0.000 3.310 -0.299) 3.324 6.282 ( -0.000 -1.392 9.041) 9.147 6.364 ( 0.000 1.084 17.300) 17.333 6.704 ( 0.000 0.229 -8.972) 8.975 7.149 ( 0.000 1.395 -21.006) 21.052 7.681 ( -0.000 -2.635 4.542) 5.251 7.686 ( -0.000 -1.657 5.714) 5.949 7.875 ( 0.000 0.069 -0.552) 0.556 7.898 ( -0.000 -0.085 -2.443) 2.444 8.156 ( 0.000 1.404 2.153) 2.570 8.373 ( -0.000 -3.020 -7.158) 7.769 8.510 ( 0.000 0.633 9.478) 9.499 8.581 ( -0.000 -0.783 7.678) 7.717 8.649 ( -0.000 -2.943 2.537) 3.885 8.819 ( 0.000 0.214 -4.666) 4.671 9.167 ( -0.000 -0.621 3.796) 3.847 9.425 ( -0.000 -0.042 3.883) 3.883 9.433 ( 0.000 0.596 -6.125) 6.154 9.722 ( -0.000 -0.218 -10.850) 10.852 10.164 ( 0.000 0.988 4.866) 4.965 10.309 ( -0.000 -0.059 11.079) 11.079 10.453 ( 0.000 0.800 -9.738) 9.771 10.658 ( 0.000 0.082 -6.415) 6.416 11.009 ( -0.000 -0.225 13.873) 13.875 11.172 ( -0.000 -0.028 3.077) 3.077 11.281 ( -0.000 -0.124 -1.942) 1.946 11.508 ( -0.000 -2.651 -5.893) 6.462 11.691 ( 0.000 1.723 -7.406) 7.603 11.759 ( -0.000 -3.522 -3.903) 5.257 12.369 ( 0.000 0.820 19.677) 19.694 12.848 ( -0.000 -1.193 0.639) 1.354 12.876 ( -0.000 -1.190 -0.607) 1.336 13.082 ( 0.000 2.014 -14.793) 14.930 13.653 ( 0.000 1.073 0.525) 1.194 13.677 ( 0.000 1.084 -0.491) 1.190 13.755 ( 0.000 2.114 7.335) 7.634 14.180 ( 0.000 0.700 -12.838) 12.857 14.643 ( -0.000 -0.974 1.232) 1.571 14.679 ( -0.000 -2.304 -1.255) 2.624 15.323 ( 0.000 0.236 14.923) 14.925 15.789 ( -0.000 -0.654 -7.558) 7.586 16.360 ( 0.000 0.230 0.494) 0.544 16.389 ( 0.000 0.190 -0.843) 0.864 17.034 ( -0.000 -0.101 0.171) 0.199 17.043 ( 0.000 0.179 -0.235) 0.296 18.319 ( 0.000 0.337 2.516) 2.538 18.454 ( 0.000 0.818 -3.476) 3.571 19.684 ( 0.000 3.076 7.288) 7.910 19.797 ( 0.000 0.036 0.038) 0.052 19.799 ( 0.000 0.041 -0.036) 0.055 20.024 ( 0.000 0.004 -7.730) 7.730 22.512 ( 0.000 0.500 2.026) 2.086 22.563 ( -0.000 -2.307 -0.277) 2.323 ======================= Grid point 170 (51/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 0.000 0.000 -16.689) 16.689 0.716 ( 0.000 0.000 16.689) 16.689 0.944 ( 0.000 0.000 -20.596) 20.596 0.944 ( 0.000 0.000 20.596) 20.596 1.489 ( 0.000 0.000 -29.049) 29.049 1.489 ( 0.000 0.000 29.049) 29.049 1.585 ( 0.000 0.000 -7.182) 7.182 1.585 ( 0.000 0.000 7.182) 7.182 1.771 ( 0.000 0.000 -1.152) 1.152 1.771 ( 0.000 0.000 1.152) 1.152 1.911 ( 0.000 0.000 -5.739) 5.739 1.911 ( 0.000 0.000 5.739) 5.739 1.995 ( 0.000 0.000 -0.509) 0.509 1.995 ( 0.000 0.000 0.509) 0.509 2.111 ( 0.000 0.000 -0.315) 0.315 2.111 ( 0.000 0.000 0.315) 0.315 2.331 ( 0.000 0.000 -7.575) 7.575 2.331 ( 0.000 0.000 7.575) 7.575 2.541 ( 0.000 0.000 -0.737) 0.737 2.541 ( 0.000 0.000 0.737) 0.737 2.705 ( 0.000 0.000 -3.593) 3.593 2.705 ( 0.000 0.000 3.593) 3.593 3.006 ( 0.000 0.000 -0.726) 0.726 3.006 ( 0.000 0.000 0.726) 0.726 3.066 ( 0.000 0.000 -7.050) 7.050 3.066 ( 0.000 0.000 7.050) 7.050 3.241 ( 0.000 0.000 -2.092) 2.092 3.241 ( 0.000 0.000 2.092) 2.092 3.626 ( 0.000 0.000 -4.272) 4.272 3.626 ( 0.000 0.000 4.272) 4.272 3.737 ( 0.000 0.000 -9.983) 9.983 3.737 ( 0.000 0.000 9.983) 9.983 3.919 ( 0.000 0.000 -5.552) 5.552 3.919 ( 0.000 0.000 5.552) 5.552 4.123 ( 0.000 0.000 -3.594) 3.594 4.123 ( 0.000 0.000 3.594) 3.594 4.348 ( 0.000 0.000 -6.569) 6.569 4.348 ( 0.000 0.000 6.569) 6.569 4.666 ( 0.000 0.000 -3.446) 3.446 4.666 ( 0.000 0.000 3.446) 3.446 5.014 ( 0.000 0.000 -0.187) 0.187 5.014 ( 0.000 0.000 0.187) 0.187 5.206 ( 0.000 0.000 -3.393) 3.393 5.206 ( 0.000 0.000 3.393) 3.393 5.389 ( 0.000 0.000 -2.869) 2.869 5.389 ( 0.000 0.000 2.869) 2.869 5.805 ( 0.000 0.000 -0.071) 0.071 5.805 ( 0.000 0.000 0.071) 0.071 5.886 ( 0.000 0.000 -1.314) 1.314 5.886 ( 0.000 0.000 1.314) 1.314 6.495 ( 0.000 0.000 -13.377) 13.377 6.495 ( 0.000 0.000 13.377) 13.377 6.578 ( 0.000 0.000 -18.439) 18.439 6.578 ( 0.000 0.000 18.439) 18.439 7.895 ( 0.000 0.000 -1.099) 1.099 7.895 ( 0.000 0.000 1.099) 1.099 8.111 ( 0.000 0.000 -5.654) 5.654 8.111 ( 0.000 0.000 5.654) 5.654 8.513 ( 0.000 0.000 -15.072) 15.072 8.513 ( 0.000 0.000 15.072) 15.072 8.619 ( 0.000 0.000 -11.408) 11.408 8.619 ( 0.000 0.000 11.408) 11.408 9.113 ( 0.000 0.000 -8.579) 8.579 9.113 ( 0.000 0.000 8.579) 8.579 9.416 ( 0.000 0.000 -6.936) 6.936 9.416 ( 0.000 0.000 6.936) 6.936 9.561 ( 0.000 0.000 -9.364) 9.364 9.561 ( 0.000 0.000 9.364) 9.364 10.101 ( 0.000 0.000 -2.319) 2.319 10.101 ( 0.000 0.000 2.319) 2.319 10.501 ( 0.000 0.000 -9.482) 9.482 10.501 ( 0.000 0.000 9.482) 9.482 10.970 ( 0.000 0.000 -10.294) 10.294 10.970 ( 0.000 0.000 10.294) 10.294 11.244 ( 0.000 0.000 -3.631) 3.631 11.244 ( 0.000 0.000 3.631) 3.631 11.639 ( 0.000 0.000 -6.679) 6.679 11.639 ( 0.000 0.000 6.679) 6.679 12.812 ( 0.000 0.000 -7.026) 7.026 12.812 ( 0.000 0.000 7.026) 7.026 13.077 ( 0.000 0.000 -0.911) 0.911 13.077 ( 0.000 0.000 0.911) 0.911 13.466 ( 0.000 0.000 -0.633) 0.633 13.466 ( 0.000 0.000 0.633) 0.633 13.892 ( 0.000 0.000 -2.025) 2.025 13.892 ( 0.000 0.000 2.025) 2.025 14.862 ( 0.000 0.000 -7.708) 7.708 14.862 ( 0.000 0.000 7.708) 7.708 15.774 ( 0.000 0.000 -0.928) 0.928 15.774 ( 0.000 0.000 0.928) 0.928 16.692 ( 0.000 0.000 -2.869) 2.869 16.692 ( 0.000 0.000 2.869) 2.869 17.029 ( 0.000 0.000 -0.967) 0.967 17.029 ( 0.000 0.000 0.967) 0.967 18.315 ( 0.000 0.000 -0.292) 0.292 18.315 ( 0.000 0.000 0.292) 0.292 18.903 ( 0.000 0.000 -0.762) 0.762 18.903 ( 0.000 0.000 0.762) 0.762 19.793 ( 0.000 0.000 -0.025) 0.025 19.793 ( 0.000 0.000 0.025) 0.025 22.829 ( 0.000 0.000 -1.359) 1.359 22.829 ( 0.000 0.000 1.359) 1.359 ======================= Grid point 172 (52/75) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 12.289 -4.196 -12.640) 18.122 0.913 ( 12.289 -4.196 12.640) 18.122 1.023 ( 10.141 0.088 -16.622) 19.472 1.023 ( 10.141 0.088 16.622) 19.472 1.628 ( 7.331 -0.426 -11.905) 13.988 1.628 ( 7.331 -0.426 11.905) 13.988 1.670 ( 2.968 0.097 -1.582) 3.365 1.670 ( 2.968 0.097 1.582) 3.365 1.738 ( 8.307 -6.550 -10.635) 15.001 1.738 ( 8.307 -6.550 10.635) 15.001 1.905 ( -0.328 -1.635 -5.494) 5.741 1.905 ( -0.328 -1.635 5.494) 5.741 2.154 ( 3.410 -0.174 -2.777) 4.401 2.154 ( 3.410 -0.174 2.777) 4.401 2.205 ( 13.238 1.823 -0.737) 13.384 2.205 ( 13.238 1.823 0.737) 13.384 2.339 ( 2.320 0.676 -6.184) 6.639 2.339 ( 2.320 0.676 6.184) 6.639 2.580 ( 0.594 -0.700 -2.576) 2.734 2.580 ( 0.594 -0.700 2.576) 2.734 2.719 ( -0.895 -0.103 -8.105) 8.154 2.719 ( -0.895 -0.103 8.105) 8.154 2.850 ( 4.212 -1.889 -3.169) 5.600 2.850 ( 4.212 -1.889 3.169) 5.600 3.143 ( 1.068 2.198 -0.994) 2.638 3.143 ( 1.068 2.198 0.994) 2.638 3.306 ( 3.546 1.886 -1.555) 4.306 3.306 ( 3.546 1.886 1.555) 4.306 3.644 ( -2.880 4.090 -2.915) 5.790 3.644 ( -2.880 4.090 2.915) 5.790 3.767 ( 6.078 0.635 -3.434) 7.010 3.767 ( 6.078 0.635 3.434) 7.010 3.899 ( 1.881 -1.246 -8.191) 8.496 3.899 ( 1.881 -1.246 8.191) 8.496 4.187 ( 5.131 3.556 -7.011) 9.388 4.187 ( 5.131 3.556 7.011) 9.388 4.366 ( 0.824 -1.188 -5.721) 5.901 4.366 ( 0.824 -1.188 5.721) 5.901 4.634 ( -1.262 1.833 -2.498) 3.346 4.634 ( -1.262 1.833 2.498) 3.346 4.983 ( -4.388 -2.140 -0.881) 4.961 4.983 ( -4.388 -2.140 0.881) 4.961 5.276 ( 7.116 1.634 -4.381) 8.515 5.276 ( 7.116 1.634 4.381) 8.515 5.416 ( 2.419 -0.927 -0.351) 2.614 5.416 ( 2.419 -0.927 0.351) 2.614 5.862 ( 1.922 -0.205 -2.996) 3.565 5.862 ( 1.922 -0.205 2.996) 3.565 5.909 ( 4.949 -2.611 -1.531) 5.801 5.909 ( 4.949 -2.611 1.531) 5.801 6.561 ( 5.693 0.413 -9.633) 11.197 6.561 ( 5.693 0.413 9.633) 11.197 6.602 ( 2.961 -1.142 -15.517) 15.838 6.602 ( 2.961 -1.142 15.517) 15.838 7.790 ( -10.861 1.941 -1.373) 11.118 7.790 ( -10.861 1.941 1.373) 11.118 8.165 ( 5.076 1.721 -6.298) 8.271 8.165 ( 5.076 1.721 6.298) 8.271 8.319 ( -12.645 1.767 -10.662) 16.634 8.319 ( -12.645 1.767 10.662) 16.634 8.665 ( 1.663 -0.091 -3.073) 3.495 8.665 ( 1.663 -0.091 3.073) 3.495 9.066 ( -3.015 2.884 -7.209) 8.330 9.066 ( -3.015 2.884 7.209) 8.330 9.281 ( -2.448 4.567 -4.391) 6.792 9.281 ( -2.448 4.567 4.391) 6.792 9.701 ( 6.607 0.066 -4.280) 7.872 9.701 ( 6.607 0.066 4.280) 7.872 10.157 ( 4.390 -0.431 -7.789) 8.951 10.157 ( 4.390 -0.431 7.789) 8.951 10.572 ( 6.633 -1.019 -7.761) 10.260 10.572 ( 6.633 -1.019 7.761) 10.260 10.985 ( -0.933 -4.600 -8.876) 10.040 10.985 ( -0.933 -4.600 8.876) 10.040 11.344 ( 7.909 -1.785 -1.808) 8.307 11.344 ( 7.909 -1.785 1.808) 8.307 11.630 ( -1.251 -2.327 -6.895) 7.384 11.630 ( -1.251 -2.327 6.895) 7.384 12.783 ( -1.729 4.317 -6.989) 8.395 12.783 ( -1.729 4.317 6.989) 8.395 13.150 ( 5.268 2.740 -2.052) 6.283 13.150 ( 5.268 2.740 2.052) 6.283 13.317 ( -8.122 -5.741 -10.334) 14.343 13.317 ( -8.122 -5.741 10.334) 14.343 14.013 ( 8.574 2.371 -9.339) 12.898 14.013 ( 8.574 2.371 9.339) 12.898 14.878 ( 1.479 1.206 -8.234) 8.453 14.878 ( 1.479 1.206 8.234) 8.453 15.652 ( -10.121 2.574 -4.187) 11.251 15.652 ( -10.121 2.574 4.187) 11.251 16.502 ( -11.496 5.056 -2.601) 12.825 16.502 ( -11.496 5.056 2.601) 12.825 17.017 ( -0.921 0.042 -1.052) 1.399 17.017 ( -0.921 0.042 1.052) 1.399 18.320 ( 1.099 -0.063 -0.975) 1.470 18.320 ( 1.099 -0.063 0.975) 1.470 18.901 ( -6.645 -11.719 -2.606) 13.722 18.901 ( -6.645 -11.719 2.606) 13.722 20.144 ( 29.186 -1.257 -8.194) 30.340 20.144 ( 29.186 -1.257 8.194) 30.340 22.695 ( -11.132 2.465 -2.025) 11.580 22.695 ( -11.132 2.465 2.025) 11.580 ======================= Grid point 174 (53/75) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 10.974 -6.308 -7.061) 14.494 1.165 ( 10.974 -6.308 7.061) 14.494 1.255 ( 10.329 -3.902 -6.525) 12.826 1.255 ( 10.329 -3.902 6.525) 12.826 1.624 ( 0.398 0.611 -1.381) 1.562 1.624 ( 0.398 0.611 1.381) 1.562 1.831 ( 9.844 1.701 -0.536) 10.005 1.831 ( 9.844 1.701 0.536) 10.005 1.880 ( 0.261 -0.069 -3.968) 3.977 1.880 ( 0.261 -0.069 3.968) 3.977 2.062 ( 8.195 -4.126 -6.549) 11.272 2.062 ( 8.195 -4.126 6.549) 11.272 2.153 ( -1.714 -0.030 -4.098) 4.442 2.153 ( -1.714 -0.030 4.098) 4.442 2.345 ( 6.783 1.733 -1.897) 7.253 2.345 ( 6.783 1.733 1.897) 7.253 2.451 ( 4.294 -0.212 -2.230) 4.844 2.451 ( 4.294 -0.212 2.230) 4.844 2.560 ( 2.677 1.162 -1.683) 3.368 2.560 ( 2.677 1.162 1.683) 3.368 2.810 ( 4.319 -9.982 -2.276) 11.112 2.810 ( 4.319 -9.982 2.276) 11.112 2.985 ( 3.566 -1.125 -3.124) 4.872 2.985 ( 3.566 -1.125 3.124) 4.872 3.239 ( 2.940 0.980 -2.675) 4.094 3.239 ( 2.940 0.980 2.675) 4.094 3.373 ( 13.767 1.000 -1.899) 13.934 3.373 ( 13.767 1.000 1.899) 13.934 3.520 ( -1.384 4.734 -2.309) 5.446 3.520 ( -1.384 4.734 2.309) 5.446 3.858 ( 4.388 3.780 -5.578) 8.041 3.858 ( 4.388 3.780 5.578) 8.041 4.006 ( 6.053 -2.042 -9.933) 11.810 4.006 ( 6.053 -2.042 9.933) 11.810 4.216 ( 3.321 6.572 -0.915) 7.420 4.216 ( 3.321 6.572 0.915) 7.420 4.373 ( -0.219 0.067 -6.714) 6.718 4.373 ( -0.219 0.067 6.714) 6.718 4.625 ( 1.974 3.046 -1.123) 3.799 4.625 ( 1.974 3.046 1.123) 3.799 4.901 ( -4.541 -0.387 -1.456) 4.784 4.901 ( -4.541 -0.387 1.456) 4.784 5.379 ( 3.311 2.326 -5.172) 6.567 5.379 ( 3.311 2.326 5.172) 6.567 5.502 ( 6.117 -2.821 -1.931) 7.008 5.502 ( 6.117 -2.821 1.931) 7.008 5.875 ( 1.543 1.370 -3.286) 3.880 5.875 ( 1.543 1.370 3.286) 3.880 6.091 ( 8.724 -5.144 -0.972) 10.174 6.091 ( 8.724 -5.144 0.972) 10.174 6.636 ( 3.974 0.519 -9.945) 10.722 6.636 ( 3.974 0.519 9.945) 10.722 6.723 ( 5.989 -0.683 -5.452) 8.128 6.723 ( 5.989 -0.683 5.452) 8.128 7.490 ( -16.515 2.936 -3.650) 17.166 7.490 ( -16.515 2.936 3.650) 17.166 8.050 ( -10.165 0.127 -7.369) 12.556 8.050 ( -10.165 0.127 7.369) 12.556 8.320 ( 8.134 3.194 -11.092) 14.121 8.320 ( 8.134 3.194 11.092) 14.121 8.680 ( 0.645 1.029 -6.551) 6.663 8.680 ( 0.645 1.029 6.551) 6.663 8.978 ( -5.505 -1.575 -6.166) 8.414 8.978 ( -5.505 -1.575 6.166) 8.414 9.279 ( 6.064 6.439 -7.860) 11.832 9.279 ( 6.064 6.439 7.860) 11.832 9.788 ( 1.683 -3.741 -4.857) 6.357 9.788 ( 1.683 -3.741 4.857) 6.357 10.241 ( 5.790 2.752 -7.587) 9.933 10.241 ( 5.790 2.752 7.587) 9.933 10.725 ( 5.550 -4.869 -5.548) 9.235 10.725 ( 5.550 -4.869 5.548) 9.235 11.029 ( 5.019 0.520 -2.424) 5.598 11.029 ( 5.019 0.520 2.424) 5.598 11.419 ( -4.168 -3.368 -4.256) 6.843 11.419 ( -4.168 -3.368 4.256) 6.843 11.714 ( 9.704 -0.798 -5.120) 11.001 11.714 ( 9.704 -0.798 5.120) 11.001 12.650 ( -5.770 11.123 -9.214) 15.554 12.650 ( -5.770 11.123 9.214) 15.554 13.079 ( -8.628 -8.847 -12.924) 17.881 13.079 ( -8.628 -8.847 12.924) 17.881 13.512 ( 18.004 -2.160 -2.332) 18.283 13.512 ( 18.004 -2.160 2.332) 18.283 14.107 ( 3.962 1.985 -11.279) 12.118 14.107 ( 3.962 1.985 11.279) 12.118 14.864 ( -1.103 4.048 -8.004) 9.037 14.864 ( -1.103 4.048 8.004) 9.037 15.455 ( -8.035 0.522 -5.123) 9.544 15.455 ( -8.035 0.522 5.123) 9.544 16.292 ( -7.975 2.705 -2.258) 8.719 16.292 ( -7.975 2.705 2.258) 8.719 16.996 ( -1.353 -0.135 -0.889) 1.625 16.996 ( -1.353 -0.135 0.889) 1.625 18.361 ( 2.839 -0.629 -1.683) 3.360 18.361 ( 2.839 -0.629 1.683) 3.360 18.846 ( -7.916 -8.402 -2.865) 11.895 18.846 ( -7.916 -8.402 2.865) 11.895 20.691 ( 27.021 -0.724 -9.265) 28.574 20.691 ( 27.021 -0.724 9.265) 28.574 22.443 ( -13.375 1.618 -3.394) 13.893 22.443 ( -13.375 1.618 3.394) 13.893 ======================= Grid point 176 (54/75) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 5.919 -4.795 -1.506) 7.765 1.383 ( 5.919 -4.795 1.506) 7.765 1.449 ( 7.762 -2.722 -4.541) 9.396 1.449 ( 7.762 -2.722 4.541) 9.396 1.647 ( 1.730 -0.013 -1.578) 2.341 1.647 ( 1.730 -0.013 1.578) 2.341 1.877 ( -0.159 -0.659 -2.975) 3.051 1.877 ( -0.159 -0.659 2.975) 3.051 1.978 ( 5.178 2.181 -6.123) 8.310 1.978 ( 5.178 2.181 6.123) 8.310 2.065 ( 0.078 -0.774 -2.271) 2.401 2.065 ( 0.078 -0.774 2.271) 2.401 2.228 ( 2.428 -3.087 -1.722) 4.289 2.228 ( 2.428 -3.087 1.722) 4.289 2.391 ( -0.114 -4.042 -2.334) 4.669 2.391 ( -0.114 -4.042 2.334) 4.669 2.467 ( 0.866 5.278 -0.165) 5.351 2.467 ( 0.866 5.278 0.165) 5.351 2.633 ( 4.146 5.557 -1.001) 7.005 2.633 ( 4.146 5.557 1.001) 7.005 2.867 ( -3.868 -1.010 -0.886) 4.094 2.867 ( -3.868 -1.010 0.886) 4.094 3.154 ( 4.307 -6.877 -6.080) 10.140 3.154 ( 4.307 -6.877 6.080) 10.140 3.276 ( 6.290 -5.843 -4.504) 9.696 3.276 ( 6.290 -5.843 4.504) 9.696 3.443 ( 3.770 -1.064 -0.760) 3.990 3.443 ( 3.770 -1.064 0.760) 3.990 3.739 ( 10.064 1.919 -2.373) 10.516 3.739 ( 10.064 1.919 2.373) 10.516 3.880 ( 3.120 2.191 -3.342) 5.070 3.880 ( 3.120 2.191 3.342) 5.070 4.073 ( 0.442 2.536 -5.110) 5.722 4.073 ( 0.442 2.536 5.110) 5.722 4.298 ( 9.032 5.114 -0.493) 10.391 4.298 ( 9.032 5.114 0.493) 10.391 4.389 ( 5.953 1.899 -5.864) 8.569 4.389 ( 5.953 1.899 5.864) 8.569 4.613 ( 0.197 4.586 -0.917) 4.681 4.613 ( 0.197 4.586 0.917) 4.681 4.868 ( 0.012 -3.744 -0.960) 3.865 4.868 ( 0.012 -3.744 0.960) 3.865 5.350 ( -3.045 3.438 -3.837) 5.985 5.350 ( -3.045 3.438 3.837) 5.985 5.670 ( 8.146 -2.707 -3.321) 9.204 5.670 ( 8.146 -2.707 3.321) 9.204 5.900 ( 1.426 -0.084 -5.973) 6.142 5.900 ( 1.426 -0.084 5.973) 6.142 6.275 ( 7.183 -1.305 -0.498) 7.318 6.275 ( 7.183 -1.305 0.498) 7.318 6.696 ( -0.583 0.483 -0.421) 0.866 6.696 ( -0.583 0.483 0.421) 0.866 6.742 ( -2.784 -0.407 -4.136) 5.002 6.742 ( -2.784 -0.407 4.136) 5.002 7.248 ( -5.540 0.707 -3.079) 6.378 7.248 ( -5.540 0.707 3.079) 6.378 7.894 ( -6.434 0.284 -2.744) 7.000 7.894 ( -6.434 0.284 2.744) 7.000 8.428 ( 5.577 2.454 -13.525) 14.835 8.428 ( 5.577 2.454 13.525) 14.835 8.675 ( 0.569 2.965 -10.398) 10.827 8.675 ( 0.569 2.965 10.398) 10.827 8.902 ( -4.768 -3.970 -5.718) 8.438 8.902 ( -4.768 -3.970 5.718) 8.438 9.365 ( 7.449 4.797 -8.283) 12.129 9.365 ( 7.449 4.797 8.283) 12.129 9.829 ( -0.677 -3.590 -5.357) 6.484 9.829 ( -0.677 -3.590 5.357) 6.484 10.342 ( 6.981 0.846 -7.434) 10.233 10.342 ( 6.981 0.846 7.434) 10.233 10.805 ( -1.335 -4.525 -8.536) 9.753 10.805 ( -1.335 -4.525 8.536) 9.753 11.180 ( 9.632 1.038 -7.307) 12.134 11.180 ( 9.632 1.038 7.307) 12.134 11.331 ( -3.634 -0.326 -3.468) 5.034 11.331 ( -3.634 -0.326 3.468) 5.034 11.905 ( 8.055 -0.003 -4.132) 9.053 11.905 ( 8.055 -0.003 4.132) 9.053 12.424 ( -7.153 10.234 -9.444) 15.656 12.424 ( -7.153 10.234 9.444) 15.656 13.022 ( -6.311 -9.409 -9.274) 14.641 13.022 ( -6.311 -9.409 9.274) 14.641 13.892 ( 19.355 -0.257 -2.181) 19.479 13.892 ( 19.355 -0.257 2.181) 19.479 14.161 ( 3.654 -0.550 -6.215) 7.230 14.161 ( 3.654 -0.550 6.215) 7.230 14.784 ( -3.275 3.579 -5.343) 7.217 14.784 ( -3.275 3.579 5.343) 7.217 15.335 ( -5.750 -0.064 -2.563) 6.296 15.335 ( -5.750 -0.064 2.563) 6.296 16.142 ( -6.058 1.977 -0.988) 6.449 16.142 ( -6.058 1.977 0.988) 6.449 16.972 ( -1.299 -0.144 -0.618) 1.445 16.972 ( -1.299 -0.144 0.618) 1.445 18.429 ( 3.895 -0.342 -1.949) 4.368 18.429 ( 3.895 -0.342 1.949) 4.368 18.757 ( -7.285 -4.949 -2.549) 9.168 18.757 ( -7.285 -4.949 2.549) 9.168 21.156 ( 22.877 -0.020 -5.661) 23.567 21.156 ( 22.877 -0.020 5.661) 23.567 22.176 ( -14.498 0.541 -2.324) 14.693 22.176 ( -14.498 0.541 2.324) 14.693 ======================= Grid point 178 (55/75) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 1.063 -0.943 -1.000) 1.738 1.463 ( 1.063 -0.943 1.000) 1.738 1.579 ( 4.027 -1.311 -3.956) 5.795 1.579 ( 4.027 -1.311 3.956) 5.795 1.660 ( -0.820 -0.013 -1.290) 1.528 1.660 ( -0.820 -0.013 1.290) 1.528 1.898 ( 1.879 -0.761 -1.232) 2.373 1.898 ( 1.879 -0.761 1.232) 2.373 1.962 ( -1.871 1.735 -2.259) 3.408 1.962 ( -1.871 1.735 2.259) 3.408 2.153 ( 4.280 -2.788 -0.456) 5.129 2.153 ( 4.280 -2.788 0.456) 5.129 2.236 ( -2.291 1.322 -1.230) 2.917 2.236 ( -2.291 1.322 1.230) 2.917 2.442 ( 0.388 -3.646 -1.334) 3.902 2.442 ( 0.388 -3.646 1.334) 3.902 2.491 ( 4.931 0.799 -1.381) 5.183 2.491 ( 4.931 0.799 1.381) 5.183 2.618 ( 0.465 1.181 -4.334) 4.516 2.618 ( 0.465 1.181 4.334) 4.516 2.736 ( -7.083 4.314 -4.911) 9.638 2.736 ( -7.083 4.314 4.911) 9.638 3.244 ( 1.863 -2.226 -0.473) 2.941 3.244 ( 1.863 -2.226 0.473) 2.941 3.368 ( 2.362 -0.048 -2.959) 3.786 3.368 ( 2.362 -0.048 2.959) 3.786 3.656 ( 3.179 -7.535 -1.936) 8.404 3.656 ( 3.179 -7.535 1.936) 8.404 3.766 ( 5.483 0.755 -7.516) 9.334 3.766 ( 5.483 0.755 7.516) 9.334 3.918 ( -3.249 -0.272 -5.254) 6.183 3.918 ( -3.249 -0.272 5.254) 6.183 4.084 ( 4.343 0.294 -0.860) 4.437 4.084 ( 4.343 0.294 0.860) 4.437 4.244 ( -3.821 9.041 -2.577) 10.148 4.244 ( -3.821 9.041 2.577) 10.148 4.538 ( 2.252 0.735 -2.292) 3.297 4.538 ( 2.252 0.735 2.292) 3.297 4.658 ( 6.579 0.453 -2.192) 6.949 4.658 ( 6.579 0.453 2.192) 6.949 4.971 ( 6.632 -5.472 -1.313) 8.698 4.971 ( 6.632 -5.472 1.313) 8.698 5.223 ( -6.476 4.627 -3.770) 8.807 5.223 ( -6.476 4.627 3.770) 8.807 5.824 ( 5.665 -1.889 -7.283) 9.418 5.824 ( 5.665 -1.889 7.283) 9.418 5.914 ( -0.737 -0.424 -10.319) 10.354 5.914 ( -0.737 -0.424 10.319) 10.354 6.338 ( 0.426 3.803 -1.949) 4.294 6.338 ( 0.426 3.803 1.949) 4.294 6.566 ( -5.882 -3.326 -4.099) 7.903 6.566 ( -5.882 -3.326 4.099) 7.903 6.772 ( 1.802 0.480 -2.855) 3.410 6.772 ( 1.802 0.480 2.855) 3.410 7.221 ( 0.329 0.000 -0.810) 0.875 7.221 ( 0.329 0.000 0.810) 0.875 7.809 ( -2.315 0.099 -0.561) 2.384 7.809 ( -2.315 0.099 0.561) 2.384 8.485 ( 2.005 0.811 -7.350) 7.662 8.485 ( 2.005 0.811 7.350) 7.662 8.655 ( -0.135 1.890 -6.505) 6.775 8.655 ( -0.135 1.890 6.505) 6.775 8.870 ( -1.619 -2.089 -2.624) 3.724 8.870 ( -1.619 -2.089 2.624) 3.724 9.449 ( 3.621 1.709 -3.967) 5.636 9.449 ( 3.621 1.709 3.967) 5.636 9.828 ( -1.022 -1.191 -2.870) 3.271 9.828 ( -1.022 -1.191 2.870) 3.271 10.471 ( 5.378 -0.861 -5.482) 7.728 10.471 ( 5.378 -0.861 5.482) 7.728 10.771 ( -3.380 -0.753 -6.341) 7.225 10.771 ( -3.380 -0.753 6.341) 7.225 11.201 ( -2.311 -0.635 -1.870) 3.040 11.201 ( -2.311 -0.635 1.870) 3.040 11.438 ( 8.460 0.274 -5.597) 10.148 11.438 ( 8.460 0.274 5.597) 10.148 11.941 ( -2.622 1.604 -4.974) 5.847 11.941 ( -2.622 1.604 4.974) 5.847 12.294 ( -0.244 3.225 -2.679) 4.200 12.294 ( -0.244 3.225 2.679) 4.200 12.991 ( -2.727 -3.834 -3.438) 5.827 12.991 ( -2.727 -3.834 3.438) 5.827 14.100 ( 3.356 0.637 -3.641) 4.993 14.100 ( 3.356 0.637 3.641) 4.993 14.318 ( 9.471 -0.842 -0.919) 9.553 14.318 ( 9.471 -0.842 0.919) 9.553 14.706 ( -2.791 0.425 -1.889) 3.397 14.706 ( -2.791 0.425 1.889) 3.397 15.232 ( -4.059 0.567 -0.597) 4.141 15.232 ( -4.059 0.567 0.597) 4.141 16.048 ( -2.402 0.848 -0.291) 2.564 16.048 ( -2.402 0.848 0.291) 2.564 16.955 ( -0.547 -0.057 -0.225) 0.594 16.955 ( -0.547 -0.057 0.225) 0.594 18.501 ( 3.180 0.238 -1.415) 3.489 18.501 ( 3.180 0.238 1.415) 3.489 18.671 ( -4.377 -1.969 -1.590) 5.056 18.671 ( -4.377 -1.969 1.590) 5.056 21.549 ( 19.491 0.156 -2.982) 19.718 21.549 ( 19.491 0.156 2.982) 19.718 21.886 ( -16.585 -0.009 -1.867) 16.689 21.886 ( -16.585 -0.009 1.867) 16.689 ======================= Grid point 190 (56/75) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 11.147 0.000 -5.012) 12.222 1.107 ( 11.147 0.000 5.012) 12.222 1.229 ( 11.547 0.000 -6.313) 13.160 1.229 ( 11.547 0.000 6.313) 13.160 1.630 ( 0.141 0.000 -1.227) 1.235 1.630 ( 0.141 0.000 1.227) 1.235 1.841 ( 4.707 0.000 -1.065) 4.826 1.841 ( 4.707 0.000 1.065) 4.826 1.894 ( 2.921 0.000 -0.883) 3.052 1.894 ( 2.921 0.000 0.883) 3.052 1.997 ( 15.093 0.000 -8.423) 17.284 1.997 ( 15.093 0.000 8.423) 17.284 2.173 ( -3.156 -0.000 -4.141) 5.206 2.173 ( -3.156 -0.000 4.141) 5.206 2.358 ( 1.657 0.000 -1.707) 2.379 2.358 ( 1.657 0.000 1.707) 2.379 2.440 ( 12.182 0.000 -4.937) 13.144 2.440 ( 12.182 0.000 4.937) 13.144 2.609 ( 3.734 0.000 -0.820) 3.823 2.609 ( 3.734 0.000 0.820) 3.823 2.686 ( 1.232 0.000 -5.423) 5.561 2.686 ( 1.232 0.000 5.423) 5.561 2.984 ( 1.899 0.000 -2.144) 2.864 2.984 ( 1.899 0.000 2.144) 2.864 3.252 ( 2.257 0.000 -1.867) 2.929 3.252 ( 2.257 0.000 1.867) 2.929 3.383 ( 13.595 0.000 -1.592) 13.688 3.383 ( 13.595 0.000 1.592) 13.688 3.562 ( -3.821 -0.000 -1.344) 4.050 3.562 ( -3.821 -0.000 1.344) 4.050 3.890 ( 4.290 0.000 -2.659) 5.047 3.890 ( 4.290 0.000 2.659) 5.047 3.981 ( 6.466 0.000 -11.882) 13.527 3.981 ( 6.466 0.000 11.882) 13.527 4.276 ( 1.982 0.000 -2.108) 2.893 4.276 ( 1.982 0.000 2.108) 2.893 4.371 ( 1.146 0.000 -8.028) 8.109 4.371 ( 1.146 0.000 8.028) 8.109 4.650 ( 2.149 0.000 -1.784) 2.793 4.650 ( 2.149 0.000 1.784) 2.793 4.904 ( -3.681 -0.000 -0.792) 3.765 4.904 ( -3.681 -0.000 0.792) 3.765 5.393 ( 2.091 0.000 -3.237) 3.854 5.393 ( 2.091 0.000 3.237) 3.854 5.483 ( 7.290 0.000 -1.788) 7.506 5.483 ( 7.290 0.000 1.788) 7.506 5.885 ( 0.480 0.000 -5.079) 5.102 5.885 ( 0.480 0.000 5.079) 5.102 6.044 ( 10.255 0.000 -1.769) 10.406 6.044 ( 10.255 0.000 1.769) 10.406 6.641 ( 4.198 0.000 -10.803) 11.590 6.641 ( 4.198 0.000 10.803) 11.590 6.717 ( 6.406 0.000 -4.432) 7.789 6.717 ( 6.406 0.000 4.432) 7.789 7.518 ( -17.610 -0.000 -3.220) 17.902 7.518 ( -17.610 -0.000 3.220) 17.902 8.049 ( -10.138 -0.000 -7.773) 12.775 8.049 ( -10.138 -0.000 7.773) 12.775 8.352 ( 7.715 0.000 -11.618) 13.946 8.352 ( 7.715 0.000 11.618) 13.946 8.686 ( 1.151 0.000 -1.615) 1.983 8.686 ( 1.151 0.000 1.615) 1.983 8.964 ( -7.036 -0.000 -7.167) 10.043 8.964 ( -7.036 -0.000 7.167) 10.043 9.349 ( 5.401 0.000 -5.314) 7.577 9.349 ( 5.401 0.000 5.314) 7.577 9.741 ( 0.396 0.000 -2.747) 2.775 9.741 ( 0.396 0.000 2.747) 2.775 10.276 ( 5.953 0.000 -2.445) 6.436 10.276 ( 5.953 0.000 2.445) 6.436 10.672 ( 4.098 0.000 -1.819) 4.484 10.672 ( 4.098 0.000 1.819) 4.484 11.037 ( 8.321 0.000 -0.263) 8.325 11.037 ( 8.321 0.000 0.263) 8.325 11.380 ( -3.870 -0.000 -0.362) 3.887 11.380 ( -3.870 -0.000 0.362) 3.887 11.707 ( 10.332 0.000 -4.708) 11.354 11.707 ( 10.332 0.000 4.708) 11.354 12.789 ( -0.229 -0.000 -3.649) 3.656 12.789 ( -0.229 -0.000 3.649) 3.656 12.962 ( -15.584 -0.000 -16.973) 23.042 12.962 ( -15.584 -0.000 16.973) 23.042 13.493 ( 19.212 0.000 -0.388) 19.215 13.493 ( 19.212 0.000 0.388) 19.215 14.128 ( 2.942 0.000 -13.511) 13.828 14.128 ( 2.942 0.000 13.511) 13.828 14.899 ( -0.911 -0.000 -9.267) 9.311 14.899 ( -0.911 -0.000 9.267) 9.311 15.462 ( -9.148 -0.000 -2.077) 9.381 15.462 ( -9.148 -0.000 2.077) 9.381 16.318 ( -9.115 -0.000 -2.727) 9.514 16.318 ( -9.115 -0.000 2.727) 9.514 16.996 ( -1.339 -0.000 -1.083) 1.722 16.996 ( -1.339 -0.000 1.083) 1.722 18.357 ( 2.945 0.000 -1.261) 3.203 18.357 ( 2.945 0.000 1.261) 3.203 18.765 ( -4.712 -0.000 -0.932) 4.804 18.765 ( -4.712 -0.000 0.932) 4.804 20.684 ( 27.602 0.000 -9.960) 29.344 20.684 ( 27.602 0.000 9.960) 29.344 22.457 ( -14.281 -0.000 -3.386) 14.676 22.457 ( -14.281 -0.000 3.386) 14.676 ======================= Grid point 192 (57/75) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 9.476 -2.336 -2.151) 9.994 1.319 ( 9.476 -2.336 2.151) 9.994 1.430 ( 9.399 -0.094 -1.241) 9.481 1.430 ( 9.399 -0.094 1.241) 9.481 1.651 ( 1.673 0.249 -1.159) 2.051 1.651 ( 1.673 0.249 1.159) 2.051 1.862 ( 0.079 -0.767 -3.393) 3.479 1.862 ( 0.079 -0.767 3.393) 3.479 1.998 ( 5.879 0.448 -2.181) 6.286 1.998 ( 5.879 0.448 2.181) 6.286 2.082 ( -3.663 1.689 -1.298) 4.237 2.082 ( -3.663 1.689 1.298) 4.237 2.171 ( 4.035 -2.561 -0.594) 4.816 2.171 ( 4.035 -2.561 0.594) 4.816 2.342 ( -2.002 -1.650 -1.218) 2.866 2.342 ( -2.002 -1.650 1.218) 2.866 2.590 ( 1.096 8.468 -0.923) 8.588 2.590 ( 1.096 8.468 0.923) 8.588 2.698 ( 4.296 0.167 -1.213) 4.467 2.698 ( 4.296 0.167 1.213) 4.467 2.802 ( 6.648 -5.057 -2.844) 8.824 2.802 ( 6.648 -5.057 2.844) 8.824 3.062 ( 7.857 -2.607 -10.959) 13.734 3.062 ( 7.857 -2.607 10.959) 13.734 3.189 ( -2.387 -3.100 -3.440) 5.210 3.189 ( -2.387 -3.100 3.440) 5.210 3.462 ( -1.077 1.216 -2.469) 2.955 3.462 ( -1.077 1.216 2.469) 2.955 3.749 ( 11.200 -0.024 -0.988) 11.243 3.749 ( 11.200 -0.024 0.988) 11.243 3.915 ( -0.141 1.457 -0.756) 1.648 3.915 ( -0.141 1.457 0.756) 1.648 4.095 ( 3.142 0.375 -3.142) 4.459 4.095 ( 3.142 0.375 3.142) 4.459 4.323 ( 7.495 -0.382 -3.102) 8.121 4.323 ( 7.495 -0.382 3.102) 8.121 4.437 ( 6.668 2.331 -5.264) 8.809 4.437 ( 6.668 2.331 5.264) 8.809 4.678 ( 0.387 2.023 -3.326) 3.913 4.678 ( 0.387 2.023 3.326) 3.913 4.835 ( -2.709 -0.164 -1.406) 3.056 4.835 ( -2.709 -0.164 1.406) 3.056 5.394 ( -0.954 1.599 -1.976) 2.714 5.394 ( -0.954 1.599 1.976) 2.714 5.633 ( 7.387 -1.419 -5.980) 9.610 5.633 ( 7.387 -1.419 5.980) 9.610 5.889 ( -0.031 -0.708 -7.026) 7.061 5.889 ( -0.031 -0.708 7.026) 7.061 6.256 ( 11.233 -0.677 -0.110) 11.254 6.256 ( 11.233 -0.677 0.110) 11.254 6.704 ( -3.993 0.354 -2.250) 4.597 6.704 ( -3.993 0.354 2.250) 4.597 6.741 ( 0.011 0.103 -7.306) 7.307 6.741 ( 0.011 0.103 7.306) 7.307 7.259 ( -6.877 0.408 -2.642) 7.379 7.259 ( -6.877 0.408 2.642) 7.379 7.895 ( -6.610 -0.057 -3.524) 7.491 7.895 ( -6.610 -0.057 3.524) 7.491 8.469 ( 5.194 1.872 -15.786) 16.723 8.469 ( 5.194 1.872 15.786) 16.723 8.714 ( 1.975 1.459 -6.710) 7.145 8.714 ( 1.975 1.459 6.710) 7.145 8.842 ( -6.307 -2.542 -6.405) 9.341 8.842 ( -6.307 -2.542 6.405) 9.341 9.435 ( 4.552 2.829 -4.311) 6.878 9.435 ( 4.552 2.829 4.311) 6.878 9.773 ( 2.107 -2.367 -2.601) 4.099 9.773 ( 2.107 -2.367 2.601) 4.099 10.352 ( 3.123 0.258 -5.177) 6.052 10.352 ( 3.123 0.258 5.177) 6.052 10.739 ( 1.902 -2.522 -7.415) 8.060 10.739 ( 1.902 -2.522 7.415) 8.060 11.220 ( 6.281 3.677 -5.744) 9.271 11.220 ( 6.281 3.677 5.744) 9.271 11.294 ( -0.409 -3.781 -3.038) 4.867 11.294 ( -0.409 -3.781 3.038) 4.867 11.910 ( 9.552 0.330 -2.853) 9.974 11.910 ( 9.552 0.330 2.853) 9.974 12.597 ( -13.046 9.193 -14.284) 21.418 12.597 ( -13.046 9.193 14.284) 21.418 12.865 ( -1.194 -8.463 -4.444) 9.633 12.865 ( -1.194 -8.463 4.444) 9.633 13.885 ( 20.845 -0.372 -1.063) 20.875 13.885 ( 20.845 -0.372 1.063) 20.875 14.159 ( 1.639 0.131 -9.444) 9.586 14.159 ( 1.639 0.131 9.444) 9.586 14.834 ( -4.543 1.799 -6.692) 8.286 14.834 ( -4.543 1.799 6.692) 8.286 15.334 ( -5.498 -0.023 -1.003) 5.589 15.334 ( -5.498 -0.023 1.003) 5.589 16.167 ( -6.859 0.850 -1.185) 7.013 16.167 ( -6.859 0.850 1.185) 7.013 16.971 ( -1.167 0.021 -1.015) 1.547 16.971 ( -1.167 0.021 1.015) 1.547 18.427 ( 4.391 -0.015 -1.613) 4.678 18.427 ( 4.391 -0.015 1.613) 4.678 18.689 ( -4.831 -2.572 -1.658) 5.718 18.689 ( -4.831 -2.572 1.658) 5.718 21.155 ( 23.121 -0.050 -6.536) 24.027 21.155 ( 23.121 -0.050 6.536) 24.027 22.183 ( -15.117 0.225 -2.469) 15.319 22.183 ( -15.117 0.225 2.469) 15.319 ======================= Grid point 194 (58/75) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 4.207 0.059 -1.800) 4.576 1.459 ( 4.207 0.059 1.800) 4.576 1.568 ( 5.562 0.213 -3.160) 6.401 1.568 ( 5.562 0.213 3.160) 6.401 1.667 ( 0.137 0.659 -0.741) 1.001 1.667 ( 0.137 0.659 0.741) 1.001 1.885 ( 1.783 -0.860 -1.667) 2.588 1.885 ( 1.783 -0.860 1.667) 2.588 1.982 ( -3.903 0.677 -2.741) 4.817 1.982 ( -3.903 0.677 2.741) 4.817 2.126 ( 5.337 -0.239 -4.007) 6.678 2.126 ( 5.337 -0.239 4.007) 6.678 2.234 ( 0.293 -1.534 -2.796) 3.202 2.234 ( 0.293 -1.534 2.796) 3.202 2.345 ( 0.175 -4.835 -3.705) 6.094 2.345 ( 0.175 -4.835 3.705) 6.094 2.550 ( 2.161 4.927 -2.423) 5.900 2.550 ( 2.161 4.927 2.423) 5.900 2.671 ( -3.551 2.447 -2.059) 4.778 2.671 ( -3.551 2.447 2.059) 4.778 2.820 ( -2.575 5.206 -3.400) 6.730 2.820 ( -2.575 5.206 3.400) 6.730 3.178 ( 3.404 -3.281 -1.728) 5.034 3.178 ( 3.404 -3.281 1.728) 5.034 3.351 ( 5.244 -5.020 -5.493) 9.103 3.351 ( 5.244 -5.020 5.493) 9.103 3.496 ( 4.699 -6.511 -5.083) 9.503 3.496 ( 4.699 -6.511 5.083) 9.503 3.803 ( -0.212 2.061 -5.232) 5.628 3.803 ( -0.212 2.061 5.232) 5.628 3.905 ( -0.820 -0.454 -4.039) 4.147 3.905 ( -0.820 -0.454 4.039) 4.147 4.084 ( -2.035 -1.018 -1.870) 2.945 4.084 ( -2.035 -1.018 1.870) 2.945 4.402 ( -0.950 8.461 -3.222) 9.103 4.402 ( -0.950 8.461 3.222) 9.103 4.560 ( 1.195 1.504 -3.252) 3.777 4.560 ( 1.195 1.504 3.252) 3.777 4.667 ( 4.547 0.620 -1.529) 4.837 4.667 ( 4.547 0.620 1.529) 4.837 4.876 ( 5.613 -5.031 -1.072) 7.613 4.876 ( 5.613 -5.031 1.072) 7.613 5.313 ( -4.771 5.329 -3.304) 7.879 5.313 ( -4.771 5.329 3.304) 7.879 5.782 ( 6.385 -3.053 -7.200) 10.096 5.782 ( 6.385 -3.053 7.200) 10.096 5.897 ( -0.213 -1.141 -8.886) 8.962 5.897 ( -0.213 -1.141 8.886) 8.962 6.390 ( -3.796 2.276 -3.517) 5.653 6.390 ( -3.796 2.276 3.517) 5.653 6.525 ( -1.113 -1.486 -2.200) 2.879 6.525 ( -1.113 -1.486 2.200) 2.879 6.782 ( 1.240 0.572 -3.346) 3.614 6.782 ( 1.240 0.572 3.346) 3.614 7.222 ( 0.341 0.098 -0.364) 0.508 7.222 ( 0.341 0.098 0.364) 0.508 7.808 ( -2.652 -0.223 -1.177) 2.910 7.808 ( -2.652 -0.223 1.177) 2.910 8.514 ( 1.628 2.302 -11.865) 12.196 8.514 ( 1.628 2.302 11.865) 12.196 8.679 ( -3.885 0.866 -10.610) 11.332 8.679 ( -3.885 0.866 10.610) 11.332 8.828 ( 1.722 -2.492 -2.652) 4.026 8.828 ( 1.722 -2.492 2.652) 4.026 9.463 ( -0.404 0.052 -3.523) 3.546 9.463 ( -0.404 0.052 3.523) 3.546 9.834 ( 3.464 1.612 -5.327) 6.555 9.834 ( 3.464 1.612 5.327) 6.555 10.418 ( 1.969 -4.454 -7.822) 9.214 10.418 ( 1.969 -4.454 7.822) 9.214 10.769 ( 0.309 0.197 -8.351) 8.359 10.769 ( 0.309 0.197 8.351) 8.359 11.154 ( -4.723 -2.863 -2.270) 5.972 11.154 ( -4.723 -2.863 2.270) 5.972 11.479 ( 10.932 2.477 -9.968) 15.000 11.479 ( 10.932 2.477 9.968) 15.000 11.991 ( -0.536 3.819 -3.942) 5.514 11.991 ( -0.536 3.819 3.942) 5.514 12.319 ( -10.368 -0.081 -9.654) 14.167 12.319 ( -10.368 -0.081 9.654) 14.167 12.943 ( 4.674 -1.923 -2.237) 5.527 12.943 ( 4.674 -1.923 2.237) 5.527 14.112 ( 2.329 0.710 -4.507) 5.123 14.112 ( 2.329 0.710 4.507) 5.123 14.284 ( 8.961 -2.315 -0.220) 9.258 14.284 ( 8.961 -2.315 0.220) 9.258 14.746 ( -0.969 3.177 -2.349) 4.068 14.746 ( -0.969 3.177 2.349) 4.068 15.232 ( -5.208 -0.315 -0.995) 5.312 15.232 ( -5.208 -0.315 0.995) 5.312 16.058 ( -3.872 0.378 -0.054) 3.891 16.058 ( -3.872 0.378 0.054) 3.891 16.956 ( -0.341 0.145 -0.785) 0.869 16.956 ( -0.341 0.145 0.785) 0.869 18.505 ( 3.097 0.243 -1.006) 3.265 18.505 ( 3.097 0.243 1.006) 3.265 18.637 ( -1.740 -1.899 -1.091) 2.797 18.637 ( -1.740 -1.899 1.091) 2.797 21.551 ( 19.482 0.061 -3.566) 19.805 21.551 ( 19.482 0.061 3.566) 19.805 21.886 ( -16.860 -0.029 -1.616) 16.937 21.886 ( -16.860 -0.029 1.616) 16.937 ======================= Grid point 196 (59/75) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 1.194 2.346 -1.443) 3.002 1.494 ( 1.194 2.346 1.443) 3.002 1.605 ( -1.510 1.778 -2.839) 3.674 1.605 ( -1.510 1.778 2.839) 3.674 1.672 ( 1.816 1.383 -2.460) 3.356 1.672 ( 1.816 1.383 2.460) 3.356 1.902 ( -3.900 -1.257 -2.093) 4.601 1.902 ( -3.900 -1.257 2.093) 4.601 1.936 ( 2.189 -0.303 -1.603) 2.730 1.936 ( 2.189 -0.303 1.603) 2.730 2.188 ( -2.249 0.195 -1.485) 2.702 2.188 ( -2.249 0.195 1.485) 2.702 2.222 ( 2.242 1.019 -3.518) 4.294 2.222 ( 2.242 1.019 3.518) 4.294 2.402 ( -0.635 -4.699 -2.131) 5.199 2.402 ( -0.635 -4.699 2.131) 5.199 2.516 ( -2.993 1.468 -2.561) 4.204 2.516 ( -2.993 1.468 2.561) 4.204 2.657 ( 0.409 1.022 -2.698) 2.914 2.657 ( 0.409 1.022 2.698) 2.914 2.733 ( 3.800 6.553 -2.834) 8.088 2.733 ( 3.800 6.553 2.834) 8.088 3.218 ( -2.085 -2.950 -2.401) 4.337 3.218 ( -2.085 -2.950 2.401) 4.337 3.393 ( -1.088 0.772 -3.042) 3.321 3.393 ( -1.088 0.772 3.042) 3.321 3.615 ( 0.617 -8.311 -3.089) 8.888 3.615 ( 0.617 -8.311 3.089) 8.888 3.807 ( -4.820 1.949 -2.826) 5.918 3.807 ( -4.820 1.949 2.826) 5.918 3.903 ( 4.450 -1.550 -7.305) 8.693 3.903 ( 4.450 -1.550 7.305) 8.693 4.070 ( -3.615 -4.451 -0.424) 5.749 4.070 ( -3.615 -4.451 0.424) 5.749 4.204 ( -7.711 7.384 -6.381) 12.438 4.204 ( -7.711 7.384 6.381) 12.438 4.537 ( -2.950 0.416 -3.060) 4.271 4.537 ( -2.950 0.416 3.060) 4.271 4.652 ( -6.668 -0.226 -4.293) 7.934 4.652 ( -6.668 -0.226 4.293) 7.934 5.005 ( -1.519 -2.190 -0.498) 2.711 5.005 ( -1.519 -2.190 0.498) 2.711 5.205 ( 2.291 3.110 -3.473) 5.194 5.205 ( 2.291 3.110 3.473) 5.194 5.841 ( -3.660 -0.085 -7.685) 8.512 5.841 ( -3.660 -0.085 7.685) 8.512 5.910 ( 0.630 -0.420 -7.122) 7.163 5.910 ( 0.630 -0.420 7.122) 7.163 6.273 ( -2.216 -3.683 -0.608) 4.341 6.273 ( -2.216 -3.683 0.608) 4.341 6.627 ( 7.803 3.684 -5.712) 10.348 6.627 ( 7.803 3.684 5.712) 10.348 6.767 ( -2.270 -0.180 -2.528) 3.403 6.767 ( -2.270 -0.180 2.528) 3.403 7.222 ( -0.323 0.141 -1.245) 1.294 7.222 ( -0.323 0.141 1.245) 1.294 7.804 ( 1.919 -0.488 -0.458) 2.033 7.804 ( 1.919 -0.488 0.458) 2.033 8.489 ( -2.795 1.245 -8.823) 9.339 8.489 ( -2.795 1.245 8.823) 9.339 8.622 ( -2.110 -2.007 -12.362) 12.700 8.622 ( -2.110 -2.007 12.362) 12.700 8.891 ( 3.691 0.430 -5.027) 6.252 8.891 ( 3.691 0.430 5.027) 6.252 9.414 ( -5.829 -2.173 -5.999) 8.642 9.414 ( -5.829 -2.173 5.999) 8.642 9.870 ( 2.811 3.502 -6.723) 8.085 9.870 ( 2.811 3.502 6.723) 8.085 10.439 ( -5.010 -4.031 -9.160) 11.192 10.439 ( -5.010 -4.031 9.160) 11.192 10.791 ( 3.810 1.103 -8.570) 9.443 10.791 ( 3.810 1.103 8.570) 9.443 11.142 ( -0.365 -5.599 -1.706) 5.864 11.142 ( -0.365 -5.599 1.706) 5.864 11.513 ( -5.399 7.453 -1.824) 9.382 11.513 ( -5.399 7.453 1.824) 9.382 11.939 ( 1.931 1.226 -3.902) 4.523 11.939 ( 1.931 1.226 3.902) 4.523 12.215 ( -5.158 -6.126 -1.594) 8.165 12.215 ( -5.158 -6.126 1.594) 8.165 13.060 ( 8.346 4.010 -8.026) 12.253 13.060 ( 8.346 4.010 8.026) 12.253 14.094 ( -4.292 -0.009 -2.585) 5.011 14.094 ( -4.292 -0.009 2.585) 5.011 14.298 ( -8.124 -2.795 -1.703) 8.759 14.298 ( -8.124 -2.795 1.703) 8.759 14.750 ( 2.174 5.129 -2.585) 6.141 14.750 ( 2.174 5.129 2.585) 6.141 15.210 ( 3.331 -1.982 -1.261) 4.076 15.210 ( 3.331 -1.982 1.261) 4.076 16.032 ( 0.975 -0.998 -0.564) 1.505 16.032 ( 0.975 -0.998 0.564) 1.505 16.958 ( 0.738 0.281 -0.405) 0.887 16.958 ( 0.738 0.281 0.405) 0.887 18.497 ( -2.957 -0.283 -1.781) 3.463 18.497 ( -2.957 -0.283 1.781) 3.463 18.697 ( 6.772 1.076 -1.877) 7.109 18.697 ( 6.772 1.076 1.877) 7.109 21.546 ( -19.554 -0.196 -2.149) 19.672 21.546 ( -19.554 -0.196 2.149) 19.672 21.886 ( 16.312 -0.029 -2.085) 16.445 21.886 ( 16.312 -0.029 2.085) 16.445 ======================= Grid point 198 (60/75) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -3.009 4.085 -2.762) 5.776 1.459 ( -3.009 4.085 2.762) 5.776 1.524 ( -3.488 5.752 -6.501) 9.355 1.524 ( -3.488 5.752 6.501) 9.355 1.656 ( -2.257 1.129 -3.240) 4.107 1.656 ( -2.257 1.129 3.240) 4.107 1.872 ( -0.803 -1.526 -2.818) 3.304 1.872 ( -0.803 -1.526 2.818) 3.304 1.949 ( -2.690 -0.481 -5.759) 6.374 1.949 ( -2.690 -0.481 5.759) 6.374 2.098 ( -3.581 2.322 -0.872) 4.356 2.098 ( -3.581 2.322 0.872) 4.356 2.252 ( -0.105 0.413 -1.651) 1.705 2.252 ( -0.105 0.413 1.651) 1.705 2.388 ( -1.624 -2.673 -1.125) 3.324 2.388 ( -1.624 -2.673 1.125) 3.324 2.488 ( -0.474 2.308 -1.761) 2.941 2.488 ( -0.474 2.308 1.761) 2.941 2.581 ( -2.909 2.619 -1.999) 4.395 2.581 ( -2.909 2.619 1.999) 4.395 2.859 ( 7.047 -0.584 -2.894) 7.641 2.859 ( 7.047 -0.584 2.894) 7.641 3.185 ( -2.892 -3.464 -1.420) 4.731 3.185 ( -2.892 -3.464 1.420) 4.731 3.344 ( -2.035 2.553 -3.208) 4.577 3.344 ( -2.035 2.553 3.208) 4.577 3.557 ( -13.759 9.517 -4.902) 17.434 3.557 ( -13.759 9.517 4.902) 17.434 3.672 ( -4.822 -5.365 -2.312) 7.575 3.672 ( -4.822 -5.365 2.312) 7.575 3.859 ( -12.559 -0.011 -8.151) 14.972 3.859 ( -12.559 -0.011 8.151) 14.972 4.017 ( 2.314 -3.591 -6.864) 8.085 4.017 ( 2.314 -3.591 6.864) 8.085 4.175 ( -4.489 -7.836 -1.845) 9.217 4.175 ( -4.489 -7.836 1.845) 9.217 4.366 ( -10.553 -1.498 -2.133) 10.870 4.366 ( -10.553 -1.498 2.133) 10.870 4.567 ( -1.448 -0.762 -1.133) 1.991 4.567 ( -1.448 -0.762 1.133) 1.991 4.935 ( -1.524 3.479 -0.277) 3.809 4.935 ( -1.524 3.479 0.277) 3.809 5.294 ( 3.437 -2.757 -5.061) 6.710 5.294 ( 3.437 -2.757 5.061) 6.710 5.714 ( -7.569 2.200 -2.492) 8.266 5.714 ( -7.569 2.200 2.492) 8.266 5.886 ( -3.064 -1.316 -2.589) 4.222 5.886 ( -3.064 -1.316 2.589) 4.222 6.289 ( -1.495 0.115 -2.182) 2.647 6.289 ( -1.495 0.115 2.182) 2.647 6.690 ( -2.411 -0.163 -5.510) 6.017 6.690 ( -2.411 -0.163 5.510) 6.017 6.760 ( 4.153 1.776 -2.128) 4.993 6.760 ( 4.153 1.776 2.128) 4.993 7.239 ( 4.059 -0.408 -3.377) 5.296 7.239 ( 4.059 -0.408 3.377) 5.296 7.884 ( 5.916 -0.887 -1.499) 6.167 7.884 ( 5.916 -0.887 1.499) 6.167 8.400 ( -6.350 -0.869 -11.215) 12.917 8.400 ( -6.350 -0.869 11.215) 12.917 8.625 ( -0.131 -2.765 -12.052) 12.366 8.625 ( -0.131 -2.765 12.052) 12.366 8.956 ( 4.344 2.123 -5.508) 7.329 8.956 ( 4.344 2.123 5.508) 7.329 9.296 ( -8.557 -3.224 -8.849) 12.724 9.296 ( -8.557 -3.224 8.849) 12.724 9.877 ( 0.054 2.124 -7.868) 8.150 9.877 ( 0.054 2.124 7.868) 8.150 10.327 ( -7.501 -0.883 -9.743) 12.327 10.327 ( -7.501 -0.883 9.743) 12.327 10.857 ( 2.654 1.179 -10.958) 11.336 10.857 ( 2.654 1.179 10.958) 11.336 11.165 ( -7.563 -2.055 -5.998) 9.869 11.165 ( -7.563 -2.055 5.998) 9.869 11.335 ( 0.692 2.051 -2.441) 3.262 11.335 ( 0.692 2.051 2.441) 3.262 11.908 ( -7.401 0.013 -4.867) 8.858 11.908 ( -7.401 0.013 4.867) 8.858 12.279 ( 6.489 -6.997 -8.827) 12.999 12.279 ( 6.489 -6.997 8.827) 12.999 13.166 ( 7.918 7.840 -11.551) 16.050 13.166 ( 7.918 7.840 11.551) 16.050 13.890 ( -17.394 -0.438 -2.713) 17.610 13.890 ( -17.394 -0.438 2.713) 17.610 14.173 ( -4.880 0.558 -2.759) 5.633 14.173 ( -4.880 0.558 2.759) 5.633 14.738 ( -0.214 -1.425 -4.789) 5.001 14.738 ( -0.214 -1.425 4.789) 5.001 15.334 ( 6.874 -0.244 -3.809) 7.863 15.334 ( 6.874 -0.244 3.809) 7.863 16.108 ( 5.433 -2.026 -0.650) 5.835 16.108 ( 5.433 -2.026 0.650) 5.835 16.976 ( 1.429 0.349 -0.024) 1.471 16.976 ( 1.429 0.349 0.024) 1.471 18.436 ( -3.161 0.442 -2.381) 3.982 18.436 ( -3.161 0.442 2.381) 3.982 18.834 ( 9.833 3.916 -2.967) 10.992 18.834 ( 9.833 3.916 2.967) 10.992 21.155 ( -22.627 -0.143 -4.187) 23.011 21.155 ( -22.627 -0.143 4.187) 23.011 22.167 ( 13.676 -0.573 -2.023) 13.837 22.167 ( 13.676 -0.573 2.023) 13.837 ======================= Grid point 200 (61/75) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -9.388 7.844 -9.597) 15.549 1.287 ( -9.388 7.844 9.597) 15.549 1.372 ( -7.126 9.521 -7.880) 14.267 1.372 ( -7.126 9.521 7.880) 14.267 1.612 ( -1.480 -0.749 -2.304) 2.839 1.612 ( -1.480 -0.749 2.304) 2.839 1.799 ( -10.074 -1.682 -1.865) 10.383 1.799 ( -10.074 -1.682 1.865) 10.383 1.885 ( -1.155 0.109 -4.436) 4.586 1.885 ( -1.155 0.109 4.436) 4.586 2.076 ( 0.444 -0.152 -2.211) 2.261 2.076 ( 0.444 -0.152 2.211) 2.261 2.210 ( -1.908 3.375 -1.766) 4.260 2.210 ( -1.908 3.375 1.766) 4.260 2.323 ( -8.735 0.692 -0.768) 8.796 2.323 ( -8.735 0.692 0.768) 8.796 2.440 ( -2.220 -0.683 -2.821) 3.654 2.440 ( -2.220 -0.683 2.821) 3.654 2.570 ( 2.420 1.420 -1.195) 3.050 2.570 ( 2.420 1.420 1.195) 3.050 2.922 ( -0.822 2.182 -3.259) 4.008 2.922 ( -0.822 2.182 3.259) 4.008 3.095 ( -12.038 11.963 -9.458) 19.429 3.095 ( -12.038 11.963 9.458) 19.429 3.218 ( -3.570 -1.550 -2.758) 4.770 3.218 ( -3.570 -1.550 2.758) 4.770 3.357 ( -9.756 -2.153 -2.309) 10.254 3.357 ( -9.756 -2.153 2.309) 10.254 3.435 ( -6.903 -3.041 -3.603) 8.360 3.435 ( -6.903 -3.041 3.603) 8.360 3.760 ( -5.912 -7.773 -7.533) 12.334 3.760 ( -5.912 -7.773 7.533) 12.334 4.028 ( -7.505 0.120 -4.378) 8.690 4.028 ( -7.505 0.120 4.378) 8.690 4.092 ( -1.561 -7.330 -4.842) 8.923 4.092 ( -1.561 -7.330 4.842) 8.923 4.348 ( 1.329 -3.516 -4.291) 5.704 4.348 ( 1.329 -3.516 4.291) 5.704 4.569 ( -0.621 -2.695 -1.532) 3.162 4.569 ( -0.621 -2.695 1.532) 3.162 4.926 ( 3.595 2.285 -1.758) 4.608 4.926 ( 3.595 2.285 1.758) 4.608 5.324 ( -3.821 -3.631 -4.591) 6.991 5.324 ( -3.821 -3.631 4.591) 6.991 5.562 ( -5.695 3.301 -4.426) 7.932 5.562 ( -5.695 3.301 4.426) 7.932 5.843 ( -2.486 -2.067 -2.096) 3.853 5.843 ( -2.486 -2.067 2.096) 3.853 6.187 ( -6.135 5.631 -0.955) 8.382 6.187 ( -6.135 5.631 0.955) 8.382 6.629 ( -3.472 -0.188 -7.841) 8.578 6.629 ( -3.472 -0.188 7.841) 8.578 6.739 ( -5.090 1.255 -5.151) 7.349 6.739 ( -5.090 1.255 5.151) 7.349 7.435 ( 14.141 -3.291 -4.177) 15.108 7.435 ( 14.141 -3.291 4.177) 15.108 8.037 ( 9.574 -1.491 -5.991) 11.392 8.037 ( 9.574 -1.491 5.991) 11.392 8.271 ( -8.850 -2.272 -8.729) 12.637 8.271 ( -8.850 -2.272 8.729) 12.637 8.651 ( 0.414 -2.228 -8.928) 9.212 8.651 ( 0.414 -2.228 8.928) 9.212 9.002 ( 0.939 0.648 -3.367) 3.555 9.002 ( 0.939 0.648 3.367) 3.555 9.189 ( -4.389 -3.543 -8.547) 10.240 9.189 ( -4.389 -3.543 8.547) 10.240 9.820 ( -5.453 -0.087 -8.169) 9.822 9.820 ( -5.453 -0.087 8.169) 9.822 10.221 ( -3.432 0.590 -9.936) 10.529 10.221 ( -3.432 0.590 9.936) 10.529 10.790 ( -9.359 2.353 -10.343) 14.145 10.790 ( -9.359 2.353 10.343) 14.145 11.034 ( -0.498 1.238 -4.447) 4.643 11.034 ( -0.498 1.238 4.447) 4.643 11.448 ( 5.637 -0.302 -5.003) 7.543 11.448 ( 5.637 -0.302 5.003) 7.543 11.728 ( -9.076 0.491 -5.514) 10.631 11.728 ( -9.076 0.491 5.514) 10.631 12.491 ( 8.420 -7.279 -12.055) 16.408 12.491 ( 8.420 -7.279 12.055) 16.408 13.208 ( 2.175 6.641 -9.960) 12.167 13.208 ( 2.175 6.641 9.960) 12.167 13.557 ( -14.009 2.956 -5.654) 15.393 13.557 ( -14.009 2.956 5.654) 15.393 14.082 ( -5.502 -0.615 -5.445) 7.765 14.082 ( -5.502 -0.615 5.445) 7.765 14.778 ( 0.755 -5.714 -5.513) 7.976 14.778 ( 0.755 -5.714 5.513) 7.976 15.454 ( 6.631 0.355 -7.914) 10.331 15.454 ( 6.631 0.355 7.914) 10.331 16.246 ( 6.874 -2.570 -1.131) 7.425 16.246 ( 6.874 -2.570 1.131) 7.425 17.001 ( 1.412 0.365 -0.396) 1.511 17.001 ( 1.412 0.365 0.396) 1.511 18.377 ( -2.371 1.206 -2.422) 3.598 18.377 ( -2.371 1.206 2.422) 3.598 18.991 ( 12.298 8.000 -4.159) 15.249 18.991 ( 12.298 8.000 4.159) 15.249 20.703 ( -25.826 0.659 -7.379) 26.867 20.703 ( -25.826 0.659 7.379) 26.867 22.411 ( 11.567 -2.035 -3.088) 12.144 22.411 ( 11.567 -2.035 3.088) 12.144 ======================= Grid point 202 (62/75) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -8.886 9.902 -12.445) 18.218 1.036 ( -8.886 9.902 12.445) 18.218 1.078 ( -14.733 7.737 -10.008) 19.418 1.078 ( -14.733 7.737 10.008) 19.418 1.606 ( -3.571 -2.382 -4.756) 6.407 1.606 ( -3.571 -2.382 4.756) 6.407 1.667 ( -0.712 -0.459 -0.564) 1.017 1.667 ( -0.712 -0.459 0.564) 1.017 1.840 ( -4.052 1.990 -6.302) 7.752 1.840 ( -4.052 1.990 6.302) 7.752 2.002 ( -3.001 8.330 -8.918) 12.567 2.002 ( -3.001 8.330 8.918) 12.567 2.152 ( -8.988 -1.534 -1.483) 9.238 2.152 ( -8.988 -1.534 1.483) 9.238 2.179 ( -1.947 2.478 -4.481) 5.478 2.179 ( -1.947 2.478 4.481) 5.478 2.337 ( -6.234 0.688 -5.900) 8.610 2.337 ( -6.234 0.688 5.900) 8.610 2.598 ( 0.178 1.679 -3.807) 4.165 2.598 ( 0.178 1.679 3.807) 4.165 2.746 ( -9.259 4.175 -7.358) 12.542 2.746 ( -9.259 4.175 7.358) 12.542 2.886 ( -0.488 1.595 -1.881) 2.514 2.886 ( -0.488 1.595 1.881) 2.514 3.113 ( -4.806 -0.314 -4.672) 6.710 3.113 ( -4.806 -0.314 4.672) 6.710 3.279 ( -1.277 -0.895 -2.426) 2.884 3.279 ( -1.277 -0.895 2.426) 2.884 3.530 ( 3.651 -9.048 -3.528) 10.375 3.530 ( 3.651 -9.048 3.528) 10.375 3.705 ( -5.949 -6.641 -6.638) 11.115 3.705 ( -5.949 -6.641 6.638) 11.115 3.918 ( -3.195 0.340 -5.997) 6.803 3.918 ( -3.195 0.340 5.997) 6.803 4.104 ( -3.428 -5.751 -10.041) 12.069 4.104 ( -3.428 -5.751 10.041) 12.069 4.388 ( 0.681 0.618 -5.626) 5.701 4.388 ( 0.681 0.618 5.626) 5.701 4.587 ( 0.590 -3.078 -3.351) 4.588 4.587 ( 0.590 -3.078 3.351) 4.588 5.022 ( 7.206 1.753 -2.586) 7.854 5.022 ( 7.206 1.753 2.586) 7.854 5.237 ( -6.538 -2.674 -2.505) 7.494 5.237 ( -6.538 -2.674 2.505) 7.494 5.442 ( -5.290 1.624 -1.262) 5.676 5.442 ( -5.290 1.624 1.262) 5.676 5.842 ( 0.485 -1.696 -1.785) 2.510 5.842 ( 0.485 -1.696 1.785) 2.510 6.004 ( -6.511 7.450 -0.402) 9.902 6.004 ( -6.511 7.450 0.402) 9.902 6.554 ( -5.119 -0.342 -9.231) 10.561 6.554 ( -5.119 -0.342 9.231) 10.561 6.633 ( -2.607 2.488 -17.148) 17.523 6.633 ( -2.607 2.488 17.148) 17.523 7.732 ( 12.231 -4.545 -2.188) 13.230 7.732 ( 12.231 -4.545 2.188) 13.230 8.119 ( -8.911 -3.375 -5.118) 10.816 8.119 ( -8.911 -3.375 5.118) 10.816 8.269 ( 12.384 -3.761 -12.197) 17.784 8.269 ( 12.384 -3.761 12.197) 17.784 8.663 ( -0.783 -0.375 -5.986) 6.049 8.663 ( -0.783 -0.375 5.986) 6.049 8.976 ( -4.499 -6.727 -3.976) 9.017 8.976 ( -4.499 -6.727 3.976) 9.017 9.221 ( 4.657 -1.434 -4.559) 6.673 9.221 ( 4.657 -1.434 4.559) 6.673 9.685 ( -9.451 -1.805 -7.992) 12.508 9.685 ( -9.451 -1.805 7.992) 12.508 10.182 ( -0.112 2.477 -11.105) 11.379 10.182 ( -0.112 2.477 11.105) 11.379 10.588 ( -8.540 0.776 -9.523) 12.814 10.588 ( -8.540 0.776 9.523) 12.814 11.071 ( 5.163 4.161 -7.613) 10.096 11.071 ( 5.163 4.161 7.613) 10.096 11.386 ( -9.261 2.558 -3.235) 10.138 11.386 ( -9.261 2.558 3.235) 10.138 11.688 ( 3.999 3.189 -8.464) 9.890 11.688 ( 3.999 3.189 8.464) 9.890 12.680 ( 5.189 -6.337 -10.512) 13.326 12.680 ( 5.189 -6.337 10.512) 13.326 13.106 ( -8.715 -2.221 -2.012) 9.216 13.106 ( -8.715 -2.221 2.012) 9.216 13.437 ( 5.430 7.598 -9.794) 13.532 13.437 ( 5.430 7.598 9.794) 13.532 13.965 ( -8.582 -2.381 -9.246) 12.838 13.965 ( -8.582 -2.381 9.246) 12.838 14.832 ( 0.039 -4.358 -6.076) 7.477 14.832 ( 0.039 -4.358 6.076) 7.477 15.595 ( 7.182 -3.127 -10.287) 12.930 15.595 ( 7.182 -3.127 10.287) 12.930 16.401 ( 6.479 -5.340 -2.312) 8.709 16.401 ( 6.479 -5.340 2.312) 8.709 17.019 ( 0.840 0.305 -0.686) 1.126 17.019 ( 0.840 0.305 0.686) 1.126 18.332 ( -1.237 1.381 -2.110) 2.809 18.332 ( -1.237 1.381 2.110) 2.809 19.156 ( 15.351 15.052 -6.899) 22.579 19.156 ( 15.351 15.052 6.899) 22.579 20.180 ( -28.270 2.755 -8.302) 29.593 20.180 ( -28.270 2.755 8.302) 29.593 22.630 ( 8.686 -4.668 -3.406) 10.432 22.630 ( 8.686 -4.668 3.406) 10.432 ======================= Grid point 204 (63/75) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.000 8.274 -14.059) 16.313 0.789 ( 0.000 8.274 14.059) 16.313 0.921 ( 0.000 1.796 -22.364) 22.436 0.921 ( 0.000 1.796 22.364) 22.436 1.569 ( -0.000 -1.859 -6.925) 7.170 1.569 ( -0.000 -1.859 6.925) 7.170 1.660 ( 0.000 11.516 -16.942) 20.485 1.660 ( 0.000 11.516 16.942) 20.485 1.774 ( 0.000 2.418 -6.469) 6.906 1.774 ( 0.000 2.418 6.469) 6.906 1.940 ( 0.000 5.457 -8.606) 10.191 1.940 ( 0.000 5.457 8.606) 10.191 1.977 ( -0.000 -2.421 -1.160) 2.685 1.977 ( -0.000 -2.421 1.160) 2.685 2.126 ( 0.000 2.169 -3.623) 4.222 2.126 ( 0.000 2.169 3.623) 4.222 2.306 ( -0.000 -2.129 -8.506) 8.768 2.306 ( -0.000 -2.129 8.506) 8.768 2.542 ( 0.000 0.015 -1.941) 1.941 2.542 ( 0.000 0.015 1.941) 1.941 2.706 ( -0.000 -0.426 -2.563) 2.598 2.706 ( -0.000 -0.426 2.563) 2.598 2.986 ( -0.000 -2.311 -0.436) 2.352 2.986 ( -0.000 -2.311 0.436) 2.352 3.002 ( -0.000 -2.679 -10.321) 10.663 3.002 ( -0.000 -2.679 10.321) 10.663 3.256 ( 0.000 1.438 -1.373) 1.988 3.256 ( 0.000 1.438 1.373) 1.988 3.635 ( -0.000 -1.547 -6.380) 6.564 3.635 ( -0.000 -1.547 6.380) 6.564 3.676 ( -0.000 -7.478 -7.606) 10.667 3.676 ( -0.000 -7.478 7.606) 10.667 3.910 ( -0.000 -0.800 -6.933) 6.979 3.910 ( -0.000 -0.800 6.933) 6.979 4.091 ( -0.000 -3.454 -10.155) 10.726 4.091 ( -0.000 -3.454 10.155) 10.726 4.371 ( 0.000 2.504 -6.286) 6.766 4.371 ( 0.000 2.504 6.286) 6.766 4.630 ( -0.000 -3.621 -4.798) 6.011 4.630 ( -0.000 -3.621 4.798) 6.011 5.080 ( 0.000 5.866 -1.945) 6.180 5.080 ( 0.000 5.866 1.945) 6.180 5.182 ( -0.000 -2.376 -2.285) 3.296 5.182 ( -0.000 -2.376 2.285) 3.296 5.378 ( -0.000 -1.204 -2.505) 2.780 5.378 ( -0.000 -1.204 2.505) 2.780 5.868 ( 0.000 6.722 -0.462) 6.738 5.868 ( 0.000 6.722 0.462) 6.738 5.870 ( -0.000 -1.531 -1.765) 2.337 5.870 ( -0.000 -1.531 1.765) 2.337 6.495 ( -0.000 -0.017 -13.054) 13.054 6.495 ( -0.000 -0.017 13.054) 13.054 6.596 ( 0.000 2.064 -19.547) 19.656 6.596 ( 0.000 2.064 19.547) 19.656 7.890 ( -0.000 -0.509 -1.111) 1.222 7.890 ( -0.000 -0.509 1.111) 1.222 8.051 ( -0.000 -6.545 -4.530) 7.960 8.051 ( -0.000 -6.545 4.530) 7.960 8.476 ( -0.000 -4.769 -16.118) 16.809 8.476 ( -0.000 -4.769 16.118) 16.809 8.629 ( 0.000 1.113 -11.096) 11.152 8.629 ( 0.000 1.113 11.096) 11.152 9.007 ( -0.000 -10.878 -7.282) 13.090 9.007 ( -0.000 -10.878 7.282) 13.090 9.331 ( -0.000 -5.079 -4.981) 7.114 9.331 ( -0.000 -5.079 4.981) 7.114 9.558 ( -0.000 -0.304 -9.277) 9.282 9.558 ( -0.000 -0.304 9.277) 9.282 10.154 ( 0.000 4.239 -12.474) 13.175 10.154 ( 0.000 4.239 12.474) 13.175 10.501 ( 0.000 0.056 -9.550) 9.551 10.501 ( 0.000 0.056 9.550) 9.551 11.092 ( 0.000 10.379 -12.250) 16.055 11.092 ( 0.000 10.379 12.250) 16.055 11.242 ( -0.000 -0.153 -3.589) 3.593 11.242 ( -0.000 -0.153 3.589) 3.593 11.693 ( 0.000 5.607 -8.217) 9.948 11.693 ( 0.000 5.607 8.217) 9.948 12.771 ( -0.000 -4.321 -8.191) 9.261 12.771 ( -0.000 -4.321 8.191) 9.261 13.041 ( -0.000 -3.878 -0.896) 3.980 13.041 ( -0.000 -3.878 0.896) 3.980 13.500 ( 0.000 3.658 -0.654) 3.716 13.500 ( 0.000 3.658 0.654) 3.716 13.860 ( -0.000 -2.475 -16.407) 16.593 13.860 ( -0.000 -2.475 16.407) 16.593 14.853 ( -0.000 -1.652 -6.619) 6.822 14.853 ( -0.000 -1.652 6.619) 6.822 15.718 ( -0.000 -5.661 -8.075) 9.861 15.718 ( -0.000 -5.661 8.075) 9.861 16.553 ( -0.000 -11.296 -2.127) 11.495 16.553 ( -0.000 -11.296 2.127) 11.495 17.026 ( 0.000 0.033 -0.936) 0.937 17.026 ( 0.000 0.033 0.936) 0.937 18.312 ( 0.000 0.556 -1.414) 1.520 18.312 ( 0.000 0.556 1.414) 1.520 19.198 ( 0.000 26.393 -11.966) 28.978 19.198 ( 0.000 26.393 11.966) 28.978 19.793 ( 0.000 0.072 -0.029) 0.077 19.793 ( 0.000 0.072 0.029) 0.077 22.771 ( -0.000 -5.993 -1.336) 6.140 22.771 ( -0.000 -5.993 1.336) 6.140 ======================= Grid point 210 (64/75) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 5.772 0.000 -0.404) 5.786 1.459 ( 5.772 0.000 0.404) 5.786 1.575 ( 6.001 0.000 -1.722) 6.243 1.575 ( 6.001 0.000 1.722) 6.243 1.674 ( 0.464 0.000 -0.099) 0.474 1.674 ( 0.464 0.000 0.099) 0.474 1.875 ( 1.549 0.000 -1.964) 2.501 1.875 ( 1.549 0.000 1.964) 2.501 1.988 ( -4.192 -0.000 -1.447) 4.434 1.988 ( -4.192 -0.000 1.447) 4.434 2.130 ( 5.464 0.000 -6.180) 8.249 2.130 ( 5.464 0.000 6.180) 8.249 2.212 ( 1.682 0.000 -1.689) 2.384 2.212 ( 1.682 0.000 1.689) 2.384 2.306 ( -0.514 -0.000 -2.552) 2.603 2.306 ( -0.514 -0.000 2.552) 2.603 2.613 ( -2.512 -0.000 -2.228) 3.358 2.613 ( -2.512 -0.000 2.228) 3.358 2.674 ( -1.300 -0.000 -0.401) 1.361 2.674 ( -1.300 -0.000 0.401) 1.361 2.876 ( -1.287 -0.000 -2.978) 3.244 2.876 ( -1.287 -0.000 2.978) 3.244 3.162 ( 5.018 0.000 -0.273) 5.026 3.162 ( 5.018 0.000 0.273) 5.026 3.264 ( 8.135 0.000 -5.762) 9.969 3.264 ( 8.135 0.000 5.762) 9.969 3.457 ( 0.843 0.000 -3.486) 3.586 3.457 ( 0.843 0.000 3.486) 3.586 3.819 ( -0.061 -0.000 -3.893) 3.894 3.819 ( -0.061 -0.000 3.893) 3.894 3.907 ( -1.182 -0.000 -2.869) 3.103 3.907 ( -1.182 -0.000 2.869) 3.103 4.068 ( -4.221 -0.000 -0.327) 4.233 4.068 ( -4.221 -0.000 0.327) 4.233 4.481 ( 5.043 0.000 -3.358) 6.059 4.481 ( 5.043 0.000 3.358) 6.059 4.572 ( -1.740 -0.000 -8.233) 8.415 4.572 ( -1.740 -0.000 8.233) 8.415 4.674 ( 2.662 0.000 -2.227) 3.471 4.674 ( 2.662 0.000 2.227) 3.471 4.829 ( 4.282 0.000 -0.919) 4.379 4.829 ( 4.282 0.000 0.919) 4.379 5.366 ( -4.062 -0.000 -3.491) 5.356 5.366 ( -4.062 -0.000 3.491) 5.356 5.748 ( 6.539 0.000 -4.758) 8.087 5.748 ( 6.539 0.000 4.758) 8.087 5.887 ( 0.333 0.000 -2.828) 2.848 5.887 ( 0.333 0.000 2.828) 2.848 6.409 ( -7.506 -0.000 -3.890) 8.454 6.409 ( -7.506 -0.000 3.890) 8.454 6.514 ( 2.862 0.000 -1.116) 3.072 6.514 ( 2.862 0.000 1.116) 3.072 6.787 ( 0.966 0.000 -3.552) 3.681 6.787 ( 0.966 0.000 3.552) 3.681 7.223 ( 0.343 0.000 -0.086) 0.354 7.223 ( 0.343 0.000 0.086) 0.354 7.805 ( -2.774 -0.000 -1.386) 3.101 7.805 ( -2.774 -0.000 1.386) 3.101 8.539 ( 1.665 0.000 -14.468) 14.563 8.539 ( 1.665 0.000 14.468) 14.563 8.684 ( -6.705 -0.000 -13.148) 14.759 8.684 ( -6.705 -0.000 13.148) 14.759 8.805 ( 4.143 0.000 -2.275) 4.727 8.805 ( 4.143 0.000 2.275) 4.727 9.461 ( -2.176 -0.000 -4.118) 4.658 9.461 ( -2.176 -0.000 4.118) 4.658 9.855 ( 5.900 0.000 -7.576) 9.602 9.855 ( 5.900 0.000 7.576) 9.602 10.371 ( 0.119 0.000 -8.758) 8.759 10.371 ( 0.119 0.000 8.758) 8.759 10.771 ( 1.897 0.000 -8.779) 8.981 10.771 ( 1.897 0.000 8.779) 8.981 11.130 ( -5.954 -0.000 -1.397) 6.116 11.130 ( -5.954 -0.000 1.397) 6.116 11.499 ( 12.187 0.000 -10.926) 16.368 11.499 ( 12.187 0.000 10.926) 16.368 12.032 ( 2.653 0.000 -1.832) 3.224 12.032 ( 2.653 0.000 1.832) 3.224 12.312 ( -17.554 -0.000 -14.488) 22.761 12.312 ( -17.554 -0.000 14.488) 22.761 12.927 ( 8.380 0.000 -5.012) 9.764 12.927 ( 8.380 0.000 5.012) 9.764 14.119 ( 1.903 0.000 -4.830) 5.191 14.119 ( 1.903 0.000 4.830) 5.191 14.263 ( 8.473 0.000 -0.349) 8.481 14.263 ( 8.473 0.000 0.349) 8.481 14.777 ( 0.302 0.000 -2.328) 2.347 14.777 ( 0.302 0.000 2.328) 2.347 15.228 ( -5.955 -0.000 -1.345) 6.105 15.228 ( -5.955 -0.000 1.345) 6.105 16.061 ( -4.508 -0.000 -0.108) 4.509 16.061 ( -4.508 -0.000 0.108) 4.509 16.957 ( -0.267 -0.000 -1.003) 1.038 16.957 ( -0.267 -0.000 1.003) 1.038 18.508 ( 2.871 0.000 -0.817) 2.985 18.508 ( 2.871 0.000 0.817) 2.985 18.619 ( -0.410 -0.000 -0.819) 0.916 18.619 ( -0.410 -0.000 0.819) 0.916 21.551 ( 19.491 0.000 -3.773) 19.853 21.551 ( 19.491 0.000 3.773) 19.853 21.886 ( -16.978 -0.000 -1.496) 17.044 21.886 ( -16.978 -0.000 1.496) 17.043 ======================= Grid point 212 (65/75) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 1.726 0.867 -2.026) 2.799 1.523 ( 1.726 0.867 2.026) 2.799 1.635 ( 0.458 1.406 -1.399) 2.036 1.635 ( 0.458 1.406 1.399) 2.036 1.695 ( 2.891 0.990 -1.830) 3.562 1.695 ( 2.891 0.990 1.830) 3.562 1.867 ( -4.545 -1.714 -1.156) 4.993 1.867 ( -4.545 -1.714 1.156) 4.993 1.947 ( 1.748 0.666 -2.707) 3.290 1.947 ( 1.748 0.666 2.707) 3.290 2.185 ( -1.176 0.029 -3.076) 3.294 2.185 ( -1.176 0.029 3.076) 3.294 2.242 ( 2.595 0.653 -6.073) 6.636 2.242 ( 2.595 0.653 6.073) 6.636 2.337 ( 1.508 -2.418 -2.871) 4.045 2.337 ( 1.508 -2.418 2.871) 4.045 2.536 ( -3.945 0.733 -2.566) 4.762 2.536 ( -3.945 0.733 2.566) 4.762 2.673 ( 1.039 1.109 -1.833) 2.381 2.673 ( 1.039 1.109 1.833) 2.381 2.838 ( 0.971 3.526 -3.991) 5.413 2.838 ( 0.971 3.526 3.991) 5.413 3.219 ( -0.189 4.122 -2.223) 4.687 3.219 ( -0.189 4.122 2.223) 4.687 3.341 ( -1.144 -6.927 -2.907) 7.599 3.341 ( -1.144 -6.927 2.907) 7.599 3.490 ( -0.202 -4.425 -4.968) 6.656 3.490 ( -0.202 -4.425 4.968) 6.656 3.840 ( -0.605 2.412 -1.372) 2.840 3.840 ( -0.605 2.412 1.372) 2.840 3.875 ( 1.205 -1.717 -5.825) 6.191 3.875 ( 1.205 -1.717 5.825) 6.191 3.997 ( -4.191 -3.041 -2.101) 5.588 3.997 ( -4.191 -3.041 2.101) 5.588 4.346 ( -12.403 6.193 -7.052) 15.553 4.346 ( -12.403 6.193 7.052) 15.553 4.542 ( -3.144 -0.053 -5.372) 6.225 4.542 ( -3.144 -0.053 5.372) 6.225 4.650 ( -5.685 -0.027 -5.772) 8.102 4.650 ( -5.685 -0.027 5.772) 8.102 4.949 ( 2.835 -2.718 -0.469) 3.955 4.949 ( 2.835 -2.718 0.469) 3.955 5.269 ( -2.261 2.757 -1.663) 3.934 5.269 ( -2.261 2.757 1.663) 3.934 5.823 ( -2.060 -1.230 -6.150) 6.602 5.823 ( -2.060 -1.230 6.150) 6.602 5.912 ( 1.628 0.345 -7.481) 7.664 5.912 ( 1.628 0.345 7.481) 7.664 6.226 ( -3.679 -1.663 -0.485) 4.066 6.226 ( -3.679 -1.663 0.485) 4.066 6.676 ( 8.833 1.797 -6.239) 10.962 6.676 ( 8.833 1.797 6.239) 10.962 6.764 ( -2.934 -0.169 -2.552) 3.893 6.764 ( -2.934 -0.169 2.552) 3.893 7.224 ( -0.334 0.093 -1.474) 1.514 7.224 ( -0.334 0.093 1.474) 1.514 7.796 ( 1.683 -0.303 -0.570) 1.803 7.796 ( 1.683 -0.303 0.570) 1.803 8.517 ( -4.481 1.539 -9.775) 10.863 8.517 ( -4.481 1.539 9.775) 10.863 8.591 ( -2.122 -1.425 -12.298) 12.561 8.591 ( -2.122 -1.425 12.298) 12.561 8.890 ( 4.520 -0.217 -3.689) 5.838 8.890 ( 4.520 -0.217 3.689) 5.838 9.387 ( -5.926 -0.905 -6.816) 9.077 9.387 ( -5.926 -0.905 6.816) 9.077 9.924 ( 2.012 2.262 -9.502) 9.973 9.924 ( 2.012 2.262 9.502) 9.973 10.372 ( -2.185 -2.925 -11.962) 12.507 10.372 ( -2.185 -2.925 11.962) 12.507 10.799 ( 1.672 0.015 -9.798) 9.939 10.799 ( 1.672 0.015 9.798) 9.939 11.073 ( -0.665 -2.145 -2.132) 3.097 11.073 ( -0.665 -2.145 2.132) 3.097 11.617 ( -2.394 3.784 -5.185) 6.851 11.617 ( -2.394 3.784 5.185) 6.851 11.986 ( -2.322 4.355 -0.945) 5.025 11.986 ( -2.322 4.355 0.945) 5.025 12.104 ( -5.526 -6.638 -2.582) 9.015 12.104 ( -5.526 -6.638 2.582) 9.015 13.110 ( 11.005 1.731 -10.448) 15.273 13.110 ( 11.005 1.731 10.448) 15.273 14.098 ( -4.622 0.267 -1.856) 4.988 14.098 ( -4.622 0.267 1.856) 4.988 14.253 ( -7.286 -1.810 -1.546) 7.665 14.253 ( -7.286 -1.810 1.546) 7.665 14.835 ( 1.328 3.640 -3.578) 5.274 14.835 ( 1.328 3.640 3.578) 5.274 15.175 ( 2.970 -1.718 -2.055) 3.999 15.175 ( 2.970 -1.718 2.055) 3.999 16.019 ( 0.194 -0.459 -0.745) 0.896 16.019 ( 0.194 -0.459 0.745) 0.896 16.962 ( 0.801 0.163 -0.800) 1.144 16.962 ( 0.801 0.163 0.800) 1.144 18.493 ( -2.723 -0.151 -1.967) 3.362 18.493 ( -2.723 -0.151 1.967) 3.362 18.707 ( 8.157 0.287 -1.890) 8.378 18.707 ( 8.157 0.287 1.890) 8.378 21.543 ( -19.621 -0.091 -1.367) 19.669 21.543 ( -19.621 -0.091 1.367) 19.669 21.886 ( 16.157 -0.021 -2.199) 16.305 21.886 ( 16.157 -0.021 2.199) 16.305 ======================= Grid point 214 (66/75) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.665 2.168 -1.269) 3.014 1.512 ( -1.665 2.168 1.269) 3.014 1.616 ( 0.384 4.695 -1.644) 4.989 1.616 ( 0.384 4.695 1.644) 4.989 1.679 ( -3.905 1.340 -6.363) 7.585 1.679 ( -3.905 1.340 6.363) 7.585 1.836 ( -0.316 -2.224 -2.698) 3.511 1.836 ( -0.316 -2.224 2.698) 3.511 1.958 ( -1.710 0.991 -5.668) 6.003 1.958 ( -1.710 0.991 5.668) 6.003 2.127 ( -3.530 1.149 -1.980) 4.207 2.127 ( -3.530 1.149 1.980) 4.207 2.263 ( -0.256 0.350 -2.200) 2.242 2.263 ( -0.256 0.350 2.200) 2.242 2.348 ( -0.861 -1.225 -4.575) 4.814 2.348 ( -0.861 -1.225 4.575) 4.814 2.492 ( -0.584 0.143 -4.207) 4.250 2.492 ( -0.584 0.143 4.207) 4.250 2.670 ( 0.050 4.159 -1.941) 4.590 2.670 ( 0.050 4.159 1.941) 4.590 2.883 ( 5.921 3.156 -0.466) 6.726 2.883 ( 5.921 3.156 0.466) 6.726 3.125 ( -5.245 -1.183 -1.930) 5.712 3.125 ( -5.245 -1.183 1.930) 5.712 3.330 ( -4.794 -4.144 -4.097) 7.545 3.330 ( -4.794 -4.144 4.097) 7.545 3.526 ( -3.666 -7.792 -4.846) 9.881 3.526 ( -3.666 -7.792 4.846) 9.881 3.713 ( -7.725 4.274 -4.193) 9.773 3.713 ( -7.725 4.274 4.193) 9.773 3.878 ( -12.504 2.137 -6.598) 14.299 3.878 ( -12.504 2.137 6.598) 14.299 3.963 ( -0.422 -3.108 -3.986) 5.072 3.963 ( -0.422 -3.108 3.986) 5.072 4.098 ( -5.709 -0.645 -5.068) 7.662 4.098 ( -5.709 -0.645 5.068) 7.662 4.343 ( -13.336 -1.032 -2.483) 13.604 4.343 ( -13.336 -1.032 2.483) 13.604 4.575 ( -1.890 1.368 -2.770) 3.621 4.575 ( -1.890 1.368 2.770) 3.621 4.960 ( -1.203 -0.506 -0.325) 1.345 4.960 ( -1.203 -0.506 0.325) 1.345 5.273 ( 2.017 0.178 -5.024) 5.417 5.273 ( 2.017 0.178 5.024) 5.417 5.722 ( -8.197 -1.226 -3.167) 8.872 5.722 ( -8.197 -1.226 3.167) 8.872 5.883 ( -2.572 1.088 -2.769) 3.933 5.883 ( -2.572 1.088 2.769) 3.933 6.277 ( 2.620 -1.303 -4.306) 5.206 6.277 ( 2.620 -1.303 4.306) 5.206 6.692 ( -3.268 0.317 -7.973) 8.623 6.692 ( -3.268 0.317 7.973) 8.623 6.792 ( 3.416 1.665 -5.858) 6.982 6.792 ( 3.416 1.665 5.858) 6.982 7.235 ( 3.118 -0.105 -3.343) 4.573 7.235 ( 3.118 -0.105 3.343) 4.573 7.868 ( 5.402 -0.807 -0.636) 5.499 7.868 ( 5.402 -0.807 0.636) 5.499 8.394 ( -7.326 -0.057 -8.315) 11.082 8.394 ( -7.326 -0.057 8.315) 11.082 8.590 ( 0.064 -1.355 -9.601) 9.697 8.590 ( 0.064 -1.355 9.601) 9.697 8.971 ( 3.785 -0.017 -4.070) 5.558 8.971 ( 3.785 -0.017 4.070) 5.558 9.263 ( -7.709 -0.901 -7.230) 10.607 9.263 ( -7.709 -0.901 7.230) 10.607 9.900 ( -3.109 0.692 -10.212) 10.697 9.900 ( -3.109 0.692 10.212) 10.697 10.316 ( -4.690 -0.429 -11.066) 12.026 10.316 ( -4.690 -0.429 11.066) 12.026 10.844 ( 1.324 -2.146 -11.779) 12.046 10.844 ( 1.324 -2.146 11.779) 12.046 11.118 ( 0.758 -2.359 -1.754) 3.036 11.118 ( 0.758 -2.359 1.754) 3.036 11.405 ( -8.446 4.940 -1.270) 9.866 11.405 ( -8.446 4.940 1.270) 9.866 11.896 ( -8.578 -1.410 -3.445) 9.351 11.896 ( -8.578 -1.410 3.445) 9.351 12.196 ( 9.214 -3.113 -10.355) 14.206 12.196 ( 9.214 -3.113 10.355) 14.206 13.274 ( 8.751 4.896 -13.599) 16.896 13.274 ( 8.751 4.896 13.599) 16.896 13.882 ( -16.807 -0.450 -1.714) 16.900 13.882 ( -16.807 -0.450 1.714) 16.900 14.170 ( -3.449 -0.749 -3.036) 4.655 14.170 ( -3.449 -0.749 3.036) 4.655 14.741 ( -5.226 1.306 -6.219) 8.227 14.741 ( -5.226 1.306 6.219) 8.227 15.326 ( 8.630 -0.593 -5.068) 10.025 15.326 ( 8.630 -0.593 5.068) 10.025 16.080 ( 5.338 -1.213 -0.328) 5.484 16.080 ( 5.338 -1.213 0.328) 5.484 16.982 ( 1.436 0.276 -0.468) 1.536 16.982 ( 1.436 0.276 0.468) 1.536 18.442 ( -2.543 0.229 -2.723) 3.733 18.442 ( -2.543 0.229 2.723) 3.733 18.882 ( 11.351 1.889 -2.894) 11.865 18.882 ( 11.351 1.889 2.894) 11.865 21.152 ( -22.507 -0.176 -2.552) 22.652 21.152 ( -22.507 -0.176 2.552) 22.652 22.159 ( 13.058 -0.356 -1.670) 13.169 22.159 ( 13.058 -0.356 1.670) 13.169 ======================= Grid point 216 (67/75) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -5.496 6.640 -7.126) 11.184 1.411 ( -5.496 6.640 7.126) 11.184 1.532 ( -5.099 8.445 -2.009) 10.067 1.532 ( -5.099 8.445 2.009) 10.067 1.600 ( -3.333 -0.412 -3.454) 4.818 1.600 ( -3.333 -0.412 3.454) 4.818 1.783 ( -7.629 -0.305 -2.677) 8.091 1.783 ( -7.629 -0.305 2.677) 8.091 1.885 ( -3.465 0.279 -4.792) 5.920 1.885 ( -3.465 0.279 4.792) 5.920 2.074 ( -1.735 -0.733 -3.353) 3.846 2.074 ( -1.735 -0.733 3.353) 3.846 2.229 ( -2.251 0.397 -1.862) 2.948 2.229 ( -2.251 0.397 1.862) 2.948 2.352 ( -1.476 0.822 -2.017) 2.631 2.352 ( -1.476 0.822 2.017) 2.631 2.465 ( -2.118 3.409 -1.724) 4.368 2.465 ( -2.118 3.409 1.724) 4.368 2.617 ( 2.042 5.215 -1.750) 5.868 2.617 ( 2.042 5.215 1.750) 5.868 2.939 ( -0.529 0.742 -1.812) 2.028 2.939 ( -0.529 0.742 1.812) 2.028 3.111 ( -2.211 -5.411 -0.616) 5.877 3.111 ( -2.211 -5.411 0.616) 5.877 3.236 ( -8.725 -6.874 -1.248) 11.177 3.236 ( -8.725 -6.874 1.248) 11.177 3.371 ( -12.727 7.355 -3.751) 15.170 3.371 ( -12.727 7.355 3.751) 15.170 3.467 ( -12.855 6.503 -8.957) 16.964 3.467 ( -12.855 6.503 8.957) 16.964 3.633 ( -6.252 -5.569 -4.840) 9.671 3.633 ( -6.252 -5.569 4.840) 9.671 3.968 ( -4.699 -5.390 -3.834) 8.113 3.968 ( -4.699 -5.390 3.834) 8.113 4.028 ( -3.791 -2.241 -7.554) 8.744 4.028 ( -3.791 -2.241 7.554) 8.744 4.271 ( 1.402 -4.736 -1.797) 5.255 4.271 ( 1.402 -4.736 1.797) 5.255 4.547 ( -0.399 -0.142 -4.599) 4.618 4.547 ( -0.399 -0.142 4.599) 4.618 4.956 ( 1.691 0.816 -0.875) 2.071 4.956 ( 1.691 0.816 0.875) 2.071 5.276 ( -3.299 -1.850 -3.292) 5.014 5.276 ( -3.299 -1.850 3.292) 5.014 5.581 ( -7.766 -1.285 -4.385) 9.011 5.581 ( -7.766 -1.285 4.385) 9.011 5.832 ( -1.173 1.145 -4.412) 4.707 5.832 ( -1.173 1.145 4.412) 4.707 6.259 ( -3.719 2.846 -2.516) 5.317 6.259 ( -3.719 2.846 2.516) 5.317 6.632 ( -3.075 0.511 -6.341) 7.066 6.632 ( -3.075 0.511 6.341) 7.066 6.762 ( -4.351 1.315 -3.501) 5.737 6.762 ( -4.351 1.315 3.501) 5.737 7.389 ( 11.818 -2.170 -4.110) 12.699 7.389 ( 11.818 -2.170 4.110) 12.699 8.006 ( 8.036 -1.893 -4.218) 9.271 8.006 ( 8.036 -1.893 4.218) 9.271 8.247 ( -8.767 -0.748 -5.845) 10.563 8.247 ( -8.767 -0.748 5.845) 10.563 8.613 ( 0.885 -2.084 -7.464) 7.800 8.613 ( 0.885 -2.084 7.464) 7.800 8.989 ( -4.382 -1.710 -3.304) 5.748 8.989 ( -4.382 -1.710 3.304) 5.748 9.170 ( -0.172 0.620 -4.247) 4.296 9.170 ( -0.172 0.620 4.247) 4.296 9.799 ( -8.017 -1.836 -10.406) 13.264 9.799 ( -8.017 -1.836 10.406) 13.264 10.246 ( -1.567 1.746 -9.641) 9.923 10.246 ( -1.567 1.746 9.641) 9.923 10.802 ( -9.369 -0.584 -12.212) 15.403 10.802 ( -9.369 -0.584 12.212) 15.403 11.062 ( -0.470 1.810 -4.263) 4.655 11.062 ( -0.470 1.810 4.263) 4.655 11.422 ( 6.456 -2.061 -3.918) 7.828 11.422 ( 6.456 -2.061 3.918) 7.828 11.721 ( -9.699 -1.136 -4.236) 10.644 11.721 ( -9.699 -1.136 4.236) 10.644 12.412 ( 10.512 -2.626 -14.404) 18.024 12.412 ( 10.512 -2.626 14.404) 18.024 13.303 ( -4.036 4.855 -8.768) 10.805 13.303 ( -4.036 4.855 8.768) 10.805 13.597 ( -8.994 1.676 -6.762) 11.377 13.597 ( -8.994 1.676 6.762) 11.377 14.087 ( -5.696 0.915 -1.973) 6.097 14.087 ( -5.696 0.915 1.973) 6.097 14.694 ( -0.781 -3.918 -4.623) 6.110 14.694 ( -0.781 -3.918 4.623) 6.110 15.463 ( 6.263 0.565 -9.438) 11.342 15.463 ( 6.263 0.565 9.438) 11.342 16.213 ( 6.991 -1.386 -0.210) 7.131 16.213 ( 6.991 -1.386 0.210) 7.131 17.007 ( 1.405 0.317 -0.119) 1.445 17.007 ( 1.405 0.317 0.119) 1.445 18.396 ( -1.828 0.980 -3.080) 3.713 18.396 ( -1.828 0.980 3.080) 3.713 19.095 ( 14.373 4.473 -4.122) 15.607 19.095 ( 14.373 4.473 4.122) 15.607 20.711 ( -24.861 0.220 -4.981) 25.356 20.711 ( -24.861 0.220 4.981) 25.356 22.381 ( 10.088 -1.479 -2.290) 10.449 22.381 ( 10.088 -1.479 2.290) 10.449 ======================= Grid point 218 (68/75) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -8.099 10.595 -10.601) 17.036 1.214 ( -8.099 10.595 10.601) 17.036 1.254 ( -12.405 12.094 -5.718) 18.244 1.254 ( -12.405 12.094 5.718) 18.244 1.564 ( -3.448 -2.287 -3.116) 5.180 1.564 ( -3.448 -2.287 3.116) 5.180 1.660 ( -2.515 -0.140 -1.517) 2.941 1.660 ( -2.515 -0.140 1.517) 2.941 1.839 ( -1.930 -1.258 -2.668) 3.525 1.839 ( -1.930 -1.258 2.668) 3.525 2.008 ( -8.836 -4.491 -2.546) 10.233 2.008 ( -8.836 -4.491 2.546) 10.233 2.190 ( 0.402 3.936 -3.372) 5.199 2.190 ( 0.402 3.936 3.372) 5.199 2.292 ( 1.621 8.392 -3.825) 9.364 2.292 ( 1.621 8.392 3.825) 9.364 2.367 ( -5.182 4.195 -2.622) 7.164 2.367 ( -5.182 4.195 2.622) 7.164 2.619 ( -4.396 0.235 -1.628) 4.694 2.619 ( -4.396 0.235 1.628) 4.694 2.829 ( -4.380 2.418 -3.551) 6.135 2.829 ( -4.380 2.418 3.551) 6.135 2.958 ( -7.021 9.023 -6.411) 13.107 2.958 ( -7.021 9.023 6.411) 13.107 3.116 ( -5.857 1.127 -5.204) 7.915 3.116 ( -5.857 1.127 5.204) 7.915 3.246 ( -0.743 -5.360 -3.126) 6.249 3.246 ( -0.743 -5.360 3.126) 6.249 3.382 ( 0.443 -7.430 -1.725) 7.640 3.382 ( 0.443 -7.430 1.725) 7.640 3.598 ( -2.781 -3.880 -5.505) 7.286 3.598 ( -2.781 -3.880 5.505) 7.286 3.906 ( -2.919 -1.772 -5.201) 6.222 3.906 ( -2.919 -1.772 5.201) 6.222 4.005 ( -3.649 -5.714 -9.919) 12.015 4.005 ( -3.649 -5.714 9.919) 12.015 4.357 ( 2.462 -4.245 -5.304) 7.226 4.357 ( 2.462 -4.245 5.304) 7.226 4.555 ( 0.433 -0.796 -3.990) 4.091 4.555 ( 0.433 -0.796 3.990) 4.091 5.031 ( 6.336 -0.709 -3.054) 7.069 5.031 ( 6.336 -0.709 3.054) 7.069 5.197 ( -5.412 -1.843 -0.758) 5.768 5.197 ( -5.412 -1.843 0.758) 5.768 5.447 ( -7.977 -1.426 -1.888) 8.320 5.447 ( -7.977 -1.426 1.888) 8.320 5.833 ( 1.872 0.988 -2.418) 3.214 5.833 ( 1.872 0.988 2.418) 3.214 6.122 ( -5.802 6.204 -1.412) 8.610 6.122 ( -5.802 6.204 1.412) 8.610 6.551 ( -5.009 0.016 -8.465) 9.835 6.551 ( -5.009 0.016 8.465) 9.835 6.679 ( -1.620 2.860 -18.614) 18.902 6.679 ( -1.620 2.860 18.614) 18.902 7.654 ( 12.452 -4.488 -2.284) 13.431 7.654 ( 12.452 -4.488 2.284) 13.431 8.064 ( -9.827 -3.051 -3.896) 11.003 8.064 ( -9.827 -3.051 3.896) 11.003 8.212 ( 8.958 -2.815 -9.897) 13.642 8.212 ( 8.958 -2.815 9.897) 13.642 8.650 ( 1.079 -1.277 -5.925) 6.157 8.650 ( 1.079 -1.277 5.925) 6.157 8.879 ( -7.856 -4.601 -2.819) 9.531 8.879 ( -7.856 -4.601 2.819) 9.531 9.221 ( 4.681 0.913 -5.810) 7.516 9.221 ( 4.681 0.913 5.810) 7.516 9.651 ( -8.941 -2.027 -9.363) 13.104 9.651 ( -8.941 -2.027 9.363) 13.104 10.227 ( 0.955 2.584 -9.270) 9.670 10.227 ( 0.955 2.584 9.270) 9.670 10.598 ( -9.380 0.487 -10.009) 13.726 10.598 ( -9.380 0.487 10.009) 13.726 11.114 ( 5.754 1.389 -5.878) 8.342 11.114 ( 5.754 1.389 5.878) 8.342 11.415 ( -8.548 0.943 -5.649) 10.290 11.415 ( -8.548 0.943 5.649) 10.290 11.696 ( 5.115 -2.170 -7.655) 9.459 11.696 ( 5.115 -2.170 7.655) 9.459 12.609 ( 7.970 -2.181 -15.122) 17.233 12.609 ( 7.970 -2.181 15.122) 17.233 13.081 ( -12.798 -0.727 -0.820) 12.845 13.081 ( -12.798 -0.727 0.820) 12.845 13.549 ( 3.722 5.518 -8.043) 10.440 13.549 ( 3.722 5.518 8.043) 10.440 13.954 ( -7.286 1.027 -6.679) 9.937 13.954 ( -7.286 1.027 6.679) 9.937 14.746 ( 1.040 -5.462 -3.407) 6.521 14.746 ( 1.040 -5.462 3.407) 6.521 15.564 ( 4.698 -0.761 -12.672) 13.537 15.564 ( 4.698 -0.761 12.672) 13.537 16.341 ( 4.968 -2.061 -0.877) 5.450 16.341 ( 4.968 -2.061 0.877) 5.450 17.025 ( 0.836 0.356 -0.179) 0.926 17.025 ( 0.836 0.356 0.179) 0.926 18.359 ( -0.985 1.650 -3.092) 3.640 18.359 ( -0.985 1.650 3.092) 3.640 19.347 ( 18.421 7.962 -6.382) 21.059 19.347 ( 18.421 7.962 6.382) 21.059 20.224 ( -26.278 2.222 -7.188) 27.334 20.224 ( -26.278 2.222 7.188) 27.334 22.558 ( 6.501 -3.730 -3.373) 8.219 22.558 ( 6.501 -3.730 3.373) 8.219 ======================= Grid point 220 (69/75) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.000 11.571 -8.688) 14.469 0.962 ( 0.000 11.571 8.688) 14.469 1.057 ( 0.000 13.227 -14.165) 19.380 1.057 ( 0.000 13.227 14.165) 19.380 1.528 ( -0.000 -2.811 -6.449) 7.035 1.528 ( -0.000 -2.811 6.449) 7.035 1.689 ( -0.000 -2.255 -1.838) 2.909 1.689 ( -0.000 -2.255 1.838) 2.909 1.830 ( 0.000 0.631 -5.620) 5.656 1.830 ( 0.000 0.631 5.620) 5.656 1.916 ( -0.000 -4.598 -2.252) 5.119 1.916 ( -0.000 -4.598 2.252) 5.119 2.164 ( 0.000 17.074 -13.154) 21.554 2.164 ( 0.000 17.074 13.154) 21.554 2.186 ( 0.000 4.880 -5.638) 7.457 2.186 ( 0.000 4.880 5.638) 7.457 2.294 ( 0.000 1.341 -7.980) 8.092 2.294 ( 0.000 1.341 7.980) 8.092 2.536 ( -0.000 -0.862 -3.967) 4.059 2.536 ( -0.000 -0.862 3.967) 4.059 2.741 ( 0.000 7.062 -9.894) 12.156 2.741 ( 0.000 7.062 9.894) 12.156 2.935 ( -0.000 -3.479 -0.271) 3.489 2.935 ( -0.000 -3.479 0.271) 3.489 3.017 ( 0.000 2.758 -8.913) 9.329 3.017 ( 0.000 2.758 8.913) 9.329 3.270 ( -0.000 -1.146 -1.886) 2.207 3.270 ( -0.000 -1.146 1.886) 2.207 3.500 ( -0.000 -12.953 -3.924) 13.534 3.500 ( -0.000 -12.953 3.924) 13.534 3.581 ( -0.000 -2.368 -5.496) 5.985 3.581 ( -0.000 -2.368 5.496) 5.985 3.900 ( -0.000 -0.429 -7.897) 7.908 3.900 ( -0.000 -0.429 7.897) 7.908 4.008 ( -0.000 -6.599 -11.165) 12.970 4.008 ( -0.000 -6.599 11.165) 12.970 4.401 ( -0.000 -0.429 -5.978) 5.993 4.401 ( -0.000 -0.429 5.978) 5.993 4.573 ( -0.000 -2.313 -5.705) 6.156 4.573 ( -0.000 -2.313 5.705) 6.156 5.139 ( 0.000 0.189 -3.860) 3.865 5.139 ( 0.000 0.189 3.860) 3.865 5.147 ( -0.000 -1.558 -0.337) 1.594 5.147 ( -0.000 -1.558 0.337) 1.594 5.354 ( -0.000 -1.667 -1.585) 2.301 5.354 ( -0.000 -1.667 1.585) 2.301 5.855 ( 0.000 0.150 -2.211) 2.216 5.855 ( 0.000 0.150 2.211) 2.216 5.995 ( 0.000 7.763 -1.100) 7.841 5.995 ( 0.000 7.763 1.100) 7.841 6.495 ( 0.000 0.003 -12.445) 12.445 6.495 ( 0.000 0.003 12.445) 12.445 6.642 ( 0.000 3.302 -21.451) 21.704 6.642 ( 0.000 3.302 21.451) 21.704 7.881 ( -0.000 -0.551 -1.013) 1.154 7.881 ( -0.000 -0.551 1.013) 1.154 7.924 ( -0.000 -7.977 -3.982) 8.916 7.924 ( -0.000 -7.977 3.982) 8.916 8.370 ( -0.000 -6.769 -15.636) 17.038 8.370 ( -0.000 -6.769 15.636) 17.038 8.652 ( 0.000 1.538 -10.383) 10.496 8.652 ( 0.000 1.538 10.383) 10.496 8.846 ( -0.000 -7.852 -4.573) 9.086 8.846 ( -0.000 -7.852 4.573) 9.086 9.285 ( -0.000 -1.077 -5.454) 5.559 9.285 ( -0.000 -1.077 5.454) 5.559 9.552 ( -0.000 -0.472 -9.053) 9.065 9.552 ( -0.000 -0.472 9.053) 9.065 10.216 ( 0.000 3.235 -10.169) 10.671 10.216 ( 0.000 3.235 10.169) 10.671 10.503 ( 0.000 0.094 -9.722) 9.722 10.503 ( 0.000 0.094 9.722) 9.722 11.224 ( 0.000 5.206 -15.417) 16.272 11.224 ( 0.000 5.206 15.417) 16.272 11.239 ( -0.000 -0.240 -3.481) 3.490 11.239 ( -0.000 -0.240 3.481) 3.490 11.765 ( 0.000 1.393 -9.201) 9.306 11.765 ( 0.000 1.393 9.201) 9.306 12.709 ( -0.000 -1.907 -13.659) 13.791 12.709 ( -0.000 -1.907 13.659) 13.791 12.967 ( -0.000 -4.555 -0.881) 4.639 12.967 ( -0.000 -4.555 0.881) 4.639 13.569 ( 0.000 4.223 -0.685) 4.278 13.569 ( 0.000 4.223 0.685) 4.278 13.848 ( 0.000 1.321 -17.522) 17.572 13.848 ( 0.000 1.321 17.522) 17.572 14.799 ( -0.000 -4.643 -4.175) 6.245 14.799 ( -0.000 -4.643 4.175) 6.245 15.634 ( -0.000 -3.561 -13.247) 13.717 15.634 ( -0.000 -3.561 13.247) 13.717 16.420 ( -0.000 -4.683 -1.838) 5.031 16.420 ( -0.000 -4.683 1.838) 5.031 17.030 ( 0.000 0.381 -0.435) 0.578 17.030 ( 0.000 0.381 0.435) 0.578 18.335 ( 0.000 1.821 -2.711) 3.266 18.335 ( 0.000 1.821 2.711) 3.266 19.576 ( 0.000 17.396 -16.147) 23.735 19.576 ( 0.000 17.396 16.147) 23.735 19.795 ( 0.000 0.110 -0.038) 0.116 19.795 ( 0.000 0.110 0.038) 0.116 22.666 ( -0.000 -5.913 -3.556) 6.900 22.666 ( -0.000 -5.913 3.556) 6.900 ======================= Grid point 230 (70/75) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -0.997 -0.000 -0.198) 1.017 1.530 ( -0.997 -0.000 0.198) 1.017 1.658 ( 1.490 0.000 -2.041) 2.527 1.658 ( 1.490 0.000 2.041) 2.527 1.693 ( -5.561 -0.000 -8.019) 9.758 1.693 ( -5.561 -0.000 8.019) 9.758 1.814 ( 1.108 0.000 -2.490) 2.726 1.814 ( 1.108 0.000 2.490) 2.726 1.969 ( -1.391 -0.000 -5.935) 6.096 1.969 ( -1.391 -0.000 5.935) 6.096 2.137 ( -2.858 -0.000 -3.884) 4.822 2.137 ( -2.858 -0.000 3.884) 4.822 2.257 ( -2.232 -0.000 -2.615) 3.438 2.257 ( -2.232 -0.000 2.615) 3.438 2.349 ( 1.226 0.000 -5.621) 5.753 2.349 ( 1.226 0.000 5.621) 5.753 2.495 ( -1.117 -0.000 -6.023) 6.126 2.495 ( -1.117 -0.000 6.023) 6.126 2.702 ( 2.662 0.000 -2.774) 3.844 2.702 ( 2.662 0.000 2.774) 3.844 2.908 ( 4.075 0.000 -2.660) 4.866 2.908 ( 4.075 0.000 2.660) 4.866 3.159 ( -7.914 -0.000 -4.885) 9.300 3.159 ( -7.914 -0.000 4.885) 9.300 3.261 ( -4.359 -0.000 -0.496) 4.387 3.261 ( -4.359 -0.000 0.496) 4.387 3.442 ( -2.545 -0.000 -3.249) 4.127 3.442 ( -2.545 -0.000 3.249) 4.127 3.740 ( -9.674 -0.000 -5.836) 11.298 3.740 ( -9.674 -0.000 5.836) 11.298 3.905 ( -3.324 -0.000 -3.350) 4.719 3.905 ( -3.324 -0.000 3.350) 4.719 3.932 ( -0.017 -0.000 -3.183) 3.183 3.932 ( -0.017 -0.000 3.183) 3.183 4.105 ( -13.887 -0.000 -7.047) 15.573 4.105 ( -13.887 -0.000 7.047) 15.573 4.335 ( -13.823 -0.000 -3.597) 14.283 4.335 ( -13.823 -0.000 3.597) 14.283 4.592 ( -1.800 -0.000 -3.935) 4.327 4.592 ( -1.800 -0.000 3.935) 4.327 4.947 ( -0.441 -0.000 -0.188) 0.479 4.947 ( -0.441 -0.000 0.188) 0.479 5.280 ( 0.872 0.000 -4.416) 4.502 5.280 ( 0.872 0.000 4.416) 4.502 5.705 ( -8.643 -0.000 -0.003) 8.643 5.705 ( -8.643 -0.000 0.003) 8.643 5.898 ( -2.189 -0.000 -2.922) 3.651 5.898 ( -2.189 -0.000 2.922) 3.651 6.262 ( 4.095 0.000 -5.347) 6.735 6.262 ( 4.095 0.000 5.347) 6.735 6.695 ( -3.392 -0.000 -8.438) 9.094 6.695 ( -3.392 -0.000 8.438) 9.094 6.807 ( 2.958 0.000 -7.098) 7.689 6.807 ( 2.958 0.000 7.098) 7.689 7.234 ( 2.808 0.000 -3.251) 4.296 7.234 ( 2.808 0.000 3.251) 4.296 7.861 ( 5.230 0.000 -0.365) 5.243 7.861 ( 5.230 0.000 0.365) 5.243 8.394 ( -7.833 -0.000 -3.380) 8.531 8.394 ( -7.833 -0.000 3.380) 8.531 8.580 ( 0.123 0.000 -0.798) 0.807 8.580 ( 0.123 0.000 0.798) 0.807 8.968 ( 3.421 0.000 -2.374) 4.164 8.968 ( 3.421 0.000 2.374) 4.164 9.257 ( -6.960 -0.000 -6.179) 9.307 9.257 ( -6.960 -0.000 6.179) 9.307 9.905 ( -4.840 -0.000 -11.106) 12.115 9.905 ( -4.840 -0.000 11.106) 12.115 10.312 ( -2.971 -0.000 -11.533) 11.909 10.312 ( -2.971 -0.000 11.533) 11.909 10.820 ( 0.744 0.000 -11.299) 11.324 10.820 ( 0.744 0.000 11.299) 11.324 11.100 ( 2.794 0.000 -1.044) 2.982 11.100 ( 2.794 0.000 1.044) 2.982 11.453 ( -11.490 -0.000 -2.389) 11.736 11.453 ( -11.490 -0.000 2.389) 11.736 11.879 ( -8.954 -0.000 -1.283) 9.045 11.879 ( -8.954 -0.000 1.283) 9.045 12.171 ( 10.748 0.000 -11.303) 15.597 12.171 ( 10.748 0.000 11.303) 15.597 13.317 ( 9.147 0.000 -14.661) 17.281 13.317 ( 9.147 0.000 14.661) 17.281 13.878 ( -16.969 -0.000 -0.464) 16.975 13.878 ( -16.969 -0.000 0.464) 16.975 14.161 ( -2.413 -0.000 -3.588) 4.323 14.161 ( -2.413 -0.000 3.588) 4.323 14.757 ( -7.683 -0.000 -7.035) 10.418 14.757 ( -7.683 -0.000 7.035) 10.418 15.320 ( 9.634 0.000 -5.735) 11.212 15.320 ( 9.634 0.000 5.735) 11.212 16.070 ( 5.404 0.000 -0.182) 5.407 16.070 ( 5.404 0.000 0.182) 5.407 16.984 ( 1.410 0.000 -0.653) 1.554 16.984 ( 1.410 0.000 0.653) 1.554 18.444 ( -2.304 -0.000 -2.853) 3.667 18.444 ( -2.304 -0.000 2.853) 3.667 18.897 ( 11.829 0.000 -2.783) 12.152 18.897 ( 11.829 0.000 2.783) 12.152 21.150 ( -22.481 -0.000 -1.608) 22.538 21.150 ( -22.481 -0.000 1.608) 22.538 22.156 ( 12.837 0.000 -1.500) 12.924 22.156 ( 12.837 0.000 1.500) 12.924 ======================= Grid point 234 (71/75) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -2.097 3.132 -4.046) 5.530 1.495 ( -2.097 3.132 4.046) 5.530 1.567 ( -6.783 -1.146 -8.745) 11.127 1.567 ( -6.783 -1.146 8.745) 11.127 1.657 ( -2.566 3.589 -1.561) 4.680 1.657 ( -2.566 3.589 1.561) 4.680 1.780 ( -4.403 -0.151 -1.498) 4.653 1.780 ( -4.403 -0.151 1.498) 4.653 1.907 ( -5.531 1.987 -4.251) 7.254 1.907 ( -5.531 1.987 4.251) 7.254 2.045 ( -6.607 -2.192 -4.911) 8.520 2.045 ( -6.607 -2.192 4.911) 8.520 2.236 ( 0.202 0.158 -4.140) 4.148 2.236 ( 0.202 0.158 4.140) 4.148 2.367 ( 1.272 1.131 -3.698) 4.072 2.367 ( 1.272 1.131 3.698) 4.072 2.496 ( 1.311 0.309 -3.355) 3.615 2.496 ( 1.311 0.309 3.355) 3.615 2.733 ( 1.187 6.465 -2.583) 7.062 2.733 ( 1.187 6.465 2.583) 7.062 2.933 ( -2.599 -2.092 -1.394) 3.616 2.933 ( -2.599 -2.092 1.394) 3.616 3.058 ( -4.741 -0.131 -3.460) 5.871 3.058 ( -4.741 -0.131 3.460) 5.871 3.130 ( -7.284 -3.900 -2.182) 8.545 3.130 ( -7.284 -3.900 2.182) 8.545 3.356 ( -9.709 -4.039 -4.875) 11.591 3.356 ( -9.709 -4.039 4.875) 11.591 3.517 ( -12.229 -1.222 -2.360) 12.515 3.517 ( -12.229 -1.222 2.360) 12.515 3.714 ( -8.767 10.294 -3.299) 13.918 3.714 ( -8.767 10.294 3.299) 13.918 3.903 ( -3.587 -2.264 -5.244) 6.745 3.903 ( -3.587 -2.264 5.244) 6.745 3.967 ( -3.828 -4.631 -2.713) 6.592 3.967 ( -3.828 -4.631 2.713) 6.592 4.214 ( -0.562 -1.845 -0.989) 2.168 4.214 ( -0.562 -1.845 0.989) 2.168 4.556 ( -1.320 0.735 -7.730) 7.877 4.556 ( -1.320 0.735 7.730) 7.877 4.952 ( 0.853 -0.735 -0.641) 1.296 4.952 ( 0.853 -0.735 0.641) 1.296 5.263 ( -3.116 -0.041 -2.455) 3.967 5.263 ( -3.116 -0.041 2.455) 3.967 5.545 ( -8.817 -1.776 -2.214) 9.263 5.545 ( -8.817 -1.776 2.214) 9.263 5.861 ( -0.577 1.399 -5.496) 5.701 5.861 ( -0.577 1.399 5.496) 5.701 6.285 ( -1.864 0.536 -2.772) 3.384 6.285 ( -1.864 0.536 2.772) 3.384 6.641 ( -2.973 0.404 -5.960) 6.672 6.641 ( -2.973 0.404 5.960) 6.672 6.778 ( -4.016 0.587 -2.505) 4.770 6.778 ( -4.016 0.587 2.505) 4.770 7.365 ( 10.384 -0.736 -3.630) 11.025 7.365 ( 10.384 -0.736 3.630) 11.025 7.983 ( 7.143 -0.738 -3.193) 7.859 7.983 ( 7.143 -0.738 3.193) 7.859 8.240 ( -8.605 -0.215 -2.746) 9.035 8.240 ( -8.605 -0.215 2.746) 9.035 8.588 ( 0.602 -0.820 -3.180) 3.338 8.588 ( 0.602 -0.820 3.180) 3.338 8.965 ( -5.542 -0.868 -6.910) 8.900 8.965 ( -5.542 -0.868 6.910) 8.900 9.184 ( 0.953 0.627 -2.726) 2.955 9.184 ( 0.953 0.627 2.726) 2.955 9.775 ( -8.663 -0.843 -11.278) 14.247 9.775 ( -8.663 -0.843 11.278) 14.247 10.267 ( -1.240 0.659 -8.953) 9.062 10.267 ( -1.240 0.659 8.953) 9.062 10.786 ( -6.931 -0.776 -12.082) 13.951 10.786 ( -6.931 -0.776 12.082) 13.951 11.084 ( -1.655 0.694 -3.481) 3.917 11.084 ( -1.655 0.694 3.481) 3.917 11.398 ( 4.921 -0.691 -2.352) 5.497 11.398 ( 4.921 -0.691 2.352) 5.497 11.703 ( -9.577 -0.765 -3.535) 10.237 11.703 ( -9.577 -0.765 3.535) 10.237 12.388 ( 11.481 -0.590 -15.180) 19.042 12.388 ( 11.481 -0.590 15.180) 19.042 13.363 ( -8.120 2.046 -8.294) 11.786 13.363 ( -8.120 2.046 8.294) 11.786 13.613 ( -5.504 0.337 -4.050) 6.842 13.613 ( -5.504 0.337 4.050) 6.842 14.101 ( -4.718 0.455 -5.484) 7.249 14.101 ( -4.718 0.455 5.484) 7.249 14.653 ( -2.605 -1.105 -5.210) 5.929 14.653 ( -2.605 -1.105 5.210) 5.929 15.469 ( 6.340 0.177 -10.110) 11.935 15.469 ( 6.340 0.177 10.110) 11.935 16.199 ( 7.448 -0.371 -0.332) 7.464 16.199 ( 7.448 -0.371 0.332) 7.464 17.010 ( 1.352 0.108 -0.433) 1.423 17.010 ( 1.352 0.108 0.433) 1.423 18.408 ( -1.492 0.350 -3.453) 3.778 18.408 ( -1.492 0.350 3.453) 3.778 19.142 ( 15.008 1.349 -3.787) 15.537 19.142 ( 15.008 1.349 3.787) 15.537 20.712 ( -24.407 0.010 -3.037) 24.596 20.712 ( -24.407 0.010 3.037) 24.596 22.364 ( 9.341 -0.525 -1.414) 9.462 22.364 ( 9.341 -0.525 1.414) 9.462 ======================= Grid point 236 (72/75) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -10.466 4.755 -6.223) 13.072 1.349 ( -10.466 4.755 6.223) 13.072 1.436 ( -5.497 8.546 -3.491) 10.744 1.436 ( -5.497 8.546 3.491) 10.744 1.549 ( -3.365 1.094 -2.892) 4.570 1.549 ( -3.365 1.094 2.892) 4.570 1.664 ( -6.644 0.704 -1.950) 6.960 1.664 ( -6.644 0.704 1.950) 6.960 1.811 ( -1.593 -2.092 -2.973) 3.969 1.811 ( -1.593 -2.092 2.973) 3.969 1.932 ( -9.268 -3.883 -3.627) 10.683 1.932 ( -9.268 -3.883 3.627) 10.683 2.256 ( 3.427 3.690 -3.471) 6.116 2.256 ( 3.427 3.690 3.471) 6.116 2.363 ( -0.122 1.924 -1.365) 2.362 2.363 ( -0.122 1.924 1.365) 2.362 2.498 ( 0.940 6.921 -3.097) 7.640 2.498 ( 0.940 6.921 3.097) 7.640 2.631 ( -7.743 3.631 -3.073) 9.088 2.631 ( -7.743 3.631 3.073) 9.088 2.842 ( -2.194 -0.526 -2.170) 3.130 2.842 ( -2.194 -0.526 2.170) 3.130 2.984 ( -4.885 -4.455 -1.634) 6.810 2.984 ( -4.885 -4.455 1.634) 6.810 3.130 ( -0.567 -5.576 -2.668) 6.207 3.130 ( -0.567 -5.576 2.668) 6.207 3.215 ( -6.718 -0.595 -2.335) 7.137 3.215 ( -6.718 -0.595 2.335) 7.137 3.309 ( -6.418 5.036 -3.473) 8.866 3.309 ( -6.418 5.036 3.473) 8.866 3.598 ( 1.124 2.483 -6.889) 7.409 3.598 ( 1.124 2.483 6.889) 7.409 3.861 ( -2.520 -2.734 -6.405) 7.406 3.861 ( -2.520 -2.734 6.405) 7.406 3.937 ( -3.505 -2.560 -8.030) 9.128 3.937 ( -3.505 -2.560 8.030) 9.128 4.271 ( 2.088 -5.445 -8.544) 10.344 4.271 ( 2.088 -5.445 8.544) 10.344 4.546 ( 0.296 -0.412 -7.859) 7.875 4.546 ( 0.296 -0.412 7.859) 7.875 5.002 ( 3.434 -2.326 -1.746) 4.500 5.002 ( 3.434 -2.326 1.746) 4.500 5.181 ( -4.671 -0.201 -0.489) 4.701 5.181 ( -4.671 -0.201 0.489) 4.701 5.407 ( -7.911 -2.525 -1.262) 8.400 5.407 ( -7.911 -2.525 1.262) 8.400 5.864 ( 2.215 2.111 -3.140) 4.385 5.864 ( 2.215 2.111 3.140) 4.385 6.200 ( -4.696 3.106 -1.524) 5.832 6.200 ( -4.696 3.106 1.524) 5.832 6.554 ( -5.290 0.202 -9.066) 10.498 6.554 ( -5.290 0.202 9.066) 10.498 6.721 ( -0.706 1.973 -19.436) 19.549 6.721 ( -0.706 1.973 19.436) 19.549 7.593 ( 11.775 -2.671 -1.296) 12.144 7.593 ( 11.775 -2.671 1.296) 12.144 8.024 ( -8.440 -1.598 -2.388) 8.915 8.024 ( -8.440 -1.598 2.388) 8.915 8.179 ( 5.591 -1.228 -5.393) 7.865 8.179 ( 5.591 -1.228 5.393) 7.865 8.622 ( 2.021 -1.807 -3.527) 4.449 8.622 ( 2.021 -1.807 3.527) 4.449 8.827 ( -8.682 -1.785 -5.965) 10.684 8.827 ( -8.682 -1.785 5.965) 10.684 9.239 ( 4.041 0.935 -7.039) 8.170 9.239 ( 4.041 0.935 7.039) 8.170 9.624 ( -7.735 -1.133 -9.780) 12.521 9.624 ( -7.735 -1.133 9.780) 12.521 10.259 ( 1.020 1.265 -8.120) 8.281 10.259 ( 1.020 1.265 8.120) 8.281 10.606 ( -9.546 0.359 -10.017) 13.841 10.606 ( -9.546 0.359 10.017) 13.841 11.126 ( 5.353 0.182 -5.127) 7.414 11.126 ( 5.353 0.182 5.127) 7.414 11.418 ( -7.138 -0.434 -5.183) 8.832 11.418 ( -7.138 -0.434 5.183) 8.832 11.647 ( 4.162 -2.686 -4.124) 6.446 11.647 ( 4.162 -2.686 4.124) 6.446 12.592 ( 9.822 -0.327 -16.312) 19.043 12.592 ( 9.822 -0.327 16.312) 19.043 13.080 ( -15.635 0.363 -1.277) 15.692 13.080 ( -15.635 0.363 1.277) 15.692 13.616 ( 3.013 2.641 -5.744) 7.003 13.616 ( 3.013 2.641 5.744) 7.003 13.984 ( -5.882 1.998 -7.408) 9.668 13.984 ( -5.882 1.998 7.408) 9.668 14.669 ( 1.170 -3.368 -1.688) 3.945 14.669 ( 1.170 -3.368 1.688) 3.945 15.560 ( 3.648 -0.004 -12.922) 13.427 15.560 ( 3.648 -0.004 12.922) 13.427 16.324 ( 5.064 -0.363 -0.359) 5.090 16.324 ( 5.064 -0.363 0.359) 5.090 17.030 ( 0.804 0.162 -0.213) 0.848 17.030 ( 0.804 0.162 0.213) 0.848 18.381 ( -0.747 0.979 -3.755) 3.952 18.381 ( -0.747 0.979 3.755) 3.952 19.434 ( 18.410 3.016 -5.011) 19.316 19.434 ( 18.410 3.016 5.011) 19.316 20.250 ( -24.619 0.957 -5.305) 25.202 20.250 ( -24.619 0.957 5.305) 25.202 22.511 ( 5.347 -1.902 -2.150) 6.069 22.511 ( 5.347 -1.902 2.150) 6.069 ======================= Grid point 238 (73/75) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 9.097 -3.596) 9.782 1.141 ( 0.000 9.097 3.596) 9.782 1.293 ( 0.000 13.593 -8.673) 16.124 1.293 ( 0.000 13.593 8.673) 16.124 1.489 ( -0.000 -1.255 -5.769) 5.904 1.489 ( -0.000 -1.255 5.769) 5.904 1.647 ( -0.000 -2.800 -3.832) 4.746 1.647 ( -0.000 -2.800 3.832) 4.746 1.824 ( -0.000 -0.498 -2.235) 2.290 1.824 ( -0.000 -0.498 2.235) 2.290 1.836 ( -0.000 -4.700 -2.116) 5.154 1.836 ( -0.000 -4.700 2.116) 5.154 2.275 ( 0.000 5.268 -6.495) 8.362 2.275 ( 0.000 5.268 6.495) 8.362 2.321 ( 0.000 3.466 -4.649) 5.799 2.321 ( 0.000 3.466 4.649) 5.799 2.428 ( 0.000 13.013 -2.747) 13.300 2.428 ( 0.000 13.013 2.747) 13.300 2.514 ( -0.000 -1.493 -4.788) 5.015 2.514 ( -0.000 -1.493 4.788) 5.015 2.881 ( -0.000 -2.786 -0.675) 2.867 2.881 ( -0.000 -2.786 0.675) 2.867 2.896 ( 0.000 5.241 -4.768) 7.086 2.896 ( 0.000 5.241 4.768) 7.086 3.085 ( 0.000 6.821 -1.471) 6.978 3.085 ( 0.000 6.821 1.471) 6.978 3.210 ( -0.000 -2.682 -1.934) 3.306 3.210 ( -0.000 -2.682 1.934) 3.306 3.278 ( -0.000 -12.848 -0.840) 12.875 3.278 ( -0.000 -12.848 0.840) 12.875 3.601 ( 0.000 3.268 -7.740) 8.402 3.601 ( 0.000 3.268 7.740) 8.402 3.887 ( -0.000 -6.864 -8.869) 11.215 3.887 ( -0.000 -6.864 8.869) 11.215 3.894 ( -0.000 -0.327 -7.493) 7.500 3.894 ( -0.000 -0.327 7.493) 7.500 4.343 ( -0.000 -5.643 -8.681) 10.354 4.343 ( -0.000 -5.643 8.681) 10.354 4.556 ( -0.000 -0.568 -5.741) 5.769 4.556 ( -0.000 -0.568 5.741) 5.769 5.091 ( -0.000 -4.945 -4.171) 6.469 5.091 ( -0.000 -4.945 4.171) 6.469 5.132 ( -0.000 -0.280 -1.353) 1.381 5.132 ( -0.000 -0.280 1.353) 1.381 5.327 ( -0.000 -1.460 -1.011) 1.776 5.327 ( -0.000 -1.460 1.011) 1.776 5.877 ( 0.000 2.134 -2.086) 2.984 5.877 ( 0.000 2.134 2.086) 2.984 6.107 ( 0.000 5.441 -2.085) 5.827 6.107 ( 0.000 5.441 2.085) 5.827 6.495 ( 0.000 0.041 -12.373) 12.373 6.495 ( 0.000 0.041 12.373) 12.373 6.697 ( 0.000 3.051 -22.577) 22.782 6.697 ( 0.000 3.051 22.577) 22.782 7.807 ( -0.000 -5.762 -1.619) 5.985 7.807 ( -0.000 -5.762 1.619) 5.985 7.874 ( -0.000 -0.277 -0.728) 0.779 7.874 ( -0.000 -0.277 0.728) 0.779 8.279 ( -0.000 -3.974 -10.918) 11.619 8.279 ( -0.000 -3.974 10.918) 11.619 8.676 ( 0.000 1.210 -9.677) 9.752 8.676 ( 0.000 1.210 9.677) 9.752 8.735 ( -0.000 -5.666 -2.912) 6.371 8.735 ( -0.000 -5.666 2.912) 6.371 9.282 ( 0.000 0.353 -7.620) 7.629 9.282 ( 0.000 0.353 7.620) 7.629 9.544 ( -0.000 -0.420 -8.792) 8.802 9.544 ( -0.000 -0.420 8.792) 8.802 10.261 ( 0.000 2.143 -8.688) 8.949 10.261 ( 0.000 2.143 8.688) 8.949 10.504 ( 0.000 0.091 -9.916) 9.916 10.504 ( 0.000 0.091 9.916) 9.916 11.235 ( -0.000 -0.218 -3.354) 3.361 11.235 ( -0.000 -0.218 3.354) 3.361 11.275 ( 0.000 1.373 -16.151) 16.209 11.275 ( 0.000 1.373 16.151) 16.209 11.736 ( -0.000 -3.592 -6.445) 7.378 11.736 ( -0.000 -3.592 6.445) 7.378 12.715 ( 0.000 1.916 -19.181) 19.277 12.715 ( 0.000 1.916 19.181) 19.277 12.900 ( -0.000 -3.310 -0.879) 3.424 12.900 ( -0.000 -3.310 0.879) 3.424 13.631 ( 0.000 3.023 -0.706) 3.105 13.631 ( 0.000 3.023 0.706) 3.105 13.892 ( 0.000 3.354 -13.950) 14.348 13.892 ( 0.000 3.354 13.950) 14.348 14.717 ( -0.000 -4.539 -2.120) 5.009 14.717 ( -0.000 -4.539 2.120) 5.009 15.601 ( -0.000 -0.911 -14.095) 14.124 15.601 ( -0.000 -0.911 14.095) 14.124 16.378 ( -0.000 -0.960 -1.005) 1.390 16.378 ( -0.000 -0.960 1.005) 1.390 17.036 ( 0.000 0.247 -0.020) 0.248 17.036 ( 0.000 0.247 0.020) 0.248 18.364 ( 0.000 1.521 -3.626) 3.932 18.364 ( 0.000 1.521 3.626) 3.932 19.777 ( 0.000 7.590 -13.049) 15.096 19.777 ( 0.000 7.590 13.049) 15.096 19.797 ( 0.000 0.097 -0.047) 0.108 19.797 ( 0.000 0.097 0.047) 0.108 22.587 ( -0.000 -3.578 -3.045) 4.698 22.587 ( -0.000 -3.578 3.045) 4.698 ======================= Grid point 252 (74/75) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -11.144 -0.000 -4.550) 12.037 1.380 ( -11.144 -0.000 4.550) 12.037 1.509 ( 0.639 0.000 -2.316) 2.403 1.509 ( 0.639 0.000 2.316) 2.403 1.568 ( -4.713 -0.000 -3.072) 5.626 1.568 ( -4.713 -0.000 3.072) 5.626 1.687 ( -13.413 -0.000 -1.117) 13.460 1.687 ( -13.413 -0.000 1.117) 13.460 1.777 ( -0.345 -0.000 -1.080) 1.134 1.777 ( -0.345 -0.000 1.080) 1.134 1.899 ( -7.405 -0.000 -4.250) 8.538 1.899 ( -7.405 -0.000 4.250) 8.538 2.291 ( 4.638 0.000 -2.740) 5.387 2.291 ( 4.638 0.000 2.740) 5.387 2.379 ( -1.117 -0.000 -1.714) 2.046 2.379 ( -1.117 -0.000 1.714) 2.046 2.536 ( 1.525 0.000 -3.513) 3.830 2.536 ( 1.525 0.000 3.513) 3.830 2.727 ( -9.680 -0.000 -2.395) 9.972 2.727 ( -9.680 -0.000 2.395) 9.972 2.804 ( 0.205 0.000 -2.111) 2.121 2.804 ( 0.205 0.000 2.111) 2.121 2.934 ( -4.361 -0.000 -0.867) 4.446 2.934 ( -4.361 -0.000 0.867) 4.446 3.092 ( -3.022 -0.000 -1.300) 3.290 3.092 ( -3.022 -0.000 1.300) 3.290 3.158 ( -5.358 -0.000 -6.563) 8.473 3.158 ( -5.358 -0.000 6.563) 8.473 3.387 ( -2.572 -0.000 -0.776) 2.687 3.387 ( -2.572 -0.000 0.776) 2.687 3.638 ( -3.593 -0.000 -0.612) 3.645 3.638 ( -3.593 -0.000 0.612) 3.645 3.841 ( -1.501 -0.000 -7.810) 7.953 3.841 ( -1.501 -0.000 7.810) 7.953 3.910 ( -1.667 -0.000 -6.041) 6.267 3.910 ( -1.667 -0.000 6.041) 6.267 4.214 ( 1.000 0.000 -10.351) 10.399 4.214 ( 1.000 0.000 10.351) 10.399 4.543 ( -0.245 -0.000 -10.045) 10.048 4.543 ( -0.245 -0.000 10.045) 10.048 4.978 ( 2.139 0.000 -0.403) 2.177 4.978 ( 2.139 0.000 0.403) 2.177 5.181 ( -4.553 -0.000 -0.664) 4.601 5.181 ( -4.553 -0.000 0.664) 4.601 5.384 ( -7.182 -0.000 -0.239) 7.186 5.384 ( -7.182 -0.000 0.239) 7.186 5.884 ( 2.081 0.000 -3.551) 4.116 5.884 ( 2.081 0.000 3.551) 4.116 6.225 ( -4.109 -0.000 -0.996) 4.228 6.225 ( -4.109 -0.000 0.996) 4.228 6.556 ( -5.492 -0.000 -9.617) 11.075 6.556 ( -5.492 -0.000 9.617) 11.075 6.738 ( -0.342 -0.000 -19.676) 19.679 6.738 ( -0.342 -0.000 19.676) 19.679 7.570 ( 11.400 0.000 -0.662) 11.419 7.570 ( 11.400 0.000 0.662) 11.419 8.011 ( -7.800 -0.000 -2.286) 8.129 8.011 ( -7.800 -0.000 2.286) 8.129 8.169 ( 4.532 0.000 -3.466) 5.705 8.169 ( 4.532 0.000 3.466) 5.705 8.605 ( 1.867 0.000 -1.887) 2.655 8.605 ( 1.867 0.000 1.887) 2.655 8.814 ( -8.571 -0.000 -7.170) 11.174 8.814 ( -8.571 -0.000 7.170) 11.174 9.247 ( 3.805 0.000 -7.468) 8.381 9.247 ( 3.805 0.000 7.468) 8.381 9.614 ( -7.250 -0.000 -9.891) 12.264 9.614 ( -7.250 -0.000 9.891) 12.264 10.269 ( 1.062 0.000 -7.664) 7.737 10.269 ( 1.062 0.000 7.664) 7.737 10.609 ( -9.517 -0.000 -9.894) 13.729 10.609 ( -9.517 -0.000 9.894) 13.729 11.126 ( 5.144 0.000 -5.000) 7.174 11.126 ( 5.144 0.000 5.000) 7.174 11.412 ( -6.380 -0.000 -3.668) 7.360 11.412 ( -6.380 -0.000 3.668) 7.360 11.624 ( 3.372 0.000 -0.873) 3.483 11.624 ( 3.372 0.000 0.873) 3.483 12.590 ( 10.378 0.000 -16.075) 19.134 12.590 ( 10.378 0.000 16.075) 19.134 13.084 ( -16.571 -0.000 -2.330) 16.734 13.084 ( -16.571 -0.000 2.330) 16.734 13.638 ( 2.877 0.000 -4.647) 5.465 13.638 ( 2.877 0.000 4.647) 5.465 14.003 ( -5.301 -0.000 -8.365) 9.904 14.003 ( -5.301 -0.000 8.365) 9.904 14.641 ( 1.071 0.000 -1.102) 1.537 14.641 ( 1.071 0.000 1.102) 1.537 15.560 ( 3.382 0.000 -12.784) 13.223 15.560 ( 3.382 0.000 12.784) 13.223 16.322 ( 5.229 0.000 -0.267) 5.235 16.322 ( 5.229 0.000 0.267) 5.235 17.031 ( 0.783 0.000 -0.361) 0.863 17.031 ( 0.783 0.000 0.361) 0.863 18.390 ( -0.656 -0.000 -3.985) 4.039 18.390 ( -0.656 -0.000 3.985) 4.039 19.457 ( 18.201 0.000 -4.495) 18.748 19.457 ( 18.201 0.000 4.495) 18.748 20.258 ( -24.053 -0.000 -4.359) 24.444 20.258 ( -24.053 -0.000 4.359) 24.444 22.496 ( 5.003 0.000 -1.168) 5.138 22.496 ( 5.003 0.000 1.168) 5.138 ======================= Grid point 256 (75/75) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.000 2.294 -1.060) 2.528 1.236 ( 0.000 2.294 1.060) 2.528 1.476 ( 0.000 8.140 -7.449) 11.033 1.476 ( 0.000 8.140 7.449) 11.033 1.498 ( 0.000 1.541 -3.746) 4.051 1.498 ( 0.000 1.541 3.746) 4.051 1.589 ( -0.000 -4.348 -5.294) 6.851 1.589 ( -0.000 -4.348 5.294) 6.851 1.772 ( -0.000 -2.542 -1.649) 3.030 1.772 ( -0.000 -2.542 1.649) 3.030 1.824 ( 0.000 0.280 -1.279) 1.310 1.824 ( 0.000 0.280 1.279) 1.310 2.337 ( 0.000 1.682 -3.364) 3.761 2.337 ( 0.000 1.682 3.364) 3.761 2.368 ( 0.000 1.735 -1.698) 2.428 2.368 ( 0.000 1.735 1.698) 2.428 2.503 ( 0.000 0.217 -3.104) 3.112 2.503 ( 0.000 0.217 3.104) 3.112 2.629 ( 0.000 10.131 -2.386) 10.408 2.629 ( 0.000 10.131 2.386) 10.408 2.849 ( -0.000 -0.973 -0.094) 0.978 2.849 ( -0.000 -0.973 0.094) 0.978 2.853 ( -0.000 -6.515 -3.026) 7.183 2.853 ( -0.000 -6.515 3.026) 7.183 3.108 ( -0.000 -1.188 -1.603) 1.995 3.108 ( -0.000 -1.188 1.603) 1.995 3.111 ( -0.000 -5.968 -2.842) 6.610 3.111 ( -0.000 -5.968 2.842) 6.610 3.328 ( 0.000 8.810 -2.783) 9.239 3.328 ( 0.000 8.810 2.783) 9.239 3.620 ( -0.000 -1.048 -6.353) 6.439 3.620 ( -0.000 -1.048 6.353) 6.439 3.828 ( -0.000 -0.235 -6.686) 6.690 3.828 ( -0.000 -0.235 6.686) 6.690 3.889 ( -0.000 -0.148 -6.992) 6.993 3.889 ( -0.000 -0.148 6.992) 6.993 4.246 ( -0.000 -4.591 -13.618) 14.371 4.246 ( -0.000 -4.591 13.618) 14.371 4.545 ( -0.000 -0.534 -10.076) 10.090 4.545 ( -0.000 -0.534 10.076) 10.090 5.018 ( -0.000 -2.811 -2.000) 3.450 5.018 ( -0.000 -2.811 2.000) 3.450 5.132 ( 0.000 0.085 -1.958) 1.959 5.132 ( 0.000 0.085 1.958) 1.959 5.309 ( -0.000 -0.595 -1.372) 1.496 5.309 ( -0.000 -0.595 1.372) 1.496 5.908 ( 0.000 1.162 -1.700) 2.059 5.908 ( 0.000 1.162 1.700) 2.059 6.169 ( 0.000 1.897 -2.971) 3.525 6.169 ( 0.000 1.897 2.971) 3.525 6.496 ( 0.000 0.029 -12.895) 12.895 6.496 ( 0.000 0.029 12.895) 12.895 6.735 ( 0.000 1.269 -22.952) 22.987 6.735 ( 0.000 1.269 22.952) 22.987 7.741 ( -0.000 -2.057 -0.852) 2.227 7.741 ( -0.000 -2.057 0.852) 2.227 7.871 ( -0.000 -0.059 -0.443) 0.447 7.871 ( -0.000 -0.059 0.443) 0.447 8.238 ( -0.000 -1.158 -6.866) 6.963 8.238 ( -0.000 -1.158 6.866) 6.963 8.666 ( -0.000 -2.354 -1.333) 2.705 8.666 ( -0.000 -2.354 1.333) 2.705 8.690 ( 0.000 0.445 -9.261) 9.272 8.690 ( 0.000 0.445 9.261) 9.272 9.289 ( 0.000 0.307 -8.733) 8.739 9.289 ( 0.000 0.307 8.733) 8.739 9.539 ( -0.000 -0.167 -8.619) 8.621 9.539 ( -0.000 -0.167 8.619) 8.621 10.285 ( 0.000 0.748 -8.283) 8.317 10.285 ( 0.000 0.748 8.283) 8.317 10.505 ( 0.000 0.038 -10.042) 10.042 10.505 ( 0.000 0.038 10.042) 10.042 11.232 ( -0.000 -0.088 -3.269) 3.270 11.232 ( -0.000 -0.088 3.269) 3.270 11.282 ( -0.000 -0.094 -15.463) 15.463 11.282 ( -0.000 -0.094 15.463) 15.463 11.686 ( -0.000 -1.769 -3.569) 3.983 11.686 ( -0.000 -1.769 3.569) 3.983 12.745 ( 0.000 1.183 -20.904) 20.938 12.745 ( 0.000 1.183 20.904) 20.938 12.862 ( -0.000 -1.190 -0.880) 1.480 12.862 ( -0.000 -1.190 0.880) 1.480 13.665 ( 0.000 1.078 -0.717) 1.295 13.665 ( 0.000 1.078 0.717) 1.295 13.938 ( 0.000 1.665 -12.498) 12.609 13.938 ( 0.000 1.665 12.498) 12.609 14.663 ( -0.000 -1.763 -0.860) 1.962 14.663 ( -0.000 -1.763 0.860) 1.962 15.593 ( -0.000 -0.164 -13.647) 13.648 15.593 ( -0.000 -0.164 13.647) 13.648 16.373 ( 0.000 0.018 -0.862) 0.862 16.373 ( 0.000 0.018 0.862) 0.862 17.038 ( 0.000 0.059 -0.288) 0.294 17.038 ( 0.000 0.059 0.288) 0.294 18.381 ( 0.000 0.555 -4.109) 4.146 18.381 ( 0.000 0.555 4.109) 4.146 19.798 ( 0.000 0.038 -0.052) 0.065 19.798 ( 0.000 0.038 0.052) 0.065 19.852 ( 0.000 1.994 -10.359) 10.549 19.852 ( 0.000 1.994 10.359) 10.549 22.548 ( -0.000 -1.161 -1.540) 1.929 22.548 ( -0.000 -1.161 1.540) 1.929 =================== 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 3/33048 10.0 97.528 203.295 152.635 0.000 0.000 -0.000 3/33048 20.0 17.283 24.560 17.464 0.000 0.000 -0.000 3/33048 30.0 7.916 9.860 7.020 0.000 0.000 -0.000 3/33048 40.0 5.020 5.899 4.208 0.000 0.000 -0.000 3/33048 50.0 3.704 4.190 3.006 0.000 0.000 -0.000 3/33048 60.0 2.966 3.255 2.361 0.000 0.000 -0.000 3/33048 70.0 2.497 2.668 1.965 0.000 0.000 -0.000 3/33048 80.0 2.172 2.266 1.697 0.000 0.000 -0.000 3/33048 90.0 1.933 1.973 1.506 0.000 0.000 -0.000 3/33048 100.0 1.751 1.751 1.361 0.000 0.000 -0.000 3/33048 110.0 1.606 1.576 1.247 0.000 0.000 -0.000 3/33048 120.0 1.489 1.435 1.154 0.000 0.000 -0.000 3/33048 130.0 1.392 1.319 1.077 0.000 0.000 -0.000 3/33048 140.0 1.311 1.222 1.011 0.000 0.000 -0.000 3/33048 150.0 1.241 1.139 0.955 0.000 0.000 -0.000 3/33048 160.0 1.180 1.067 0.905 0.000 0.000 -0.000 3/33048 170.0 1.127 1.005 0.860 0.000 0.000 -0.000 3/33048 180.0 1.080 0.950 0.821 0.000 0.000 -0.000 3/33048 190.0 1.038 0.901 0.785 0.000 0.000 -0.000 3/33048 200.0 0.999 0.857 0.752 0.000 0.000 -0.000 3/33048 210.0 0.964 0.818 0.722 0.000 0.000 -0.000 3/33048 220.0 0.932 0.782 0.694 0.000 0.000 -0.000 3/33048 230.0 0.903 0.750 0.668 0.000 0.000 -0.000 3/33048 240.0 0.875 0.720 0.645 0.000 0.000 -0.000 3/33048 250.0 0.850 0.692 0.623 0.000 0.000 -0.000 3/33048 260.0 0.825 0.667 0.602 0.000 0.000 -0.000 3/33048 270.0 0.803 0.643 0.583 0.000 0.000 -0.000 3/33048 280.0 0.781 0.621 0.564 0.000 0.000 -0.000 3/33048 290.0 0.761 0.601 0.547 0.000 0.000 -0.000 3/33048 300.0 0.742 0.582 0.531 0.000 0.000 -0.000 3/33048 310.0 0.724 0.564 0.516 0.000 0.000 -0.000 3/33048 320.0 0.706 0.547 0.502 0.000 0.000 -0.000 3/33048 330.0 0.690 0.531 0.488 0.000 0.000 -0.000 3/33048 340.0 0.674 0.516 0.475 0.000 0.000 -0.000 3/33048 350.0 0.659 0.502 0.463 0.000 0.000 -0.000 3/33048 360.0 0.645 0.489 0.451 0.000 0.000 -0.000 3/33048 370.0 0.631 0.476 0.440 0.000 0.000 -0.000 3/33048 380.0 0.617 0.464 0.430 0.000 0.000 -0.000 3/33048 390.0 0.605 0.453 0.420 0.000 0.000 -0.000 3/33048 400.0 0.592 0.442 0.410 0.000 0.000 -0.000 3/33048 410.0 0.580 0.432 0.401 0.000 0.000 -0.000 3/33048 420.0 0.569 0.422 0.392 0.000 0.000 -0.000 3/33048 430.0 0.558 0.412 0.383 0.000 0.000 -0.000 3/33048 440.0 0.547 0.403 0.375 0.000 0.000 -0.000 3/33048 450.0 0.537 0.395 0.368 0.000 0.000 -0.000 3/33048 460.0 0.527 0.386 0.360 0.000 0.000 -0.000 3/33048 470.0 0.518 0.378 0.353 0.000 0.000 -0.000 3/33048 480.0 0.509 0.371 0.346 0.000 0.000 -0.000 3/33048 490.0 0.500 0.363 0.339 0.000 0.000 -0.000 3/33048 500.0 0.491 0.356 0.333 0.000 0.000 -0.000 3/33048 510.0 0.483 0.350 0.327 0.000 0.000 -0.000 3/33048 520.0 0.475 0.343 0.321 0.000 0.000 -0.000 3/33048 530.0 0.467 0.337 0.315 0.000 0.000 -0.000 3/33048 540.0 0.459 0.331 0.310 0.000 0.000 -0.000 3/33048 550.0 0.452 0.325 0.304 0.000 0.000 -0.000 3/33048 560.0 0.445 0.319 0.299 0.000 0.000 -0.000 3/33048 570.0 0.438 0.314 0.294 0.000 0.000 -0.000 3/33048 580.0 0.431 0.308 0.289 0.000 0.000 -0.000 3/33048 590.0 0.425 0.303 0.284 0.000 0.000 -0.000 3/33048 600.0 0.418 0.298 0.280 0.000 0.000 -0.000 3/33048 610.0 0.412 0.294 0.276 0.000 0.000 -0.000 3/33048 620.0 0.406 0.289 0.271 0.000 0.000 -0.000 3/33048 630.0 0.400 0.285 0.267 0.000 0.000 -0.000 3/33048 640.0 0.395 0.280 0.263 0.000 0.000 -0.000 3/33048 650.0 0.389 0.276 0.259 0.000 0.000 -0.000 3/33048 660.0 0.384 0.272 0.255 0.000 0.000 -0.000 3/33048 670.0 0.378 0.268 0.252 0.000 0.000 -0.000 3/33048 680.0 0.373 0.264 0.248 0.000 0.000 -0.000 3/33048 690.0 0.368 0.260 0.245 0.000 0.000 -0.000 3/33048 700.0 0.364 0.257 0.241 0.000 0.000 -0.000 3/33048 710.0 0.359 0.253 0.238 0.000 0.000 -0.000 3/33048 720.0 0.354 0.250 0.235 0.000 0.000 -0.000 3/33048 730.0 0.350 0.246 0.232 0.000 0.000 -0.000 3/33048 740.0 0.345 0.243 0.229 0.000 0.000 -0.000 3/33048 750.0 0.341 0.240 0.226 0.000 0.000 -0.000 3/33048 760.0 0.337 0.237 0.223 0.000 0.000 -0.000 3/33048 770.0 0.333 0.234 0.220 0.000 0.000 -0.000 3/33048 780.0 0.329 0.231 0.217 0.000 0.000 -0.000 3/33048 790.0 0.325 0.228 0.215 0.000 0.000 -0.000 3/33048 800.0 0.321 0.225 0.212 0.000 0.000 -0.000 3/33048 810.0 0.317 0.222 0.209 0.000 0.000 -0.000 3/33048 820.0 0.314 0.220 0.207 0.000 0.000 -0.000 3/33048 830.0 0.310 0.217 0.204 0.000 0.000 -0.000 3/33048 840.0 0.307 0.215 0.202 0.000 0.000 -0.000 3/33048 850.0 0.303 0.212 0.200 0.000 0.000 -0.000 3/33048 860.0 0.300 0.210 0.197 0.000 0.000 -0.000 3/33048 870.0 0.297 0.207 0.195 0.000 0.000 -0.000 3/33048 880.0 0.294 0.205 0.193 0.000 0.000 -0.000 3/33048 890.0 0.290 0.203 0.191 0.000 0.000 -0.000 3/33048 900.0 0.287 0.200 0.189 0.000 0.000 -0.000 3/33048 910.0 0.284 0.198 0.187 0.000 0.000 -0.000 3/33048 920.0 0.281 0.196 0.185 0.000 0.000 -0.000 3/33048 930.0 0.279 0.194 0.183 0.000 0.000 -0.000 3/33048 940.0 0.276 0.192 0.181 0.000 0.000 -0.000 3/33048 950.0 0.273 0.190 0.179 0.000 0.000 -0.000 3/33048 960.0 0.270 0.188 0.177 0.000 0.000 -0.000 3/33048 970.0 0.268 0.186 0.175 0.000 0.000 -0.000 3/33048 980.0 0.265 0.184 0.174 0.000 0.000 -0.000 3/33048 990.0 0.262 0.182 0.172 0.000 0.000 -0.000 3/33048 1000.0 0.260 0.181 0.170 0.000 0.000 -0.000 3/33048 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:50:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|