----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:26:04]------------------------- 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: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.119693313709260 -4.295408845000000 0.000000000000000 b 4.119693313709260 4.295408845000000 0.000000000000000 c -3.188765302850727 0.000000000000000 11.719516044666067 Atomic positions (fractional): *1 Na 0.94807190553167 0.24012557734270 0.58722729636278 22.990 *2 Na 0.97716505207380 0.52984589077833 0.86907437300826 22.990 *3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *4 Na 0.44088988470618 0.55911011529382 0.75000000000000 22.990 5 Na 0.24012557734270 0.94807190553167 0.08722729636278 22.990 6 Na 0.52984589077833 0.97716505207380 0.36907437300826 22.990 7 Na 0.47015410922167 0.02283494792620 0.63092562699174 22.990 8 Na 0.75987442265730 0.05192809446833 0.91277270363722 22.990 9 Na 0.55911011529382 0.44088988470618 0.25000000000000 22.990 10 Na 0.02283494792620 0.47015410922167 0.13092562699174 22.990 11 Na 0.05192809446833 0.75987442265730 0.41277270363722 22.990 12 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *13 Ti 0.23458444188360 0.07014573116810 0.86142276204874 47.867 14 Ti 0.92985426883190 0.76541555811640 0.63857723795126 47.867 15 Ti 0.07014573116810 0.23458444188360 0.36142276204874 47.867 16 Ti 0.76541555811640 0.92985426883190 0.13857723795126 47.867 *17 O 0.30795995274707 0.79600545383391 0.89591784277942 15.999 18 O 0.79600545383391 0.30795995274707 0.39591784277942 15.999 *19 O 0.77886535056057 0.53804717065825 0.68246293367967 15.999 *20 O 0.15203891416138 0.25363555345719 0.98099869699462 15.999 *21 O 0.96329276363772 0.03670723636227 0.75000000000000 15.999 22 O 0.74636444654281 0.84796108583862 0.51900130300538 15.999 23 O 0.53804717065825 0.77886535056057 0.18246293367967 15.999 24 O 0.46195282934175 0.22113464943943 0.81753706632033 15.999 25 O 0.25363555345719 0.15203891416138 0.48099869699462 15.999 26 O 0.03670723636228 0.96329276363772 0.25000000000000 15.999 27 O 0.84796108583862 0.74636444654281 0.01900130300538 15.999 28 O 0.22113464943943 0.46195282934175 0.31753706632033 15.999 29 O 0.20399454616609 0.69204004725293 0.60408215722058 15.999 30 O 0.69204004725293 0.20399454616609 0.10408215722058 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.239386627418520 0.000000000000000 0.000000000000000 b 0.000000000000000 8.590817690000000 0.000000000000000 c -3.188765302850727 0.000000000000000 11.719516044666067 Atomic positions (fractional): *1 Na 0.59409874143719 0.64602683590552 0.58722729636278 22.990 > 1 *2 Na 0.75350547142607 0.77634041935227 0.86907437300826 22.990 > 2 *3 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 3 *4 Na 0.50000000000000 0.05911011529382 0.75000000000000 22.990 > 4 5 Na 0.59409874143719 0.35397316409448 0.08722729636278 22.990 > 5 6 Na 0.75350547142607 0.22365958064774 0.36907437300826 22.990 > 6 7 Na 0.24649452857393 0.77634041935227 0.63092562699174 22.990 > 7 8 Na 0.40590125856282 0.64602683590552 0.91277270363722 22.990 > 8 9 Na 0.50000000000000 0.94088988470618 0.25000000000000 22.990 > 9 10 Na 0.24649452857393 0.22365958064774 0.13092562699174 22.990 > 10 11 Na 0.40590125856282 0.35397316409448 0.41277270363722 22.990 > 11 12 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 12 13 Na 0.09409874143718 0.14602683590551 0.58722729636278 22.990 > 1 14 Na 0.25350547142607 0.27634041935226 0.86907437300826 22.990 > 2 15 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 3 16 Na 0.00000000000000 0.55911011529382 0.75000000000000 22.990 > 4 17 Na 0.09409874143718 0.85397316409448 0.08722729636278 22.990 > 5 18 Na 0.25350547142607 0.72365958064773 0.36907437300826 22.990 > 6 19 Na 0.74649452857393 0.27634041935226 0.63092562699174 22.990 > 7 20 Na 0.90590125856281 0.14602683590551 0.91277270363722 22.990 > 8 21 Na 0.00000000000000 0.44088988470618 0.25000000000000 22.990 > 9 22 Na 0.74649452857393 0.72365958064773 0.13092562699174 22.990 > 10 23 Na 0.90590125856281 0.85397316409448 0.41277270363722 22.990 > 11 24 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 12 *25 Ti 0.15236508652585 0.91778064464225 0.86142276204874 47.867 > 13 26 Ti 0.84763491347415 0.91778064464225 0.63857723795126 47.867 > 14 27 Ti 0.15236508652585 0.08221935535775 0.36142276204874 47.867 > 15 28 Ti 0.84763491347415 0.08221935535775 0.13857723795126 47.867 > 16 29 Ti 0.65236508652585 0.41778064464225 0.86142276204874 47.867 > 13 30 Ti 0.34763491347415 0.41778064464225 0.63857723795126 47.867 > 14 31 Ti 0.65236508652585 0.58221935535775 0.36142276204874 47.867 > 15 32 Ti 0.34763491347415 0.58221935535775 0.13857723795126 47.867 > 16 *33 O 0.55198270329049 0.24402275054342 0.89591784277942 15.999 > 17 34 O 0.55198270329049 0.75597724945658 0.39591784277942 15.999 > 18 *35 O 0.65845626060941 0.87959091004884 0.68246293367967 15.999 > 19 *36 O 0.20283723380929 0.05079831964790 0.98099869699462 15.999 > 20 *37 O 0.50000000000000 0.53670723636228 0.75000000000000 15.999 > 21 38 O 0.79716276619071 0.05079831964790 0.51900130300538 15.999 > 22 39 O 0.65845626060941 0.12040908995116 0.18246293367967 15.999 > 23 40 O 0.34154373939059 0.87959091004884 0.81753706632033 15.999 > 24 41 O 0.20283723380929 0.94920168035210 0.48099869699462 15.999 > 25 42 O 0.50000000000000 0.46329276363772 0.25000000000000 15.999 > 26 43 O 0.79716276619071 0.94920168035210 0.01900130300538 15.999 > 27 44 O 0.34154373939059 0.12040908995116 0.31753706632033 15.999 > 28 45 O 0.44801729670951 0.24402275054342 0.60408215722058 15.999 > 29 46 O 0.44801729670951 0.75597724945658 0.10408215722058 15.999 > 30 47 O 0.05198270329049 0.74402275054342 0.89591784277942 15.999 > 17 48 O 0.05198270329049 0.25597724945658 0.39591784277942 15.999 > 18 49 O 0.15845626060941 0.37959091004884 0.68246293367967 15.999 > 19 50 O 0.70283723380929 0.55079831964790 0.98099869699462 15.999 > 20 51 O 0.00000000000000 0.03670723636227 0.75000000000000 15.999 > 21 52 O 0.29716276619072 0.55079831964790 0.51900130300538 15.999 > 22 53 O 0.15845626060941 0.62040908995116 0.18246293367967 15.999 > 23 54 O 0.84154373939059 0.37959091004884 0.81753706632033 15.999 > 24 55 O 0.70283723380929 0.44920168035210 0.48099869699462 15.999 > 25 56 O 0.00000000000000 0.96329276363772 0.25000000000000 15.999 > 26 57 O 0.29716276619072 0.44920168035210 0.01900130300538 15.999 > 27 58 O 0.84154373939059 0.62040908995116 0.31753706632033 15.999 > 28 59 O 0.94801729670951 0.74402275054342 0.60408215722058 15.999 > 29 60 O 0.94801729670951 0.25597724945658 0.10408215722058 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.478773254837041 0.000000000000000 0.000000000000000 b 0.000000000000000 8.590817690000000 0.000000000000000 c -3.188765302850727 0.000000000000000 11.719516044666067 Atomic positions (fractional): *1 Na 0.29704937071859 0.64602683590552 0.58722729636278 22.990 > 1 2 Na 0.79704937071859 0.64602683590552 0.58722729636278 22.990 > 1 *3 Na 0.37675273571303 0.77634041935227 0.86907437300826 22.990 > 2 4 Na 0.87675273571303 0.77634041935227 0.86907437300826 22.990 > 2 *5 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 3 6 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 3 *7 Na 0.25000000000000 0.05911011529382 0.75000000000000 22.990 > 4 8 Na 0.75000000000000 0.05911011529382 0.75000000000000 22.990 > 4 9 Na 0.29704937071859 0.35397316409448 0.08722729636278 22.990 > 5 10 Na 0.79704937071859 0.35397316409448 0.08722729636278 22.990 > 5 11 Na 0.37675273571303 0.22365958064774 0.36907437300826 22.990 > 6 12 Na 0.87675273571303 0.22365958064774 0.36907437300826 22.990 > 6 13 Na 0.12324726428697 0.77634041935227 0.63092562699174 22.990 > 7 14 Na 0.62324726428697 0.77634041935227 0.63092562699174 22.990 > 7 15 Na 0.20295062928141 0.64602683590552 0.91277270363722 22.990 > 8 16 Na 0.70295062928141 0.64602683590552 0.91277270363722 22.990 > 8 17 Na 0.25000000000000 0.94088988470618 0.25000000000000 22.990 > 9 18 Na 0.75000000000000 0.94088988470618 0.25000000000000 22.990 > 9 19 Na 0.12324726428697 0.22365958064774 0.13092562699174 22.990 > 10 20 Na 0.62324726428697 0.22365958064774 0.13092562699174 22.990 > 10 21 Na 0.20295062928141 0.35397316409448 0.41277270363722 22.990 > 11 22 Na 0.70295062928141 0.35397316409448 0.41277270363722 22.990 > 11 23 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 12 24 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 12 25 Na 0.04704937071859 0.14602683590551 0.58722729636278 22.990 > 1 26 Na 0.54704937071859 0.14602683590551 0.58722729636278 22.990 > 1 27 Na 0.12675273571303 0.27634041935226 0.86907437300826 22.990 > 2 28 Na 0.62675273571303 0.27634041935226 0.86907437300826 22.990 > 2 29 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 3 30 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 3 31 Na 0.00000000000000 0.55911011529382 0.75000000000000 22.990 > 4 32 Na 0.50000000000000 0.55911011529382 0.75000000000000 22.990 > 4 33 Na 0.04704937071859 0.85397316409448 0.08722729636278 22.990 > 5 34 Na 0.54704937071859 0.85397316409448 0.08722729636278 22.990 > 5 35 Na 0.12675273571303 0.72365958064773 0.36907437300826 22.990 > 6 36 Na 0.62675273571303 0.72365958064773 0.36907437300826 22.990 > 6 37 Na 0.37324726428697 0.27634041935226 0.63092562699174 22.990 > 7 38 Na 0.87324726428697 0.27634041935226 0.63092562699174 22.990 > 7 39 Na 0.45295062928141 0.14602683590551 0.91277270363722 22.990 > 8 40 Na 0.95295062928141 0.14602683590551 0.91277270363722 22.990 > 8 41 Na 0.00000000000000 0.44088988470618 0.25000000000000 22.990 > 9 42 Na 0.50000000000000 0.44088988470618 0.25000000000000 22.990 > 9 43 Na 0.37324726428697 0.72365958064773 0.13092562699174 22.990 > 10 44 Na 0.87324726428697 0.72365958064773 0.13092562699174 22.990 > 10 45 Na 0.45295062928141 0.85397316409448 0.41277270363722 22.990 > 11 46 Na 0.95295062928141 0.85397316409448 0.41277270363722 22.990 > 11 47 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 12 48 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 12 *49 Ti 0.07618254326293 0.91778064464225 0.86142276204874 47.867 > 13 50 Ti 0.57618254326293 0.91778064464225 0.86142276204874 47.867 > 13 51 Ti 0.42381745673707 0.91778064464225 0.63857723795126 47.867 > 14 52 Ti 0.92381745673707 0.91778064464225 0.63857723795126 47.867 > 14 53 Ti 0.07618254326293 0.08221935535775 0.36142276204874 47.867 > 15 54 Ti 0.57618254326293 0.08221935535775 0.36142276204874 47.867 > 15 55 Ti 0.42381745673707 0.08221935535775 0.13857723795126 47.867 > 16 56 Ti 0.92381745673707 0.08221935535775 0.13857723795126 47.867 > 16 57 Ti 0.32618254326293 0.41778064464225 0.86142276204874 47.867 > 13 58 Ti 0.82618254326293 0.41778064464225 0.86142276204874 47.867 > 13 59 Ti 0.17381745673707 0.41778064464225 0.63857723795126 47.867 > 14 60 Ti 0.67381745673707 0.41778064464225 0.63857723795126 47.867 > 14 61 Ti 0.32618254326293 0.58221935535775 0.36142276204874 47.867 > 15 62 Ti 0.82618254326293 0.58221935535775 0.36142276204874 47.867 > 15 63 Ti 0.17381745673707 0.58221935535775 0.13857723795126 47.867 > 16 64 Ti 0.67381745673707 0.58221935535775 0.13857723795126 47.867 > 16 *65 O 0.27599135164524 0.24402275054342 0.89591784277942 15.999 > 17 66 O 0.77599135164524 0.24402275054342 0.89591784277942 15.999 > 17 67 O 0.27599135164524 0.75597724945658 0.39591784277942 15.999 > 18 68 O 0.77599135164524 0.75597724945658 0.39591784277942 15.999 > 18 *69 O 0.32922813030471 0.87959091004884 0.68246293367967 15.999 > 19 70 O 0.82922813030471 0.87959091004884 0.68246293367967 15.999 > 19 *71 O 0.10141861690464 0.05079831964790 0.98099869699462 15.999 > 20 72 O 0.60141861690464 0.05079831964790 0.98099869699462 15.999 > 20 *73 O 0.25000000000000 0.53670723636228 0.75000000000000 15.999 > 21 74 O 0.75000000000000 0.53670723636228 0.75000000000000 15.999 > 21 75 O 0.39858138309536 0.05079831964790 0.51900130300538 15.999 > 22 76 O 0.89858138309536 0.05079831964790 0.51900130300538 15.999 > 22 77 O 0.32922813030471 0.12040908995116 0.18246293367967 15.999 > 23 78 O 0.82922813030471 0.12040908995116 0.18246293367967 15.999 > 23 79 O 0.17077186969529 0.87959091004884 0.81753706632033 15.999 > 24 80 O 0.67077186969529 0.87959091004884 0.81753706632033 15.999 > 24 81 O 0.10141861690464 0.94920168035210 0.48099869699462 15.999 > 25 82 O 0.60141861690464 0.94920168035210 0.48099869699462 15.999 > 25 83 O 0.25000000000000 0.46329276363772 0.25000000000000 15.999 > 26 84 O 0.75000000000000 0.46329276363772 0.25000000000000 15.999 > 26 85 O 0.39858138309536 0.94920168035210 0.01900130300538 15.999 > 27 86 O 0.89858138309536 0.94920168035210 0.01900130300538 15.999 > 27 87 O 0.17077186969529 0.12040908995116 0.31753706632033 15.999 > 28 88 O 0.67077186969529 0.12040908995116 0.31753706632033 15.999 > 28 89 O 0.22400864835476 0.24402275054342 0.60408215722058 15.999 > 29 90 O 0.72400864835476 0.24402275054342 0.60408215722058 15.999 > 29 91 O 0.22400864835476 0.75597724945658 0.10408215722058 15.999 > 30 92 O 0.72400864835476 0.75597724945658 0.10408215722058 15.999 > 30 93 O 0.02599135164524 0.74402275054342 0.89591784277942 15.999 > 17 94 O 0.52599135164524 0.74402275054342 0.89591784277942 15.999 > 17 95 O 0.02599135164524 0.25597724945658 0.39591784277942 15.999 > 18 96 O 0.52599135164524 0.25597724945658 0.39591784277942 15.999 > 18 97 O 0.07922813030471 0.37959091004884 0.68246293367967 15.999 > 19 98 O 0.57922813030471 0.37959091004884 0.68246293367967 15.999 > 19 99 O 0.35141861690464 0.55079831964790 0.98099869699462 15.999 > 20 100 O 0.85141861690464 0.55079831964790 0.98099869699462 15.999 > 20 101 O 0.00000000000000 0.03670723636227 0.75000000000000 15.999 > 21 102 O 0.50000000000000 0.03670723636227 0.75000000000000 15.999 > 21 103 O 0.14858138309536 0.55079831964790 0.51900130300538 15.999 > 22 104 O 0.64858138309536 0.55079831964790 0.51900130300538 15.999 > 22 105 O 0.07922813030471 0.62040908995116 0.18246293367967 15.999 > 23 106 O 0.57922813030471 0.62040908995116 0.18246293367967 15.999 > 23 107 O 0.42077186969529 0.37959091004884 0.81753706632033 15.999 > 24 108 O 0.92077186969529 0.37959091004884 0.81753706632033 15.999 > 24 109 O 0.35141861690464 0.44920168035210 0.48099869699462 15.999 > 25 110 O 0.85141861690464 0.44920168035210 0.48099869699462 15.999 > 25 111 O 0.00000000000000 0.96329276363772 0.25000000000000 15.999 > 26 112 O 0.50000000000000 0.96329276363772 0.25000000000000 15.999 > 26 113 O 0.14858138309536 0.44920168035210 0.01900130300538 15.999 > 27 114 O 0.64858138309536 0.44920168035210 0.01900130300538 15.999 > 27 115 O 0.42077186969529 0.62040908995116 0.31753706632033 15.999 > 28 116 O 0.92077186969529 0.62040908995116 0.31753706632033 15.999 > 28 117 O 0.47400864835476 0.74402275054342 0.60408215722058 15.999 > 29 118 O 0.97400864835476 0.74402275054342 0.60408215722058 15.999 > 29 119 O 0.47400864835476 0.25597724945658 0.10408215722058 15.999 > 30 120 O 0.97400864835476 0.25597724945658 0.10408215722058 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9678721 0.0000000 0.0444799 0.0000000 2.8665165 0.0000000 0.0444531 0.0000000 3.0103045 -------------------------- Born effective charges -------------------------- 1 Na 0.9730159 0.2581509 -0.0596678 0.2711793 0.9609888 0.0550134 -0.1396486 -0.0049965 1.0425397 2 Na 1.1513748 0.1451103 -0.0725342 0.1854416 1.1757221 0.0137484 -0.0273207 0.1198562 1.0718510 3 Na 1.1609464 -0.2717931 0.2038941 -0.2675265 1.1182680 0.1749801 0.2162873 0.1166327 0.9726981 4 Na 1.1089394 -0.0000000 -0.0251308 0.0000000 1.1367880 0.0000000 0.0002319 0.0000000 1.0278383 5 Na 0.9730159 -0.2581509 -0.0596678 -0.2711793 0.9609888 -0.0550134 -0.1396486 0.0049965 1.0425397 6 Na 1.1513748 -0.1451103 -0.0725342 -0.1854416 1.1757221 -0.0137484 -0.0273207 -0.1198562 1.0718510 7 Na 1.1513748 -0.1451103 -0.0725342 -0.1854416 1.1757221 -0.0137484 -0.0273207 -0.1198562 1.0718510 8 Na 0.9730159 -0.2581509 -0.0596678 -0.2711793 0.9609888 -0.0550134 -0.1396486 0.0049965 1.0425397 9 Na 1.1089394 -0.0000000 -0.0251308 0.0000000 1.1367880 0.0000000 0.0002319 0.0000000 1.0278383 10 Na 1.1513748 0.1451103 -0.0725342 0.1854416 1.1757221 0.0137484 -0.0273207 0.1198562 1.0718510 11 Na 0.9730159 0.2581509 -0.0596678 0.2711793 0.9609888 0.0550134 -0.1396486 -0.0049965 1.0425397 12 Na 1.1609464 0.2717931 0.2038941 0.2675265 1.1182680 -0.1749801 0.2162873 -0.1166327 0.9726981 13 Ti 2.8891574 -0.1093715 0.1956349 0.1353536 2.5122367 0.1324242 0.1558811 -0.1193965 3.1397809 14 Ti 2.8891574 0.1093715 0.1956349 -0.1353536 2.5122367 -0.1324242 0.1558811 0.1193965 3.1397809 15 Ti 2.8891574 0.1093715 0.1956349 -0.1353536 2.5122367 -0.1324242 0.1558811 0.1193965 3.1397809 16 Ti 2.8891574 -0.1093715 0.1956349 0.1353536 2.5122367 0.1324242 0.1558811 -0.1193965 3.1397809 17 O -1.5124203 -0.6707054 0.0000422 -0.6285830 -2.0908905 0.4345173 0.0790429 0.4265445 -1.3966922 18 O -1.5124203 0.6707054 0.0000422 0.6285830 -2.0908905 -0.4345173 0.0790429 -0.4265445 -1.3966922 19 O -2.6854859 -0.2480582 0.4436271 -0.1341580 -1.1634985 -0.0527279 0.3974989 0.0263744 -1.3544734 20 O -1.1953596 0.0001337 -0.0319103 0.0079964 -1.8649954 -0.7843552 -0.0067355 -0.8733753 -2.1902258 21 O -1.5104505 -0.0000000 -1.1291471 0.0000000 -1.3141823 0.0000000 -1.1339555 0.0000000 -2.6260966 22 O -1.1953596 -0.0001337 -0.0319103 -0.0079964 -1.8649954 0.7843552 -0.0067355 0.8733753 -2.1902258 23 O -2.6854859 0.2480582 0.4436271 0.1341580 -1.1634985 0.0527279 0.3974989 -0.0263744 -1.3544734 24 O -2.6854859 0.2480582 0.4436271 0.1341580 -1.1634985 0.0527279 0.3974989 -0.0263744 -1.3544734 25 O -1.1953596 -0.0001337 -0.0319103 -0.0079964 -1.8649954 0.7843552 -0.0067355 0.8733753 -2.1902258 26 O -1.5104505 -0.0000000 -1.1291471 0.0000000 -1.3141823 0.0000000 -1.1339555 0.0000000 -2.6260966 27 O -1.1953596 0.0001337 -0.0319103 0.0079964 -1.8649954 -0.7843552 -0.0067355 -0.8733753 -2.1902258 28 O -2.6854859 -0.2480582 0.4436271 -0.1341580 -1.1634985 -0.0527279 0.3974989 0.0263744 -1.3544734 29 O -1.5124203 0.6707054 0.0000422 0.6285830 -2.0908905 -0.4345173 0.0790429 -0.4265445 -1.3966922 30 O -1.5124203 -0.6707054 0.0000422 -0.6285830 -2.0908905 0.4345173 0.0790429 0.4265445 -1.3966922 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 19494/19494 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4198 Number of blocks in projector: 4198 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: 910 Use submatrix version of eigh solver. (1) Block: 500 / 910 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 910 / 910 (1) 398 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 380 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 380 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4198, 4126), data: False |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (894, 880), data: False |-- (894, 14), data: (894, 28) @ (28, 14) |-- (394, 380), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True |-- (894, 880), data: False |-- (894, 14), data: (894, 28) @ (28, 14) |-- (394, 380), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True |-- (910, 893), data: False |-- (910, 12), data: (910, 29) @ (29, 12) |-- (410, 398), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.170 Solver_block: 200 / 960 - Time: 1.097 Solver_block: 300 / 960 - Time: 1.102 Solver_block: 400 / 960 - Time: 1.080 Solver_block: 500 / 960 - Time: 1.092 Solver_block: 600 / 960 - Time: 1.094 Solver_block: 700 / 960 - Time: 1.102 Solver_block: 800 / 960 - Time: 1.101 Solver_block: 900 / 960 - Time: 1.096 Solver_block: 960 / 960 - Time: 0.729 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.912 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 19494/19494 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4198 Number of blocks in projector: 4198 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: 910 Use submatrix version of eigh solver. (1) Block: 500 / 910 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 910 / 910 (1) 398 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 380 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 380 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4198, 4126), data: False |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (894, 880), data: False |-- (894, 14), data: (894, 28) @ (28, 14) |-- (394, 380), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True |-- (894, 880), data: False |-- (894, 14), data: (894, 28) @ (28, 14) |-- (394, 380), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True |-- (910, 893), data: False |-- (910, 12), data: (910, 29) @ (29, 12) |-- (410, 398), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:26:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:26:58]------------------------- 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: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.119693313709260 -4.295408845000000 0.000000000000000 b 4.119693313709260 4.295408845000000 0.000000000000000 c -3.188765302850727 0.000000000000000 11.719516044666067 Atomic positions (fractional): 1 Na 0.94807190553167 0.24012557734270 0.58722729636278 22.990 2 Na 0.97716505207380 0.52984589077833 0.86907437300826 22.990 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 4 Na 0.44088988470618 0.55911011529382 0.75000000000000 22.990 5 Na 0.24012557734270 0.94807190553167 0.08722729636278 22.990 6 Na 0.52984589077833 0.97716505207380 0.36907437300826 22.990 7 Na 0.47015410922167 0.02283494792620 0.63092562699174 22.990 8 Na 0.75987442265730 0.05192809446833 0.91277270363722 22.990 9 Na 0.55911011529382 0.44088988470618 0.25000000000000 22.990 10 Na 0.02283494792620 0.47015410922167 0.13092562699174 22.990 11 Na 0.05192809446833 0.75987442265730 0.41277270363722 22.990 12 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 13 Ti 0.23458444188360 0.07014573116810 0.86142276204874 47.867 14 Ti 0.92985426883190 0.76541555811640 0.63857723795126 47.867 15 Ti 0.07014573116810 0.23458444188360 0.36142276204874 47.867 16 Ti 0.76541555811640 0.92985426883190 0.13857723795126 47.867 17 O 0.30795995274707 0.79600545383391 0.89591784277942 15.999 18 O 0.79600545383391 0.30795995274707 0.39591784277942 15.999 19 O 0.77886535056057 0.53804717065825 0.68246293367967 15.999 20 O 0.15203891416138 0.25363555345719 0.98099869699462 15.999 21 O 0.96329276363772 0.03670723636227 0.75000000000000 15.999 22 O 0.74636444654281 0.84796108583862 0.51900130300538 15.999 23 O 0.53804717065825 0.77886535056057 0.18246293367967 15.999 24 O 0.46195282934175 0.22113464943943 0.81753706632033 15.999 25 O 0.25363555345719 0.15203891416138 0.48099869699462 15.999 26 O 0.03670723636228 0.96329276363772 0.25000000000000 15.999 27 O 0.84796108583862 0.74636444654281 0.01900130300538 15.999 28 O 0.22113464943943 0.46195282934175 0.31753706632033 15.999 29 O 0.20399454616609 0.69204004725293 0.60408215722058 15.999 30 O 0.69204004725293 0.20399454616609 0.10408215722058 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.478773254837041 0.000000000000000 0.000000000000000 b 0.000000000000000 8.590817690000000 0.000000000000000 c -3.188765302850727 0.000000000000000 11.719516044666067 Atomic positions (fractional): 1 Na 0.29704937071859 0.64602683590552 0.58722729636278 22.990 > 1 2 Na 0.79704937071859 0.64602683590552 0.58722729636278 22.990 > 1 3 Na 0.37675273571303 0.77634041935227 0.86907437300826 22.990 > 3 4 Na 0.87675273571303 0.77634041935227 0.86907437300826 22.990 > 3 5 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 5 6 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 5 7 Na 0.25000000000000 0.05911011529382 0.75000000000000 22.990 > 7 8 Na 0.75000000000000 0.05911011529382 0.75000000000000 22.990 > 7 9 Na 0.29704937071859 0.35397316409448 0.08722729636278 22.990 > 9 10 Na 0.79704937071859 0.35397316409448 0.08722729636278 22.990 > 9 11 Na 0.37675273571303 0.22365958064774 0.36907437300826 22.990 > 11 12 Na 0.87675273571303 0.22365958064774 0.36907437300826 22.990 > 11 13 Na 0.12324726428697 0.77634041935227 0.63092562699174 22.990 > 13 14 Na 0.62324726428697 0.77634041935227 0.63092562699174 22.990 > 13 15 Na 0.20295062928141 0.64602683590552 0.91277270363722 22.990 > 15 16 Na 0.70295062928141 0.64602683590552 0.91277270363722 22.990 > 15 17 Na 0.25000000000000 0.94088988470618 0.25000000000000 22.990 > 17 18 Na 0.75000000000000 0.94088988470618 0.25000000000000 22.990 > 17 19 Na 0.12324726428697 0.22365958064774 0.13092562699174 22.990 > 19 20 Na 0.62324726428697 0.22365958064774 0.13092562699174 22.990 > 19 21 Na 0.20295062928141 0.35397316409448 0.41277270363722 22.990 > 21 22 Na 0.70295062928141 0.35397316409448 0.41277270363722 22.990 > 21 23 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 23 24 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 23 25 Na 0.04704937071859 0.14602683590551 0.58722729636278 22.990 > 1 26 Na 0.54704937071859 0.14602683590551 0.58722729636278 22.990 > 1 27 Na 0.12675273571303 0.27634041935226 0.86907437300826 22.990 > 3 28 Na 0.62675273571303 0.27634041935226 0.86907437300826 22.990 > 3 29 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 5 30 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 5 31 Na 0.00000000000000 0.55911011529382 0.75000000000000 22.990 > 7 32 Na 0.50000000000000 0.55911011529382 0.75000000000000 22.990 > 7 33 Na 0.04704937071859 0.85397316409448 0.08722729636278 22.990 > 9 34 Na 0.54704937071859 0.85397316409448 0.08722729636278 22.990 > 9 35 Na 0.12675273571303 0.72365958064773 0.36907437300826 22.990 > 11 36 Na 0.62675273571303 0.72365958064773 0.36907437300826 22.990 > 11 37 Na 0.37324726428697 0.27634041935226 0.63092562699174 22.990 > 13 38 Na 0.87324726428697 0.27634041935226 0.63092562699174 22.990 > 13 39 Na 0.45295062928141 0.14602683590551 0.91277270363722 22.990 > 15 40 Na 0.95295062928141 0.14602683590551 0.91277270363722 22.990 > 15 41 Na 0.00000000000000 0.44088988470618 0.25000000000000 22.990 > 17 42 Na 0.50000000000000 0.44088988470618 0.25000000000000 22.990 > 17 43 Na 0.37324726428697 0.72365958064773 0.13092562699174 22.990 > 19 44 Na 0.87324726428697 0.72365958064773 0.13092562699174 22.990 > 19 45 Na 0.45295062928141 0.85397316409448 0.41277270363722 22.990 > 21 46 Na 0.95295062928141 0.85397316409448 0.41277270363722 22.990 > 21 47 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 23 48 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 23 49 Ti 0.07618254326293 0.91778064464225 0.86142276204874 47.867 > 49 50 Ti 0.57618254326293 0.91778064464225 0.86142276204874 47.867 > 49 51 Ti 0.42381745673707 0.91778064464225 0.63857723795126 47.867 > 51 52 Ti 0.92381745673707 0.91778064464225 0.63857723795126 47.867 > 51 53 Ti 0.07618254326293 0.08221935535775 0.36142276204874 47.867 > 53 54 Ti 0.57618254326293 0.08221935535775 0.36142276204874 47.867 > 53 55 Ti 0.42381745673707 0.08221935535775 0.13857723795126 47.867 > 55 56 Ti 0.92381745673707 0.08221935535775 0.13857723795126 47.867 > 55 57 Ti 0.32618254326293 0.41778064464225 0.86142276204874 47.867 > 49 58 Ti 0.82618254326293 0.41778064464225 0.86142276204874 47.867 > 49 59 Ti 0.17381745673707 0.41778064464225 0.63857723795126 47.867 > 51 60 Ti 0.67381745673707 0.41778064464225 0.63857723795126 47.867 > 51 61 Ti 0.32618254326293 0.58221935535775 0.36142276204874 47.867 > 53 62 Ti 0.82618254326293 0.58221935535775 0.36142276204874 47.867 > 53 63 Ti 0.17381745673707 0.58221935535775 0.13857723795126 47.867 > 55 64 Ti 0.67381745673707 0.58221935535775 0.13857723795126 47.867 > 55 65 O 0.27599135164524 0.24402275054342 0.89591784277942 15.999 > 65 66 O 0.77599135164524 0.24402275054342 0.89591784277942 15.999 > 65 67 O 0.27599135164524 0.75597724945658 0.39591784277942 15.999 > 67 68 O 0.77599135164524 0.75597724945658 0.39591784277942 15.999 > 67 69 O 0.32922813030471 0.87959091004884 0.68246293367967 15.999 > 69 70 O 0.82922813030471 0.87959091004884 0.68246293367967 15.999 > 69 71 O 0.10141861690464 0.05079831964790 0.98099869699462 15.999 > 71 72 O 0.60141861690464 0.05079831964790 0.98099869699462 15.999 > 71 73 O 0.25000000000000 0.53670723636228 0.75000000000000 15.999 > 73 74 O 0.75000000000000 0.53670723636228 0.75000000000000 15.999 > 73 75 O 0.39858138309536 0.05079831964790 0.51900130300538 15.999 > 75 76 O 0.89858138309536 0.05079831964790 0.51900130300538 15.999 > 75 77 O 0.32922813030471 0.12040908995116 0.18246293367967 15.999 > 77 78 O 0.82922813030471 0.12040908995116 0.18246293367967 15.999 > 77 79 O 0.17077186969529 0.87959091004884 0.81753706632033 15.999 > 79 80 O 0.67077186969529 0.87959091004884 0.81753706632033 15.999 > 79 81 O 0.10141861690464 0.94920168035210 0.48099869699462 15.999 > 81 82 O 0.60141861690464 0.94920168035210 0.48099869699462 15.999 > 81 83 O 0.25000000000000 0.46329276363772 0.25000000000000 15.999 > 83 84 O 0.75000000000000 0.46329276363772 0.25000000000000 15.999 > 83 85 O 0.39858138309536 0.94920168035210 0.01900130300538 15.999 > 85 86 O 0.89858138309536 0.94920168035210 0.01900130300538 15.999 > 85 87 O 0.17077186969529 0.12040908995116 0.31753706632033 15.999 > 87 88 O 0.67077186969529 0.12040908995116 0.31753706632033 15.999 > 87 89 O 0.22400864835476 0.24402275054342 0.60408215722058 15.999 > 89 90 O 0.72400864835476 0.24402275054342 0.60408215722058 15.999 > 89 91 O 0.22400864835476 0.75597724945658 0.10408215722058 15.999 > 91 92 O 0.72400864835476 0.75597724945658 0.10408215722058 15.999 > 91 93 O 0.02599135164524 0.74402275054342 0.89591784277942 15.999 > 65 94 O 0.52599135164524 0.74402275054342 0.89591784277942 15.999 > 65 95 O 0.02599135164524 0.25597724945658 0.39591784277942 15.999 > 67 96 O 0.52599135164524 0.25597724945658 0.39591784277942 15.999 > 67 97 O 0.07922813030471 0.37959091004884 0.68246293367967 15.999 > 69 98 O 0.57922813030471 0.37959091004884 0.68246293367967 15.999 > 69 99 O 0.35141861690464 0.55079831964790 0.98099869699462 15.999 > 71 100 O 0.85141861690464 0.55079831964790 0.98099869699462 15.999 > 71 101 O 0.00000000000000 0.03670723636227 0.75000000000000 15.999 > 73 102 O 0.50000000000000 0.03670723636227 0.75000000000000 15.999 > 73 103 O 0.14858138309536 0.55079831964790 0.51900130300538 15.999 > 75 104 O 0.64858138309536 0.55079831964790 0.51900130300538 15.999 > 75 105 O 0.07922813030471 0.62040908995116 0.18246293367967 15.999 > 77 106 O 0.57922813030471 0.62040908995116 0.18246293367967 15.999 > 77 107 O 0.42077186969529 0.37959091004884 0.81753706632033 15.999 > 79 108 O 0.92077186969529 0.37959091004884 0.81753706632033 15.999 > 79 109 O 0.35141861690464 0.44920168035210 0.48099869699462 15.999 > 81 110 O 0.85141861690464 0.44920168035210 0.48099869699462 15.999 > 81 111 O 0.00000000000000 0.96329276363772 0.25000000000000 15.999 > 83 112 O 0.50000000000000 0.96329276363772 0.25000000000000 15.999 > 83 113 O 0.14858138309536 0.44920168035210 0.01900130300538 15.999 > 85 114 O 0.64858138309536 0.44920168035210 0.01900130300538 15.999 > 85 115 O 0.42077186969529 0.62040908995116 0.31753706632033 15.999 > 87 116 O 0.92077186969529 0.62040908995116 0.31753706632033 15.999 > 87 117 O 0.47400864835476 0.74402275054342 0.60408215722058 15.999 > 89 118 O 0.97400864835476 0.74402275054342 0.60408215722058 15.999 > 89 119 O 0.47400864835476 0.25597724945658 0.10408215722058 15.999 > 91 120 O 0.97400864835476 0.25597724945658 0.10408215722058 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9678721 0.0000000 0.0444799 0.0000000 2.8665165 0.0000000 0.0444531 0.0000000 3.0103045 -------------------------- Born effective charges -------------------------- 1 Na 0.9730159 0.2581509 -0.0596678 0.2711793 0.9609888 0.0550134 -0.1396486 -0.0049965 1.0425397 2 Na 1.1513748 0.1451103 -0.0725342 0.1854416 1.1757221 0.0137484 -0.0273207 0.1198562 1.0718510 3 Na 1.1609464 -0.2717931 0.2038941 -0.2675265 1.1182680 0.1749801 0.2162873 0.1166327 0.9726981 4 Na 1.1089394 -0.0000000 -0.0251308 0.0000000 1.1367880 0.0000000 0.0002319 0.0000000 1.0278383 5 Na 0.9730159 -0.2581509 -0.0596678 -0.2711793 0.9609888 -0.0550134 -0.1396486 0.0049965 1.0425397 6 Na 1.1513748 -0.1451103 -0.0725342 -0.1854416 1.1757221 -0.0137484 -0.0273207 -0.1198562 1.0718510 7 Na 1.1513748 -0.1451103 -0.0725342 -0.1854416 1.1757221 -0.0137484 -0.0273207 -0.1198562 1.0718510 8 Na 0.9730159 -0.2581509 -0.0596678 -0.2711793 0.9609888 -0.0550134 -0.1396486 0.0049965 1.0425397 9 Na 1.1089394 -0.0000000 -0.0251308 0.0000000 1.1367880 0.0000000 0.0002319 0.0000000 1.0278383 10 Na 1.1513748 0.1451103 -0.0725342 0.1854416 1.1757221 0.0137484 -0.0273207 0.1198562 1.0718510 11 Na 0.9730159 0.2581509 -0.0596678 0.2711793 0.9609888 0.0550134 -0.1396486 -0.0049965 1.0425397 12 Na 1.1609464 0.2717931 0.2038941 0.2675265 1.1182680 -0.1749801 0.2162873 -0.1166327 0.9726981 13 Ti 2.8891574 -0.1093715 0.1956349 0.1353536 2.5122367 0.1324242 0.1558811 -0.1193965 3.1397809 14 Ti 2.8891574 0.1093715 0.1956349 -0.1353536 2.5122367 -0.1324242 0.1558811 0.1193965 3.1397809 15 Ti 2.8891574 0.1093715 0.1956349 -0.1353536 2.5122367 -0.1324242 0.1558811 0.1193965 3.1397809 16 Ti 2.8891574 -0.1093715 0.1956349 0.1353536 2.5122367 0.1324242 0.1558811 -0.1193965 3.1397809 17 O -1.5124203 -0.6707054 0.0000422 -0.6285830 -2.0908905 0.4345173 0.0790429 0.4265445 -1.3966922 18 O -1.5124203 0.6707054 0.0000422 0.6285830 -2.0908905 -0.4345173 0.0790429 -0.4265445 -1.3966922 19 O -2.6854859 -0.2480582 0.4436271 -0.1341580 -1.1634985 -0.0527279 0.3974989 0.0263744 -1.3544734 20 O -1.1953596 0.0001337 -0.0319103 0.0079964 -1.8649954 -0.7843552 -0.0067355 -0.8733753 -2.1902258 21 O -1.5104505 -0.0000000 -1.1291471 0.0000000 -1.3141823 0.0000000 -1.1339555 0.0000000 -2.6260966 22 O -1.1953596 -0.0001337 -0.0319103 -0.0079964 -1.8649954 0.7843552 -0.0067355 0.8733753 -2.1902258 23 O -2.6854859 0.2480582 0.4436271 0.1341580 -1.1634985 0.0527279 0.3974989 -0.0263744 -1.3544734 24 O -2.6854859 0.2480582 0.4436271 0.1341580 -1.1634985 0.0527279 0.3974989 -0.0263744 -1.3544734 25 O -1.1953596 -0.0001337 -0.0319103 -0.0079964 -1.8649954 0.7843552 -0.0067355 0.8733753 -2.1902258 26 O -1.5104505 -0.0000000 -1.1291471 0.0000000 -1.3141823 0.0000000 -1.1339555 0.0000000 -2.6260966 27 O -1.1953596 0.0001337 -0.0319103 0.0079964 -1.8649954 -0.7843552 -0.0067355 -0.8733753 -2.1902258 28 O -2.6854859 -0.2480582 0.4436271 -0.1341580 -1.1634985 -0.0527279 0.3974989 0.0263744 -1.3544734 29 O -1.5124203 0.6707054 0.0000422 0.6285830 -2.0908905 -0.4345173 0.0790429 -0.4265445 -1.3966922 30 O -1.5124203 -0.6707054 0.0000422 -0.6285830 -2.0908905 0.4345173 0.0790429 0.4265445 -1.3966922 ---------------------------------------------------------------------------- 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 5, 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 7, 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 69, 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 71, 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:27:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:27:42]------------------------- 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: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.119693313709260 -4.295408845000000 0.000000000000000 b 4.119693313709260 4.295408845000000 0.000000000000000 c -3.188765302850727 0.000000000000000 11.719516044666067 Atomic positions (fractional): 1 Na 0.94807190553167 0.24012557734270 0.58722729636278 22.990 2 Na 0.97716505207380 0.52984589077833 0.86907437300826 22.990 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 4 Na 0.44088988470618 0.55911011529382 0.75000000000000 22.990 5 Na 0.24012557734270 0.94807190553167 0.08722729636278 22.990 6 Na 0.52984589077833 0.97716505207380 0.36907437300826 22.990 7 Na 0.47015410922167 0.02283494792620 0.63092562699174 22.990 8 Na 0.75987442265730 0.05192809446833 0.91277270363722 22.990 9 Na 0.55911011529382 0.44088988470618 0.25000000000000 22.990 10 Na 0.02283494792620 0.47015410922167 0.13092562699174 22.990 11 Na 0.05192809446833 0.75987442265730 0.41277270363722 22.990 12 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 13 Ti 0.23458444188360 0.07014573116810 0.86142276204874 47.867 14 Ti 0.92985426883190 0.76541555811640 0.63857723795126 47.867 15 Ti 0.07014573116810 0.23458444188360 0.36142276204874 47.867 16 Ti 0.76541555811640 0.92985426883190 0.13857723795126 47.867 17 O 0.30795995274707 0.79600545383391 0.89591784277942 15.999 18 O 0.79600545383391 0.30795995274707 0.39591784277942 15.999 19 O 0.77886535056057 0.53804717065825 0.68246293367967 15.999 20 O 0.15203891416138 0.25363555345719 0.98099869699462 15.999 21 O 0.96329276363772 0.03670723636227 0.75000000000000 15.999 22 O 0.74636444654281 0.84796108583862 0.51900130300538 15.999 23 O 0.53804717065825 0.77886535056057 0.18246293367967 15.999 24 O 0.46195282934175 0.22113464943943 0.81753706632033 15.999 25 O 0.25363555345719 0.15203891416138 0.48099869699462 15.999 26 O 0.03670723636228 0.96329276363772 0.25000000000000 15.999 27 O 0.84796108583862 0.74636444654281 0.01900130300538 15.999 28 O 0.22113464943943 0.46195282934175 0.31753706632033 15.999 29 O 0.20399454616609 0.69204004725293 0.60408215722058 15.999 30 O 0.69204004725293 0.20399454616609 0.10408215722058 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.478773254837041 0.000000000000000 0.000000000000000 b 0.000000000000000 8.590817690000000 0.000000000000000 c -3.188765302850727 0.000000000000000 11.719516044666067 Atomic positions (fractional): 1 Na 0.29704937071859 0.64602683590552 0.58722729636278 22.990 > 1 2 Na 0.79704937071859 0.64602683590552 0.58722729636278 22.990 > 1 3 Na 0.37675273571303 0.77634041935227 0.86907437300826 22.990 > 3 4 Na 0.87675273571303 0.77634041935227 0.86907437300826 22.990 > 3 5 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 5 6 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 5 7 Na 0.25000000000000 0.05911011529382 0.75000000000000 22.990 > 7 8 Na 0.75000000000000 0.05911011529382 0.75000000000000 22.990 > 7 9 Na 0.29704937071859 0.35397316409448 0.08722729636278 22.990 > 9 10 Na 0.79704937071859 0.35397316409448 0.08722729636278 22.990 > 9 11 Na 0.37675273571303 0.22365958064774 0.36907437300826 22.990 > 11 12 Na 0.87675273571303 0.22365958064774 0.36907437300826 22.990 > 11 13 Na 0.12324726428697 0.77634041935227 0.63092562699174 22.990 > 13 14 Na 0.62324726428697 0.77634041935227 0.63092562699174 22.990 > 13 15 Na 0.20295062928141 0.64602683590552 0.91277270363722 22.990 > 15 16 Na 0.70295062928141 0.64602683590552 0.91277270363722 22.990 > 15 17 Na 0.25000000000000 0.94088988470618 0.25000000000000 22.990 > 17 18 Na 0.75000000000000 0.94088988470618 0.25000000000000 22.990 > 17 19 Na 0.12324726428697 0.22365958064774 0.13092562699174 22.990 > 19 20 Na 0.62324726428697 0.22365958064774 0.13092562699174 22.990 > 19 21 Na 0.20295062928141 0.35397316409448 0.41277270363722 22.990 > 21 22 Na 0.70295062928141 0.35397316409448 0.41277270363722 22.990 > 21 23 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 23 24 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 23 25 Na 0.04704937071859 0.14602683590551 0.58722729636278 22.990 > 1 26 Na 0.54704937071859 0.14602683590551 0.58722729636278 22.990 > 1 27 Na 0.12675273571303 0.27634041935226 0.86907437300826 22.990 > 3 28 Na 0.62675273571303 0.27634041935226 0.86907437300826 22.990 > 3 29 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 5 30 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 5 31 Na 0.00000000000000 0.55911011529382 0.75000000000000 22.990 > 7 32 Na 0.50000000000000 0.55911011529382 0.75000000000000 22.990 > 7 33 Na 0.04704937071859 0.85397316409448 0.08722729636278 22.990 > 9 34 Na 0.54704937071859 0.85397316409448 0.08722729636278 22.990 > 9 35 Na 0.12675273571303 0.72365958064773 0.36907437300826 22.990 > 11 36 Na 0.62675273571303 0.72365958064773 0.36907437300826 22.990 > 11 37 Na 0.37324726428697 0.27634041935226 0.63092562699174 22.990 > 13 38 Na 0.87324726428697 0.27634041935226 0.63092562699174 22.990 > 13 39 Na 0.45295062928141 0.14602683590551 0.91277270363722 22.990 > 15 40 Na 0.95295062928141 0.14602683590551 0.91277270363722 22.990 > 15 41 Na 0.00000000000000 0.44088988470618 0.25000000000000 22.990 > 17 42 Na 0.50000000000000 0.44088988470618 0.25000000000000 22.990 > 17 43 Na 0.37324726428697 0.72365958064773 0.13092562699174 22.990 > 19 44 Na 0.87324726428697 0.72365958064773 0.13092562699174 22.990 > 19 45 Na 0.45295062928141 0.85397316409448 0.41277270363722 22.990 > 21 46 Na 0.95295062928141 0.85397316409448 0.41277270363722 22.990 > 21 47 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 23 48 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 23 49 Ti 0.07618254326293 0.91778064464225 0.86142276204874 47.867 > 49 50 Ti 0.57618254326293 0.91778064464225 0.86142276204874 47.867 > 49 51 Ti 0.42381745673707 0.91778064464225 0.63857723795126 47.867 > 51 52 Ti 0.92381745673707 0.91778064464225 0.63857723795126 47.867 > 51 53 Ti 0.07618254326293 0.08221935535775 0.36142276204874 47.867 > 53 54 Ti 0.57618254326293 0.08221935535775 0.36142276204874 47.867 > 53 55 Ti 0.42381745673707 0.08221935535775 0.13857723795126 47.867 > 55 56 Ti 0.92381745673707 0.08221935535775 0.13857723795126 47.867 > 55 57 Ti 0.32618254326293 0.41778064464225 0.86142276204874 47.867 > 49 58 Ti 0.82618254326293 0.41778064464225 0.86142276204874 47.867 > 49 59 Ti 0.17381745673707 0.41778064464225 0.63857723795126 47.867 > 51 60 Ti 0.67381745673707 0.41778064464225 0.63857723795126 47.867 > 51 61 Ti 0.32618254326293 0.58221935535775 0.36142276204874 47.867 > 53 62 Ti 0.82618254326293 0.58221935535775 0.36142276204874 47.867 > 53 63 Ti 0.17381745673707 0.58221935535775 0.13857723795126 47.867 > 55 64 Ti 0.67381745673707 0.58221935535775 0.13857723795126 47.867 > 55 65 O 0.27599135164524 0.24402275054342 0.89591784277942 15.999 > 65 66 O 0.77599135164524 0.24402275054342 0.89591784277942 15.999 > 65 67 O 0.27599135164524 0.75597724945658 0.39591784277942 15.999 > 67 68 O 0.77599135164524 0.75597724945658 0.39591784277942 15.999 > 67 69 O 0.32922813030471 0.87959091004884 0.68246293367967 15.999 > 69 70 O 0.82922813030471 0.87959091004884 0.68246293367967 15.999 > 69 71 O 0.10141861690464 0.05079831964790 0.98099869699462 15.999 > 71 72 O 0.60141861690464 0.05079831964790 0.98099869699462 15.999 > 71 73 O 0.25000000000000 0.53670723636228 0.75000000000000 15.999 > 73 74 O 0.75000000000000 0.53670723636228 0.75000000000000 15.999 > 73 75 O 0.39858138309536 0.05079831964790 0.51900130300538 15.999 > 75 76 O 0.89858138309536 0.05079831964790 0.51900130300538 15.999 > 75 77 O 0.32922813030471 0.12040908995116 0.18246293367967 15.999 > 77 78 O 0.82922813030471 0.12040908995116 0.18246293367967 15.999 > 77 79 O 0.17077186969529 0.87959091004884 0.81753706632033 15.999 > 79 80 O 0.67077186969529 0.87959091004884 0.81753706632033 15.999 > 79 81 O 0.10141861690464 0.94920168035210 0.48099869699462 15.999 > 81 82 O 0.60141861690464 0.94920168035210 0.48099869699462 15.999 > 81 83 O 0.25000000000000 0.46329276363772 0.25000000000000 15.999 > 83 84 O 0.75000000000000 0.46329276363772 0.25000000000000 15.999 > 83 85 O 0.39858138309536 0.94920168035210 0.01900130300538 15.999 > 85 86 O 0.89858138309536 0.94920168035210 0.01900130300538 15.999 > 85 87 O 0.17077186969529 0.12040908995116 0.31753706632033 15.999 > 87 88 O 0.67077186969529 0.12040908995116 0.31753706632033 15.999 > 87 89 O 0.22400864835476 0.24402275054342 0.60408215722058 15.999 > 89 90 O 0.72400864835476 0.24402275054342 0.60408215722058 15.999 > 89 91 O 0.22400864835476 0.75597724945658 0.10408215722058 15.999 > 91 92 O 0.72400864835476 0.75597724945658 0.10408215722058 15.999 > 91 93 O 0.02599135164524 0.74402275054342 0.89591784277942 15.999 > 65 94 O 0.52599135164524 0.74402275054342 0.89591784277942 15.999 > 65 95 O 0.02599135164524 0.25597724945658 0.39591784277942 15.999 > 67 96 O 0.52599135164524 0.25597724945658 0.39591784277942 15.999 > 67 97 O 0.07922813030471 0.37959091004884 0.68246293367967 15.999 > 69 98 O 0.57922813030471 0.37959091004884 0.68246293367967 15.999 > 69 99 O 0.35141861690464 0.55079831964790 0.98099869699462 15.999 > 71 100 O 0.85141861690464 0.55079831964790 0.98099869699462 15.999 > 71 101 O 0.00000000000000 0.03670723636227 0.75000000000000 15.999 > 73 102 O 0.50000000000000 0.03670723636227 0.75000000000000 15.999 > 73 103 O 0.14858138309536 0.55079831964790 0.51900130300538 15.999 > 75 104 O 0.64858138309536 0.55079831964790 0.51900130300538 15.999 > 75 105 O 0.07922813030471 0.62040908995116 0.18246293367967 15.999 > 77 106 O 0.57922813030471 0.62040908995116 0.18246293367967 15.999 > 77 107 O 0.42077186969529 0.37959091004884 0.81753706632033 15.999 > 79 108 O 0.92077186969529 0.37959091004884 0.81753706632033 15.999 > 79 109 O 0.35141861690464 0.44920168035210 0.48099869699462 15.999 > 81 110 O 0.85141861690464 0.44920168035210 0.48099869699462 15.999 > 81 111 O 0.00000000000000 0.96329276363772 0.25000000000000 15.999 > 83 112 O 0.50000000000000 0.96329276363772 0.25000000000000 15.999 > 83 113 O 0.14858138309536 0.44920168035210 0.01900130300538 15.999 > 85 114 O 0.64858138309536 0.44920168035210 0.01900130300538 15.999 > 85 115 O 0.42077186969529 0.62040908995116 0.31753706632033 15.999 > 87 116 O 0.92077186969529 0.62040908995116 0.31753706632033 15.999 > 87 117 O 0.47400864835476 0.74402275054342 0.60408215722058 15.999 > 89 118 O 0.97400864835476 0.74402275054342 0.60408215722058 15.999 > 89 119 O 0.47400864835476 0.25597724945658 0.10408215722058 15.999 > 91 120 O 0.97400864835476 0.25597724945658 0.10408215722058 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9678721 0.0000000 0.0444799 0.0000000 2.8665165 0.0000000 0.0444531 0.0000000 3.0103045 -------------------------- Born effective charges -------------------------- 1 Na 0.9730159 0.2581509 -0.0596678 0.2711793 0.9609888 0.0550134 -0.1396486 -0.0049965 1.0425397 2 Na 1.1513748 0.1451103 -0.0725342 0.1854416 1.1757221 0.0137484 -0.0273207 0.1198562 1.0718510 3 Na 1.1609464 -0.2717931 0.2038941 -0.2675265 1.1182680 0.1749801 0.2162873 0.1166327 0.9726981 4 Na 1.1089394 -0.0000000 -0.0251308 0.0000000 1.1367880 0.0000000 0.0002319 0.0000000 1.0278383 5 Na 0.9730159 -0.2581509 -0.0596678 -0.2711793 0.9609888 -0.0550134 -0.1396486 0.0049965 1.0425397 6 Na 1.1513748 -0.1451103 -0.0725342 -0.1854416 1.1757221 -0.0137484 -0.0273207 -0.1198562 1.0718510 7 Na 1.1513748 -0.1451103 -0.0725342 -0.1854416 1.1757221 -0.0137484 -0.0273207 -0.1198562 1.0718510 8 Na 0.9730159 -0.2581509 -0.0596678 -0.2711793 0.9609888 -0.0550134 -0.1396486 0.0049965 1.0425397 9 Na 1.1089394 -0.0000000 -0.0251308 0.0000000 1.1367880 0.0000000 0.0002319 0.0000000 1.0278383 10 Na 1.1513748 0.1451103 -0.0725342 0.1854416 1.1757221 0.0137484 -0.0273207 0.1198562 1.0718510 11 Na 0.9730159 0.2581509 -0.0596678 0.2711793 0.9609888 0.0550134 -0.1396486 -0.0049965 1.0425397 12 Na 1.1609464 0.2717931 0.2038941 0.2675265 1.1182680 -0.1749801 0.2162873 -0.1166327 0.9726981 13 Ti 2.8891574 -0.1093715 0.1956349 0.1353536 2.5122367 0.1324242 0.1558811 -0.1193965 3.1397809 14 Ti 2.8891574 0.1093715 0.1956349 -0.1353536 2.5122367 -0.1324242 0.1558811 0.1193965 3.1397809 15 Ti 2.8891574 0.1093715 0.1956349 -0.1353536 2.5122367 -0.1324242 0.1558811 0.1193965 3.1397809 16 Ti 2.8891574 -0.1093715 0.1956349 0.1353536 2.5122367 0.1324242 0.1558811 -0.1193965 3.1397809 17 O -1.5124203 -0.6707054 0.0000422 -0.6285830 -2.0908905 0.4345173 0.0790429 0.4265445 -1.3966922 18 O -1.5124203 0.6707054 0.0000422 0.6285830 -2.0908905 -0.4345173 0.0790429 -0.4265445 -1.3966922 19 O -2.6854859 -0.2480582 0.4436271 -0.1341580 -1.1634985 -0.0527279 0.3974989 0.0263744 -1.3544734 20 O -1.1953596 0.0001337 -0.0319103 0.0079964 -1.8649954 -0.7843552 -0.0067355 -0.8733753 -2.1902258 21 O -1.5104505 -0.0000000 -1.1291471 0.0000000 -1.3141823 0.0000000 -1.1339555 0.0000000 -2.6260966 22 O -1.1953596 -0.0001337 -0.0319103 -0.0079964 -1.8649954 0.7843552 -0.0067355 0.8733753 -2.1902258 23 O -2.6854859 0.2480582 0.4436271 0.1341580 -1.1634985 0.0527279 0.3974989 -0.0263744 -1.3544734 24 O -2.6854859 0.2480582 0.4436271 0.1341580 -1.1634985 0.0527279 0.3974989 -0.0263744 -1.3544734 25 O -1.1953596 -0.0001337 -0.0319103 -0.0079964 -1.8649954 0.7843552 -0.0067355 0.8733753 -2.1902258 26 O -1.5104505 -0.0000000 -1.1291471 0.0000000 -1.3141823 0.0000000 -1.1339555 0.0000000 -2.6260966 27 O -1.1953596 0.0001337 -0.0319103 0.0079964 -1.8649954 -0.7843552 -0.0067355 -0.8733753 -2.1902258 28 O -2.6854859 -0.2480582 0.4436271 -0.1341580 -1.1634985 -0.0527279 0.3974989 0.0263744 -1.3544734 29 O -1.5124203 0.6707054 0.0000422 0.6285830 -2.0908905 -0.4345173 0.0790429 -0.4265445 -1.3966922 30 O -1.5124203 -0.6707054 0.0000422 -0.6285830 -2.0908905 0.4345173 0.0790429 0.4265445 -1.3966922 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.56, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 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 1.435 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.155 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.168 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.486 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.726 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 9.708 ( 0.000 0.000 0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 10.082 ( 0.000 0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 10.276 ( 0.000 0.000 0.000) 0.000 10.517 ( 0.000 0.000 0.000) 0.000 10.776 ( 0.000 0.000 0.000) 0.000 10.937 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.019 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 16.765 ( 0.000 0.000 0.000) 0.000 16.793 ( 0.000 0.000 0.000) 0.000 19.440 ( 0.000 0.000 0.000) 0.000 20.565 ( 0.000 0.000 0.000) 0.000 20.986 ( 0.000 0.000 0.000) 0.000 21.383 ( 0.000 0.000 0.000) 0.000 21.503 ( 0.000 0.000 0.000) 0.000 21.787 ( 0.000 0.000 0.000) 0.000 21.958 ( 0.000 0.000 0.000) 0.000 22.094 ( 0.000 0.000 0.000) 0.000 22.599 ( 0.000 0.000 0.000) 0.000 22.605 ( 0.000 0.000 0.000) 0.000 22.676 ( 0.000 0.000 0.000) 0.000 22.895 ( 0.000 0.000 0.000) 0.000 22.936 ( 0.000 0.000 0.000) 0.000 23.279 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 21.459 -2.889 -8.917) 23.416 0.512 ( 19.856 -17.074 6.009) 26.868 0.943 ( 26.140 -40.772 4.367) 48.628 1.737 ( 17.038 -0.587 7.762) 18.732 2.048 ( 7.584 -9.985 -6.729) 14.230 2.266 ( -9.442 -1.149 -4.695) 10.608 2.575 ( 5.665 -7.090 -0.800) 9.110 2.617 ( -2.491 6.447 10.952) 12.950 2.926 ( 1.512 3.127 1.522) 3.792 3.162 ( 2.419 -8.821 -1.762) 9.315 3.184 ( 9.716 -2.828 -2.279) 10.373 3.450 ( -4.314 -2.848 0.577) 5.202 3.467 ( -2.321 -3.131 8.797) 9.622 3.657 ( -7.825 3.813 -3.498) 9.381 3.761 ( -0.492 -1.778 -4.013) 4.417 4.035 ( 3.358 1.749 -0.999) 3.916 4.101 ( 4.330 5.291 -0.261) 6.842 4.312 ( -4.194 7.778 0.867) 8.879 4.478 ( -5.546 -2.597 2.018) 6.448 4.614 ( -7.388 2.468 -0.980) 7.850 4.633 ( 7.287 6.933 -3.904) 10.790 4.731 ( 0.333 -0.295 0.076) 0.451 4.847 ( 2.280 -1.636 1.705) 3.284 5.009 ( 4.542 7.260 -0.045) 8.564 5.136 ( -0.772 -6.627 3.101) 7.357 5.167 ( 5.518 0.785 -0.701) 5.617 5.200 ( 2.442 0.197 -0.818) 2.583 5.369 ( -3.849 -3.750 9.057) 10.531 5.496 ( -8.750 -2.030 13.396) 16.129 5.621 ( 4.926 3.625 -10.592) 12.230 5.639 ( 4.003 7.790 -7.684) 11.651 5.679 ( 7.195 -4.482 -5.687) 10.207 5.869 ( -7.839 5.756 -0.469) 9.736 6.026 ( -4.347 -6.222 -7.048) 10.358 6.082 ( 1.807 1.124 3.414) 4.023 6.107 ( 0.222 5.044 -0.324) 5.059 6.195 ( 4.234 0.249 0.111) 4.243 6.275 ( -0.857 2.042 0.259) 2.230 6.394 ( -2.066 -2.742 -2.787) 4.422 6.478 ( -3.467 -3.247 -1.246) 4.911 6.535 ( 1.917 2.732 1.355) 3.602 6.736 ( 1.296 12.816 1.000) 12.920 6.811 ( -5.013 1.024 -2.081) 5.523 6.923 ( 4.343 5.963 -10.644) 12.951 6.965 ( -4.086 -0.564 7.558) 8.610 7.037 ( 5.133 -2.432 -6.276) 8.465 7.118 ( -0.144 -0.897 -7.606) 7.660 7.156 ( 5.926 1.870 7.608) 9.823 7.243 ( 0.038 -10.949 -2.719) 11.282 7.458 ( 1.845 3.133 1.017) 3.775 7.510 ( -1.066 -2.509 2.699) 3.836 7.557 ( 0.832 -3.029 -2.257) 3.868 7.674 ( -2.778 -1.991 -2.009) 3.965 7.806 ( -0.979 -4.497 4.374) 6.350 7.964 ( -2.129 3.275 0.436) 3.931 8.127 ( -0.417 -2.324 5.401) 5.894 8.289 ( 3.614 6.117 4.191) 8.249 8.725 ( -0.968 3.212 -2.442) 4.150 8.810 ( -0.445 5.775 -3.404) 6.718 8.881 ( 6.913 8.631 -6.669) 12.914 9.682 ( -0.363 1.527 -2.130) 2.646 9.864 ( 2.647 6.073 17.036) 18.279 9.950 ( -1.671 2.351 -1.223) 3.133 10.011 ( -8.239 1.447 4.820) 9.655 10.099 ( -3.340 1.199 -0.811) 3.641 10.240 ( 5.044 5.367 -1.602) 7.537 10.341 ( 2.219 -4.085 3.650) 5.910 10.648 ( -2.754 -5.744 -0.084) 6.371 10.859 ( -8.177 0.499 -3.507) 8.911 10.937 ( -0.556 2.114 -0.959) 2.387 10.988 ( -16.013 -11.905 -4.887) 20.543 11.085 ( 4.569 -1.040 3.710) 5.977 11.137 ( 1.090 -4.575 6.946) 8.388 11.397 ( -1.143 -7.863 -1.225) 8.040 16.767 ( -0.071 -0.545 -0.392) 0.675 16.857 ( -5.397 -6.212 -3.256) 8.850 19.746 ( 2.593 18.000 53.901) 56.886 20.522 ( 1.566 6.979 -4.306) 8.349 21.030 ( 3.333 -2.525 1.175) 4.343 21.443 ( 5.504 -2.499 -14.745) 15.936 21.550 ( 4.825 -1.261 -0.241) 4.992 21.879 ( 2.874 3.214 -0.271) 4.320 22.087 ( -1.588 0.618 4.508) 4.819 22.309 ( -14.399 10.534 -5.486) 18.665 22.607 ( 1.013 -0.075 0.989) 1.418 22.634 ( 0.503 -0.274 1.299) 1.419 22.924 ( -0.139 1.242 0.052) 1.251 22.990 ( 6.033 0.462 0.915) 6.119 23.260 ( 18.569 3.480 9.689) 21.231 24.338 ( -6.496 -12.286 -30.540) 33.554 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 21.689 12.180 -7.067) 25.859 1.014 ( 17.422 -17.858 4.805) 25.407 1.667 ( 1.425 -30.770 2.842) 30.934 2.002 ( 5.690 -9.242 -3.818) 11.505 2.131 ( 8.079 -4.949 -6.068) 11.251 2.325 ( 1.117 -7.244 8.273) 11.053 2.651 ( 8.658 -7.634 2.539) 11.819 2.807 ( 10.881 -5.537 -0.917) 12.243 2.884 ( 2.152 4.442 1.481) 5.154 3.238 ( 2.167 1.532 -1.358) 2.981 3.279 ( -2.030 -5.277 -1.407) 5.827 3.399 ( -5.498 0.339 -2.546) 6.069 3.566 ( -2.645 -3.975 11.806) 12.735 3.618 ( 7.237 -1.370 0.819) 7.411 3.766 ( 0.861 -3.147 -4.768) 5.777 3.953 ( -4.107 9.592 -0.845) 10.468 4.060 ( 2.525 6.524 1.342) 7.124 4.227 ( 4.191 4.783 4.346) 7.702 4.409 ( -6.041 0.907 -2.377) 6.555 4.495 ( -6.338 -0.087 -1.251) 6.461 4.615 ( 2.165 1.036 -2.106) 3.193 4.695 ( -0.271 4.474 -7.033) 8.340 4.920 ( 1.623 -3.948 3.827) 5.733 5.038 ( 5.026 -0.788 -0.173) 5.090 5.151 ( -0.340 1.328 4.200) 4.418 5.245 ( 6.196 0.480 1.320) 6.353 5.297 ( 2.667 -3.541 -2.163) 4.933 5.366 ( -0.999 5.833 2.609) 6.467 5.452 ( -5.703 -2.519 8.663) 10.673 5.514 ( -1.688 1.312 1.977) 2.912 5.687 ( -0.593 5.920 -6.140) 8.549 5.698 ( 5.751 2.219 -7.324) 9.573 5.812 ( 3.378 -4.079 0.878) 5.368 6.004 ( 0.228 0.343 -7.864) 7.875 6.018 ( -1.146 -0.709 -5.191) 5.363 6.117 ( 0.333 1.669 2.440) 2.975 6.209 ( -0.698 -0.209 -3.142) 3.226 6.237 ( 2.589 4.919 -2.452) 6.075 6.382 ( -1.134 -0.841 -4.329) 4.553 6.438 ( -4.717 0.405 1.725) 5.039 6.505 ( 1.822 5.442 -0.514) 5.762 6.653 ( -1.032 2.252 0.679) 2.569 6.757 ( -2.017 -1.243 1.889) 3.030 6.879 ( 1.077 3.030 -5.975) 6.786 6.932 ( -4.734 1.375 1.124) 5.056 7.056 ( -2.058 -0.606 1.938) 2.891 7.141 ( 7.471 -0.778 -0.683) 7.542 7.249 ( 6.863 2.751 5.823) 9.411 7.345 ( -2.802 -8.998 -3.638) 10.102 7.470 ( 3.295 2.703 -0.297) 4.273 7.491 ( -4.147 -0.665 3.902) 5.733 7.622 ( -1.424 -5.953 0.827) 6.176 7.659 ( -0.933 -1.365 -2.983) 3.410 7.857 ( -0.920 2.721 3.610) 4.613 7.921 ( 2.286 -2.782 -1.270) 3.818 8.163 ( -0.489 -0.614 4.032) 4.107 8.248 ( -6.182 0.658 5.959) 8.612 8.615 ( -2.391 8.212 -5.311) 10.068 8.730 ( -0.704 4.888 5.017) 7.040 8.788 ( -0.573 8.865 -5.212) 10.299 9.655 ( -1.341 0.588 -1.668) 2.220 9.804 ( -8.491 2.925 -2.103) 9.224 9.859 ( -6.510 1.328 -2.101) 6.968 9.919 ( 1.228 3.836 10.388) 11.142 10.099 ( -0.090 -2.397 -0.633) 2.481 10.198 ( -1.914 4.148 0.626) 4.611 10.460 ( 5.461 -2.544 2.059) 6.366 10.592 ( -3.935 4.055 -2.761) 6.289 10.783 ( -3.903 -2.827 -1.296) 4.991 10.927 ( -6.344 -4.630 -2.597) 8.272 10.964 ( 3.580 -2.905 -0.644) 4.655 11.144 ( 4.313 3.993 4.581) 7.452 11.249 ( 1.271 -7.451 1.353) 7.679 11.471 ( -1.849 -6.751 -0.544) 7.021 16.776 ( 0.230 -0.884 -0.408) 1.001 16.855 ( -2.303 -3.251 -2.500) 4.704 19.756 ( 2.249 7.257 23.868) 25.048 20.400 ( 1.123 10.922 -7.460) 13.274 21.135 ( 4.781 -3.743 1.972) 6.384 21.524 ( 5.217 -5.623 -11.801) 14.074 21.639 ( 4.684 -2.024 -1.579) 5.342 21.851 ( -11.846 -5.489 0.205) 13.057 21.984 ( -6.223 9.860 -2.706) 11.970 22.075 ( -2.391 1.980 7.595) 8.205 22.628 ( 1.470 0.143 1.223) 1.918 22.652 ( 0.676 -0.946 0.052) 1.164 22.905 ( 0.005 1.465 0.165) 1.474 23.049 ( 3.030 -0.557 0.615) 3.141 23.505 ( 12.391 -0.172 14.923) 19.397 24.284 ( -1.964 -2.661 -19.530) 19.808 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 18.604 22.855 -3.573) 29.685 1.419 ( 7.737 -11.886 0.362) 14.187 1.834 ( -3.942 -13.936 -4.702) 15.227 2.108 ( -12.534 -12.921 11.866) 21.560 2.316 ( 6.706 -10.451 1.060) 12.463 2.529 ( 7.818 -1.649 -3.050) 8.552 2.724 ( 0.129 9.094 -5.442) 10.598 2.983 ( 10.264 -6.654 1.255) 12.296 3.117 ( 15.151 -9.238 4.026) 18.196 3.235 ( -2.319 -1.299 3.089) 4.075 3.279 ( -0.323 0.040 -1.506) 1.540 3.361 ( -1.155 -4.383 -0.143) 4.535 3.555 ( -0.869 3.127 5.469) 6.359 3.666 ( -0.581 2.859 -4.380) 5.263 3.752 ( -5.056 7.890 -0.830) 9.408 3.851 ( 3.464 -3.936 -1.684) 5.507 4.039 ( 2.473 1.002 -2.857) 3.909 4.241 ( -0.483 2.778 0.974) 2.983 4.357 ( 2.127 0.134 -0.778) 2.269 4.467 ( -3.316 -2.519 2.657) 4.940 4.620 ( 0.510 -0.921 -4.491) 4.612 4.680 ( 3.218 -2.998 3.189) 5.433 4.950 ( -0.297 2.822 -0.116) 2.840 5.067 ( -0.058 7.319 4.531) 8.608 5.149 ( -2.579 7.418 1.574) 8.010 5.158 ( 3.714 3.237 1.010) 5.029 5.326 ( -2.790 -0.168 1.130) 3.015 5.404 ( 3.011 -7.731 -1.196) 8.383 5.459 ( 2.876 3.464 1.913) 4.891 5.533 ( 1.699 -3.808 2.329) 4.776 5.647 ( 2.872 -1.218 -0.732) 3.204 5.788 ( 7.301 -2.730 -3.781) 8.663 5.862 ( -0.801 0.219 4.672) 4.746 5.987 ( 3.580 -2.168 -13.820) 14.440 6.047 ( -1.790 -3.037 -1.171) 3.714 6.088 ( 2.769 2.942 -4.611) 6.130 6.184 ( 1.278 0.622 -4.846) 5.050 6.207 ( 2.046 3.103 -1.739) 4.104 6.371 ( -4.756 1.286 1.668) 5.202 6.391 ( 2.009 -1.458 -3.045) 3.929 6.476 ( 0.377 1.851 3.482) 3.962 6.578 ( -2.677 3.037 -4.689) 6.195 6.785 ( -2.803 -2.733 4.628) 6.062 6.798 ( -6.927 2.629 0.649) 7.438 6.814 ( -2.984 3.413 -4.194) 6.176 7.111 ( 3.359 -2.733 3.152) 5.356 7.242 ( 4.005 -0.206 0.371) 4.027 7.303 ( 2.218 1.699 5.460) 6.133 7.385 ( -4.127 -6.157 -3.590) 8.235 7.434 ( -2.899 -2.113 3.126) 4.758 7.500 ( 3.641 4.201 1.919) 5.881 7.626 ( -0.202 1.791 -1.953) 2.658 7.677 ( -2.097 -3.163 2.976) 4.823 7.821 ( 2.148 3.394 1.023) 4.145 8.006 ( 1.401 -4.159 -0.848) 4.470 8.139 ( -3.051 2.332 1.908) 4.288 8.178 ( -8.203 -2.766 7.249) 11.291 8.457 ( -1.077 7.427 -5.124) 9.087 8.600 ( -2.114 11.694 -4.274) 12.629 8.688 ( -2.407 3.062 1.643) 4.227 9.588 ( -5.185 1.606 -1.497) 5.631 9.660 ( -4.907 3.006 -1.153) 5.869 9.796 ( -1.429 -2.077 -1.016) 2.718 9.938 ( 1.003 2.304 6.022) 6.525 10.066 ( -3.240 3.726 -1.136) 5.067 10.164 ( -1.555 -3.579 1.243) 4.095 10.417 ( -4.380 3.610 -2.475) 6.192 10.633 ( 6.678 -1.899 2.178) 7.276 10.790 ( -1.463 -3.059 0.789) 3.482 10.903 ( -2.185 -1.651 -2.119) 3.462 11.054 ( 3.875 -1.870 -0.320) 4.315 11.155 ( 3.261 3.237 1.636) 4.878 11.350 ( -0.037 -6.019 -0.427) 6.035 11.516 ( -1.898 -4.311 0.017) 4.711 16.793 ( 0.586 -0.857 -0.118) 1.045 16.860 ( -1.005 -2.156 -1.721) 2.936 19.799 ( 3.026 2.218 13.904) 14.401 20.229 ( -0.893 10.514 -8.779) 13.727 21.256 ( 4.371 -3.774 2.323) 6.225 21.610 ( -7.127 -0.764 0.484) 7.184 21.629 ( -0.461 -4.522 -12.575) 13.371 21.768 ( -1.247 -4.696 0.135) 4.860 21.895 ( 3.146 5.522 -0.966) 6.428 22.046 ( -3.315 1.396 8.314) 9.059 22.647 ( 0.995 0.285 0.771) 1.291 22.674 ( 0.793 -0.886 -0.447) 1.270 22.890 ( 0.293 1.214 0.195) 1.264 23.096 ( 1.704 -1.253 0.892) 2.295 23.691 ( 6.427 -0.619 13.807) 15.242 24.219 ( -0.299 0.311 -14.729) 14.735 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 9.236 12.834 -0.567) 15.823 1.488 ( -3.278 -2.170 -3.070) 4.988 2.019 ( 4.356 -7.960 1.103) 9.140 2.187 ( -5.671 -10.556 10.124) 15.687 2.440 ( 1.507 2.110 -6.751) 7.232 2.529 ( -0.156 2.031 -0.704) 2.156 2.676 ( 2.440 -1.359 -0.751) 2.892 3.057 ( 4.582 5.385 2.305) 7.437 3.198 ( -4.409 0.023 1.178) 4.564 3.267 ( 0.015 -1.326 -0.118) 1.331 3.354 ( 4.861 -2.398 1.845) 5.725 3.416 ( 0.083 0.449 -1.988) 2.040 3.536 ( -3.752 3.746 1.580) 5.532 3.599 ( -1.798 -0.122 -1.524) 2.360 3.727 ( 4.808 -6.426 1.261) 8.124 3.950 ( 4.761 -2.350 -1.864) 5.628 4.036 ( 0.105 -0.548 -5.858) 5.885 4.197 ( -0.923 0.326 -0.126) 0.987 4.410 ( 2.235 -1.262 -1.869) 3.175 4.474 ( -0.344 -0.359 4.843) 4.869 4.567 ( -1.497 1.806 -1.288) 2.677 4.672 ( -6.749 6.173 2.981) 9.619 4.936 ( -0.988 0.331 -0.959) 1.416 5.029 ( 8.583 0.710 2.297) 8.913 5.121 ( 0.949 0.830 -0.289) 1.293 5.161 ( -2.807 0.182 1.625) 3.249 5.332 ( 4.933 -2.093 2.016) 5.726 5.430 ( 0.367 1.952 -0.727) 2.115 5.544 ( -5.294 -3.559 7.747) 10.035 5.555 ( 5.088 2.717 -7.123) 9.166 5.734 ( 2.967 -4.682 -1.424) 5.723 5.813 ( -2.024 3.207 3.440) 5.120 5.961 ( 6.100 -4.114 4.215) 8.480 5.991 ( -0.027 -2.620 -4.964) 5.613 6.045 ( 1.082 -0.257 -6.726) 6.818 6.108 ( 0.030 -0.412 -1.194) 1.263 6.162 ( -0.118 4.789 -1.547) 5.034 6.199 ( 1.238 -2.386 -4.249) 5.028 6.293 ( -2.388 2.544 0.918) 3.607 6.431 ( 3.848 1.611 -5.662) 7.033 6.487 ( -2.173 -2.311 7.707) 8.334 6.520 ( 0.462 -0.160 -4.338) 4.366 6.682 ( -4.643 2.043 2.156) 5.511 6.714 ( -2.364 1.499 -1.026) 2.981 6.811 ( -1.188 -1.424 1.565) 2.427 7.190 ( 2.786 -0.269 1.396) 3.128 7.230 ( -0.971 2.180 -0.703) 2.488 7.307 ( -4.555 -4.197 1.144) 6.298 7.387 ( 0.780 0.123 3.527) 3.614 7.443 ( 0.208 5.264 -2.473) 5.820 7.512 ( -0.784 -6.191 2.956) 6.906 7.606 ( 1.000 3.556 -2.566) 4.497 7.688 ( 1.623 0.598 2.875) 3.355 7.833 ( 0.972 -0.495 0.379) 1.155 8.040 ( -0.076 -1.061 -1.591) 1.914 8.084 ( -1.177 2.539 0.219) 2.807 8.155 ( -3.760 -3.591 8.698) 10.134 8.338 ( -2.623 4.307 -10.642) 11.776 8.496 ( 5.193 3.547 2.514) 6.773 8.593 ( -5.798 2.771 -0.813) 6.478 9.515 ( -2.185 0.429 -0.797) 2.365 9.586 ( -1.681 1.284 0.076) 2.117 9.830 ( 1.212 -2.020 -0.526) 2.414 9.916 ( -1.486 1.785 1.894) 2.997 9.999 ( -0.821 1.583 0.623) 1.889 10.195 ( -0.517 -2.112 0.079) 2.176 10.334 ( -1.500 1.419 -1.397) 2.492 10.742 ( 4.923 -0.919 3.196) 5.941 10.802 ( -4.005 -3.375 -1.173) 5.367 10.880 ( 0.722 2.322 -0.971) 2.618 11.110 ( 2.001 -0.543 1.170) 2.381 11.161 ( 1.130 0.872 -1.068) 1.783 11.398 ( -0.436 -2.335 -0.395) 2.408 11.534 ( -0.812 -1.499 0.107) 1.708 16.808 ( 0.331 -0.357 0.026) 0.487 16.868 ( -0.279 -0.826 -0.612) 1.065 19.880 ( 2.888 -1.378 8.407) 8.996 20.062 ( -2.236 6.044 -7.412) 9.822 21.360 ( 3.265 -3.147 2.270) 5.071 21.464 ( -6.538 1.906 -1.617) 7.000 21.691 ( 1.860 -2.494 -5.225) 6.081 21.827 ( -2.004 -5.011 3.527) 6.447 21.866 ( 3.928 5.173 -4.016) 7.637 22.016 ( -2.176 0.680 4.577) 5.113 22.654 ( 0.302 0.157 0.226) 0.409 22.689 ( 0.349 -0.352 -0.258) 0.559 22.883 ( 0.189 0.472 0.075) 0.514 23.128 ( 0.580 -0.648 0.458) 0.983 23.792 ( 1.917 -0.388 6.275) 6.573 24.170 ( 0.073 0.521 -6.404) 6.426 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 23.133 0.000 2.713) 23.292 0.760 ( 26.541 0.000 0.669) 26.550 1.173 ( 36.494 0.000 4.802) 36.808 1.985 ( -0.195 -0.000 -19.646) 19.647 2.000 ( 18.502 0.000 0.885) 18.523 2.236 ( -0.733 -0.000 11.362) 11.385 2.646 ( 3.573 0.000 -0.503) 3.609 2.677 ( 14.464 0.000 1.737) 14.568 2.961 ( 0.682 0.000 1.947) 2.063 3.122 ( 2.297 0.000 6.777) 7.156 3.285 ( 3.967 0.000 2.086) 4.482 3.436 ( 1.962 0.000 -3.846) 4.318 3.468 ( -2.842 -0.000 11.341) 11.692 3.612 ( 4.034 0.000 2.041) 4.521 3.729 ( 0.838 0.000 -6.646) 6.698 4.081 ( -0.119 -0.000 2.239) 2.242 4.187 ( 2.560 0.000 -2.039) 3.273 4.328 ( -3.911 -0.000 -3.161) 5.029 4.345 ( -3.164 -0.000 -0.226) 3.172 4.528 ( -4.574 -0.000 -2.444) 5.186 4.719 ( -5.571 -0.000 1.821) 5.861 4.783 ( 2.394 0.000 -0.780) 2.518 4.838 ( 0.157 0.000 -2.078) 2.084 5.099 ( 1.117 0.000 -4.081) 4.231 5.117 ( 8.259 0.000 -4.325) 9.322 5.182 ( 0.228 0.000 2.078) 2.091 5.280 ( 4.860 0.000 -1.275) 5.025 5.310 ( -4.871 -0.000 10.208) 11.311 5.392 ( -8.169 -0.000 9.579) 12.589 5.709 ( 8.236 0.000 -11.890) 14.464 5.728 ( 5.084 0.000 -4.756) 6.962 5.739 ( 4.904 0.000 -7.060) 8.596 5.835 ( -4.961 -0.000 1.481) 5.177 5.874 ( -5.238 -0.000 -3.662) 6.391 6.113 ( 2.208 0.000 2.854) 3.608 6.164 ( -1.675 -0.000 -5.706) 5.947 6.222 ( -0.799 -0.000 0.914) 1.214 6.286 ( 1.760 0.000 1.313) 2.195 6.286 ( -4.686 -0.000 -2.898) 5.510 6.413 ( -3.296 -0.000 3.460) 4.779 6.606 ( 2.015 0.000 3.359) 3.917 6.671 ( -5.946 -0.000 -3.895) 7.108 6.797 ( -6.963 -0.000 2.610) 7.436 6.917 ( -5.431 -0.000 2.191) 5.857 6.978 ( -2.211 -0.000 1.477) 2.659 7.044 ( 1.261 0.000 0.759) 1.471 7.057 ( 7.286 0.000 -21.439) 22.643 7.225 ( 3.852 0.000 1.799) 4.252 7.313 ( 6.783 0.000 8.155) 10.607 7.437 ( -5.329 -0.000 1.158) 5.453 7.530 ( -1.325 -0.000 -0.122) 1.331 7.559 ( 5.050 0.000 -1.689) 5.325 7.679 ( 1.771 0.000 2.665) 3.200 7.749 ( -0.409 -0.000 1.120) 1.192 7.991 ( -0.534 -0.000 0.253) 0.591 8.107 ( -0.888 -0.000 4.774) 4.855 8.275 ( -9.979 -0.000 5.563) 11.425 8.726 ( 1.578 0.000 -3.190) 3.559 8.757 ( -6.144 -0.000 -3.460) 7.051 9.024 ( 4.570 0.000 -14.852) 15.540 9.666 ( -1.566 -0.000 -4.643) 4.899 9.809 ( -9.891 -0.000 -3.435) 10.470 9.913 ( -6.447 -0.000 1.667) 6.659 10.045 ( -4.610 -0.000 6.185) 7.714 10.178 ( -5.562 -0.000 17.834) 18.681 10.373 ( 9.614 0.000 -4.130) 10.463 10.385 ( 4.587 0.000 0.981) 4.690 10.472 ( -2.594 -0.000 5.392) 5.984 10.698 ( -2.222 -0.000 -0.902) 2.398 10.833 ( -3.866 -0.000 -6.936) 7.940 10.938 ( -1.768 -0.000 0.346) 1.801 11.081 ( 1.386 0.000 3.147) 3.439 11.216 ( 4.407 0.000 6.562) 7.904 11.275 ( -4.465 -0.000 -1.879) 4.844 16.762 ( 0.334 0.000 -1.553) 1.588 16.793 ( 0.406 0.000 -0.188) 0.447 19.939 ( -12.265 -0.000 43.566) 45.260 20.536 ( -0.103 -0.000 -11.717) 11.717 21.083 ( 6.345 0.000 1.124) 6.444 21.421 ( 3.720 0.000 -10.617) 11.250 21.612 ( 5.107 0.000 0.871) 5.181 21.787 ( -14.299 -0.000 1.932) 14.429 22.088 ( -2.194 -0.000 7.499) 7.813 22.323 ( -4.150 -0.000 -6.689) 7.872 22.632 ( 1.910 0.000 1.613) 2.500 22.639 ( 0.655 0.000 0.023) 0.655 22.921 ( -0.432 -0.000 -1.760) 1.812 23.072 ( 3.203 0.000 1.112) 3.391 23.542 ( 9.515 0.000 13.546) 16.554 24.086 ( 5.489 0.000 -31.443) 31.919 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 26.233 -0.103 -0.339) 26.235 1.124 ( 21.057 -5.682 2.743) 21.982 1.574 ( 15.561 1.738 2.112) 15.800 1.934 ( -1.642 -2.460 -10.640) 11.043 2.173 ( 2.894 1.324 4.158) 5.236 2.393 ( 21.921 -11.089 -0.645) 24.575 2.797 ( 17.642 2.276 -1.205) 17.829 2.931 ( 1.879 2.869 1.822) 3.883 2.975 ( 16.324 -5.058 -0.525) 17.098 3.205 ( 0.725 -1.216 12.333) 12.414 3.299 ( -0.076 0.743 3.538) 3.616 3.399 ( -0.391 5.271 -0.920) 5.365 3.510 ( -0.349 -4.253 5.515) 6.973 3.744 ( 6.689 -0.634 -2.769) 7.267 3.748 ( 7.361 -0.238 0.916) 7.421 4.012 ( -3.277 7.808 -1.037) 8.531 4.163 ( -0.035 3.362 -5.747) 6.659 4.282 ( -2.249 -2.338 4.236) 5.335 4.361 ( -0.717 3.235 0.145) 3.317 4.420 ( -3.606 1.061 0.476) 3.789 4.616 ( -2.420 2.275 -2.262) 4.018 4.770 ( 0.192 5.510 -7.203) 9.071 4.870 ( 0.134 -6.374 -0.851) 6.432 5.057 ( 2.491 -0.306 -3.794) 4.550 5.198 ( -0.155 -0.559 2.570) 2.635 5.226 ( -3.509 -0.090 6.542) 7.424 5.280 ( -2.858 -4.086 -2.549) 5.600 5.330 ( 0.675 -6.527 -1.597) 6.753 5.420 ( 4.303 -0.998 4.656) 6.418 5.619 ( -1.535 11.120 0.634) 11.244 5.707 ( -2.719 1.556 3.813) 4.935 5.791 ( 7.333 2.475 -14.777) 16.681 5.859 ( 7.669 -0.363 -5.219) 9.283 5.880 ( -2.384 -6.873 -0.562) 7.296 6.038 ( -1.835 6.564 -6.139) 9.173 6.149 ( -1.100 0.647 4.322) 4.507 6.178 ( -0.801 -0.977 -2.201) 2.538 6.280 ( -1.955 -0.953 -1.651) 2.731 6.329 ( 2.577 -1.835 -2.341) 3.935 6.381 ( -3.743 -0.642 2.761) 4.695 6.607 ( 0.144 2.428 0.135) 2.436 6.639 ( -3.966 -0.140 2.012) 4.450 6.699 ( -3.850 1.396 3.149) 5.166 6.791 ( -8.815 0.109 4.085) 9.716 6.936 ( -4.291 4.419 -4.457) 7.603 7.027 ( 1.715 -3.316 -0.944) 3.851 7.175 ( 3.764 -7.378 -7.447) 11.138 7.255 ( 1.284 2.309 1.497) 3.037 7.381 ( -4.954 -2.625 -0.842) 5.669 7.415 ( 2.842 -0.244 7.065) 7.619 7.516 ( -0.330 0.304 2.985) 3.019 7.616 ( 4.275 1.292 -1.059) 4.589 7.663 ( 1.993 3.318 0.729) 3.938 7.834 ( 1.450 -6.472 2.758) 7.183 7.957 ( 0.599 2.733 -3.029) 4.123 8.113 ( -9.002 -1.884 7.919) 12.136 8.157 ( -4.540 -0.677 2.523) 5.238 8.622 ( -7.245 3.736 -5.116) 9.624 8.747 ( 1.999 1.466 -2.000) 3.185 8.936 ( -0.988 10.304 -6.355) 12.146 9.629 ( -2.025 0.067 -2.758) 3.422 9.666 ( -8.292 -0.528 -5.579) 10.008 9.807 ( -6.175 2.084 1.496) 6.687 9.987 ( -5.146 1.718 9.886) 11.276 10.140 ( 2.389 4.140 3.070) 5.681 10.260 ( -2.626 8.838 0.125) 9.220 10.484 ( 2.393 -1.392 -0.739) 2.866 10.616 ( -3.682 3.117 -3.052) 5.709 10.662 ( 5.699 -7.096 2.910) 9.555 10.816 ( -1.348 -4.294 -1.974) 4.914 10.960 ( 1.753 -5.145 0.563) 5.464 11.142 ( -1.289 -6.088 1.498) 6.400 11.238 ( -3.438 -2.465 -0.876) 4.321 11.292 ( -0.755 -5.116 2.317) 5.666 16.768 ( 0.687 -0.714 -1.672) 1.944 16.812 ( 0.893 -1.206 -0.015) 1.500 19.903 ( -5.497 4.159 25.390) 26.309 20.433 ( -4.816 3.787 -13.482) 14.809 21.191 ( 6.712 -1.280 1.799) 7.066 21.476 ( 4.679 -4.169 -8.255) 10.364 21.613 ( -10.731 -0.126 2.105) 10.936 21.690 ( 4.219 -1.011 1.178) 4.496 22.079 ( -1.966 1.494 8.294) 8.654 22.200 ( 4.270 12.260 -5.522) 14.108 22.655 ( 1.552 -0.133 -0.557) 1.655 22.661 ( 1.669 0.256 1.102) 2.016 22.907 ( -0.218 0.368 -2.299) 2.338 23.100 ( 2.733 1.201 1.279) 3.247 23.685 ( 4.696 0.368 15.900) 16.583 24.096 ( -1.004 -7.961 -21.227) 22.693 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 21.355 22.785 -6.325) 31.862 1.511 ( 18.223 -3.079 6.034) 19.441 1.701 ( 10.877 -3.989 -0.858) 11.617 1.925 ( -2.681 -5.357 9.892) 11.564 2.312 ( 9.076 -6.258 -4.158) 11.782 2.724 ( 13.630 7.449 -3.501) 15.923 2.839 ( 1.326 6.747 -3.213) 7.589 3.039 ( 11.961 -7.164 0.720) 13.961 3.258 ( 4.718 0.631 8.680) 9.900 3.295 ( 13.059 -1.764 1.972) 13.324 3.321 ( 3.596 3.863 1.908) 5.612 3.358 ( 6.934 -1.369 3.700) 7.977 3.555 ( -0.062 -0.775 2.420) 2.542 3.744 ( -3.898 11.031 -4.000) 12.364 3.799 ( 1.322 7.143 -0.778) 7.306 3.880 ( 5.924 -0.169 -3.520) 6.893 4.067 ( -2.934 3.719 -5.640) 7.366 4.210 ( -4.407 2.557 -2.389) 5.628 4.381 ( 3.584 -5.403 5.564) 8.544 4.428 ( -0.760 1.188 -1.659) 2.177 4.614 ( -0.061 -0.356 -0.545) 0.654 4.690 ( 0.022 -0.149 1.678) 1.684 4.927 ( -1.855 -3.655 -3.047) 5.107 5.128 ( -3.230 -0.533 -1.319) 3.529 5.137 ( -2.859 1.169 4.294) 5.289 5.242 ( -3.054 -7.803 -4.955) 9.735 5.266 ( 3.138 1.290 -0.036) 3.393 5.385 ( 1.500 3.759 2.699) 4.865 5.459 ( -3.601 0.650 3.838) 5.303 5.563 ( 6.429 -1.300 -2.998) 7.211 5.687 ( 0.899 0.783 0.725) 1.395 5.800 ( -0.275 -2.824 -0.644) 2.909 5.907 ( -1.488 0.347 5.672) 5.874 5.932 ( 3.422 -2.178 -8.044) 9.009 5.994 ( 5.691 -1.201 -9.498) 11.137 6.124 ( -1.131 1.163 -1.289) 2.072 6.196 ( 0.645 1.055 -2.031) 2.378 6.249 ( 0.873 0.454 -2.550) 2.733 6.315 ( -5.729 -2.216 3.973) 7.316 6.400 ( 3.527 0.198 -3.422) 4.918 6.530 ( -0.222 4.273 -1.218) 4.448 6.581 ( -3.661 4.310 5.386) 7.810 6.686 ( -5.484 -3.576 2.200) 6.907 6.720 ( -5.757 -2.403 4.794) 7.868 6.814 ( -2.788 4.194 -0.119) 5.037 7.109 ( 1.108 -6.169 0.098) 6.268 7.231 ( -2.220 -2.594 -1.970) 3.942 7.255 ( -1.672 0.980 1.348) 2.361 7.337 ( -1.388 -1.906 -2.499) 3.436 7.461 ( 1.939 1.377 5.564) 6.051 7.526 ( -3.807 -3.825 0.731) 5.446 7.616 ( -0.101 2.651 -1.013) 2.840 7.683 ( 5.295 2.118 -0.913) 5.775 7.905 ( 1.752 1.262 0.387) 2.194 7.956 ( 1.047 -3.831 -2.861) 4.895 8.044 ( -7.238 -3.806 9.438) 12.488 8.147 ( -1.804 1.103 4.846) 5.288 8.444 ( -6.628 3.942 -8.803) 11.703 8.687 ( -4.367 4.073 -5.241) 7.945 8.727 ( -4.098 11.691 -1.204) 12.447 9.540 ( -3.544 1.527 -1.554) 4.160 9.624 ( -1.721 -0.450 -2.569) 3.125 9.749 ( -1.271 -1.221 1.152) 2.105 9.958 ( -2.746 -0.550 3.463) 4.454 10.114 ( -3.468 3.876 0.610) 5.237 10.142 ( 0.744 3.599 4.138) 5.534 10.411 ( -2.887 5.169 -0.713) 5.963 10.625 ( -0.686 -5.535 -1.735) 5.841 10.781 ( 5.213 0.406 1.219) 5.369 10.878 ( 2.961 -3.222 -0.177) 4.379 11.080 ( 4.077 -3.662 0.860) 5.547 11.188 ( -3.444 -3.829 -2.299) 5.640 11.216 ( -5.231 -6.407 0.839) 8.313 11.362 ( -2.684 -8.501 0.034) 8.915 16.784 ( 0.741 -1.097 -1.694) 2.149 16.845 ( 1.575 -0.864 0.937) 2.026 19.888 ( -2.088 1.895 15.725) 15.975 20.226 ( -9.411 4.992 -11.974) 16.027 21.296 ( 5.027 -1.737 1.920) 5.655 21.505 ( -1.503 0.971 -2.014) 2.694 21.597 ( 5.018 -3.295 -2.264) 6.416 21.759 ( 3.205 -0.767 1.905) 3.806 22.061 ( -0.372 2.551 5.703) 6.259 22.101 ( 6.020 11.421 -3.794) 13.457 22.670 ( 1.016 0.770 0.179) 1.287 22.681 ( 1.491 -0.063 -0.489) 1.571 22.887 ( -0.542 0.432 -2.785) 2.870 23.135 ( 3.151 0.550 1.554) 3.556 23.767 ( -1.067 -0.914 12.774) 12.851 24.092 ( -3.516 -6.469 -13.601) 15.466 ======================= Grid point 13 (9/95) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 15.333 32.819 -4.177) 36.464 1.677 ( 18.510 11.187 5.663) 22.357 1.992 ( 7.725 -6.096 -0.217) 9.843 2.084 ( 7.003 -10.822 12.946) 18.269 2.462 ( 6.363 -1.611 -8.122) 10.443 2.656 ( 3.492 9.355 1.114) 10.048 2.811 ( 9.428 9.635 -6.975) 15.177 3.165 ( -3.367 7.329 -0.477) 8.079 3.228 ( 7.377 -0.985 -0.056) 7.443 3.343 ( 2.156 6.624 2.893) 7.543 3.410 ( 7.441 1.362 6.459) 9.947 3.505 ( 0.675 5.592 -0.932) 5.709 3.575 ( -0.851 10.067 2.223) 10.345 3.609 ( 2.864 3.762 -3.139) 5.676 3.720 ( 8.502 -8.074 0.438) 11.733 3.985 ( 5.180 0.342 -5.339) 7.447 4.011 ( -1.028 -1.728 -4.174) 4.633 4.165 ( -0.030 -1.145 -0.817) 1.407 4.404 ( -0.357 -1.904 2.583) 3.229 4.483 ( -1.199 0.135 1.061) 1.607 4.570 ( -1.259 1.887 1.259) 2.594 4.686 ( -2.278 3.777 4.531) 6.324 4.904 ( -2.638 -1.585 -2.367) 3.882 5.077 ( -4.184 -0.614 -2.325) 4.826 5.096 ( -4.461 2.700 1.769) 5.507 5.156 ( 0.702 0.431 -4.490) 4.565 5.354 ( 0.033 0.016 -3.099) 3.099 5.399 ( 0.761 -3.777 -2.566) 4.629 5.441 ( -6.020 -2.739 2.815) 7.188 5.586 ( -1.019 0.866 -4.968) 5.145 5.716 ( 1.245 -3.497 1.700) 4.083 5.867 ( 1.065 1.060 9.991) 10.104 5.887 ( -5.293 -4.134 -0.025) 6.716 6.001 ( 5.925 -4.176 -0.909) 7.305 6.050 ( 1.989 1.640 -5.352) 5.940 6.092 ( -1.196 -0.018 0.678) 1.375 6.175 ( 0.151 -0.940 -5.223) 5.310 6.222 ( -1.480 4.523 3.068) 5.662 6.283 ( -2.319 -0.145 0.677) 2.420 6.429 ( -1.047 -1.688 -0.608) 2.078 6.493 ( -0.105 4.514 1.282) 4.694 6.527 ( 1.559 -1.918 1.271) 2.779 6.662 ( -1.442 -1.874 1.983) 3.086 6.724 ( -0.900 1.373 6.263) 6.475 6.782 ( 1.507 -1.235 0.947) 2.166 7.164 ( -5.631 -1.915 -1.102) 6.049 7.183 ( -3.464 -3.129 -2.301) 5.204 7.254 ( 3.434 -1.143 3.165) 4.808 7.368 ( -1.052 -3.007 -1.683) 3.603 7.492 ( -1.394 -0.218 -1.800) 2.287 7.496 ( 1.060 -0.219 1.527) 1.872 7.566 ( -4.140 -0.391 -1.152) 4.315 7.693 ( 2.280 3.884 -2.096) 4.968 7.911 ( 1.652 1.705 -4.452) 5.046 8.016 ( 2.419 -2.750 1.744) 4.056 8.039 ( -5.690 -0.994 5.617) 8.057 8.146 ( 1.343 -2.145 5.064) 5.661 8.311 ( -2.420 1.566 -6.002) 6.658 8.513 ( -9.409 3.059 -6.658) 11.925 8.590 ( -0.374 3.453 1.581) 3.816 9.509 ( 0.672 -0.026 -1.090) 1.281 9.598 ( 0.461 1.397 0.194) 1.484 9.783 ( 0.257 -3.016 -1.246) 3.274 9.928 ( -1.329 1.330 0.260) 1.898 10.044 ( 0.230 2.871 -0.514) 2.926 10.157 ( -1.324 -2.786 6.042) 6.784 10.345 ( -0.307 2.099 1.879) 2.834 10.665 ( -2.722 -5.066 -3.328) 6.644 10.838 ( 4.893 1.524 0.953) 5.213 10.921 ( 1.586 1.749 -1.966) 3.073 11.119 ( -1.259 -0.125 0.570) 1.387 11.142 ( -4.313 -1.224 -1.528) 4.737 11.298 ( -2.276 -9.493 2.471) 10.071 11.433 ( -2.268 -7.825 -1.548) 8.293 16.799 ( 0.314 -0.823 -1.535) 1.770 16.880 ( 2.020 0.044 1.860) 2.746 19.906 ( -1.887 -0.276 9.365) 9.558 20.001 ( -9.632 1.722 -8.392) 12.891 21.398 ( 5.440 -1.685 1.022) 5.786 21.473 ( 3.454 4.197 -1.508) 5.641 21.692 ( 2.887 -1.674 2.189) 3.991 21.810 ( 1.994 -0.118 3.465) 4.000 22.027 ( 4.598 9.176 -1.928) 10.443 22.054 ( 4.145 3.853 -1.319) 5.811 22.666 ( 0.137 0.990 0.291) 1.041 22.696 ( 1.071 0.276 -0.382) 1.170 22.863 ( -1.213 -0.396 -3.198) 3.443 23.170 ( 2.990 1.751 0.940) 3.590 23.770 ( -5.104 -1.726 2.115) 5.788 24.084 ( -4.869 -5.895 -1.813) 7.858 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 18.463 33.811 -3.005) 38.641 1.771 ( 12.649 15.877 6.865) 21.430 2.023 ( -1.951 1.264 -1.480) 2.756 2.355 ( 10.800 -1.883 6.350) 12.669 2.501 ( 12.391 6.518 -8.374) 16.314 2.635 ( 2.843 3.282 0.916) 4.438 2.768 ( 6.081 12.631 -4.397) 14.692 3.006 ( -1.157 4.742 -0.053) 4.882 3.276 ( 0.103 4.645 -1.231) 4.807 3.326 ( 5.010 4.728 -0.996) 6.960 3.380 ( -2.812 7.189 1.900) 7.949 3.477 ( 4.848 1.315 1.878) 5.363 3.571 ( 8.434 1.197 0.327) 8.524 3.645 ( 3.239 0.441 -1.468) 3.584 3.768 ( -3.883 8.798 2.294) 9.886 3.923 ( -3.166 3.520 -2.225) 5.231 4.080 ( 2.483 -2.426 5.298) 6.334 4.159 ( -2.670 0.143 -1.706) 3.172 4.408 ( -4.596 3.230 5.534) 7.886 4.465 ( 2.942 -3.064 -3.521) 5.517 4.582 ( 3.014 -0.553 0.908) 3.196 4.687 ( 6.691 -4.599 0.125) 8.120 4.871 ( -12.085 0.462 -4.864) 13.035 4.941 ( -2.124 1.724 0.473) 2.776 5.054 ( -4.330 -1.573 -0.131) 4.609 5.143 ( -4.642 0.270 -3.733) 5.963 5.323 ( 1.031 -0.235 -3.161) 3.333 5.341 ( -3.862 -2.470 -4.369) 6.333 5.457 ( -3.907 -5.418 1.275) 6.801 5.553 ( -3.897 0.392 -3.164) 5.035 5.759 ( -1.995 -1.679 -0.184) 2.614 5.833 ( 1.341 3.736 3.501) 5.292 5.902 ( -2.718 -2.028 -3.494) 4.869 5.966 ( -6.076 3.299 -0.402) 6.925 6.064 ( -2.449 -0.164 9.545) 9.856 6.112 ( -4.023 0.591 1.236) 4.250 6.129 ( -2.323 3.554 3.577) 5.552 6.224 ( 2.582 -4.598 4.833) 7.153 6.297 ( 3.195 -1.347 -1.044) 3.621 6.395 ( -3.018 -0.242 9.626) 10.091 6.500 ( 3.005 1.263 -9.547) 10.088 6.560 ( 0.264 1.471 6.914) 7.074 6.717 ( 2.357 -3.769 1.948) 4.854 6.742 ( 3.004 0.149 3.637) 4.719 6.828 ( 2.771 -0.185 -2.588) 3.796 7.136 ( -4.140 -4.901 3.323) 7.225 7.169 ( -0.968 -0.987 -7.677) 7.801 7.316 ( -3.915 -0.486 -3.135) 5.039 7.342 ( -2.079 -3.874 -4.867) 6.559 7.472 ( 1.244 -0.327 0.660) 1.446 7.505 ( -1.897 0.637 -0.350) 2.031 7.586 ( 3.648 -4.170 -0.981) 5.627 7.651 ( 2.956 5.160 -0.738) 5.992 7.870 ( -0.895 2.151 -3.603) 4.291 8.004 ( -2.545 -2.425 -0.573) 3.562 8.079 ( 1.087 -2.267 2.014) 3.222 8.231 ( 6.167 -0.707 -3.927) 7.346 8.322 ( -4.596 -3.174 1.958) 5.918 8.386 ( -0.152 -3.618 3.395) 4.964 8.607 ( 1.384 -2.674 -0.132) 3.014 9.545 ( 2.976 -2.348 -1.160) 3.964 9.614 ( 3.262 0.091 0.015) 3.263 9.802 ( 0.059 -1.081 -1.830) 2.126 9.909 ( -0.039 0.559 -0.238) 0.608 10.046 ( 4.021 0.671 -0.530) 4.111 10.204 ( -0.580 -2.372 5.400) 5.927 10.355 ( 1.996 -0.511 2.936) 3.587 10.641 ( -5.865 -1.903 -4.646) 7.720 10.861 ( -1.659 2.686 -4.382) 5.401 10.895 ( 3.842 0.398 0.535) 3.900 11.088 ( -3.951 -0.233 2.171) 4.514 11.110 ( -2.263 -1.000 -0.134) 2.477 11.368 ( -3.124 -4.530 3.330) 6.432 11.486 ( -1.601 -5.337 -2.891) 6.277 16.801 ( -0.180 -0.186 -1.137) 1.166 16.908 ( 2.214 1.294 2.377) 3.496 19.799 ( -7.749 1.427 -6.376) 10.136 19.988 ( -2.557 -6.902 5.849) 9.401 21.380 ( -0.806 5.372 -2.288) 5.894 21.592 ( 13.611 -0.959 1.174) 13.696 21.711 ( -3.449 1.382 9.199) 9.921 21.830 ( -0.466 1.675 4.183) 4.530 21.983 ( 9.011 8.351 -6.943) 14.112 22.069 ( 5.784 3.341 -2.466) 7.120 22.653 ( -0.412 0.781 0.110) 0.890 22.697 ( 0.224 0.945 0.224) 0.997 22.847 ( -1.162 -1.588 -3.532) 4.042 23.166 ( 1.066 3.543 -0.120) 3.701 23.690 ( -7.837 -1.061 -7.684) 11.027 24.110 ( -5.313 -7.089 8.135) 12.028 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 21.480 27.099 -2.122) 34.644 1.538 ( -8.454 21.162 -2.037) 22.879 2.049 ( 7.965 3.439 5.310) 10.172 2.391 ( 1.677 15.375 0.629) 15.479 2.522 ( 16.270 14.992 -11.382) 24.880 2.639 ( 4.643 15.398 1.055) 16.117 2.676 ( 2.152 -2.331 3.830) 4.974 2.973 ( -0.995 5.306 0.690) 5.443 3.098 ( -11.570 19.014 -3.452) 22.523 3.260 ( -2.119 5.628 2.269) 6.427 3.344 ( 2.263 0.677 3.761) 4.441 3.423 ( -3.160 0.133 -5.954) 6.742 3.544 ( 4.923 4.813 5.718) 8.949 3.706 ( 2.866 -0.868 -1.858) 3.524 3.738 ( 4.291 -1.292 1.529) 4.735 3.895 ( 2.792 3.244 0.328) 4.292 4.034 ( -4.369 6.309 0.509) 7.691 4.116 ( -7.203 -4.554 -3.676) 9.281 4.358 ( 1.674 -0.343 3.791) 4.158 4.543 ( 3.209 3.270 -2.024) 5.009 4.625 ( -3.017 -0.696 -4.541) 5.496 4.689 ( 0.543 1.463 11.363) 11.470 4.895 ( 2.820 -6.726 -2.256) 7.634 4.937 ( -0.788 -10.871 -5.026) 12.003 5.011 ( -4.331 -3.367 -0.075) 5.486 5.128 ( -0.347 -1.433 -1.830) 2.350 5.306 ( -5.890 -5.382 -4.764) 9.292 5.359 ( 0.353 -0.924 -3.020) 3.178 5.434 ( -2.727 3.661 3.255) 5.606 5.483 ( -2.622 -4.285 -2.243) 5.502 5.706 ( 0.322 4.900 1.055) 5.023 5.762 ( -5.656 5.839 -0.996) 8.190 5.859 ( 1.335 -0.847 -4.077) 4.373 5.956 ( -4.381 -5.918 3.749) 8.262 6.012 ( -5.368 2.724 8.750) 10.621 6.052 ( -5.062 -0.842 5.490) 7.515 6.088 ( -3.083 -4.984 -0.837) 5.919 6.293 ( 2.306 6.001 8.798) 10.897 6.382 ( 0.370 -2.333 1.187) 2.644 6.403 ( 2.696 -0.910 -3.933) 4.855 6.476 ( 1.987 1.287 0.662) 2.459 6.593 ( 0.138 -1.871 8.995) 9.189 6.780 ( -2.384 -1.366 3.613) 4.539 6.814 ( 0.891 -1.813 -0.656) 2.124 6.840 ( 4.475 -1.878 -3.290) 5.863 7.095 ( -6.633 -0.556 -7.414) 9.963 7.160 ( -0.319 0.991 0.718) 1.265 7.210 ( -4.692 -0.180 -7.424) 8.785 7.352 ( -3.975 -6.995 -4.659) 9.298 7.492 ( -0.521 -0.307 0.514) 0.794 7.535 ( 7.034 2.505 2.709) 7.943 7.652 ( 1.746 -1.427 -2.749) 3.556 7.693 ( 7.795 0.524 3.488) 8.555 7.817 ( -1.433 2.775 0.436) 3.153 8.003 ( -2.471 -0.662 -1.143) 2.801 8.113 ( -1.141 -2.510 -2.219) 3.539 8.279 ( 3.542 1.589 -5.927) 7.086 8.355 ( 2.329 -9.086 0.742) 9.409 8.526 ( 1.567 -7.587 2.774) 8.229 8.679 ( 2.771 -4.022 2.024) 5.287 9.625 ( 2.423 -3.274 -1.489) 4.337 9.681 ( 4.041 -3.352 -0.627) 5.287 9.836 ( 4.689 -1.033 0.222) 4.807 9.897 ( 0.184 1.325 -0.425) 1.403 10.121 ( 5.595 -0.339 1.714) 5.861 10.223 ( 1.100 1.918 0.843) 2.366 10.440 ( 4.517 -3.930 2.733) 6.582 10.529 ( -9.021 -0.350 -3.229) 9.588 10.790 ( -2.123 0.257 -3.289) 3.923 10.962 ( 3.707 -2.325 -1.586) 4.654 11.030 ( -6.375 0.165 2.491) 6.846 11.103 ( 2.457 2.387 1.392) 3.698 11.353 ( -5.683 -0.692 3.275) 6.595 11.497 ( -2.851 -2.601 -4.184) 5.692 16.793 ( -0.245 0.299 -0.565) 0.684 16.926 ( 2.579 2.178 2.676) 4.308 19.674 ( -6.111 -0.245 -8.068) 10.125 20.087 ( -3.101 -11.038 4.868) 12.456 21.271 ( -2.154 6.640 -2.144) 7.303 21.642 ( -5.987 3.791 9.597) 11.930 21.735 ( 0.342 4.376 3.981) 5.925 21.856 ( 11.698 -0.901 -2.252) 11.947 22.012 ( 9.733 3.413 -4.345) 11.192 22.099 ( 8.374 5.603 0.435) 10.085 22.635 ( -0.802 0.724 -0.279) 1.116 22.681 ( -0.661 1.159 0.111) 1.339 22.849 ( -0.169 -2.298 -3.880) 4.513 23.109 ( -1.865 3.761 -0.959) 4.306 23.531 ( -10.777 1.077 -10.606) 15.159 24.185 ( -3.789 -8.377 11.305) 14.572 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 13.634 20.731 -0.923) 24.830 1.098 ( -9.058 24.712 -2.622) 26.450 2.038 ( -2.701 19.695 -1.717) 19.953 2.162 ( -12.280 33.258 5.595) 35.891 2.252 ( 10.592 16.294 8.702) 21.293 2.494 ( 9.294 14.522 -15.029) 22.872 2.685 ( -4.851 13.565 -5.367) 15.374 2.767 ( -3.184 -6.142 4.826) 8.435 2.844 ( -3.242 11.120 0.763) 11.608 3.190 ( -3.270 2.622 3.252) 5.305 3.385 ( 1.985 0.245 0.840) 2.169 3.467 ( -4.285 -4.972 -1.894) 6.831 3.535 ( 6.206 4.481 1.001) 7.720 3.649 ( -2.827 6.771 -5.266) 9.031 3.828 ( 0.377 4.283 3.922) 5.820 3.857 ( 0.939 -9.252 1.888) 9.489 4.054 ( 9.133 -1.072 -0.930) 9.243 4.084 ( -2.577 -5.059 -0.890) 5.747 4.438 ( -2.692 -6.038 4.380) 7.930 4.544 ( 4.216 -0.180 -2.844) 5.088 4.573 ( 0.135 2.984 -1.821) 3.499 4.771 ( 5.645 0.058 8.408) 10.127 4.882 ( -6.802 -1.187 -2.836) 7.464 4.965 ( -3.749 -0.236 -3.899) 5.414 5.069 ( -6.047 -5.686 -1.129) 8.377 5.133 ( -0.702 -2.185 -0.103) 2.297 5.276 ( 1.187 -5.044 -2.747) 5.865 5.319 ( -3.414 2.576 0.469) 4.302 5.472 ( 2.949 -3.723 -4.512) 6.551 5.580 ( 7.304 0.147 -6.811) 9.988 5.634 ( -3.340 -1.803 8.648) 9.444 5.710 ( 4.567 -0.334 2.039) 5.013 5.833 ( -1.349 3.375 -3.124) 4.793 5.938 ( -5.705 -3.268 2.952) 7.207 5.998 ( -4.389 -2.101 3.489) 5.988 6.057 ( -4.232 -8.314 5.722) 10.944 6.143 ( 0.547 -5.264 -1.273) 5.444 6.250 ( 0.214 4.146 3.915) 5.706 6.394 ( 1.499 -0.823 1.333) 2.169 6.454 ( 1.617 -1.565 -2.658) 3.483 6.491 ( -0.533 0.756 4.473) 4.568 6.643 ( -1.299 -1.077 4.457) 4.766 6.713 ( -3.489 1.672 -5.157) 6.447 6.836 ( 1.016 -3.002 1.872) 3.681 6.950 ( 0.641 -2.822 -2.323) 3.710 7.016 ( -3.844 -3.994 2.828) 6.223 7.118 ( -0.566 0.931 -4.989) 5.107 7.151 ( -1.281 1.109 -3.263) 3.677 7.374 ( -1.976 -3.471 -1.774) 4.370 7.478 ( 0.380 3.275 1.971) 3.841 7.593 ( 5.958 3.325 0.071) 6.824 7.684 ( 3.187 0.426 -1.549) 3.569 7.740 ( -0.597 6.409 5.412) 8.410 7.844 ( 5.805 -4.344 2.259) 7.594 7.920 ( -5.146 2.906 -1.734) 6.159 8.127 ( -0.532 -2.235 -2.039) 3.072 8.231 ( -3.663 1.487 -7.028) 8.063 8.554 ( 4.781 -10.811 -1.019) 11.865 8.614 ( -0.482 -5.686 -1.335) 5.860 8.786 ( 2.685 -3.628 3.009) 5.424 9.662 ( 0.373 -1.023 -0.738) 1.316 9.806 ( 3.114 -7.465 0.234) 8.092 9.853 ( -0.860 1.646 -2.395) 3.030 9.979 ( 10.030 -1.538 1.865) 10.317 10.154 ( 0.552 3.629 2.364) 4.367 10.199 ( -1.298 2.130 -0.939) 2.666 10.394 ( -5.107 0.349 -3.285) 6.082 10.630 ( 8.483 -6.678 3.052) 11.219 10.796 ( 0.464 -4.067 -0.357) 4.109 10.923 ( -8.044 1.374 0.567) 8.180 11.041 ( 4.659 -1.629 -4.909) 6.961 11.133 ( 6.845 3.367 4.838) 9.034 11.270 ( -5.732 2.342 2.982) 6.873 11.441 ( -7.028 -1.532 -4.963) 8.739 16.785 ( 0.018 0.530 -0.086) 0.537 16.947 ( 3.143 1.966 2.528) 4.487 19.568 ( -5.550 -0.290 -10.490) 11.871 20.220 ( -2.880 -13.295 3.244) 13.985 21.147 ( -2.296 6.444 -1.376) 6.978 21.538 ( -5.448 4.578 7.483) 10.327 21.647 ( -1.982 6.084 1.275) 6.524 21.945 ( 4.907 4.465 -2.409) 7.058 22.064 ( 1.398 -0.593 -4.336) 4.594 22.271 ( 21.877 2.346 7.767) 23.333 22.613 ( -0.771 0.622 -0.434) 1.081 22.651 ( -1.632 0.698 -1.429) 2.279 22.869 ( 0.619 -2.365 -4.122) 4.792 23.017 ( -5.298 2.397 -1.562) 6.021 23.305 ( -11.826 3.977 -7.324) 14.468 24.303 ( -0.793 -8.590 9.550) 12.869 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -0.000 18.328 0.000) 18.328 0.686 ( -0.000 27.025 0.000) 27.025 1.400 ( -0.000 52.918 0.000) 52.918 1.749 ( -0.000 20.605 0.000) 20.605 2.199 ( -0.000 17.454 0.000) 17.454 2.461 ( -0.000 5.988 0.000) 5.988 2.494 ( 0.000 -2.206 -0.000) 2.206 2.672 ( -0.000 11.352 0.000) 11.352 2.821 ( 0.000 -6.552 -0.000) 6.552 3.118 ( -0.000 2.981 0.000) 2.981 3.335 ( -0.000 12.618 0.000) 12.618 3.436 ( 0.000 -1.804 -0.000) 1.804 3.572 ( 0.000 -1.945 -0.000) 1.945 3.624 ( 0.000 -3.968 -0.000) 3.968 3.802 ( -0.000 2.496 0.000) 2.496 3.973 ( 0.000 -8.095 -0.000) 8.095 4.079 ( -0.000 6.551 0.000) 6.551 4.241 ( 0.000 -12.202 -0.000) 12.202 4.405 ( 0.000 -2.078 -0.000) 2.078 4.609 ( 0.000 -5.501 -0.000) 5.501 4.647 ( 0.000 -2.589 -0.000) 2.589 4.726 ( -0.000 6.295 0.000) 6.295 4.860 ( -0.000 0.285 0.000) 0.285 4.914 ( 0.000 -0.121 -0.000) 0.121 5.072 ( 0.000 -4.053 -0.000) 4.053 5.164 ( 0.000 -2.009 -0.000) 2.009 5.232 ( -0.000 6.214 0.000) 6.214 5.383 ( 0.000 -6.608 -0.000) 6.608 5.524 ( 0.000 -0.779 -0.000) 0.779 5.529 ( 0.000 -1.701 -0.000) 1.701 5.671 ( -0.000 5.727 0.000) 5.727 5.697 ( -0.000 6.405 0.000) 6.405 5.913 ( 0.000 -3.628 -0.000) 3.628 5.971 ( 0.000 -12.356 -0.000) 12.356 6.016 ( 0.000 -5.511 -0.000) 5.511 6.110 ( 0.000 -3.842 -0.000) 3.842 6.187 ( -0.000 2.193 0.000) 2.193 6.228 ( 0.000 -0.640 -0.000) 0.640 6.408 ( -0.000 0.980 0.000) 0.980 6.485 ( -0.000 0.176 0.000) 0.176 6.524 ( 0.000 -8.811 -0.000) 8.811 6.630 ( -0.000 1.928 0.000) 1.928 6.690 ( 0.000 -6.446 -0.000) 6.446 6.914 ( 0.000 -0.923 -0.000) 0.923 6.919 ( 0.000 -2.775 -0.000) 2.775 7.048 ( -0.000 0.141 0.000) 0.141 7.097 ( -0.000 0.383 0.000) 0.383 7.145 ( 0.000 -0.604 -0.000) 0.604 7.389 ( 0.000 -3.023 -0.000) 3.023 7.418 ( -0.000 8.426 0.000) 8.426 7.601 ( -0.000 3.372 0.000) 3.372 7.611 ( -0.000 8.734 0.000) 8.734 7.761 ( 0.000 -1.177 -0.000) 1.177 7.793 ( -0.000 3.993 0.000) 3.993 7.986 ( 0.000 -5.385 -0.000) 5.385 8.117 ( -0.000 3.405 0.000) 3.405 8.148 ( 0.000 -1.141 -0.000) 1.141 8.656 ( 0.000 -3.931 -0.000) 3.931 8.719 ( 0.000 -7.825 -0.000) 7.825 8.846 ( 0.000 -2.140 -0.000) 2.140 9.672 ( 0.000 -0.739 -0.000) 0.739 9.802 ( -0.000 2.519 0.000) 2.519 9.934 ( 0.000 -5.793 -0.000) 5.793 10.102 ( -0.000 3.156 0.000) 3.156 10.123 ( -0.000 0.459 0.000) 0.459 10.131 ( 0.000 -3.271 -0.000) 3.271 10.350 ( -0.000 1.314 0.000) 1.314 10.759 ( -0.000 6.980 0.000) 6.980 10.850 ( 0.000 -8.610 -0.000) 8.610 10.879 ( 0.000 -5.094 -0.000) 5.094 11.046 ( -0.000 2.426 0.000) 2.426 11.187 ( -0.000 4.513 0.000) 4.513 11.300 ( 0.000 -2.309 -0.000) 2.309 11.307 ( 0.000 -1.545 -0.000) 1.545 16.778 ( -0.000 0.705 0.000) 0.705 16.970 ( -0.000 0.368 0.000) 0.368 19.470 ( -0.000 2.181 0.000) 2.181 20.373 ( 0.000 -12.449 -0.000) 12.449 21.050 ( -0.000 4.905 0.000) 4.905 21.450 ( -0.000 4.421 0.000) 4.421 21.562 ( -0.000 4.626 0.000) 4.626 21.891 ( -0.000 6.628 0.000) 6.628 22.075 ( 0.000 -1.153 -0.000) 1.153 22.506 ( -0.000 0.975 0.000) 0.975 22.596 ( 0.000 -0.339 -0.000) 0.339 22.608 ( -0.000 0.243 0.000) 0.243 22.881 ( 0.000 -0.987 -0.000) 0.987 22.928 ( -0.000 0.389 0.000) 0.389 23.130 ( -0.000 5.301 0.000) 5.301 24.436 ( 0.000 -7.776 -0.000) 7.776 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 26.231 0.000 6.996) 27.148 1.410 ( 20.494 0.000 1.919) 20.584 1.857 ( 13.993 0.000 -4.627) 14.739 1.883 ( 2.937 0.000 -3.023) 4.215 2.319 ( 13.941 0.000 0.834) 13.966 2.611 ( 22.908 0.000 0.801) 22.922 2.957 ( 0.804 0.000 3.481) 3.572 3.089 ( 10.252 0.000 -4.737) 11.294 3.093 ( 15.188 0.000 -3.596) 15.608 3.313 ( 4.494 0.000 11.619) 12.458 3.329 ( 2.454 0.000 6.065) 6.542 3.488 ( 4.529 0.000 1.826) 4.883 3.515 ( 7.197 0.000 6.929) 9.991 3.802 ( 8.110 0.000 -6.192) 10.204 3.882 ( 3.838 0.000 0.942) 3.952 4.049 ( -0.907 -0.000 0.111) 0.913 4.099 ( -0.456 -0.000 -9.315) 9.326 4.283 ( 1.289 0.000 5.440) 5.591 4.387 ( -1.621 -0.000 6.696) 6.889 4.393 ( -3.522 -0.000 -4.023) 5.347 4.575 ( -2.347 -0.000 -5.044) 5.563 4.773 ( -2.083 -0.000 -6.019) 6.370 4.796 ( -0.482 -0.000 -6.050) 6.069 5.029 ( -7.475 -0.000 -9.531) 12.113 5.105 ( -3.537 -0.000 2.155) 4.142 5.194 ( -3.501 -0.000 4.251) 5.507 5.216 ( 1.004 0.000 2.122) 2.348 5.383 ( 8.060 0.000 0.716) 8.092 5.493 ( 3.827 0.000 5.413) 6.629 5.620 ( -7.519 -0.000 0.132) 7.521 5.728 ( -1.734 -0.000 4.808) 5.112 5.773 ( 0.937 0.000 -4.518) 4.614 5.883 ( -1.182 -0.000 0.523) 1.293 5.941 ( 13.358 0.000 -14.957) 20.054 6.062 ( 1.835 0.000 -2.955) 3.478 6.145 ( -2.111 -0.000 -3.449) 4.043 6.146 ( -8.204 -0.000 7.132) 10.871 6.173 ( -2.659 -0.000 -1.376) 2.994 6.309 ( -4.289 -0.000 0.017) 4.289 6.420 ( 6.484 0.000 -0.201) 6.487 6.546 ( -2.582 -0.000 -2.057) 3.302 6.624 ( -4.804 -0.000 5.856) 7.575 6.683 ( -6.446 -0.000 3.821) 7.494 6.722 ( -1.680 -0.000 3.158) 3.577 6.886 ( -4.072 -0.000 0.941) 4.180 7.052 ( -0.560 -0.000 0.823) 0.996 7.100 ( 2.447 0.000 -9.077) 9.402 7.235 ( -6.228 -0.000 0.533) 6.251 7.316 ( 0.802 0.000 2.410) 2.540 7.466 ( 0.804 0.000 1.917) 2.079 7.556 ( 1.392 0.000 3.452) 3.722 7.633 ( -2.215 -0.000 1.102) 2.474 7.778 ( 4.918 0.000 -2.140) 5.364 7.802 ( 4.210 0.000 2.179) 4.741 7.944 ( -1.481 -0.000 -6.574) 6.739 7.988 ( -8.968 -0.000 9.147) 12.810 8.153 ( 0.172 0.000 6.397) 6.399 8.505 ( -10.138 -0.000 -4.474) 11.081 8.746 ( -3.116 -0.000 -9.419) 9.921 8.924 ( -6.976 -0.000 -6.699) 9.672 9.568 ( -4.232 -0.000 -1.836) 4.614 9.596 ( 0.218 0.000 -2.609) 2.618 9.753 ( -4.210 -0.000 2.613) 4.955 9.942 ( -6.233 -0.000 6.207) 8.796 10.163 ( -3.989 -0.000 1.789) 4.372 10.262 ( -6.797 -0.000 0.997) 6.870 10.527 ( 6.607 0.000 -2.591) 7.097 10.630 ( -0.689 -0.000 1.814) 1.940 10.725 ( -1.276 -0.000 -3.099) 3.351 10.770 ( 9.361 0.000 3.577) 10.021 10.926 ( 1.884 0.000 1.664) 2.514 11.065 ( -7.697 -0.000 -2.091) 7.976 11.111 ( -1.793 -0.000 -0.290) 1.817 11.317 ( 0.519 0.000 1.460) 1.549 16.768 ( 1.065 0.000 -1.909) 2.186 16.831 ( 2.233 0.000 1.137) 2.506 19.928 ( -5.831 -0.000 19.972) 20.806 20.286 ( -11.842 -0.000 -14.918) 19.047 21.273 ( 5.456 0.000 1.697) 5.714 21.504 ( 5.804 0.000 -3.515) 6.785 21.566 ( 2.806 0.000 1.616) 3.238 21.755 ( 4.665 0.000 1.312) 4.846 22.094 ( -1.364 -0.000 7.308) 7.434 22.308 ( 3.329 0.000 -5.075) 6.070 22.680 ( 2.638 0.000 -1.625) 3.098 22.687 ( 1.251 0.000 0.230) 1.272 22.904 ( 0.678 0.000 -2.653) 2.738 23.146 ( 2.164 0.000 1.194) 2.471 23.757 ( -2.247 -0.000 15.378) 15.541 23.952 ( -2.185 -0.000 -17.423) 17.560 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 17.469 8.771 -2.072) 19.657 1.770 ( 26.504 -4.221 5.942) 27.488 1.945 ( 7.164 3.565 5.972) 9.985 2.021 ( 17.785 2.179 2.829) 18.140 2.455 ( 15.964 8.195 -2.226) 18.082 2.887 ( 4.306 -3.696 2.306) 6.126 2.982 ( 9.044 7.737 -4.446) 12.705 3.117 ( 5.609 -0.516 0.265) 5.639 3.286 ( 0.970 -1.976 -4.837) 5.314 3.402 ( 10.186 -2.851 4.577) 11.526 3.440 ( 10.023 -3.060 5.026) 11.622 3.573 ( 10.093 3.261 0.144) 10.607 3.628 ( 5.873 5.352 3.445) 8.660 3.768 ( -7.877 6.375 -6.354) 11.961 3.921 ( 8.892 -2.229 -4.333) 10.139 3.992 ( 3.379 7.760 0.901) 8.511 4.083 ( 2.368 11.470 -3.188) 12.138 4.227 ( -2.992 4.731 3.559) 6.633 4.367 ( -0.955 0.194 -1.645) 1.912 4.429 ( 4.762 -4.877 0.774) 6.860 4.587 ( -0.057 -4.301 -4.654) 6.337 4.678 ( -3.934 1.188 4.209) 5.882 4.792 ( -4.919 -6.969 -6.664) 10.825 4.950 ( -6.894 -6.591 -7.233) 11.970 5.136 ( 1.071 -1.862 5.688) 6.080 5.170 ( -2.352 -0.629 1.761) 3.005 5.274 ( 3.276 -0.508 2.116) 3.933 5.422 ( -3.862 2.375 0.248) 4.541 5.485 ( -1.785 2.499 -0.282) 3.084 5.590 ( 1.282 -2.493 1.904) 3.389 5.710 ( -2.876 5.103 0.405) 5.872 5.767 ( -0.424 -0.646 2.402) 2.523 5.834 ( -2.524 -2.692 -1.539) 3.999 5.988 ( 1.028 2.678 1.857) 3.417 6.046 ( 3.837 1.737 -10.851) 11.640 6.079 ( -3.528 -2.473 -2.745) 5.109 6.152 ( -5.634 -5.492 3.557) 8.635 6.194 ( 0.197 -5.194 -1.279) 5.353 6.275 ( 2.235 1.771 -1.042) 3.036 6.457 ( 0.595 1.610 -3.282) 3.704 6.518 ( -9.437 -1.100 0.796) 9.535 6.551 ( 1.392 -0.193 0.483) 1.486 6.650 ( 1.904 2.349 5.315) 6.115 6.724 ( 1.106 3.006 7.010) 7.707 6.834 ( -2.229 2.052 2.719) 4.071 7.042 ( -0.344 -2.680 0.938) 2.860 7.158 ( -1.236 -6.121 -4.121) 7.482 7.202 ( -3.777 -3.014 1.910) 5.196 7.304 ( -0.505 2.779 1.385) 3.146 7.459 ( -1.889 -0.298 0.448) 1.964 7.530 ( -0.939 3.632 -1.425) 4.013 7.613 ( -1.197 -0.953 -0.291) 1.557 7.791 ( 3.653 3.848 -0.965) 5.393 7.896 ( -2.222 -1.411 -8.027) 8.448 7.922 ( 4.474 -3.754 2.552) 6.373 7.973 ( -2.411 -2.676 12.327) 12.842 8.172 ( -0.796 1.593 6.214) 6.464 8.338 ( -9.279 0.730 -5.880) 11.010 8.584 ( -11.020 1.642 -14.339) 18.159 8.740 ( -9.723 5.329 -3.030) 11.494 9.509 ( -3.006 0.119 -2.467) 3.891 9.632 ( 4.175 1.190 1.979) 4.771 9.735 ( 0.023 -1.100 2.407) 2.646 9.892 ( -4.667 -2.102 0.774) 5.177 10.086 ( -6.084 0.578 3.323) 6.956 10.180 ( -3.796 1.463 2.492) 4.771 10.483 ( -2.337 10.164 1.536) 10.542 10.593 ( 4.125 0.641 -3.833) 5.667 10.823 ( 1.048 -8.122 -1.113) 8.265 10.918 ( 6.497 0.141 3.809) 7.533 10.978 ( -6.911 -9.550 -2.317) 12.013 11.030 ( 0.044 -5.956 -0.275) 5.962 11.103 ( -0.085 -1.038 -0.061) 1.043 11.312 ( -1.001 -0.476 -0.313) 1.152 16.780 ( 1.094 -0.442 -1.741) 2.103 16.874 ( 2.724 -0.330 1.932) 3.356 19.916 ( -3.981 0.843 13.681) 14.273 20.044 ( -14.696 0.677 -11.803) 18.861 21.362 ( 6.611 -0.773 1.354) 6.793 21.566 ( 5.413 1.570 0.243) 5.642 21.665 ( 9.051 0.369 -0.184) 9.061 21.816 ( 3.474 0.170 3.156) 4.697 22.101 ( 1.311 1.081 2.439) 2.973 22.293 ( 4.826 6.953 -4.000) 9.361 22.694 ( 0.668 0.823 -0.550) 1.195 22.706 ( 2.516 0.407 -1.703) 3.065 22.891 ( 0.494 2.196 -2.777) 3.575 23.183 ( 2.838 -0.509 0.731) 2.974 23.742 ( -7.295 -0.025 10.438) 12.734 23.897 ( -5.487 -6.694 -9.403) 12.781 ======================= Grid point 22 (16/95) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 17.310 23.724 -4.720) 29.744 1.996 ( 5.924 0.713 6.316) 8.689 2.204 ( 18.194 10.796 5.451) 21.847 2.242 ( 23.272 -1.962 8.350) 24.803 2.561 ( 12.379 3.466 -2.242) 13.049 2.869 ( 6.364 12.580 -2.979) 14.410 2.981 ( 6.629 1.564 -5.302) 8.632 3.215 ( -1.880 5.200 -4.873) 7.370 3.297 ( 8.342 -4.959 3.584) 10.345 3.421 ( -3.768 7.994 -1.527) 8.968 3.533 ( 1.319 4.955 -5.381) 7.433 3.608 ( 4.509 1.656 3.943) 6.214 3.656 ( 3.912 -1.478 0.803) 4.258 3.723 ( 1.414 7.500 -4.766) 8.998 3.906 ( 15.296 7.542 -0.611) 17.065 3.977 ( 0.784 3.252 5.621) 6.541 4.080 ( 8.813 2.731 -4.487) 10.260 4.170 ( -1.205 2.917 -1.643) 3.558 4.375 ( -1.068 -4.210 5.790) 7.238 4.460 ( -1.206 2.830 0.216) 3.084 4.601 ( 1.894 0.900 -0.961) 2.307 4.725 ( 0.494 -1.147 6.752) 6.867 4.796 ( -4.696 -5.385 -1.535) 7.308 4.947 ( -4.972 -6.680 -6.385) 10.493 5.076 ( -6.233 5.387 1.323) 8.344 5.139 ( -0.437 1.731 -2.412) 3.001 5.267 ( -6.937 -3.604 -0.373) 7.826 5.337 ( -8.296 -0.241 -0.694) 8.328 5.406 ( -0.287 4.631 -5.135) 6.921 5.549 ( -4.402 0.668 2.433) 5.074 5.699 ( -2.158 0.077 2.325) 3.173 5.771 ( -0.204 -4.499 0.170) 4.506 5.917 ( 1.231 -3.431 7.902) 8.702 5.989 ( -0.584 -3.164 -1.105) 3.401 6.036 ( -5.099 -3.883 -0.892) 6.471 6.083 ( 2.644 0.457 -4.280) 5.051 6.135 ( -1.366 0.483 0.071) 1.450 6.238 ( -0.634 -2.093 -2.707) 3.480 6.265 ( -0.093 2.350 3.030) 3.836 6.428 ( -0.283 1.340 -3.717) 3.962 6.483 ( -0.743 -5.918 3.004) 6.678 6.560 ( 1.156 3.296 5.023) 6.118 6.664 ( 2.719 3.185 -1.738) 4.535 6.749 ( 0.366 -0.730 9.232) 9.268 6.831 ( 3.268 -0.495 2.871) 4.378 7.073 ( -2.648 -1.527 0.127) 3.059 7.113 ( -3.670 2.231 -2.243) 4.846 7.226 ( -5.334 -8.712 -2.791) 10.589 7.299 ( 1.477 0.203 1.533) 2.138 7.434 ( -1.261 1.831 -3.114) 3.826 7.495 ( 0.586 -2.129 -1.923) 2.928 7.611 ( 1.999 1.742 0.279) 2.666 7.767 ( 1.689 4.043 -0.985) 4.491 7.854 ( -2.811 -2.400 -7.027) 7.940 7.984 ( -3.763 -0.656 5.143) 6.407 8.041 ( -0.347 0.421 -0.275) 0.611 8.135 ( 0.918 -3.910 2.440) 4.700 8.255 ( -6.337 -2.149 -2.116) 7.018 8.385 ( -5.902 0.513 -5.527) 8.102 8.582 ( -5.301 1.091 1.316) 5.570 9.475 ( -2.335 -2.399 -4.006) 5.221 9.653 ( 2.808 2.829 0.686) 4.045 9.789 ( 3.425 -0.422 2.284) 4.138 9.878 ( -3.054 -3.852 -0.035) 4.916 10.050 ( -2.045 -2.037 1.608) 3.304 10.143 ( -0.904 0.683 3.978) 4.136 10.377 ( -2.000 3.063 3.982) 5.407 10.597 ( -0.454 0.336 -4.784) 4.818 10.892 ( -0.603 -2.448 -3.923) 4.663 10.933 ( -3.544 -2.535 1.338) 4.558 10.991 ( -3.684 -2.099 -4.896) 6.477 11.083 ( 0.011 -2.702 2.835) 3.916 11.191 ( 2.415 -6.220 2.816) 7.243 11.333 ( -0.069 -4.372 -0.892) 4.463 16.792 ( 0.639 -0.355 -1.441) 1.616 16.922 ( 2.762 -0.081 2.312) 3.603 19.815 ( -12.660 -0.636 -8.339) 15.173 19.905 ( -3.047 0.056 8.875) 9.384 21.466 ( 5.646 0.546 0.787) 5.727 21.623 ( 8.106 2.655 2.749) 8.962 21.742 ( 4.729 2.477 0.799) 5.398 21.864 ( 2.088 1.002 4.027) 4.646 22.140 ( 7.343 1.368 -2.351) 7.830 22.243 ( 5.938 9.548 -4.041) 11.948 22.682 ( -0.122 1.258 -0.188) 1.277 22.728 ( 2.724 1.089 -0.747) 3.027 22.842 ( -1.317 2.206 -3.007) 3.955 23.230 ( 2.977 0.463 -0.382) 3.036 23.650 ( -9.409 -1.052 0.437) 9.477 23.893 ( -8.440 -8.971 1.782) 12.446 ======================= Grid point 23 (17/95) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 19.743 30.570 -3.037) 36.518 1.975 ( -5.996 7.650 -2.231) 9.973 2.221 ( 12.515 15.125 6.209) 20.590 2.567 ( 17.186 1.325 4.955) 17.935 2.651 ( 4.726 2.116 0.835) 5.245 2.837 ( 15.243 9.990 -6.892) 19.485 3.030 ( 5.554 14.460 -4.881) 16.240 3.102 ( 7.531 2.702 3.458) 8.716 3.295 ( -2.333 1.641 -1.874) 3.413 3.383 ( -3.423 2.071 -0.129) 4.003 3.485 ( 1.369 5.838 -3.179) 6.787 3.607 ( 6.220 5.640 -1.855) 8.599 3.688 ( 0.509 -0.849 -2.146) 2.363 3.722 ( 5.223 2.390 1.916) 6.055 3.864 ( 1.623 15.381 1.442) 15.534 3.998 ( -0.516 3.330 1.846) 3.843 4.065 ( 4.485 5.305 0.277) 6.952 4.208 ( 3.054 2.063 3.552) 5.119 4.372 ( -2.255 -3.198 3.509) 5.256 4.498 ( 4.460 1.111 2.355) 5.164 4.628 ( -0.499 -1.967 0.239) 2.044 4.685 ( -5.119 4.045 -0.382) 6.536 4.754 ( 1.849 -1.567 -0.877) 2.577 4.890 ( -7.578 0.844 -1.806) 7.836 4.972 ( -5.817 -1.926 2.251) 6.528 5.096 ( -0.520 1.024 -4.667) 4.806 5.204 ( -8.499 -0.507 -3.431) 9.179 5.267 ( -6.114 -8.151 -0.161) 10.190 5.371 ( 2.449 0.170 -4.621) 5.233 5.506 ( -3.480 0.502 3.581) 5.018 5.669 ( -4.085 -4.430 1.317) 6.168 5.802 ( -1.355 -1.282 -0.204) 1.876 5.887 ( -5.831 0.814 -5.555) 8.095 5.957 ( -3.156 3.964 -0.444) 5.086 6.021 ( -4.971 -0.510 6.583) 8.265 6.095 ( -1.481 3.261 -1.195) 3.776 6.165 ( -4.160 2.802 8.049) 9.484 6.194 ( 5.912 -5.697 -1.695) 8.384 6.331 ( 3.686 -2.635 3.667) 5.829 6.396 ( -0.155 0.571 0.253) 0.644 6.559 ( 1.986 3.159 1.315) 3.956 6.571 ( 0.552 -2.378 3.733) 4.460 6.692 ( 1.774 -4.980 0.777) 5.343 6.774 ( -1.522 0.655 6.266) 6.481 6.890 ( 3.685 3.557 -1.700) 5.396 7.010 ( -6.110 -2.305 -0.413) 6.543 7.107 ( 0.249 -5.767 -4.702) 7.445 7.187 ( -5.701 -2.679 -8.866) 10.876 7.286 ( -3.129 4.473 -1.500) 5.661 7.401 ( 0.170 -3.520 -1.085) 3.687 7.581 ( 3.810 -4.094 0.712) 5.638 7.624 ( 3.331 2.202 1.017) 4.120 7.767 ( 6.255 3.431 -0.827) 7.182 7.831 ( -1.999 -1.988 -3.931) 4.837 7.930 ( -3.798 -2.308 0.607) 4.486 8.031 ( -3.073 -3.852 -2.720) 5.629 8.161 ( -5.949 -5.010 -1.318) 7.888 8.275 ( 3.870 -5.187 -0.760) 6.516 8.391 ( 1.469 -1.245 4.138) 4.565 8.575 ( -0.183 -3.397 3.630) 4.975 9.482 ( -1.959 -5.612 -4.512) 7.463 9.661 ( 2.244 0.595 -1.391) 2.706 9.844 ( 5.158 1.128 1.598) 5.517 9.916 ( 0.997 -2.434 3.979) 4.770 10.080 ( 2.976 -2.436 -3.750) 5.371 10.169 ( -1.124 -3.105 6.252) 7.071 10.369 ( -0.550 -1.837 4.397) 4.797 10.529 ( -6.073 0.838 -5.439) 8.195 10.824 ( -5.516 0.840 -5.898) 8.120 10.942 ( -2.345 -4.526 -0.359) 5.110 10.954 ( -1.094 0.941 -1.350) 1.976 11.126 ( 0.453 -1.651 3.430) 3.834 11.280 ( -0.488 -3.204 2.627) 4.172 11.392 ( -0.288 -4.813 -1.804) 5.148 16.794 ( 0.093 -0.053 -1.003) 1.009 16.963 ( 2.421 0.602 2.143) 3.289 19.664 ( -8.382 -1.641 -4.809) 9.802 19.904 ( -2.900 -2.529 4.687) 6.064 21.456 ( 1.035 6.764 -0.858) 6.896 21.718 ( -1.147 1.095 8.623) 8.768 21.785 ( 8.158 1.732 2.233) 8.633 21.888 ( 7.376 2.069 -2.728) 8.133 22.178 ( 4.897 9.356 -3.500) 11.125 22.232 ( 10.369 3.150 -0.797) 10.866 22.661 ( -0.489 1.151 -0.064) 1.252 22.725 ( -0.212 2.977 -0.061) 2.986 22.807 ( 0.514 -0.872 -3.628) 3.767 23.219 ( -0.449 3.937 -1.592) 4.271 23.534 ( -8.505 -0.894 -4.456) 9.643 23.920 ( -8.526 -11.131 6.726) 15.551 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 15.130 31.311 -1.933) 34.828 1.682 ( -6.584 18.608 -3.385) 20.026 2.231 ( 6.878 7.281 2.872) 10.419 2.633 ( 2.595 8.094 -1.066) 8.566 2.683 ( 4.244 5.138 8.389) 10.714 2.863 ( 9.457 12.959 -9.596) 18.694 2.953 ( 6.979 11.805 -0.332) 13.718 3.079 ( 2.446 10.332 -0.559) 10.633 3.243 ( 0.602 6.364 0.832) 6.446 3.367 ( 2.621 3.464 0.017) 4.344 3.401 ( -5.788 8.744 -2.299) 10.735 3.413 ( -2.280 21.137 2.710) 21.432 3.613 ( -0.836 0.097 1.193) 1.460 3.724 ( -2.793 -0.923 -0.666) 3.016 3.803 ( 3.992 2.843 -1.015) 5.005 3.970 ( 1.162 5.925 1.578) 6.240 4.081 ( 4.845 3.372 -1.510) 6.093 4.089 ( -1.394 7.754 0.286) 7.884 4.406 ( -1.945 3.410 4.478) 5.955 4.502 ( -2.394 -3.532 -1.968) 4.699 4.636 ( 4.678 -2.138 1.479) 5.352 4.751 ( 0.191 -1.839 8.150) 8.357 4.793 ( -2.128 0.645 3.288) 3.969 4.853 ( 6.918 -8.515 -6.603) 12.804 4.939 ( -3.382 -1.842 -0.486) 3.882 5.069 ( -3.390 -3.153 -2.710) 5.365 5.120 ( -6.958 -6.130 -7.227) 11.757 5.273 ( -5.805 -5.058 2.910) 8.231 5.396 ( -1.134 -2.969 -0.943) 3.315 5.502 ( 5.921 2.918 2.202) 6.959 5.703 ( -2.889 -2.536 -1.505) 4.128 5.768 ( -1.774 -2.462 -4.166) 5.154 5.778 ( -3.777 1.194 0.129) 3.963 5.877 ( -4.113 -0.519 -2.386) 4.783 5.984 ( -5.915 -0.480 6.592) 8.870 6.019 ( -0.431 3.753 -0.092) 3.779 6.086 ( 0.688 5.754 3.664) 6.856 6.328 ( -0.486 -6.097 0.149) 6.119 6.397 ( 1.344 1.446 1.896) 2.737 6.416 ( 1.684 -0.400 1.394) 2.222 6.538 ( 0.959 2.712 2.517) 3.823 6.601 ( 0.568 -0.070 4.272) 4.310 6.752 ( -0.663 -1.870 4.657) 5.062 6.800 ( 0.991 -0.901 -0.283) 1.369 6.865 ( 1.506 0.849 -5.035) 5.323 6.911 ( -8.794 -3.957 -3.983) 10.434 7.119 ( -3.481 -1.438 -3.363) 5.049 7.179 ( -3.076 0.859 -6.148) 6.928 7.245 ( 4.978 -5.266 -1.073) 7.326 7.450 ( -0.741 -3.047 2.070) 3.758 7.657 ( 4.319 -0.053 -0.092) 4.320 7.676 ( 3.354 -0.413 5.149) 6.159 7.785 ( 0.597 0.588 -1.967) 2.138 7.832 ( 1.838 -0.159 -1.774) 2.560 7.930 ( -4.338 -2.039 0.063) 4.794 8.056 ( 2.061 -3.859 -0.831) 4.453 8.213 ( -2.236 -7.633 -0.309) 7.960 8.350 ( 2.910 -1.147 -2.850) 4.232 8.445 ( -0.718 -6.293 -0.070) 6.334 8.669 ( 2.409 -5.021 4.160) 6.951 9.534 ( -1.270 -7.998 -3.050) 8.654 9.688 ( 1.352 -1.499 -1.044) 2.273 9.910 ( 3.952 2.185 1.706) 4.827 9.979 ( 7.033 0.555 2.987) 7.661 10.170 ( 3.568 -2.808 -0.776) 4.606 10.223 ( -0.562 -5.179 2.552) 5.801 10.373 ( -9.585 2.287 -4.898) 11.004 10.446 ( 2.729 -5.829 3.250) 7.210 10.739 ( -4.000 -0.959 -3.054) 5.123 10.899 ( -4.874 -0.773 -1.243) 5.089 11.004 ( 4.098 -2.754 -1.414) 5.135 11.155 ( -2.806 -2.086 4.578) 5.760 11.288 ( 0.403 1.695 1.357) 2.209 11.411 ( -2.705 -2.051 -2.874) 4.448 16.791 ( -0.083 0.063 -0.450) 0.462 16.987 ( 1.720 1.082 1.516) 2.535 19.583 ( -4.092 -0.284 -2.820) 4.978 19.939 ( -2.316 -6.948 2.039) 7.602 21.349 ( -0.514 8.790 -0.960) 8.858 21.665 ( -2.690 4.842 5.461) 7.779 21.799 ( -0.376 3.511 1.384) 3.793 22.026 ( 11.932 2.170 -3.911) 12.743 22.116 ( 2.705 5.890 -2.578) 6.975 22.343 ( 11.598 2.506 7.329) 13.947 22.640 ( -0.515 0.881 -0.554) 1.161 22.658 ( -5.126 0.554 -2.345) 5.665 22.834 ( 3.321 -0.176 -3.493) 4.823 23.117 ( -3.984 5.114 -2.353) 6.896 23.404 ( -6.549 2.964 -3.507) 7.999 24.011 ( -4.557 -13.080 5.654) 14.961 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.000 28.337 0.000) 28.337 1.354 ( -0.000 23.401 0.000) 23.401 2.187 ( -0.000 9.064 0.000) 9.064 2.528 ( -0.000 14.566 0.000) 14.566 2.593 ( -0.000 27.202 0.000) 27.202 2.691 ( -0.000 0.813 0.000) 0.813 2.785 ( -0.000 24.024 0.000) 24.024 2.896 ( -0.000 19.965 0.000) 19.965 2.994 ( -0.000 16.231 0.000) 16.231 3.243 ( -0.000 5.909 0.000) 5.909 3.362 ( 0.000 -3.702 -0.000) 3.702 3.381 ( 0.000 -1.368 -0.000) 1.368 3.563 ( -0.000 0.912 0.000) 0.912 3.754 ( -0.000 9.722 0.000) 9.722 3.766 ( 0.000 -6.812 -0.000) 6.812 3.909 ( -0.000 6.579 0.000) 6.579 3.997 ( 0.000 -3.380 -0.000) 3.380 4.235 ( -0.000 5.410 0.000) 5.410 4.268 ( 0.000 -6.233 -0.000) 6.233 4.609 ( 0.000 -0.352 -0.000) 0.352 4.612 ( -0.000 1.843 0.000) 1.843 4.724 ( 0.000 -3.981 -0.000) 3.981 4.857 ( -0.000 0.131 0.000) 0.131 4.907 ( 0.000 -1.244 -0.000) 1.244 4.988 ( 0.000 -2.823 -0.000) 2.823 5.087 ( 0.000 -3.280 -0.000) 3.280 5.198 ( 0.000 -11.578 -0.000) 11.578 5.290 ( 0.000 -2.597 -0.000) 2.597 5.430 ( 0.000 -4.581 -0.000) 4.581 5.544 ( 0.000 -4.354 -0.000) 4.354 5.661 ( -0.000 4.923 0.000) 4.923 5.753 ( 0.000 -2.101 -0.000) 2.101 5.831 ( -0.000 0.541 0.000) 0.541 5.837 ( 0.000 -4.489 -0.000) 4.489 5.947 ( 0.000 -0.339 -0.000) 0.339 5.993 ( 0.000 -0.018 -0.000) 0.018 6.078 ( 0.000 -2.809 -0.000) 2.809 6.317 ( -0.000 4.983 0.000) 4.983 6.405 ( 0.000 -1.535 -0.000) 1.535 6.428 ( 0.000 -0.761 -0.000) 0.761 6.527 ( -0.000 2.497 0.000) 2.497 6.627 ( 0.000 -1.013 -0.000) 1.013 6.729 ( -0.000 4.875 0.000) 4.875 6.819 ( 0.000 -4.270 -0.000) 4.270 6.865 ( 0.000 -3.561 -0.000) 3.561 6.955 ( 0.000 -5.704 -0.000) 5.704 7.097 ( 0.000 -0.038 -0.000) 0.038 7.140 ( 0.000 -0.157 -0.000) 0.157 7.329 ( 0.000 -2.869 -0.000) 2.869 7.480 ( 0.000 -1.901 -0.000) 1.901 7.681 ( -0.000 2.576 0.000) 2.576 7.719 ( -0.000 0.060 0.000) 0.060 7.809 ( 0.000 -2.990 -0.000) 2.990 7.825 ( -0.000 2.986 0.000) 2.986 7.899 ( 0.000 -0.801 -0.000) 0.801 8.122 ( 0.000 -0.990 -0.000) 0.990 8.198 ( -0.000 2.079 0.000) 2.079 8.448 ( 0.000 -9.808 -0.000) 9.808 8.532 ( 0.000 -7.004 -0.000) 7.004 8.759 ( 0.000 -4.489 -0.000) 4.489 9.619 ( 0.000 -5.907 -0.000) 5.907 9.734 ( 0.000 -5.116 -0.000) 5.116 9.888 ( -0.000 3.718 0.000) 3.718 10.093 ( 0.000 -0.496 -0.000) 0.496 10.160 ( -0.000 1.896 0.000) 1.896 10.221 ( -0.000 4.359 0.000) 4.359 10.321 ( 0.000 -5.315 -0.000) 5.315 10.600 ( 0.000 -9.771 -0.000) 9.771 10.735 ( 0.000 -3.836 -0.000) 3.836 10.856 ( -0.000 0.179 0.000) 0.179 11.108 ( -0.000 1.894 0.000) 1.894 11.122 ( 0.000 -6.080 -0.000) 6.080 11.287 ( -0.000 1.577 0.000) 1.577 11.364 ( -0.000 2.309 0.000) 2.309 16.789 ( -0.000 0.116 0.000) 0.116 16.989 ( -0.000 1.037 0.000) 1.037 19.535 ( -0.000 2.119 0.000) 2.119 20.044 ( 0.000 -11.156 -0.000) 11.156 21.228 ( -0.000 8.469 0.000) 8.469 21.585 ( -0.000 5.661 0.000) 5.661 21.727 ( -0.000 6.871 0.000) 6.871 22.059 ( -0.000 5.465 0.000) 5.465 22.065 ( -0.000 1.528 0.000) 1.528 22.514 ( -0.000 0.103 0.000) 0.103 22.567 ( 0.000 -2.216 -0.000) 2.216 22.622 ( -0.000 0.993 0.000) 0.993 22.859 ( 0.000 -0.369 -0.000) 0.369 22.999 ( -0.000 5.144 0.000) 5.144 23.284 ( -0.000 5.847 0.000) 5.847 24.164 ( 0.000 -12.748 -0.000) 12.748 ======================= Grid point 30 (20/95) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 12.877 0.000 0.547) 12.889 2.089 ( 8.716 0.000 -0.461) 8.729 2.165 ( 29.558 0.000 5.848) 30.131 2.336 ( 24.750 0.000 9.621) 26.554 2.802 ( 18.337 0.000 -0.641) 18.348 2.906 ( 3.485 0.000 4.698) 5.849 3.075 ( 3.390 0.000 -5.145) 6.162 3.154 ( -0.476 -0.000 -2.583) 2.626 3.261 ( 1.676 0.000 -9.310) 9.460 3.555 ( 6.949 0.000 8.502) 10.981 3.581 ( 15.419 0.000 -3.802) 15.881 3.650 ( -8.492 -0.000 -3.714) 9.269 3.657 ( -2.186 -0.000 -3.057) 3.758 3.745 ( 7.868 0.000 -2.838) 8.364 3.982 ( 2.380 0.000 -2.356) 3.349 4.150 ( 6.315 0.000 1.694) 6.538 4.198 ( -6.711 -0.000 6.528) 9.362 4.297 ( 9.598 0.000 -9.059) 13.198 4.373 ( 3.589 0.000 -3.283) 4.864 4.453 ( -2.859 -0.000 -1.957) 3.464 4.485 ( 6.240 0.000 3.368) 7.091 4.647 ( -1.728 -0.000 -3.764) 4.141 4.687 ( -0.985 -0.000 12.653) 12.691 4.821 ( -3.601 -0.000 -3.620) 5.106 5.114 ( -4.596 -0.000 1.289) 4.774 5.194 ( 1.952 0.000 2.313) 3.026 5.332 ( -0.316 -0.000 3.186) 3.202 5.373 ( -8.950 -0.000 -4.591) 10.059 5.453 ( 0.378 0.000 1.496) 1.543 5.509 ( -7.818 -0.000 -1.188) 7.908 5.730 ( -0.478 -0.000 4.212) 4.239 5.798 ( -5.363 -0.000 3.676) 6.503 5.807 ( 5.016 0.000 0.384) 5.031 5.837 ( -11.804 -0.000 -5.157) 12.882 6.003 ( -4.637 -0.000 10.358) 11.349 6.091 ( 3.525 0.000 -9.281) 9.928 6.148 ( 1.054 0.000 -2.175) 2.417 6.153 ( 4.145 0.000 -0.012) 4.145 6.323 ( 2.370 0.000 -1.496) 2.803 6.387 ( -7.086 -0.000 -0.727) 7.124 6.423 ( -0.678 -0.000 -5.190) 5.234 6.610 ( 4.120 0.000 0.670) 4.175 6.766 ( 6.472 0.000 4.197) 7.714 6.798 ( 1.529 0.000 9.735) 9.855 6.811 ( -2.716 -0.000 1.588) 3.146 7.033 ( -0.921 -0.000 0.422) 1.013 7.044 ( -1.786 -0.000 -1.581) 2.385 7.200 ( -0.352 -0.000 1.677) 1.713 7.305 ( -3.021 -0.000 0.978) 3.175 7.426 ( -2.226 -0.000 -0.144) 2.231 7.511 ( -1.809 -0.000 -4.666) 5.004 7.604 ( 0.946 0.000 -0.316) 0.998 7.812 ( -3.151 -0.000 -8.067) 8.661 7.841 ( 0.235 0.000 -0.308) 0.387 7.983 ( -0.637 -0.000 10.514) 10.533 7.986 ( 5.118 0.000 3.482) 6.191 8.170 ( -11.545 -0.000 -5.391) 12.742 8.177 ( -5.114 -0.000 -2.729) 5.796 8.388 ( -8.009 -0.000 -8.096) 11.388 8.616 ( -10.459 -0.000 0.147) 10.460 9.446 ( -4.226 -0.000 -3.683) 5.606 9.727 ( 0.130 0.000 0.003) 0.130 9.755 ( 7.773 0.000 4.988) 9.236 9.808 ( -4.757 -0.000 -0.888) 4.839 10.007 ( -7.122 -0.000 5.459) 8.974 10.140 ( -2.390 -0.000 1.469) 2.805 10.558 ( -6.597 -0.000 2.400) 7.020 10.622 ( -1.123 -0.000 -3.623) 3.794 10.713 ( 3.455 0.000 -0.147) 3.458 10.791 ( -6.682 -0.000 -5.954) 8.950 11.019 ( 4.037 0.000 5.917) 7.164 11.088 ( 7.047 0.000 -0.529) 7.067 11.088 ( 0.542 0.000 0.099) 0.551 11.283 ( -1.086 -0.000 -2.250) 2.498 16.787 ( 1.112 0.000 -1.453) 1.829 16.918 ( 2.893 0.000 2.309) 3.702 19.804 ( -14.223 -0.000 -9.834) 17.292 19.914 ( -3.574 -0.000 10.375) 10.973 21.465 ( 8.238 0.000 1.845) 8.442 21.646 ( 3.820 0.000 4.611) 5.988 21.832 ( 13.484 0.000 -3.368) 13.899 21.859 ( 0.523 0.000 5.219) 5.245 22.145 ( 5.087 0.000 -4.321) 6.674 22.380 ( 3.575 0.000 -2.116) 4.154 22.702 ( 0.500 0.000 -1.664) 1.738 22.737 ( 2.447 0.000 -1.270) 2.757 22.922 ( 1.754 0.000 -2.546) 3.092 23.207 ( 1.821 0.000 0.034) 1.821 23.663 ( -11.566 -0.000 12.905) 17.330 23.726 ( -6.608 -0.000 -9.390) 11.482 ======================= Grid point 31 (21/95) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 9.563 4.952 -0.148) 10.770 2.155 ( 8.676 9.012 0.796) 12.534 2.533 ( 19.641 3.016 4.446) 20.363 2.663 ( 23.313 7.115 4.930) 24.868 2.842 ( 9.073 11.798 3.527) 15.296 3.014 ( 1.767 0.866 -3.176) 3.736 3.091 ( 8.928 -1.793 -5.411) 10.593 3.208 ( 6.447 0.296 -3.919) 7.551 3.322 ( 5.115 -6.395 0.744) 8.223 3.452 ( -6.377 8.836 -7.037) 12.972 3.535 ( -4.480 0.082 -8.054) 9.216 3.646 ( 3.762 2.827 4.123) 6.257 3.743 ( 3.308 3.568 0.516) 4.892 3.816 ( 2.310 2.648 1.590) 3.857 3.961 ( -3.888 -4.609 -3.991) 7.231 4.103 ( 3.164 -1.358 1.458) 3.740 4.253 ( 7.910 9.537 1.818) 12.523 4.319 ( 1.669 -4.778 -1.174) 5.196 4.348 ( 5.051 9.527 2.012) 10.969 4.501 ( -1.988 -0.934 1.075) 2.446 4.614 ( 1.928 2.276 1.047) 3.162 4.648 ( 5.486 -5.895 -0.196) 8.055 4.753 ( -0.263 0.463 4.896) 4.925 4.848 ( 1.596 -5.681 3.598) 6.911 5.041 ( -9.472 0.508 -2.354) 9.773 5.103 ( -5.151 7.818 3.387) 9.956 5.175 ( -9.322 -0.398 0.263) 9.335 5.285 ( -6.405 6.656 -6.166) 11.106 5.374 ( -1.198 -4.529 -0.776) 4.749 5.488 ( -3.696 2.475 -0.599) 4.488 5.672 ( -6.527 0.508 -0.305) 6.554 5.764 ( -1.373 -2.232 2.329) 3.506 5.812 ( -1.311 -4.579 -1.016) 4.870 5.921 ( 4.017 -5.252 2.869) 7.208 5.995 ( -2.324 0.242 9.086) 9.381 6.116 ( 0.964 -1.979 0.805) 2.344 6.152 ( 2.966 3.202 -2.618) 5.090 6.188 ( 0.922 -1.579 -5.120) 5.437 6.307 ( -2.157 2.931 5.332) 6.456 6.378 ( 2.214 -6.380 -8.422) 10.795 6.431 ( 1.510 -1.887 -0.370) 2.445 6.644 ( -0.692 2.070 1.449) 2.620 6.761 ( -0.891 0.238 3.493) 3.612 6.792 ( 3.308 8.367 3.952) 9.827 6.864 ( 2.820 -0.874 5.479) 6.224 7.046 ( -0.600 -1.583 -1.670) 2.378 7.081 ( 0.216 -3.467 0.660) 3.536 7.124 ( -3.105 5.971 -1.594) 6.916 7.287 ( -1.326 -3.623 -0.043) 3.859 7.430 ( -0.689 -5.906 -3.089) 6.701 7.455 ( -1.788 4.683 -4.554) 6.772 7.629 ( 1.559 -0.693 0.377) 1.747 7.758 ( -3.045 -2.285 -8.260) 9.095 7.817 ( -1.089 -0.072 -0.864) 1.392 7.927 ( -7.609 1.267 -0.751) 7.750 8.001 ( -6.964 1.501 -5.210) 8.826 8.044 ( -5.892 -3.635 -1.447) 7.072 8.117 ( 0.841 -5.126 -0.400) 5.210 8.374 ( 1.467 -0.659 6.997) 7.180 8.529 ( -3.214 -0.383 5.342) 6.246 9.383 ( -4.018 -1.745 -4.496) 6.277 9.698 ( -1.143 1.509 -2.821) 3.398 9.788 ( -1.319 -3.440 1.598) 4.015 9.875 ( 6.440 0.035 4.155) 7.664 9.972 ( -3.584 -3.664 3.993) 6.497 10.142 ( 0.266 -1.400 0.476) 1.502 10.404 ( -6.947 4.599 4.150) 9.308 10.565 ( -3.854 1.950 -3.812) 5.760 10.752 ( -3.532 -4.301 -7.722) 9.519 10.802 ( 0.145 -6.323 0.289) 6.332 11.017 ( -1.069 3.065 0.670) 3.314 11.118 ( 3.008 1.712 3.262) 4.756 11.176 ( 1.474 -4.401 0.778) 4.706 11.308 ( 3.770 -1.666 -1.683) 4.452 16.795 ( 0.694 0.067 -1.067) 1.274 16.964 ( 2.437 -0.188 2.078) 3.208 19.612 ( -10.380 -1.376 -6.558) 12.355 19.898 ( -2.731 0.560 6.469) 7.044 21.570 ( 6.216 1.842 2.142) 6.828 21.713 ( 2.732 -0.472 6.339) 6.919 21.855 ( -0.554 2.080 4.527) 5.013 21.968 ( 12.120 3.804 -5.593) 13.880 22.229 ( 8.212 -2.078 -5.646) 10.180 22.383 ( 2.500 4.285 -2.161) 5.411 22.694 ( 0.194 1.098 -1.296) 1.710 22.779 ( 4.056 -0.379 -0.145) 4.076 22.880 ( -0.541 6.756 -1.685) 6.984 23.249 ( 1.834 -2.171 -1.067) 3.035 23.522 ( -10.650 0.956 4.313) 11.530 23.663 ( -9.111 -7.316 0.258) 11.687 ======================= Grid point 32 (22/95) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 1.795 9.824 -1.027) 10.039 2.079 ( 7.922 19.229 -1.933) 20.886 2.553 ( 4.635 15.283 1.574) 16.048 2.742 ( 4.736 7.839 1.064) 9.220 2.919 ( 13.910 8.875 5.175) 17.292 3.070 ( 9.648 1.853 -0.802) 9.857 3.193 ( 4.462 -2.373 -4.741) 6.930 3.233 ( -2.317 7.491 -6.250) 10.027 3.317 ( -0.990 6.728 -0.159) 6.802 3.401 ( 12.531 -1.015 2.113) 12.749 3.492 ( -2.519 -0.100 -3.896) 4.640 3.599 ( -8.985 0.342 0.056) 8.991 3.671 ( -0.037 2.263 1.323) 2.622 3.878 ( 5.133 1.782 1.250) 5.575 4.026 ( 8.390 3.740 -0.694) 9.212 4.119 ( -1.562 5.270 -0.868) 5.565 4.224 ( 0.440 10.237 -1.269) 10.324 4.281 ( -1.303 -2.120 6.891) 7.327 4.350 ( 3.327 3.592 -0.216) 4.901 4.513 ( -1.239 -4.532 -1.079) 4.820 4.596 ( 1.507 2.496 4.466) 5.334 4.671 ( -7.877 1.216 1.149) 8.053 4.797 ( 9.082 2.079 -4.300) 10.261 4.878 ( -2.006 2.361 1.974) 3.673 4.897 ( -0.698 2.680 6.540) 7.102 5.018 ( -6.404 -0.889 -1.113) 6.561 5.080 ( -8.602 0.251 -4.729) 9.820 5.164 ( -1.527 -0.834 -0.458) 1.799 5.422 ( 0.570 2.799 -2.045) 3.513 5.454 ( 2.534 -6.278 1.481) 6.930 5.555 ( -8.626 -2.505 -1.227) 9.066 5.769 ( -2.582 -2.913 1.278) 4.097 5.819 ( 0.724 3.804 -3.278) 5.073 5.971 ( -3.473 2.021 7.218) 8.261 5.999 ( -0.739 4.484 -1.014) 4.656 6.105 ( -0.700 1.008 0.080) 1.229 6.120 ( -1.718 -3.358 1.185) 3.954 6.246 ( 5.315 -0.705 -5.255) 7.507 6.336 ( 0.808 -4.113 5.683) 7.062 6.422 ( 3.403 1.489 -6.114) 7.154 6.503 ( -2.538 -4.297 3.575) 6.139 6.603 ( -1.176 -3.830 2.181) 4.562 6.723 ( 0.545 5.556 5.335) 7.722 6.789 ( 2.096 1.653 4.300) 5.061 6.926 ( -3.101 1.110 -5.160) 6.121 6.962 ( -1.294 4.205 1.111) 4.538 7.033 ( -2.452 1.170 -4.017) 4.850 7.122 ( 3.813 -3.053 -1.165) 5.022 7.294 ( -5.133 5.195 -7.974) 10.813 7.379 ( 3.505 -2.908 5.365) 7.038 7.538 ( 1.959 -8.889 -2.794) 9.522 7.640 ( -2.753 -2.486 -1.769) 4.109 7.747 ( 0.205 -3.516 -4.556) 5.758 7.841 ( -5.656 -4.400 1.629) 7.348 7.872 ( 0.029 0.157 5.571) 5.573 7.910 ( 2.348 -2.738 -7.108) 7.970 8.026 ( -4.758 -5.213 -1.425) 7.200 8.215 ( 0.530 -7.204 -0.013) 7.224 8.419 ( 0.987 0.813 3.731) 3.944 8.561 ( 1.156 -2.539 5.351) 6.035 9.361 ( -2.666 -4.529 -3.482) 6.304 9.668 ( -0.414 -0.198 -1.616) 1.679 9.868 ( 1.851 -7.197 1.989) 7.693 9.957 ( 3.891 0.039 2.731) 4.753 10.030 ( 1.880 -4.877 1.835) 5.539 10.157 ( -0.404 -0.150 -2.222) 2.264 10.320 ( -6.132 -3.535 5.216) 8.792 10.475 ( -2.210 4.112 -2.120) 5.127 10.698 ( -4.950 -1.270 -7.022) 8.685 10.863 ( 0.079 -3.501 -0.470) 3.533 10.978 ( -1.120 0.466 0.598) 1.352 11.124 ( 0.709 1.985 1.767) 2.751 11.264 ( 0.813 -5.448 1.913) 5.832 11.363 ( 2.215 -0.164 -1.345) 2.597 16.795 ( 0.192 0.285 -0.565) 0.662 16.999 ( 1.437 -0.033 1.219) 1.885 19.521 ( -5.106 -3.281 -2.933) 6.741 19.877 ( -1.691 0.535 2.808) 3.321 21.568 ( 1.742 7.198 0.574) 7.428 21.757 ( 0.634 1.526 5.551) 5.792 21.831 ( -1.321 0.708 0.811) 1.704 22.079 ( 13.425 2.548 -4.060) 14.255 22.309 ( 0.162 5.173 1.999) 5.549 22.364 ( 6.683 -0.829 -4.320) 8.001 22.673 ( 0.337 2.067 -1.724) 2.712 22.740 ( -5.171 6.904 -0.363) 8.634 22.845 ( 4.960 0.679 -0.199) 5.011 23.244 ( -1.603 3.553 -1.490) 4.173 23.433 ( -3.838 -1.026 0.011) 3.972 23.671 ( -7.534 -11.757 3.186) 14.322 ======================= Grid point 33 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -0.000 21.722 0.000) 21.722 1.857 ( -0.000 19.566 0.000) 19.566 2.409 ( -0.000 11.680 0.000) 11.680 2.679 ( -0.000 4.649 0.000) 4.649 2.969 ( -0.000 13.856 0.000) 13.856 2.983 ( -0.000 10.899 0.000) 10.899 3.078 ( -0.000 4.477 0.000) 4.477 3.224 ( 0.000 -0.230 -0.000) 0.230 3.371 ( -0.000 6.961 0.000) 6.961 3.392 ( -0.000 1.858 0.000) 1.858 3.470 ( 0.000 -0.079 -0.000) 0.079 3.518 ( -0.000 10.086 0.000) 10.086 3.622 ( -0.000 0.542 0.000) 0.542 3.849 ( -0.000 2.456 0.000) 2.456 3.886 ( -0.000 22.973 0.000) 22.973 4.115 ( 0.000 -5.970 -0.000) 5.970 4.118 ( -0.000 8.966 0.000) 8.966 4.165 ( -0.000 12.069 0.000) 12.069 4.436 ( -0.000 6.346 0.000) 6.346 4.561 ( -0.000 0.132 0.000) 0.132 4.562 ( 0.000 -3.479 -0.000) 3.479 4.664 ( 0.000 -14.380 -0.000) 14.380 4.858 ( 0.000 -1.378 -0.000) 1.378 4.859 ( -0.000 7.852 0.000) 7.852 4.896 ( 0.000 -2.710 -0.000) 2.710 4.937 ( 0.000 -0.121 -0.000) 0.121 5.003 ( 0.000 -3.325 -0.000) 3.325 5.180 ( 0.000 -3.458 -0.000) 3.458 5.378 ( -0.000 1.995 0.000) 1.995 5.586 ( 0.000 -9.191 -0.000) 9.191 5.594 ( 0.000 -8.116 -0.000) 8.116 5.701 ( -0.000 9.444 0.000) 9.444 5.785 ( 0.000 -0.836 -0.000) 0.836 5.874 ( -0.000 6.442 0.000) 6.442 5.952 ( -0.000 0.069 0.000) 0.069 6.063 ( -0.000 3.261 0.000) 3.261 6.213 ( -0.000 8.659 0.000) 8.659 6.221 ( 0.000 -8.490 -0.000) 8.490 6.404 ( 0.000 -2.879 -0.000) 2.879 6.423 ( 0.000 -0.155 -0.000) 0.155 6.531 ( 0.000 -3.196 -0.000) 3.196 6.667 ( -0.000 0.440 0.000) 0.440 6.721 ( 0.000 -1.207 -0.000) 1.207 6.775 ( 0.000 -0.550 -0.000) 0.550 6.837 ( -0.000 1.953 0.000) 1.953 6.887 ( -0.000 4.155 0.000) 4.155 7.050 ( 0.000 -4.143 -0.000) 4.143 7.166 ( -0.000 2.861 0.000) 2.861 7.230 ( 0.000 -3.815 -0.000) 3.815 7.429 ( 0.000 -0.556 -0.000) 0.556 7.658 ( 0.000 -6.011 -0.000) 6.011 7.663 ( 0.000 -4.866 -0.000) 4.866 7.781 ( -0.000 1.209 0.000) 1.209 7.804 ( 0.000 -3.606 -0.000) 3.606 7.899 ( -0.000 0.939 0.000) 0.939 8.042 ( 0.000 -5.528 -0.000) 5.528 8.053 ( 0.000 -10.744 -0.000) 10.744 8.315 ( 0.000 -7.273 -0.000) 7.273 8.404 ( -0.000 1.968 0.000) 1.968 8.632 ( 0.000 -4.609 -0.000) 4.609 9.413 ( 0.000 -7.283 -0.000) 7.283 9.674 ( 0.000 -1.237 -0.000) 1.237 9.979 ( -0.000 2.315 0.000) 2.315 10.012 ( 0.000 -8.744 -0.000) 8.744 10.127 ( 0.000 -3.121 -0.000) 3.121 10.135 ( 0.000 -4.047 -0.000) 4.047 10.360 ( 0.000 -1.158 -0.000) 1.158 10.389 ( -0.000 0.358 0.000) 0.358 10.662 ( 0.000 -2.183 -0.000) 2.183 10.882 ( -0.000 0.833 0.000) 0.833 10.989 ( 0.000 -3.108 -0.000) 3.108 11.113 ( 0.000 -0.000 -0.000) 0.000 11.341 ( 0.000 -4.066 -0.000) 4.066 11.352 ( -0.000 2.491 0.000) 2.491 16.791 ( -0.000 0.234 0.000) 0.234 17.010 ( -0.000 0.356 0.000) 0.356 19.527 ( 0.000 -3.090 -0.000) 3.090 19.873 ( 0.000 -1.686 -0.000) 1.686 21.466 ( -0.000 9.376 0.000) 9.376 21.724 ( -0.000 4.696 0.000) 4.696 21.821 ( -0.000 0.340 0.000) 0.340 22.158 ( -0.000 2.368 0.000) 2.368 22.208 ( -0.000 7.972 0.000) 7.972 22.475 ( 0.000 -4.715 -0.000) 4.715 22.574 ( -0.000 6.028 0.000) 6.028 22.659 ( -0.000 1.668 0.000) 1.668 22.870 ( -0.000 1.038 0.000) 1.038 23.156 ( -0.000 6.044 0.000) 6.044 23.397 ( -0.000 2.408 0.000) 2.408 23.803 ( 0.000 -14.552 -0.000) 14.552 ======================= Grid point 40 (24/95) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 2.021 0.000 2.032) 2.866 2.360 ( 9.908 0.000 -1.503) 10.022 2.803 ( 10.743 0.000 2.810) 11.105 2.966 ( -1.147 -0.000 2.091) 2.385 2.972 ( 7.084 0.000 -2.785) 7.612 3.089 ( 5.454 0.000 -8.640) 10.217 3.119 ( 16.766 0.000 5.323) 17.591 3.312 ( 3.140 0.000 -0.570) 3.191 3.398 ( 0.245 0.000 -1.467) 1.487 3.439 ( 8.850 0.000 -0.339) 8.857 3.458 ( -1.705 -0.000 -2.307) 2.869 3.647 ( -14.624 -0.000 -6.717) 16.093 3.720 ( -1.977 -0.000 -0.745) 2.113 3.898 ( 8.350 0.000 0.368) 8.358 3.941 ( 5.966 0.000 2.540) 6.484 4.065 ( -5.689 -0.000 7.866) 9.707 4.211 ( -5.097 -0.000 -4.147) 6.571 4.407 ( 5.217 0.000 2.353) 5.723 4.465 ( -3.971 -0.000 1.835) 4.375 4.519 ( 5.808 0.000 -2.288) 6.243 4.648 ( -4.967 -0.000 -2.868) 5.736 4.751 ( -2.064 -0.000 -0.596) 2.148 4.754 ( 12.238 0.000 -0.972) 12.277 4.869 ( 4.596 0.000 13.541) 14.300 4.993 ( -0.402 -0.000 2.959) 2.986 5.044 ( -7.858 -0.000 -1.382) 7.979 5.104 ( -6.753 -0.000 3.545) 7.627 5.201 ( -2.674 -0.000 -7.713) 8.164 5.284 ( -1.904 -0.000 -0.731) 2.040 5.499 ( -12.054 -0.000 -6.457) 13.674 5.543 ( 0.351 0.000 0.662) 0.749 5.676 ( -3.092 -0.000 1.464) 3.421 5.897 ( 7.406 0.000 2.336) 7.766 5.950 ( 3.729 0.000 1.847) 4.162 6.007 ( -1.798 -0.000 6.404) 6.652 6.110 ( 0.314 0.000 3.828) 3.841 6.157 ( 0.581 0.000 -3.698) 3.743 6.268 ( 4.635 0.000 0.693) 4.687 6.290 ( 1.359 0.000 -7.625) 7.746 6.325 ( -2.488 -0.000 2.883) 3.808 6.462 ( 3.426 0.000 0.255) 3.435 6.588 ( -5.610 -0.000 -2.978) 6.351 6.757 ( -0.757 -0.000 0.898) 1.174 6.880 ( 0.477 0.000 4.523) 4.548 6.988 ( 6.222 0.000 2.767) 6.810 7.048 ( -2.444 -0.000 3.337) 4.136 7.076 ( 4.366 0.000 2.937) 5.262 7.184 ( 3.695 0.000 -0.801) 3.781 7.189 ( -3.430 -0.000 -3.307) 4.765 7.332 ( -0.681 -0.000 -2.995) 3.071 7.435 ( -6.250 -0.000 -6.883) 9.297 7.590 ( -8.996 -0.000 -7.330) 11.604 7.690 ( -5.475 -0.000 -5.528) 7.780 7.713 ( 5.217 0.000 0.142) 5.219 7.868 ( -2.231 -0.000 -0.623) 2.317 7.908 ( -7.275 -0.000 5.869) 9.347 7.975 ( -2.260 -0.000 -7.579) 7.909 8.099 ( 1.106 0.000 2.443) 2.681 8.423 ( 1.971 0.000 6.141) 6.449 8.538 ( 0.808 0.000 5.541) 5.599 9.307 ( -2.950 -0.000 -3.397) 4.499 9.665 ( -2.011 -0.000 -1.184) 2.333 9.762 ( -0.291 -0.000 0.631) 0.695 9.920 ( -1.591 -0.000 2.038) 2.585 9.984 ( 7.223 0.000 2.658) 7.697 10.142 ( 0.962 0.000 0.006) 0.962 10.290 ( -11.354 -0.000 1.103) 11.407 10.553 ( -1.579 -0.000 -0.510) 1.659 10.692 ( 0.047 0.000 -2.921) 2.921 10.762 ( 0.466 0.000 -2.455) 2.499 11.036 ( -0.917 -0.000 1.080) 1.417 11.127 ( -0.950 -0.000 -0.261) 0.985 11.181 ( 1.991 0.000 2.089) 2.885 11.357 ( 4.110 0.000 -1.026) 4.236 16.801 ( 0.408 0.000 -0.576) 0.706 16.996 ( 1.421 0.000 1.261) 1.900 19.473 ( -5.673 -0.000 -3.573) 6.704 19.892 ( -1.543 -0.000 3.308) 3.650 21.670 ( 4.161 0.000 2.097) 4.660 21.764 ( 2.399 0.000 4.744) 5.316 21.849 ( -2.728 -0.000 2.230) 3.524 22.143 ( 10.651 0.000 -5.345) 11.917 22.282 ( 5.689 0.000 -5.050) 7.607 22.402 ( -2.279 -0.000 -0.592) 2.354 22.701 ( 0.280 0.000 -1.236) 1.268 22.847 ( 5.911 0.000 0.755) 5.959 22.936 ( 0.185 0.000 -1.282) 1.295 23.233 ( -0.048 -0.000 0.137) 0.145 23.396 ( -10.722 -0.000 5.776) 12.179 23.520 ( -4.107 -0.000 -2.196) 4.658 ======================= Grid point 41 (25/95) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -0.000 5.656 0.000) 5.656 2.356 ( -0.000 11.420 0.000) 11.420 2.761 ( -0.000 12.016 0.000) 12.016 2.922 ( -0.000 11.026 0.000) 11.026 3.056 ( 0.000 -8.065 -0.000) 8.065 3.117 ( -0.000 1.654 0.000) 1.654 3.245 ( -0.000 5.270 0.000) 5.270 3.286 ( -0.000 6.476 0.000) 6.476 3.367 ( 0.000 -1.369 -0.000) 1.369 3.456 ( -0.000 1.644 0.000) 1.644 3.481 ( -0.000 1.192 0.000) 1.192 3.567 ( 0.000 -2.247 -0.000) 2.247 3.663 ( -0.000 1.359 0.000) 1.359 3.996 ( 0.000 -1.418 -0.000) 1.418 4.059 ( 0.000 -3.323 -0.000) 3.323 4.099 ( 0.000 -6.154 -0.000) 6.154 4.132 ( 0.000 -0.099 -0.000) 0.099 4.341 ( -0.000 1.384 0.000) 1.384 4.413 ( -0.000 5.475 0.000) 5.475 4.518 ( -0.000 6.136 0.000) 6.136 4.656 ( -0.000 0.806 0.000) 0.806 4.700 ( -0.000 4.459 0.000) 4.459 4.882 ( -0.000 0.712 0.000) 0.712 4.886 ( 0.000 -2.765 -0.000) 2.765 4.950 ( -0.000 0.396 0.000) 0.396 4.985 ( -0.000 10.089 0.000) 10.089 5.023 ( -0.000 0.252 0.000) 0.252 5.175 ( -0.000 3.202 0.000) 3.202 5.355 ( 0.000 -8.991 -0.000) 8.991 5.385 ( 0.000 -3.944 -0.000) 3.944 5.514 ( -0.000 4.035 0.000) 4.035 5.697 ( 0.000 -4.778 -0.000) 4.778 5.923 ( -0.000 7.377 0.000) 7.377 5.967 ( -0.000 0.940 0.000) 0.940 6.018 ( 0.000 -5.279 -0.000) 5.279 6.131 ( -0.000 2.515 0.000) 2.515 6.136 ( -0.000 6.274 0.000) 6.274 6.245 ( -0.000 0.293 0.000) 0.293 6.297 ( 0.000 -2.997 -0.000) 2.997 6.389 ( 0.000 -7.790 -0.000) 7.790 6.501 ( -0.000 1.821 0.000) 1.821 6.537 ( 0.000 -2.540 -0.000) 2.540 6.755 ( -0.000 0.367 0.000) 0.367 6.869 ( -0.000 2.926 0.000) 2.926 6.990 ( -0.000 3.037 0.000) 3.037 7.003 ( -0.000 5.792 0.000) 5.792 7.034 ( -0.000 9.776 0.000) 9.776 7.161 ( 0.000 -1.192 -0.000) 1.192 7.255 ( -0.000 1.255 0.000) 1.255 7.367 ( 0.000 -8.485 -0.000) 8.485 7.468 ( 0.000 -9.756 -0.000) 9.756 7.476 ( 0.000 -2.129 -0.000) 2.129 7.678 ( 0.000 -4.008 -0.000) 4.008 7.807 ( -0.000 1.109 0.000) 1.109 7.835 ( 0.000 -4.945 -0.000) 4.945 7.888 ( 0.000 -4.576 -0.000) 4.576 7.939 ( -0.000 1.279 0.000) 1.279 8.141 ( 0.000 -4.401 -0.000) 4.401 8.448 ( -0.000 0.486 0.000) 0.486 8.561 ( 0.000 -0.757 -0.000) 0.757 9.292 ( 0.000 -2.071 -0.000) 2.071 9.653 ( 0.000 -0.465 -0.000) 0.465 9.795 ( 0.000 -5.161 -0.000) 5.161 9.934 ( 0.000 -2.916 -0.000) 2.916 10.074 ( 0.000 -1.466 -0.000) 1.466 10.142 ( -0.000 1.683 0.000) 1.683 10.205 ( 0.000 -3.558 -0.000) 3.558 10.522 ( -0.000 3.015 0.000) 3.015 10.662 ( -0.000 2.278 0.000) 2.278 10.803 ( 0.000 -5.124 -0.000) 5.124 10.993 ( -0.000 3.377 0.000) 3.377 11.177 ( -0.000 3.026 0.000) 3.026 11.183 ( 0.000 -6.962 -0.000) 6.962 11.385 ( -0.000 0.106 0.000) 0.106 16.800 ( -0.000 0.300 0.000) 0.300 17.010 ( 0.000 -0.170 -0.000) 0.170 19.442 ( 0.000 -2.170 -0.000) 2.170 19.881 ( -0.000 0.802 0.000) 0.802 21.668 ( -0.000 5.045 0.000) 5.045 21.806 ( 0.000 -0.655 -0.000) 0.655 21.810 ( -0.000 1.738 0.000) 1.738 22.204 ( -0.000 1.631 0.000) 1.631 22.346 ( 0.000 -4.343 -0.000) 4.343 22.354 ( -0.000 2.781 0.000) 2.781 22.695 ( -0.000 0.847 0.000) 0.847 22.837 ( -0.000 11.723 0.000) 11.723 22.896 ( -0.000 0.701 0.000) 0.701 23.261 ( 0.000 -0.011 -0.000) 0.011 23.359 ( 0.000 -5.955 -0.000) 5.955 23.508 ( 0.000 -4.155 -0.000) 4.155 ======================= Grid point 81 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -8.308 -0.000 24.947) 26.294 0.551 ( -0.122 -0.000 26.964) 26.964 1.095 ( -9.127 -0.000 44.900) 45.819 1.428 ( 10.682 0.000 -5.907) 12.207 1.736 ( -2.649 -0.000 -21.047) 21.213 2.106 ( 0.272 0.000 -5.094) 5.101 2.353 ( 2.517 0.000 -9.847) 10.164 2.742 ( 9.490 0.000 -15.307) 18.010 3.144 ( -0.443 -0.000 12.201) 12.209 3.174 ( 5.071 0.000 11.153) 12.252 3.258 ( -1.433 -0.000 10.722) 10.818 3.466 ( -5.006 -0.000 6.065) 7.864 3.567 ( 6.335 0.000 7.931) 10.150 3.726 ( -3.812 -0.000 -2.962) 4.828 3.760 ( -14.205 -0.000 -3.691) 14.677 3.849 ( 4.608 0.000 2.838) 5.412 3.932 ( 5.606 0.000 -11.608) 12.891 4.370 ( 3.188 0.000 -8.154) 8.756 4.501 ( -0.688 -0.000 -7.001) 7.035 4.515 ( -2.744 -0.000 0.030) 2.744 4.530 ( 8.381 0.000 -3.047) 8.918 4.572 ( -0.535 -0.000 -9.979) 9.993 4.781 ( -0.066 -0.000 -0.869) 0.872 4.924 ( 2.357 0.000 -2.600) 3.509 4.998 ( 3.090 0.000 -8.126) 8.694 5.061 ( 8.106 0.000 -7.384) 10.965 5.346 ( 0.079 0.000 11.778) 11.778 5.384 ( -7.181 -0.000 5.947) 9.324 5.390 ( 8.091 0.000 2.496) 8.467 5.721 ( -3.696 -0.000 -1.303) 3.919 5.766 ( -9.942 -0.000 8.409) 13.021 5.829 ( -5.055 -0.000 5.034) 7.134 5.865 ( 1.246 0.000 -5.770) 5.903 5.934 ( -3.421 -0.000 -6.669) 7.495 6.109 ( 1.362 0.000 2.670) 2.998 6.111 ( 3.873 0.000 -0.680) 3.932 6.219 ( -6.372 -0.000 2.569) 6.870 6.321 ( -1.981 -0.000 2.892) 3.505 6.381 ( -1.685 -0.000 -2.020) 2.631 6.456 ( 0.750 0.000 -1.433) 1.617 6.506 ( -1.812 -0.000 0.274) 1.833 6.540 ( 5.061 0.000 6.792) 8.470 6.758 ( 7.508 0.000 -9.139) 11.827 6.981 ( -2.907 -0.000 3.608) 4.634 6.994 ( -1.733 -0.000 -2.635) 3.154 7.086 ( 3.802 0.000 4.458) 5.859 7.162 ( -7.305 -0.000 2.253) 7.644 7.221 ( -0.064 -0.000 -2.343) 2.344 7.294 ( -3.288 -0.000 8.561) 9.171 7.381 ( 0.704 0.000 -7.753) 7.785 7.414 ( -1.639 -0.000 -3.965) 4.290 7.582 ( -1.463 -0.000 -3.971) 4.232 7.741 ( 0.405 0.000 6.232) 6.246 7.837 ( -2.478 -0.000 2.511) 3.528 8.062 ( 5.273 0.000 -1.412) 5.459 8.184 ( -8.266 -0.000 1.378) 8.380 8.358 ( 16.549 0.000 1.886) 16.656 8.460 ( 4.978 0.000 6.768) 8.401 8.735 ( -4.997 -0.000 -3.444) 6.069 8.831 ( -3.648 -0.000 -3.682) 5.184 9.756 ( -4.811 -0.000 4.375) 6.503 9.956 ( 0.971 0.000 0.077) 0.974 10.076 ( 6.430 0.000 -0.417) 6.443 10.097 ( -1.780 -0.000 -4.616) 4.948 10.105 ( -12.805 -0.000 1.251) 12.866 10.205 ( 20.828 0.000 -4.533) 21.315 10.430 ( 3.459 0.000 4.628) 5.778 10.530 ( 2.972 0.000 2.201) 3.698 10.713 ( -0.564 -0.000 -4.664) 4.698 10.888 ( -5.293 -0.000 -8.314) 9.855 11.007 ( -0.423 -0.000 3.656) 3.681 11.060 ( 2.683 0.000 2.311) 3.540 11.301 ( 1.528 0.000 2.964) 3.335 11.343 ( -1.408 -0.000 0.073) 1.410 16.768 ( 0.216 0.000 0.261) 0.339 16.788 ( -0.282 -0.000 -0.472) 0.550 20.357 ( 48.302 0.000 3.059) 48.399 20.528 ( -9.227 -0.000 -3.238) 9.778 21.043 ( -0.903 -0.000 5.155) 5.233 21.388 ( 2.384 0.000 -8.675) 8.997 21.836 ( -5.969 -0.000 3.255) 6.799 21.941 ( 1.034 0.000 -1.499) 1.821 22.168 ( 5.027 0.000 6.396) 8.135 22.506 ( -8.461 -0.000 -7.089) 11.038 22.616 ( 1.547 0.000 1.638) 2.253 22.698 ( -5.327 -0.000 -0.291) 5.335 22.882 ( 12.231 0.000 -0.103) 12.231 22.927 ( -5.333 -0.000 -0.819) 5.396 23.351 ( 10.570 0.000 5.647) 11.984 23.575 ( -41.495 -0.000 -3.243) 41.621 ======================= Grid point 82 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -0.264 -2.268 23.606) 23.717 0.860 ( 6.841 -17.875 20.356) 27.941 1.416 ( 11.607 -16.164 27.060) 33.589 1.621 ( 12.388 -5.453 -18.627) 23.025 1.671 ( 2.223 -9.168 -11.870) 15.163 2.216 ( 8.866 -9.826 2.137) 13.406 2.479 ( 10.907 -8.147 -7.896) 15.738 2.839 ( 7.429 -0.415 -11.954) 14.080 3.029 ( -1.997 10.441 8.894) 13.861 3.164 ( -5.142 4.555 10.414) 12.476 3.316 ( -2.079 -3.986 9.866) 10.842 3.454 ( -5.323 0.316 1.007) 5.427 3.582 ( -1.664 1.067 1.086) 2.256 3.654 ( -3.769 -5.983 -0.490) 7.088 3.721 ( 2.282 -2.999 4.757) 6.069 3.967 ( 5.380 2.732 -10.248) 11.893 4.038 ( 13.999 0.362 2.295) 14.190 4.308 ( -5.901 2.929 -3.580) 7.498 4.362 ( -2.783 4.182 -12.316) 13.301 4.435 ( -6.526 2.658 -7.687) 10.428 4.527 ( 3.752 -0.286 -3.297) 5.003 4.691 ( 5.594 0.013 -5.180) 7.624 4.741 ( -1.819 1.187 -4.191) 4.721 4.948 ( 4.388 -0.955 -4.269) 6.196 5.077 ( 3.744 -6.382 -6.098) 9.588 5.156 ( 8.221 0.090 -2.859) 8.705 5.348 ( 0.644 1.626 0.395) 1.793 5.377 ( -0.250 -1.068 7.893) 7.969 5.549 ( -0.208 1.317 6.009) 6.155 5.614 ( -2.599 -0.354 2.469) 3.602 5.671 ( -5.378 -2.114 1.930) 6.093 5.775 ( -2.658 2.613 4.370) 5.743 5.807 ( -2.536 3.707 -3.401) 5.634 5.928 ( 0.962 0.743 -0.282) 1.248 6.079 ( -5.615 4.542 0.871) 7.274 6.109 ( 4.212 4.125 -2.821) 6.536 6.153 ( 0.277 -0.218 -3.489) 3.507 6.260 ( -2.233 3.607 0.004) 4.243 6.348 ( -4.412 -2.622 1.146) 5.259 6.490 ( 0.730 -0.014 2.112) 2.235 6.559 ( 3.511 -0.657 0.514) 3.609 6.640 ( 5.376 0.101 2.818) 6.071 6.824 ( -1.025 8.726 2.140) 9.043 6.882 ( 7.465 -2.217 -6.129) 9.910 6.941 ( -6.542 -0.688 2.214) 6.941 7.092 ( -4.895 -2.264 0.120) 5.395 7.114 ( -4.849 -3.481 4.336) 7.378 7.258 ( -1.467 0.539 1.925) 2.480 7.298 ( 5.613 0.382 -0.029) 5.626 7.404 ( 3.132 0.715 -2.997) 4.393 7.453 ( 6.447 -4.054 -1.035) 7.686 7.575 ( -2.683 -3.098 -1.391) 4.328 7.726 ( -2.233 2.441 5.710) 6.599 7.875 ( -2.280 -6.208 1.857) 6.869 7.992 ( -3.641 4.852 2.221) 6.460 8.155 ( 1.753 -2.013 -0.578) 2.731 8.487 ( 4.184 5.074 9.362) 11.441 8.583 ( -0.405 3.958 -9.270) 10.087 8.656 ( 0.000 -2.607 -6.646) 7.139 8.778 ( -1.109 -1.068 -1.203) 1.954 9.696 ( -4.350 0.191 3.817) 5.790 9.934 ( -2.582 3.950 -1.103) 4.846 9.937 ( -11.509 -0.025 -1.071) 11.559 10.057 ( -0.096 -0.109 -2.079) 2.084 10.159 ( 6.925 1.698 -1.851) 7.367 10.344 ( 0.107 12.658 9.094) 15.586 10.377 ( 5.507 -2.704 1.276) 6.266 10.640 ( -1.050 -5.132 1.248) 5.385 10.708 ( -2.184 1.987 -8.725) 9.211 10.804 ( -5.237 -10.153 -6.835) 13.313 10.989 ( -1.080 1.860 3.259) 3.905 11.122 ( 2.643 -1.693 -0.440) 3.169 11.277 ( -2.242 2.424 2.426) 4.097 11.369 ( 0.210 -5.951 0.183) 5.958 16.766 ( -0.547 -0.329 0.360) 0.733 16.800 ( -0.477 -2.095 -1.341) 2.532 20.313 ( -7.274 10.989 -6.817) 14.838 20.568 ( 10.050 21.435 5.405) 24.283 21.107 ( 3.443 -3.599 5.159) 7.171 21.420 ( 3.905 2.260 -6.375) 7.811 21.525 ( -18.745 2.340 12.275) 22.528 21.902 ( -0.486 0.276 1.274) 1.391 22.207 ( -8.750 4.554 1.608) 9.994 22.251 ( -3.024 4.145 3.528) 6.227 22.645 ( -1.295 -0.250 -0.166) 1.329 22.647 ( 1.704 0.261 2.562) 3.088 22.884 ( -2.337 -1.917 -4.073) 5.072 23.008 ( 5.310 -0.215 0.872) 5.385 23.530 ( 21.271 -5.173 10.954) 24.479 23.672 ( -1.181 -16.712 -18.520) 24.974 ======================= Grid point 83 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 4.852 8.281 15.389) 18.136 1.255 ( 11.599 -11.557 15.673) 22.666 1.565 ( -5.015 -13.844 -13.001) 19.643 1.930 ( 12.415 -13.757 -10.973) 21.536 2.065 ( 17.245 -18.915 9.802) 27.409 2.478 ( -2.140 -9.938 7.518) 12.644 2.715 ( 6.045 -8.611 -0.957) 10.565 2.839 ( 1.262 -3.321 5.588) 6.622 2.953 ( 7.423 5.960 -1.553) 9.646 3.170 ( 4.283 -1.262 -1.202) 4.624 3.305 ( 0.078 5.650 -4.361) 7.138 3.417 ( 1.409 -0.244 10.455) 10.552 3.591 ( -0.162 2.466 -0.626) 2.550 3.663 ( -1.284 -3.756 -0.564) 4.009 3.833 ( -0.932 -5.987 6.335) 8.766 3.900 ( -0.904 7.041 -5.957) 9.267 4.067 ( -5.312 4.690 -0.888) 7.142 4.203 ( -3.736 3.948 -12.528) 13.657 4.314 ( 1.950 3.737 -4.264) 5.996 4.356 ( 13.009 -2.532 -0.713) 13.272 4.568 ( -2.392 2.579 -1.755) 3.931 4.608 ( -1.574 -3.880 0.996) 4.303 4.820 ( 6.641 -5.205 -12.652) 15.208 5.025 ( 3.982 -3.328 -1.823) 5.501 5.159 ( 1.178 -0.641 -2.147) 2.532 5.236 ( 4.443 2.535 1.983) 5.487 5.346 ( 4.503 2.394 -6.089) 7.943 5.415 ( -2.846 -3.019 4.006) 5.767 5.462 ( -0.258 2.906 -1.251) 3.175 5.519 ( -8.425 1.675 2.516) 8.951 5.657 ( -5.662 3.555 5.900) 8.916 5.695 ( 0.955 4.942 0.184) 5.037 5.845 ( 5.260 3.718 0.087) 6.442 5.907 ( -0.602 -6.369 -0.816) 6.449 6.018 ( -2.421 -1.834 4.839) 5.713 6.081 ( 3.848 6.160 -4.533) 8.561 6.123 ( 1.319 3.855 -1.991) 4.535 6.234 ( 0.804 -0.375 1.033) 1.361 6.349 ( -2.969 -4.410 2.988) 6.098 6.469 ( -0.966 5.534 2.906) 6.325 6.546 ( -0.413 5.033 -0.374) 5.064 6.681 ( 4.007 4.315 5.082) 7.778 6.745 ( 0.356 2.325 -2.952) 3.775 6.879 ( -2.820 -2.020 4.728) 5.864 6.990 ( -7.374 1.228 3.483) 8.247 7.048 ( 4.282 -2.603 -4.931) 7.030 7.147 ( 1.681 -4.093 1.498) 4.671 7.272 ( -1.830 -5.973 -1.058) 6.336 7.364 ( 2.607 -0.285 -0.013) 2.623 7.438 ( 5.823 2.548 0.722) 6.397 7.535 ( 2.145 0.669 -2.346) 3.248 7.616 ( -0.367 -4.891 4.158) 6.430 7.676 ( -3.472 -1.196 -0.208) 3.678 7.878 ( -3.374 0.072 0.053) 3.375 7.973 ( -1.232 -2.820 3.021) 4.312 8.192 ( 2.604 1.257 1.140) 3.108 8.347 ( -10.356 3.773 -8.909) 14.173 8.509 ( -4.209 5.056 4.945) 8.230 8.604 ( 1.967 4.970 -8.363) 9.925 8.788 ( -0.207 2.080 0.133) 2.095 9.668 ( -2.886 0.032 3.467) 4.511 9.752 ( -12.002 0.513 -1.664) 12.128 9.844 ( -2.802 3.274 -0.394) 4.327 10.059 ( 0.503 1.170 -2.389) 2.707 10.163 ( 0.034 4.512 4.315) 6.243 10.233 ( -3.866 3.941 5.701) 7.936 10.508 ( 4.930 -5.026 2.559) 7.490 10.526 ( -4.407 5.085 -2.855) 7.309 10.754 ( 0.586 -4.235 -0.367) 4.291 10.840 ( -2.408 -5.054 -4.526) 7.199 10.992 ( 2.332 -0.436 2.430) 3.396 11.165 ( 1.995 -0.737 -2.992) 3.671 11.251 ( 1.059 -0.156 -0.953) 1.433 11.450 ( -1.532 -7.095 -0.600) 7.283 16.771 ( -0.458 -1.303 0.078) 1.384 16.820 ( 0.430 -1.791 -0.400) 1.885 20.078 ( -2.497 9.431 -6.297) 11.612 20.370 ( -1.974 18.243 11.143) 21.468 21.232 ( 3.561 -4.393 6.229) 8.413 21.378 ( -0.751 -2.734 -0.892) 2.972 21.525 ( 4.582 -1.629 -6.330) 7.982 21.871 ( -12.927 -4.280 0.518) 13.627 21.985 ( -3.315 5.492 1.063) 6.503 22.266 ( 0.013 2.156 10.254) 10.479 22.643 ( 0.066 -0.898 -0.666) 1.120 22.672 ( 1.362 0.877 2.821) 3.253 22.859 ( -1.546 -0.922 -4.710) 5.042 23.076 ( 3.069 -1.317 1.544) 3.679 23.708 ( 1.464 -1.812 -18.719) 18.864 23.896 ( 14.250 -5.686 9.145) 17.861 ======================= Grid point 84 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 7.764 17.704 8.494) 21.115 1.477 ( 2.137 -2.552 4.584) 5.665 1.758 ( 5.080 -17.675 -0.864) 18.410 2.181 ( 4.581 -9.577 -9.948) 14.549 2.403 ( 3.185 -7.826 1.571) 8.594 2.474 ( -8.624 -7.495 7.536) 13.687 2.767 ( -0.995 7.186 7.993) 10.794 2.936 ( 6.713 -4.576 -5.167) 9.628 3.225 ( 8.389 -7.475 -2.868) 11.596 3.241 ( 8.735 -3.894 -2.210) 9.816 3.288 ( 4.032 -0.251 7.001) 8.083 3.432 ( -1.401 4.021 11.181) 11.964 3.493 ( -0.911 3.763 -9.499) 10.258 3.715 ( -2.423 0.302 6.002) 6.480 3.756 ( -3.863 3.007 0.402) 4.912 3.869 ( -3.802 0.071 -1.996) 4.295 3.957 ( 0.595 -0.163 0.934) 1.120 4.098 ( 0.103 -1.621 -12.556) 12.660 4.316 ( 3.727 2.148 -3.249) 5.391 4.461 ( 1.169 -1.499 -1.674) 2.533 4.633 ( 0.127 0.459 4.674) 4.698 4.708 ( 10.652 -9.209 0.532) 14.091 4.914 ( 4.094 -4.420 -13.208) 14.517 5.035 ( -6.980 11.328 3.855) 13.853 5.109 ( 4.899 0.447 -1.666) 5.194 5.230 ( -2.651 4.010 1.685) 5.094 5.330 ( -2.155 -2.521 -8.391) 9.022 5.368 ( -2.064 1.706 1.135) 2.908 5.453 ( 4.652 0.328 -4.943) 6.796 5.523 ( 7.309 -0.355 -1.032) 7.390 5.591 ( -0.824 -1.320 3.995) 4.287 5.754 ( 3.308 -4.976 -2.458) 6.462 5.832 ( 0.135 -3.564 0.935) 3.687 5.999 ( 0.194 -0.585 6.230) 6.261 6.011 ( 2.169 4.899 -1.932) 5.695 6.069 ( 2.133 0.964 1.275) 2.665 6.111 ( 2.777 0.982 0.798) 3.052 6.259 ( 0.816 -0.050 3.596) 3.688 6.370 ( -1.057 7.346 0.949) 7.482 6.394 ( -1.453 -3.214 3.365) 4.875 6.462 ( 0.623 4.691 -0.711) 4.785 6.697 ( -1.617 0.352 7.940) 8.110 6.708 ( 2.281 5.076 -3.060) 6.351 6.867 ( -3.508 1.154 3.175) 4.870 6.886 ( -6.655 -0.755 4.632) 8.143 7.121 ( 4.078 -2.049 -1.324) 4.752 7.213 ( 2.780 0.366 -1.972) 3.428 7.320 ( -5.332 -5.475 -2.844) 8.155 7.380 ( 1.509 -2.434 0.998) 3.033 7.515 ( 3.798 0.916 2.876) 4.852 7.540 ( 2.699 0.852 -1.066) 3.025 7.595 ( -2.433 1.655 4.534) 5.405 7.730 ( -3.372 -8.223 -0.818) 8.925 7.804 ( -3.123 3.111 -3.085) 5.380 7.972 ( -3.064 -0.923 -3.296) 4.594 8.142 ( -3.283 6.157 -7.015) 9.894 8.196 ( -1.116 2.291 -2.426) 3.518 8.404 ( -5.372 -0.332 6.072) 8.114 8.529 ( 1.895 6.694 -1.693) 7.160 8.701 ( -5.039 4.872 -1.874) 7.255 9.579 ( -5.615 2.383 1.061) 6.191 9.655 ( -4.229 0.737 1.348) 4.500 9.800 ( -1.876 -1.161 1.040) 2.439 9.993 ( -3.348 2.851 -2.814) 5.220 10.131 ( -3.747 4.089 5.169) 7.581 10.175 ( 0.977 -0.530 0.879) 1.417 10.416 ( -2.212 3.425 2.816) 4.955 10.654 ( 4.159 -4.951 -0.803) 6.516 10.786 ( -1.505 -2.082 -0.123) 2.571 10.844 ( -0.153 -0.935 -3.603) 3.725 11.054 ( 4.107 0.038 -0.035) 4.107 11.180 ( 1.674 0.029 1.227) 2.076 11.301 ( 2.155 -3.934 -3.704) 5.817 11.499 ( -2.397 -5.073 -1.057) 5.709 16.785 ( -0.294 -1.649 -0.278) 1.698 16.854 ( 1.295 -1.155 0.999) 2.002 19.962 ( 0.767 3.445 -8.961) 9.631 20.167 ( -2.995 13.085 11.324) 17.562 21.349 ( 1.993 -4.102 5.768) 7.353 21.433 ( 2.844 -2.716 -4.964) 6.332 21.563 ( 0.832 -0.685 -4.769) 4.889 21.735 ( -5.873 -0.834 -0.183) 5.935 21.953 ( -2.122 -0.465 2.357) 3.205 22.261 ( -2.161 2.630 12.163) 12.631 22.660 ( 0.744 -0.809 -0.342) 1.151 22.681 ( 0.541 0.889 1.997) 2.252 22.836 ( -1.138 -1.260 -5.096) 5.371 23.130 ( 1.197 -1.249 1.180) 2.094 23.658 ( 2.051 1.443 -19.268) 19.430 24.128 ( 7.635 -2.591 10.422) 13.176 ======================= Grid point 85 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 1.983 8.552 4.369) 9.806 1.541 ( 4.314 -0.275 7.106) 8.318 1.983 ( 2.544 -6.306 -3.935) 7.856 2.155 ( -2.266 7.609 -9.055) 12.043 2.472 ( -4.588 -8.483 3.989) 10.437 2.547 ( 1.821 -3.452 3.460) 5.216 2.765 ( -2.539 -2.085 8.019) 8.666 3.007 ( 7.150 1.215 -6.192) 9.536 3.142 ( -7.261 3.120 -3.073) 8.480 3.290 ( 0.782 1.584 -0.132) 1.772 3.386 ( 1.307 0.641 -2.453) 2.853 3.466 ( 2.270 -0.339 6.625) 7.011 3.542 ( -3.596 4.749 3.930) 7.137 3.638 ( 6.619 -2.350 -2.679) 7.517 3.687 ( -5.449 -0.736 0.715) 5.544 3.920 ( 2.336 -7.345 -1.235) 7.806 4.033 ( 3.243 -4.521 1.194) 5.690 4.157 ( 4.291 -3.429 0.725) 5.540 4.330 ( 3.866 1.146 -2.876) 4.953 4.505 ( 0.947 -1.194 -3.034) 3.395 4.585 ( -2.035 3.705 4.334) 6.054 4.769 ( -7.860 10.289 2.878) 13.264 4.882 ( -0.915 -2.357 -5.654) 6.194 4.994 ( 5.832 -3.692 -3.566) 7.769 5.126 ( -2.000 0.944 2.116) 3.061 5.130 ( -1.728 1.718 -5.378) 5.904 5.327 ( -1.188 -3.893 -3.578) 5.419 5.351 ( 0.635 0.896 -2.858) 3.062 5.481 ( -0.453 2.590 0.850) 2.763 5.650 ( -0.541 -4.906 3.131) 5.845 5.662 ( 8.181 -4.272 -5.613) 10.802 5.798 ( 0.927 -4.885 -5.970) 7.769 5.916 ( 0.162 11.176 2.511) 11.456 5.976 ( 2.962 -6.871 -3.318) 8.185 6.006 ( 3.006 2.260 -2.389) 4.455 6.127 ( 4.135 -3.954 1.541) 5.925 6.179 ( 4.547 -3.477 5.730) 8.099 6.264 ( -1.010 5.357 0.166) 5.454 6.280 ( -0.399 2.229 6.666) 7.040 6.386 ( -0.653 1.197 4.412) 4.617 6.491 ( 4.168 -0.726 2.848) 5.100 6.657 ( 2.043 5.393 -0.286) 5.774 6.687 ( -2.961 -1.402 4.423) 5.504 6.816 ( -2.284 1.876 1.129) 3.164 6.856 ( -2.918 0.142 9.540) 9.977 7.185 ( -1.275 1.792 -3.556) 4.181 7.200 ( 3.982 -0.234 1.315) 4.201 7.292 ( -4.869 -4.222 -3.781) 7.472 7.404 ( -4.459 2.566 -1.953) 5.502 7.477 ( 0.032 0.864 1.623) 1.839 7.546 ( -1.065 1.444 0.746) 1.943 7.617 ( 1.785 0.840 3.547) 4.058 7.682 ( -9.115 -3.535 -3.090) 10.253 7.790 ( 0.939 -1.949 -3.817) 4.387 7.938 ( 3.445 1.623 -8.579) 9.386 8.052 ( 1.176 1.586 -1.056) 2.239 8.105 ( -3.196 3.797 -2.099) 5.388 8.434 ( -1.153 -4.368 2.943) 5.392 8.511 ( -2.144 -1.052 3.050) 3.874 8.555 ( 0.025 5.585 -0.636) 5.621 9.521 ( -1.290 0.284 1.489) 1.991 9.596 ( -2.066 1.468 0.780) 2.652 9.805 ( -1.514 -2.268 -0.447) 2.763 9.916 ( -2.071 0.988 -1.843) 2.943 10.047 ( -3.119 2.380 1.084) 4.070 10.213 ( 3.479 2.174 2.821) 4.979 10.389 ( 0.151 1.230 4.970) 5.122 10.705 ( -2.360 -2.300 -5.264) 6.211 10.795 ( 1.125 0.500 -0.267) 1.260 10.841 ( -0.342 -2.413 -1.848) 3.058 11.083 ( 1.849 1.112 -1.635) 2.707 11.222 ( 0.729 -0.863 4.287) 4.433 11.357 ( 2.730 -1.247 -3.339) 4.490 11.514 ( -1.778 -2.536 -1.372) 3.388 16.799 ( -0.412 -1.191 -0.438) 1.334 16.885 ( 1.349 0.025 1.610) 2.101 19.881 ( -2.715 4.326 -7.292) 8.902 20.090 ( 1.779 1.626 8.471) 8.807 21.410 ( -1.919 -0.237 -0.433) 1.982 21.443 ( -1.025 -1.633 2.502) 3.159 21.583 ( 4.849 -0.814 -3.976) 6.323 21.753 ( 5.478 -0.275 -2.807) 6.161 21.923 ( -4.781 -0.970 1.205) 5.025 22.233 ( -4.686 2.210 14.853) 15.731 22.667 ( 0.186 0.792 0.754) 1.109 22.690 ( 0.398 -0.555 0.517) 0.857 22.825 ( -1.056 -2.272 -4.988) 5.582 23.142 ( -0.424 0.275 -1.072) 1.185 23.595 ( 1.579 2.162 -16.097) 16.318 24.265 ( 3.537 -2.056 8.775) 9.682 ======================= Grid point 86 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -8.874 -17.446 4.864) 20.169 1.639 ( 5.297 5.367 8.847) 11.624 1.954 ( -2.995 6.430 -6.056) 9.326 1.980 ( 3.629 9.559 -4.655) 11.234 2.514 ( -4.445 -0.816 2.869) 5.353 2.557 ( -1.517 3.712 -2.591) 4.774 2.783 ( -1.962 -6.804 7.810) 10.542 3.045 ( 0.426 0.600 -0.340) 0.811 3.100 ( -0.112 -3.682 -1.086) 3.841 3.253 ( -1.339 2.969 -4.188) 5.306 3.366 ( -0.791 5.298 0.800) 5.416 3.443 ( 1.968 -2.521 -0.853) 3.310 3.506 ( -3.423 4.223 2.541) 6.001 3.654 ( 2.234 -1.996 1.637) 3.414 3.723 ( 2.574 1.934 2.254) 3.930 3.961 ( -5.036 -2.368 -2.462) 6.085 4.133 ( 1.278 -0.725 -4.927) 5.142 4.199 ( -3.170 2.507 5.071) 6.484 4.376 ( 2.484 -0.488 -0.029) 2.532 4.487 ( -2.602 -0.381 6.356) 6.879 4.520 ( 0.835 2.605 -3.585) 4.510 4.689 ( 3.514 -2.523 0.857) 4.410 4.840 ( -3.404 0.032 -8.499) 9.155 5.011 ( -2.473 2.478 0.214) 3.508 5.089 ( -1.030 -1.472 -4.353) 4.709 5.114 ( 0.254 -1.884 -1.579) 2.471 5.288 ( -4.519 -2.509 -1.569) 5.402 5.364 ( 0.023 0.142 -4.398) 4.400 5.430 ( -3.382 -0.791 1.684) 3.860 5.691 ( -1.539 1.864 -0.972) 2.605 5.725 ( -5.004 1.491 1.523) 5.439 5.763 ( 1.987 1.675 -2.770) 3.798 5.886 ( -0.761 -1.619 -1.888) 2.601 5.962 ( 3.202 0.975 -3.124) 4.578 6.086 ( 1.864 -3.186 -2.657) 4.548 6.184 ( -0.122 1.467 -3.610) 3.899 6.241 ( -0.660 -1.760 3.424) 3.906 6.309 ( 6.288 -4.204 -5.773) 9.516 6.335 ( 2.545 -1.906 9.804) 10.307 6.385 ( 0.266 1.309 11.475) 11.552 6.595 ( 5.131 -0.873 0.968) 5.294 6.669 ( 5.382 0.954 5.282) 7.601 6.690 ( -1.251 -1.044 7.019) 7.205 6.764 ( -2.091 2.900 3.262) 4.840 6.848 ( 0.263 1.715 8.290) 8.470 7.108 ( -6.446 -0.953 -3.649) 7.468 7.229 ( -4.940 0.763 -9.555) 10.783 7.272 ( -1.273 -2.817 1.007) 3.251 7.289 ( 2.927 3.132 -1.718) 4.619 7.475 ( -0.313 -0.305 -1.540) 1.601 7.510 ( 0.526 6.071 1.126) 6.197 7.614 ( -4.845 -1.589 -0.591) 5.133 7.643 ( 0.349 -4.405 1.197) 4.578 7.815 ( 0.310 -1.505 -1.333) 2.034 7.960 ( 7.766 2.204 -9.413) 12.400 8.027 ( -0.921 1.279 -0.402) 1.627 8.116 ( 3.990 -0.476 4.753) 6.224 8.363 ( -5.267 -1.595 -7.771) 9.523 8.559 ( 0.212 -5.535 0.533) 5.565 8.625 ( 4.535 -2.527 6.595) 8.393 9.542 ( 2.282 -1.386 1.484) 3.055 9.590 ( 1.529 -1.404 0.344) 2.104 9.814 ( -0.971 -2.448 0.141) 2.637 9.901 ( -0.365 -0.918 -1.270) 1.609 10.007 ( 1.207 1.530 0.868) 2.133 10.213 ( 2.422 5.441 2.349) 6.402 10.417 ( 1.504 -0.741 4.473) 4.777 10.656 ( -3.065 0.206 -3.911) 4.974 10.783 ( -0.592 0.437 -1.589) 1.751 10.882 ( 0.150 -3.128 -1.324) 3.400 11.071 ( -0.189 1.277 -1.380) 1.890 11.220 ( -3.183 0.946 2.927) 4.427 11.374 ( 2.834 3.345 -2.624) 5.109 11.512 ( -0.414 -0.275 -1.304) 1.396 16.800 ( -0.633 -0.377 -0.364) 0.821 16.899 ( 1.184 1.240 1.544) 2.307 19.748 ( -4.334 4.895 -3.096) 7.234 20.196 ( 2.518 -8.199 4.302) 9.596 21.346 ( -3.433 2.599 0.908) 4.400 21.482 ( 2.432 -1.232 0.189) 2.733 21.653 ( 8.117 2.117 -5.662) 10.121 21.826 ( 6.766 1.952 0.242) 7.046 21.869 ( -5.043 -2.102 -1.537) 5.676 22.190 ( -7.579 0.714 18.048) 19.588 22.658 ( -0.465 0.681 0.389) 0.912 22.696 ( -0.516 0.085 0.087) 0.530 22.830 ( -1.329 -3.482 -4.254) 5.656 23.110 ( -0.734 1.705 -3.232) 3.727 23.519 ( -0.937 2.538 -12.262) 12.557 24.354 ( 1.439 -2.664 6.300) 6.991 ======================= Grid point 87 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -14.236 -26.634 9.159) 31.559 1.463 ( -12.011 14.256 5.021) 19.306 1.777 ( 8.533 20.128 -7.666) 23.167 2.068 ( 9.188 -2.982 4.293) 10.570 2.281 ( -10.179 13.202 -1.321) 16.723 2.549 ( -4.175 0.056 0.777) 4.247 2.898 ( -2.824 -4.697 8.028) 9.720 2.980 ( -4.191 2.242 3.145) 5.700 3.034 ( -12.889 14.928 -5.550) 20.488 3.164 ( 5.179 -1.565 -5.339) 7.602 3.322 ( -0.496 3.946 4.903) 6.313 3.381 ( -2.199 2.316 4.109) 5.204 3.510 ( 1.102 1.131 -0.690) 1.723 3.706 ( -1.374 3.345 1.360) 3.864 3.784 ( 6.190 -6.784 1.423) 9.293 3.897 ( -4.257 -0.973 -0.923) 4.464 4.048 ( -4.593 1.855 -8.125) 9.516 4.109 ( -2.307 1.495 0.386) 2.775 4.368 ( 1.265 -0.520 1.617) 2.119 4.390 ( -2.017 6.868 -9.576) 11.956 4.659 ( 2.032 -4.431 7.379) 8.843 4.689 ( 0.397 1.285 -2.270) 2.639 4.869 ( 2.167 -6.763 -7.114) 10.052 5.023 ( -5.361 -5.135 1.542) 7.582 5.080 ( 4.033 -0.820 -5.366) 6.763 5.137 ( -1.867 -1.232 0.496) 2.292 5.275 ( -0.789 -1.671 -0.823) 2.023 5.321 ( 0.020 0.971 -6.002) 6.080 5.415 ( -0.293 -1.203 -1.802) 2.186 5.558 ( -5.266 1.088 0.677) 5.420 5.670 ( -5.046 0.759 2.582) 5.719 5.781 ( -1.379 -2.654 -2.305) 3.776 5.851 ( -0.283 2.309 1.483) 2.759 6.019 ( 1.931 -2.037 -2.705) 3.898 6.091 ( 0.954 -0.898 2.154) 2.521 6.199 ( 0.345 -1.086 -4.967) 5.096 6.297 ( -0.580 1.560 -1.193) 2.048 6.312 ( -0.909 -6.173 5.127) 8.076 6.393 ( -2.833 -0.433 7.761) 8.273 6.454 ( 3.509 -0.031 3.766) 5.147 6.548 ( -6.837 4.149 2.206) 8.296 6.640 ( -0.201 3.135 3.956) 5.052 6.780 ( 2.447 -2.807 3.165) 4.888 6.833 ( 6.425 5.041 5.402) 9.792 6.928 ( 5.399 -6.387 1.949) 8.587 7.018 ( -6.860 -2.321 1.221) 7.344 7.133 ( -3.890 0.686 -4.015) 5.632 7.246 ( -2.351 -2.152 -4.809) 5.769 7.357 ( 4.463 -0.285 -2.077) 4.931 7.429 ( -3.725 -0.193 -2.698) 4.604 7.502 ( 5.576 3.394 4.166) 7.743 7.594 ( 0.982 -0.412 0.967) 1.438 7.716 ( 3.306 0.465 1.933) 3.858 7.814 ( -0.814 0.261 -1.126) 1.413 7.985 ( -0.120 3.970 -1.904) 4.404 8.005 ( 3.103 -1.708 -7.946) 8.699 8.194 ( 5.143 0.829 7.102) 8.808 8.386 ( 1.758 -9.208 -7.236) 11.842 8.624 ( -1.306 -6.223 -0.850) 6.415 8.724 ( 2.614 -2.500 0.240) 3.625 9.617 ( 3.923 -2.654 0.936) 4.828 9.687 ( 5.366 -5.347 1.836) 7.795 9.863 ( 1.936 -3.017 4.255) 5.564 9.877 ( -1.781 1.956 -1.161) 2.889 10.068 ( 5.894 -2.461 -0.265) 6.392 10.166 ( 0.811 5.855 2.047) 6.255 10.460 ( 0.839 -0.776 0.611) 1.296 10.615 ( -2.271 -1.274 1.146) 2.845 10.768 ( 0.919 1.218 -0.531) 1.616 10.900 ( 0.206 -0.719 -3.130) 3.218 11.048 ( -0.145 0.781 -1.110) 1.365 11.139 ( -5.606 2.989 1.121) 6.452 11.320 ( 0.723 6.952 -2.731) 7.504 11.498 ( 0.339 1.893 -1.115) 2.223 16.791 ( -0.583 0.197 -0.168) 0.638 16.897 ( 1.137 2.239 0.816) 2.641 19.624 ( -4.297 3.881 -1.060) 5.886 20.370 ( -0.817 -13.549 3.775) 14.089 21.258 ( -5.031 3.110 2.403) 6.384 21.556 ( 9.142 0.734 -3.751) 9.908 21.661 ( 1.962 4.543 -6.494) 8.164 21.862 ( 3.046 -0.233 3.187) 4.415 21.886 ( 5.912 2.093 -3.464) 7.165 22.158 ( -8.546 -2.508 21.373) 23.155 22.639 ( -1.164 0.530 -0.115) 1.284 22.673 ( -1.596 0.871 -1.113) 2.131 22.848 ( -1.584 -4.474 -3.262) 5.759 23.064 ( -0.654 1.893 -3.251) 3.819 23.409 ( -4.432 2.723 -9.132) 10.510 24.421 ( 0.332 -3.038 2.789) 4.137 ======================= Grid point 88 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -18.077 -9.661 11.420) 23.463 1.116 ( -17.303 11.295 15.021) 25.546 1.617 ( 12.360 22.935 -6.530) 26.859 1.900 ( -14.026 15.016 -7.048) 21.723 2.173 ( -11.107 9.720 3.189) 15.100 2.328 ( -7.677 4.585 3.304) 9.532 2.654 ( -13.935 5.430 0.075) 14.956 2.803 ( -4.914 7.147 3.472) 9.342 3.005 ( -4.435 -1.886 8.515) 9.784 3.234 ( 7.802 2.787 -9.705) 12.760 3.282 ( -1.628 1.271 -1.695) 2.672 3.380 ( 3.383 3.789 2.400) 5.618 3.449 ( -2.802 1.861 3.819) 5.089 3.626 ( 1.959 3.120 3.273) 4.928 3.888 ( -0.113 -1.302 0.436) 1.378 3.940 ( 2.827 -0.941 -3.791) 4.822 3.984 ( -0.833 -4.720 -2.455) 5.385 4.173 ( 0.665 -8.772 1.874) 8.995 4.323 ( 5.743 1.068 -9.402) 11.069 4.428 ( 3.031 -2.924 -0.459) 4.237 4.616 ( 3.696 3.506 -8.039) 9.517 4.717 ( -6.225 -2.176 -5.567) 8.630 4.865 ( -7.029 1.896 -0.384) 7.291 4.966 ( -1.071 -1.079 -2.211) 2.683 5.100 ( -3.955 0.621 -2.340) 4.637 5.143 ( 3.822 3.626 -5.032) 7.286 5.243 ( -1.649 2.309 -2.264) 3.630 5.341 ( 2.924 -2.691 4.351) 5.892 5.495 ( 1.223 -8.029 -0.205) 8.124 5.533 ( -7.358 -3.418 6.846) 10.615 5.675 ( 4.990 -5.740 0.596) 7.629 5.796 ( -3.027 -4.088 -0.046) 5.087 5.841 ( -0.871 -3.182 -2.003) 3.860 6.043 ( -2.602 -2.151 -0.505) 3.414 6.140 ( 2.988 1.823 -0.358) 3.518 6.186 ( 4.212 3.870 -2.452) 6.223 6.224 ( -5.869 -0.736 3.057) 6.659 6.348 ( -7.126 0.659 9.936) 12.245 6.371 ( 1.001 2.010 -3.762) 4.381 6.492 ( 1.418 -2.712 1.420) 3.374 6.499 ( 0.077 0.904 1.998) 2.194 6.646 ( -1.060 -5.535 5.167) 7.646 6.752 ( -5.546 0.381 -7.254) 9.139 6.863 ( 2.912 0.888 -2.104) 3.700 6.981 ( -3.802 0.288 3.400) 5.108 7.036 ( 2.442 -0.677 -2.606) 3.635 7.142 ( 2.941 -1.392 7.724) 8.381 7.217 ( -1.615 -1.293 -1.726) 2.694 7.385 ( 0.938 0.115 -3.608) 3.729 7.388 ( -1.519 -0.348 -2.173) 2.674 7.547 ( 2.647 2.788 6.307) 7.386 7.680 ( 6.401 -1.363 7.388) 9.869 7.708 ( 1.486 4.490 -0.209) 4.735 7.771 ( -0.916 3.549 -4.878) 6.102 7.942 ( -0.561 -0.587 1.541) 1.742 8.017 ( 2.202 2.525 -6.898) 7.669 8.278 ( 3.441 -0.634 6.352) 7.252 8.535 ( -0.590 -13.689 -10.918) 17.520 8.696 ( 0.865 -5.864 1.693) 6.164 8.773 ( 3.038 -1.389 -3.192) 4.621 9.709 ( 2.256 -3.382 2.784) 4.928 9.805 ( 0.445 4.791 -0.952) 4.905 9.855 ( 5.796 -5.996 1.073) 8.408 9.968 ( 4.048 -2.504 5.442) 7.230 10.105 ( -1.020 2.934 0.614) 3.166 10.182 ( 4.477 -2.114 0.886) 5.030 10.438 ( -5.575 0.031 0.429) 5.592 10.642 ( 2.167 -0.723 1.898) 2.970 10.790 ( 6.864 2.880 -1.509) 7.595 10.895 ( 0.326 -0.332 -4.494) 4.518 11.013 ( -2.448 3.937 3.008) 5.526 11.049 ( -1.723 -0.391 -3.165) 3.625 11.214 ( 0.094 7.378 -0.869) 7.429 11.457 ( -0.291 3.931 -1.115) 4.097 16.781 ( -0.339 0.338 0.006) 0.479 16.876 ( 1.056 3.333 -1.188) 3.692 19.539 ( -1.882 2.479 5.404) 6.237 20.525 ( -5.460 -13.869 3.627) 15.340 21.156 ( -5.530 2.870 3.808) 7.302 21.562 ( -2.935 3.737 -7.127) 8.566 21.668 ( 8.490 1.314 -1.572) 8.734 21.905 ( 5.345 5.654 2.496) 8.171 21.949 ( 6.169 -1.640 -2.419) 6.826 22.232 ( 1.145 -6.934 20.712) 21.872 22.615 ( -1.235 0.396 -0.494) 1.388 22.630 ( -1.989 0.650 -2.265) 3.084 22.875 ( -2.127 -4.975 -3.171) 6.271 23.018 ( -1.703 1.535 -2.012) 3.050 23.272 ( -7.089 1.590 -5.132) 8.895 24.449 ( -1.663 -1.978 -4.224) 4.952 ======================= Grid point 89 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -12.114 10.117 16.586) 22.895 0.804 ( -15.596 15.595 20.641) 30.208 1.335 ( -22.771 17.637 33.004) 43.805 1.512 ( -8.257 11.901 -8.904) 17.002 1.862 ( -1.133 5.028 -19.339) 20.014 2.210 ( -5.188 8.658 0.242) 10.097 2.464 ( -7.815 1.851 -9.466) 12.414 2.721 ( -2.183 -1.136 2.062) 3.211 2.974 ( -2.780 -3.456 2.131) 4.920 3.190 ( 2.464 3.143 4.635) 6.118 3.260 ( 2.789 10.809 2.887) 11.530 3.422 ( 7.457 -1.554 5.955) 9.669 3.481 ( 0.288 -2.400 5.039) 5.589 3.728 ( 3.938 -5.186 3.335) 7.317 3.819 ( -5.010 3.731 0.755) 6.291 3.946 ( -2.123 -2.405 -11.925) 12.349 4.024 ( -2.463 3.185 -1.782) 4.403 4.280 ( 2.533 -6.511 -1.958) 7.255 4.394 ( 7.112 0.734 -1.714) 7.353 4.481 ( 1.706 -4.004 -7.578) 8.739 4.596 ( -2.339 2.280 -10.798) 11.282 4.657 ( 1.155 -1.603 -7.445) 7.703 4.776 ( -4.018 -0.311 2.886) 4.956 4.924 ( -0.877 0.876 -4.747) 4.906 5.024 ( -0.787 0.410 -5.726) 5.795 5.065 ( 1.399 7.503 -7.920) 10.999 5.252 ( 0.420 -2.984 5.467) 6.242 5.384 ( 2.470 4.587 6.667) 8.461 5.478 ( -8.224 -0.058 8.173) 11.595 5.664 ( 0.263 -11.578 1.084) 11.632 5.789 ( -1.784 -3.626 1.076) 4.182 5.825 ( 3.590 -1.107 0.839) 3.850 5.909 ( -2.115 -6.474 -1.164) 6.909 5.988 ( -1.838 -0.628 -4.302) 4.720 6.058 ( -5.737 3.214 -1.365) 6.716 6.166 ( 0.816 7.256 4.090) 8.369 6.244 ( -2.726 -5.406 0.666) 6.091 6.295 ( -2.747 -1.722 4.036) 5.177 6.390 ( 4.043 -0.024 -3.461) 5.322 6.469 ( -1.786 -0.163 1.632) 2.425 6.514 ( 0.601 3.051 2.154) 3.783 6.617 ( -6.986 1.721 -6.179) 9.484 6.777 ( -0.606 3.860 -8.202) 9.085 6.823 ( 0.092 -11.871 3.722) 12.441 7.005 ( 3.808 -1.541 1.679) 4.438 7.084 ( 3.552 2.759 2.693) 5.242 7.130 ( 1.504 3.640 0.168) 3.942 7.278 ( 0.260 -1.885 7.586) 7.821 7.336 ( -3.361 0.845 -8.395) 9.082 7.387 ( -1.616 -3.466 -2.346) 4.486 7.511 ( -4.258 3.154 -3.835) 6.541 7.657 ( -3.695 1.134 -3.208) 5.023 7.698 ( 0.344 1.549 6.040) 6.245 7.871 ( 6.631 -4.168 10.703) 13.262 7.952 ( 4.752 6.804 -2.708) 8.730 8.004 ( 8.063 0.458 3.644) 8.860 8.345 ( -1.314 -3.796 5.107) 6.497 8.535 ( -7.955 -2.491 -16.260) 18.272 8.767 ( 0.278 -1.362 -0.860) 1.635 8.849 ( 0.392 -4.399 -0.916) 4.511 9.755 ( -1.327 -2.634 4.437) 5.328 9.848 ( 9.763 -1.548 5.624) 11.373 9.980 ( 4.789 -0.371 -1.868) 5.154 10.021 ( 3.430 1.559 2.017) 4.274 10.100 ( 1.545 -1.224 -0.958) 2.191 10.256 ( -0.901 -1.806 2.772) 3.428 10.325 ( -8.656 -1.334 3.475) 9.423 10.626 ( 1.990 9.416 -1.170) 9.695 10.778 ( 4.614 8.636 -8.043) 12.671 10.920 ( 1.181 -3.350 -1.734) 3.953 11.000 ( -2.204 0.465 -1.639) 2.786 11.023 ( 2.524 -0.335 2.416) 3.510 11.208 ( 7.054 0.742 4.755) 8.540 11.385 ( -1.688 3.886 -0.651) 4.287 16.772 ( -0.403 0.322 0.051) 0.518 16.827 ( 0.329 4.253 -2.866) 5.139 19.662 ( 18.735 -4.369 23.671) 30.502 20.591 ( -8.387 -8.783 1.727) 12.267 21.074 ( -4.249 1.716 4.989) 6.775 21.446 ( -2.854 2.703 -8.212) 9.105 21.754 ( 4.836 -1.671 6.817) 8.523 21.902 ( 0.306 0.929 0.663) 1.181 22.057 ( 6.915 -1.172 1.955) 7.281 22.514 ( 10.788 -9.728 11.269) 18.385 22.586 ( -0.564 -0.414 -2.707) 2.796 22.605 ( -0.051 0.198 0.636) 0.669 22.865 ( -5.720 -2.869 -6.879) 9.395 22.968 ( -1.750 1.285 1.321) 2.542 23.191 ( -4.724 -5.367 2.467) 7.563 24.305 ( -15.892 6.943 -21.027) 27.256 ======================= Grid point 91 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 14.702 0.000 10.081) 17.826 0.919 ( 17.119 0.000 17.937) 24.796 1.521 ( 5.249 0.000 -21.400) 22.034 1.694 ( 12.700 0.000 32.060) 34.484 1.803 ( 26.591 0.000 -11.221) 28.861 2.352 ( 13.995 0.000 3.114) 14.338 2.593 ( 17.073 0.000 -6.152) 18.147 2.703 ( -12.091 -0.000 -1.185) 12.149 3.180 ( -4.981 -0.000 12.205) 13.182 3.187 ( 15.672 0.000 -12.536) 20.068 3.401 ( -2.459 -0.000 0.471) 2.504 3.411 ( 5.679 0.000 9.499) 11.067 3.527 ( -5.244 -0.000 1.192) 5.378 3.643 ( 6.642 0.000 2.399) 7.062 3.734 ( -0.499 -0.000 6.236) 6.256 3.966 ( -0.865 -0.000 -15.699) 15.722 4.160 ( -7.341 -0.000 3.568) 8.162 4.252 ( -1.683 -0.000 -4.552) 4.853 4.328 ( 10.900 0.000 2.059) 11.093 4.419 ( 0.150 0.000 -5.878) 5.880 4.598 ( 4.635 0.000 -16.507) 17.146 4.635 ( -2.307 -0.000 -6.798) 7.179 4.711 ( -3.065 -0.000 -5.694) 6.466 4.978 ( -1.999 -0.000 -4.330) 4.769 5.050 ( 6.527 0.000 0.875) 6.586 5.259 ( 7.284 0.000 -0.332) 7.291 5.310 ( 1.591 0.000 -5.906) 6.117 5.478 ( -12.742 -0.000 4.549) 13.529 5.493 ( -2.262 -0.000 8.689) 8.979 5.513 ( -1.405 -0.000 4.073) 4.309 5.661 ( 4.121 0.000 -2.562) 4.852 5.818 ( 3.089 0.000 -2.322) 3.865 5.882 ( 1.082 0.000 9.699) 9.759 5.892 ( -2.321 -0.000 6.251) 6.668 6.082 ( -2.485 -0.000 -1.120) 2.726 6.119 ( -0.033 -0.000 -1.661) 1.661 6.207 ( 4.900 0.000 -4.976) 6.984 6.247 ( -5.051 -0.000 -0.556) 5.081 6.261 ( -1.739 -0.000 0.869) 1.944 6.440 ( -4.055 -0.000 -1.465) 4.311 6.637 ( 4.675 0.000 -0.055) 4.675 6.743 ( 3.809 0.000 9.927) 10.633 6.858 ( -2.452 -0.000 0.748) 2.563 6.863 ( -5.606 -0.000 3.262) 6.486 6.956 ( -1.916 -0.000 -3.412) 3.914 6.967 ( 3.914 0.000 0.230) 3.920 7.037 ( -5.751 -0.000 -1.676) 5.990 7.262 ( 0.115 0.000 1.674) 1.678 7.338 ( 1.528 0.000 -5.894) 6.089 7.464 ( 1.934 0.000 1.796) 2.639 7.528 ( 9.246 0.000 2.659) 9.621 7.545 ( 1.649 0.000 0.266) 1.670 7.761 ( -2.758 -0.000 0.464) 2.797 7.787 ( -1.677 -0.000 4.318) 4.632 7.925 ( -5.503 -0.000 -5.945) 8.101 8.204 ( 3.343 0.000 6.489) 7.300 8.392 ( -14.263 -0.000 -2.897) 14.554 8.611 ( -4.524 -0.000 -11.257) 12.132 8.654 ( 3.722 0.000 1.545) 4.030 8.809 ( 6.353 0.000 -1.755) 6.591 9.631 ( -5.490 -0.000 1.797) 5.777 9.780 ( -9.896 -0.000 0.523) 9.910 9.915 ( -4.789 -0.000 -1.216) 4.941 10.079 ( 3.596 0.000 0.639) 3.653 10.257 ( 6.103 0.000 -5.891) 8.483 10.389 ( -6.726 -0.000 3.346) 7.512 10.438 ( -4.427 -0.000 1.418) 4.649 10.636 ( 1.941 0.000 8.904) 9.113 10.649 ( 0.977 0.000 -3.089) 3.239 10.656 ( 0.963 0.000 -7.584) 7.645 10.994 ( -2.213 -0.000 2.599) 3.414 11.117 ( 0.154 0.000 -0.708) 0.725 11.238 ( -5.998 -0.000 -1.509) 6.185 11.326 ( 0.268 0.000 2.773) 2.786 16.759 ( -0.756 -0.000 0.741) 1.059 16.788 ( 1.150 0.000 -0.138) 1.159 20.238 ( -6.357 -0.000 -15.973) 17.191 20.657 ( -16.622 -0.000 16.334) 23.305 21.163 ( 5.866 0.000 6.025) 8.409 21.359 ( -6.730 -0.000 5.935) 8.973 21.527 ( 8.929 0.000 -8.233) 12.145 21.809 ( -11.101 -0.000 0.392) 11.108 22.188 ( -3.697 -0.000 -6.324) 7.325 22.288 ( 0.274 0.000 11.086) 11.089 22.630 ( -0.094 -0.000 -0.687) 0.694 22.684 ( 1.361 0.000 3.286) 3.556 22.845 ( 0.583 0.000 -6.178) 6.205 23.067 ( 3.287 0.000 -1.337) 3.548 23.515 ( 11.653 0.000 -17.067) 20.665 23.847 ( 12.600 0.000 14.660) 19.331 ======================= Grid point 92 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 19.331 6.574 4.584) 20.927 1.309 ( 15.535 -12.750 9.223) 22.113 1.563 ( 15.701 8.073 -2.506) 17.832 1.946 ( 10.375 -5.932 2.446) 12.199 2.193 ( 15.570 -3.166 6.888) 17.317 2.392 ( 0.140 -1.620 2.318) 2.832 2.778 ( 14.931 -2.625 0.380) 15.165 2.900 ( 18.798 -10.167 -3.579) 21.668 3.123 ( -2.341 7.471 10.937) 13.451 3.272 ( 7.707 8.024 -8.122) 13.775 3.351 ( 1.517 1.814 -1.474) 2.787 3.476 ( -0.361 -5.504 -5.837) 8.031 3.551 ( 2.532 3.104 10.755) 11.477 3.712 ( 4.372 0.223 -3.496) 5.602 3.772 ( -1.706 -1.538 2.898) 3.698 3.871 ( -2.762 -1.074 -12.228) 12.582 4.050 ( -2.329 3.992 1.358) 4.817 4.206 ( -0.043 6.236 -8.142) 10.256 4.367 ( 1.505 2.620 -0.304) 3.037 4.514 ( -7.159 1.564 0.801) 7.372 4.546 ( 8.423 -1.033 4.492) 9.602 4.577 ( 5.312 -0.028 -8.332) 9.882 4.716 ( 1.419 -8.506 -13.751) 16.231 4.983 ( -1.817 -6.322 -3.435) 7.421 5.167 ( 5.844 -1.692 1.958) 6.391 5.302 ( -4.399 -1.082 0.781) 4.597 5.333 ( -3.619 0.166 2.920) 4.653 5.359 ( -0.036 -1.114 -0.164) 1.127 5.440 ( 3.052 0.405 -8.816) 9.338 5.555 ( 2.904 3.093 7.693) 8.785 5.665 ( -4.131 2.916 1.813) 5.372 5.785 ( -0.993 8.500 2.475) 8.908 5.864 ( 1.902 -2.550 3.541) 4.760 5.956 ( -4.271 5.043 2.102) 6.935 6.007 ( 3.020 0.428 4.578) 5.502 6.129 ( -0.178 -1.495 -1.690) 2.263 6.185 ( 2.791 3.426 -3.388) 5.567 6.235 ( -4.151 -5.159 2.669) 7.139 6.292 ( 6.015 1.522 0.530) 6.227 6.422 ( -5.471 -5.273 -1.192) 7.691 6.622 ( -2.328 4.396 3.539) 6.105 6.735 ( -2.139 3.490 1.924) 4.523 6.799 ( -2.481 1.891 3.185) 4.458 6.867 ( -5.331 -0.021 1.288) 5.485 6.891 ( -0.339 0.626 5.797) 5.840 7.008 ( 1.014 -6.305 0.398) 6.399 7.106 ( 2.727 -5.927 -2.100) 6.854 7.256 ( 2.455 3.012 -0.413) 3.908 7.326 ( -3.337 -3.760 -4.766) 6.927 7.501 ( 0.574 -1.131 2.421) 2.733 7.579 ( 2.414 0.069 0.115) 2.417 7.637 ( 2.694 3.518 -0.104) 4.432 7.667 ( 0.925 3.862 4.107) 5.713 7.830 ( -0.228 -2.195 -2.594) 3.406 7.858 ( -5.119 -5.707 -5.753) 9.585 8.205 ( -8.568 0.403 -5.341) 10.104 8.266 ( 1.689 1.171 7.787) 8.054 8.459 ( -8.073 3.175 -7.011) 11.154 8.648 ( -3.341 1.676 -3.506) 5.125 8.831 ( 0.575 3.852 -2.276) 4.511 9.597 ( -3.182 -2.442 1.134) 4.168 9.663 ( -5.797 2.329 3.728) 7.275 9.835 ( -4.169 1.660 0.172) 4.490 10.095 ( -2.197 3.603 1.464) 4.467 10.212 ( -1.668 3.714 0.452) 4.097 10.243 ( -3.742 4.493 -1.411) 6.015 10.479 ( 0.370 -4.428 1.114) 4.581 10.545 ( -1.389 5.223 -2.489) 5.950 10.754 ( 2.988 -4.173 1.291) 5.292 10.769 ( 5.174 -3.876 1.942) 6.750 10.996 ( 0.692 -3.618 2.103) 4.241 11.120 ( -1.452 -2.780 -3.747) 4.886 11.179 ( -6.606 -4.976 -3.005) 8.800 11.345 ( -1.407 -2.829 1.160) 3.366 16.757 ( -0.104 -0.448 0.563) 0.727 16.821 ( 2.289 -0.991 0.752) 2.605 20.068 ( -4.889 3.533 -16.256) 17.339 20.446 ( -15.670 5.714 17.902) 24.468 21.277 ( 5.367 -1.313 5.860) 8.054 21.376 ( 4.936 -1.232 -0.759) 5.143 21.591 ( 4.921 2.319 -6.567) 8.527 21.685 ( -6.688 -2.359 1.329) 7.215 22.095 ( 3.296 8.556 -3.914) 9.970 22.316 ( -2.005 1.045 12.381) 12.586 22.638 ( 1.087 -0.509 -0.623) 1.352 22.702 ( -0.053 0.267 2.806) 2.819 22.827 ( 0.162 0.357 -5.634) 5.648 23.103 ( 2.505 -0.700 -1.281) 2.899 23.616 ( 5.167 -4.191 -19.343) 20.455 24.034 ( 4.895 -2.807 14.922) 15.953 ======================= Grid point 93 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 15.688 20.202 2.503) 25.700 1.652 ( 19.070 2.453 -1.571) 19.291 1.742 ( 15.842 -2.327 13.155) 20.723 2.144 ( 9.800 -4.367 -8.107) 13.447 2.277 ( -4.838 -5.909 16.823) 18.475 2.545 ( 13.373 2.100 -10.076) 16.875 2.902 ( 1.384 9.777 1.977) 10.071 3.061 ( 9.481 3.638 3.949) 10.896 3.245 ( 6.416 -3.217 -4.609) 8.530 3.298 ( 3.530 -1.071 -4.692) 5.968 3.363 ( 7.228 -3.885 4.187) 9.212 3.505 ( 6.167 0.567 -0.293) 6.200 3.528 ( -0.383 5.243 -3.523) 6.328 3.654 ( -4.679 1.428 -2.153) 5.345 3.759 ( 0.828 3.229 -1.978) 3.876 3.871 ( -0.995 0.579 1.789) 2.128 4.008 ( 2.541 4.793 2.287) 5.887 4.112 ( 5.488 3.272 -2.568) 6.886 4.357 ( -1.777 1.268 -5.470) 5.890 4.429 ( 2.452 -2.736 -0.351) 3.691 4.635 ( 0.431 -3.480 -0.705) 3.577 4.750 ( 7.066 -2.594 2.718) 8.003 4.816 ( 2.448 -8.954 -7.021) 11.639 5.013 ( -5.524 -4.753 0.029) 7.287 5.168 ( -3.294 7.845 0.988) 8.565 5.239 ( -1.601 2.991 -2.927) 4.481 5.285 ( -3.724 -0.779 1.876) 4.242 5.377 ( 3.939 3.312 -4.033) 6.538 5.490 ( 5.357 -1.631 -8.931) 10.542 5.553 ( -5.355 1.923 5.879) 8.181 5.599 ( 3.550 -0.806 0.974) 3.768 5.753 ( 5.029 -3.652 -2.321) 6.635 5.807 ( -3.295 3.457 -0.567) 4.809 5.990 ( -0.736 -5.942 4.012) 7.207 6.024 ( 0.986 0.123 0.229) 1.020 6.135 ( -0.784 -1.527 1.272) 2.137 6.195 ( 2.851 5.878 5.811) 8.744 6.290 ( 0.370 -1.591 3.282) 3.666 6.320 ( -1.275 -2.799 -0.812) 3.181 6.383 ( -3.286 0.423 -0.808) 3.410 6.567 ( 2.018 4.817 5.693) 7.725 6.680 ( -3.089 1.405 2.703) 4.339 6.713 ( -6.964 -1.349 0.868) 7.146 6.832 ( -2.818 -0.493 4.659) 5.467 6.912 ( 2.769 4.615 6.704) 8.597 7.112 ( 1.616 -5.571 1.875) 6.096 7.173 ( -2.742 -4.965 -3.243) 6.533 7.227 ( -1.533 1.572 -2.557) 3.370 7.353 ( 0.143 -5.186 0.761) 5.243 7.497 ( -3.513 -1.243 -0.644) 3.781 7.545 ( -6.812 0.612 -0.794) 6.885 7.595 ( 0.231 1.552 -1.796) 2.385 7.700 ( 4.657 3.879 2.954) 6.742 7.784 ( -1.472 -0.344 -7.040) 7.201 7.911 ( 2.483 -3.295 -3.978) 5.731 8.099 ( -2.438 0.710 -8.571) 8.939 8.233 ( -5.337 4.886 4.014) 8.275 8.355 ( -2.506 -1.384 1.652) 3.305 8.523 ( -7.443 1.062 -3.408) 8.255 8.728 ( -3.087 6.768 -0.104) 7.440 9.548 ( -3.884 1.647 2.354) 4.832 9.634 ( -0.712 0.725 2.649) 2.837 9.785 ( -1.202 0.299 1.780) 2.169 9.992 ( -4.412 1.849 -0.047) 4.784 10.097 ( -4.382 5.604 -2.544) 7.555 10.235 ( 3.380 0.731 3.174) 4.694 10.452 ( -0.521 3.570 3.502) 5.028 10.551 ( -3.505 -6.663 -3.569) 8.332 10.812 ( 2.566 -0.426 0.186) 2.607 10.859 ( 4.251 1.499 -0.423) 4.527 11.085 ( 1.735 -1.186 -1.547) 2.609 11.151 ( -3.895 -4.911 -0.363) 6.279 11.171 ( -1.494 -11.612 -2.920) 12.067 11.373 ( -3.142 -5.716 0.373) 6.534 16.770 ( 0.299 -0.860 0.316) 0.963 16.872 ( 2.625 -0.823 1.359) 3.068 19.921 ( -4.757 0.763 -13.310) 14.155 20.244 ( -10.576 6.386 13.385) 18.215 21.367 ( 2.698 -1.350 4.155) 5.135 21.463 ( 5.134 0.983 -0.840) 5.294 21.573 ( 3.686 0.884 -1.762) 4.180 21.723 ( 5.474 -1.713 -3.054) 6.498 22.031 ( 4.364 8.329 -2.210) 9.659 22.299 ( -4.506 2.154 14.234) 15.085 22.665 ( 1.720 -0.669 -0.086) 1.847 22.699 ( -0.718 0.559 1.843) 2.055 22.800 ( -0.117 0.575 -5.479) 5.511 23.140 ( 2.082 -0.710 -2.050) 3.007 23.616 ( 1.414 -0.361 -16.940) 17.003 24.160 ( -1.324 -5.334 11.854) 13.066 ======================= Grid point 94 (38/95) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 13.583 30.999 2.049) 33.907 1.849 ( 22.593 11.034 6.982) 26.094 1.965 ( 5.978 -0.961 -1.312) 6.196 2.237 ( 7.950 3.343 -11.267) 14.189 2.391 ( 1.931 -5.138 13.388) 14.469 2.623 ( 8.505 2.287 -5.625) 10.450 2.786 ( -0.716 6.570 5.160) 8.385 3.158 ( -3.030 8.257 -0.491) 8.809 3.187 ( 13.618 5.280 -2.021) 14.745 3.300 ( -1.149 0.984 -4.291) 4.550 3.374 ( 1.396 -0.993 -7.439) 7.634 3.500 ( -2.031 3.802 -0.341) 4.324 3.641 ( 0.851 6.980 6.637) 9.669 3.655 ( 0.475 0.647 0.493) 0.942 3.726 ( 11.803 -3.930 1.486) 12.528 3.887 ( 3.452 0.428 -3.388) 4.855 4.045 ( 4.356 -2.352 4.943) 6.996 4.167 ( 1.406 -2.269 2.584) 3.715 4.386 ( 4.697 0.633 -2.325) 5.279 4.491 ( 1.867 -2.761 -0.703) 3.406 4.613 ( -2.782 3.090 1.991) 4.610 4.795 ( -3.180 6.230 -0.460) 7.009 4.846 ( -3.213 1.360 0.216) 3.496 4.980 ( 0.274 -3.812 -4.374) 5.808 5.093 ( -5.836 2.838 -3.770) 7.505 5.101 ( 0.516 -1.067 2.109) 2.419 5.264 ( -2.220 0.168 -4.123) 4.686 5.356 ( -0.980 1.633 -0.210) 1.916 5.460 ( -8.257 2.314 0.948) 8.627 5.569 ( 0.283 -5.115 -0.454) 5.143 5.705 ( 6.355 -3.872 -4.842) 8.878 5.742 ( -0.883 -1.040 -2.719) 3.042 5.924 ( 5.485 -7.305 -4.425) 10.150 6.021 ( -1.297 0.016 -2.488) 2.806 6.079 ( -2.916 9.844 4.316) 11.137 6.094 ( 1.092 -5.115 0.513) 5.256 6.173 ( -0.435 -2.992 3.737) 4.807 6.263 ( -2.008 0.039 -1.582) 2.556 6.317 ( -0.461 0.039 4.982) 5.004 6.404 ( 0.078 -1.547 2.643) 3.064 6.597 ( 5.375 2.386 8.988) 10.741 6.650 ( -2.211 -2.201 1.618) 3.514 6.684 ( -2.138 -1.495 1.786) 3.161 6.812 ( 0.425 2.797 2.888) 4.043 6.898 ( -1.028 2.548 7.469) 7.959 7.123 ( -6.607 -0.571 -2.360) 7.039 7.179 ( -3.861 -1.129 -4.143) 5.775 7.203 ( -0.476 -4.710 -0.560) 4.767 7.374 ( -7.323 4.686 -3.108) 9.233 7.447 ( -1.636 -7.458 0.708) 7.668 7.493 ( -0.964 -2.885 -2.378) 3.861 7.563 ( 0.937 2.155 1.316) 2.693 7.693 ( 0.170 5.040 2.007) 5.427 7.765 ( 0.744 -2.227 -6.660) 7.062 7.969 ( 3.784 -0.869 -8.344) 9.203 8.062 ( -0.363 -0.616 -0.066) 0.718 8.133 ( -0.038 3.370 2.440) 4.161 8.312 ( -7.455 -3.254 -6.798) 10.601 8.478 ( -1.509 -0.767 6.947) 7.150 8.637 ( 0.265 3.129 3.534) 4.727 9.510 ( -1.771 -0.827 1.698) 2.589 9.606 ( -0.122 1.994 -0.020) 1.998 9.791 ( 0.884 0.636 1.926) 2.213 9.939 ( 0.546 3.109 0.277) 3.169 10.001 ( -2.802 -1.018 -2.616) 3.966 10.289 ( 2.768 0.112 4.582) 5.354 10.431 ( 0.411 2.304 4.371) 4.958 10.555 ( -5.519 -6.233 -5.537) 9.999 10.826 ( -0.183 1.554 -3.339) 3.687 10.870 ( 3.841 2.584 0.414) 4.648 11.089 ( -0.699 -0.866 -2.462) 2.702 11.153 ( -6.269 -6.460 0.849) 9.042 11.318 ( 2.819 -6.724 -0.760) 7.331 11.406 ( -3.739 -6.294 -0.167) 7.322 16.785 ( 0.187 -0.686 0.201) 0.739 16.916 ( 2.339 0.044 1.090) 2.581 19.812 ( -6.295 -0.856 -7.680) 9.967 20.112 ( -6.191 2.080 7.878) 10.234 21.419 ( 1.739 1.239 0.846) 2.297 21.475 ( 4.697 2.743 1.245) 5.580 21.674 ( 9.576 -0.955 -3.037) 10.091 21.815 ( 6.320 -0.464 -2.619) 6.857 21.971 ( 3.882 8.231 -1.168) 9.175 22.250 ( -6.023 2.483 16.141) 17.406 22.684 ( -0.768 0.864 1.171) 1.646 22.695 ( 1.473 -0.096 0.168) 1.485 22.774 ( -0.533 -0.291 -4.861) 4.899 23.152 ( 1.584 1.133 -3.906) 4.365 23.560 ( -1.138 0.701 -12.483) 12.555 24.228 ( -4.946 -6.540 8.125) 11.544 ======================= Grid point 95 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 18.307 29.982 4.433) 35.408 1.854 ( -3.460 13.697 -1.266) 14.184 2.019 ( 10.354 6.046 2.303) 12.209 2.256 ( 17.117 11.030 -9.724) 22.566 2.525 ( 4.751 0.081 6.161) 7.780 2.668 ( 7.061 9.382 -2.963) 12.110 2.731 ( -1.212 -1.843 5.557) 5.979 3.102 ( 1.254 3.386 7.826) 8.619 3.193 ( 3.571 9.231 -4.234) 10.765 3.255 ( 4.273 1.234 -5.872) 7.366 3.397 ( -1.607 2.423 -0.090) 2.909 3.456 ( 3.852 -0.817 -2.678) 4.763 3.596 ( 0.084 10.107 2.236) 10.351 3.686 ( 3.957 -2.177 4.124) 6.116 3.836 ( 4.406 4.083 2.175) 6.389 3.885 ( -0.269 1.244 -2.062) 2.423 4.090 ( -2.959 -0.136 -2.509) 3.882 4.230 ( -0.992 3.651 3.536) 5.179 4.403 ( 1.885 -0.304 0.420) 1.955 4.496 ( 0.230 1.048 3.013) 3.198 4.554 ( 0.786 3.531 -1.228) 3.820 4.679 ( -1.021 -1.054 -3.565) 3.855 4.818 ( -0.586 1.782 0.921) 2.089 4.968 ( -6.053 1.178 0.279) 6.173 5.024 ( -0.418 -4.377 -4.942) 6.615 5.099 ( -4.983 3.217 4.834) 7.652 5.229 ( 2.729 -2.680 -4.557) 5.950 5.300 ( -6.389 0.224 -2.713) 6.945 5.374 ( -2.515 -2.929 0.609) 3.908 5.612 ( -4.864 -3.653 4.121) 7.348 5.714 ( -2.739 2.892 -4.071) 5.695 5.775 ( -0.844 -1.214 -3.847) 4.121 5.874 ( -2.148 3.495 -5.136) 6.573 5.962 ( -3.506 0.433 1.935) 4.028 6.062 ( 4.643 -4.522 -6.453) 9.146 6.155 ( -5.259 -0.665 2.385) 5.813 6.182 ( -4.271 -1.458 -0.927) 4.607 6.294 ( 2.904 -3.855 -0.554) 4.858 6.377 ( 3.370 -0.922 0.553) 3.537 6.421 ( -0.702 -2.506 7.564) 8.000 6.629 ( -2.953 1.618 6.691) 7.491 6.699 ( 2.064 0.019 -6.067) 6.408 6.718 ( 3.829 -3.579 7.826) 9.419 6.799 ( -0.313 2.665 8.613) 9.021 6.918 ( 0.765 -2.622 8.742) 9.159 6.967 ( -7.195 1.806 -10.864) 13.155 7.140 ( -3.962 -2.607 -6.524) 8.066 7.206 ( -5.088 3.086 -4.789) 7.639 7.243 ( -4.797 -6.383 2.930) 8.505 7.494 ( 3.604 1.263 -2.995) 4.853 7.546 ( -0.055 -3.521 5.245) 6.318 7.627 ( 2.585 2.560 3.274) 4.894 7.641 ( 5.197 -0.803 1.577) 5.490 7.785 ( -0.145 -2.678 -4.950) 5.630 7.953 ( -0.762 -0.520 -4.286) 4.385 8.086 ( 1.108 0.031 -2.941) 3.143 8.192 ( 3.928 -0.002 3.787) 5.457 8.241 ( -1.143 -3.996 -3.469) 5.414 8.493 ( -1.881 -2.513 0.919) 3.271 8.671 ( 2.183 -1.382 4.398) 5.101 9.541 ( 0.815 -4.098 1.745) 4.528 9.605 ( 2.255 -0.258 -1.026) 2.491 9.811 ( 2.612 0.182 2.514) 3.630 9.918 ( 1.949 2.775 -0.687) 3.460 10.026 ( 2.521 -3.158 0.169) 4.044 10.311 ( 1.085 3.565 2.484) 4.479 10.442 ( 1.084 -0.221 3.902) 4.055 10.528 ( -6.773 -5.659 -4.349) 9.839 10.782 ( -0.829 1.568 -1.272) 2.183 10.888 ( 2.025 1.164 -1.002) 2.542 11.081 ( -0.142 -0.530 -2.371) 2.433 11.142 ( -6.036 -3.415 1.967) 7.208 11.387 ( 0.422 -1.930 -3.824) 4.304 11.429 ( -4.427 -5.186 0.877) 6.875 16.792 ( -0.072 -0.165 0.226) 0.289 16.940 ( 1.957 1.041 0.231) 2.229 19.709 ( -6.160 1.137 -1.594) 6.464 20.085 ( -4.891 -6.304 2.676) 8.415 21.372 ( -0.917 5.470 1.200) 5.675 21.570 ( 10.849 0.628 -1.879) 11.028 21.797 ( 3.224 -2.689 -2.225) 4.751 21.830 ( 7.740 7.658 -7.039) 12.965 21.947 ( 2.130 3.371 4.416) 5.950 22.218 ( -0.816 3.202 17.565) 17.873 22.663 ( -1.175 0.653 0.360) 1.392 22.698 ( -0.063 1.254 -0.889) 1.539 22.763 ( -0.283 -1.239 -3.351) 3.584 23.124 ( 0.318 2.656 -4.302) 5.065 23.476 ( -3.451 1.776 -8.204) 9.076 24.265 ( -6.672 -8.104 4.006) 11.236 ======================= Grid point 96 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 18.392 19.499 8.850) 28.227 1.549 ( -9.471 18.092 4.784) 20.974 2.050 ( 8.461 6.093 -7.601) 12.903 2.278 ( 11.388 14.598 -7.146) 19.846 2.445 ( 2.520 17.348 2.648) 17.729 2.656 ( 8.275 10.766 2.937) 13.892 2.843 ( 0.637 -7.424 8.551) 11.342 2.977 ( -8.309 12.061 -1.812) 14.758 3.110 ( -2.658 15.034 5.619) 16.268 3.250 ( 6.623 2.470 -7.504) 10.309 3.381 ( -6.371 9.022 6.804) 12.973 3.399 ( -0.126 -0.287 1.577) 1.608 3.509 ( 1.485 -1.359 -4.978) 5.369 3.738 ( -0.648 1.269 1.539) 2.097 3.825 ( 0.816 1.684 1.795) 2.594 3.879 ( 4.286 0.897 -1.282) 4.562 4.024 ( -1.291 4.404 -0.017) 4.590 4.117 ( -2.280 3.935 2.272) 5.084 4.366 ( 0.548 1.522 -3.917) 4.238 4.429 ( 0.095 4.183 -6.308) 7.569 4.636 ( 0.809 -2.742 7.005) 7.566 4.765 ( 1.029 4.818 -6.382) 8.063 4.797 ( 4.507 -6.304 -3.251) 8.404 4.907 ( -3.489 -3.604 1.063) 5.128 5.042 ( -3.499 -6.321 3.911) 8.215 5.078 ( -2.420 -2.199 -1.973) 3.819 5.234 ( -2.923 -4.189 -4.619) 6.886 5.284 ( 3.162 0.518 -1.360) 3.481 5.381 ( -1.076 -2.416 -2.350) 3.538 5.511 ( -6.230 3.236 0.204) 7.024 5.657 ( 0.153 0.227 -1.222) 1.252 5.716 ( -3.764 0.216 -1.866) 4.207 5.875 ( -1.166 1.090 -0.784) 1.778 5.950 ( -3.801 -6.245 1.196) 7.408 6.052 ( -2.563 -1.487 -0.173) 2.968 6.161 ( -3.220 -5.058 2.155) 6.372 6.192 ( 0.321 -5.518 -2.184) 5.944 6.287 ( -3.056 0.669 -1.843) 3.631 6.404 ( 0.461 3.062 2.343) 3.883 6.473 ( -3.145 -1.876 5.653) 6.736 6.546 ( -3.171 4.563 -3.689) 6.669 6.671 ( 0.403 0.618 -3.050) 3.138 6.749 ( -3.778 1.723 3.665) 5.538 6.841 ( -3.279 -3.480 -3.125) 5.712 6.928 ( 3.862 -6.536 7.313) 10.541 7.003 ( -0.446 0.395 4.531) 4.570 7.113 ( 0.072 -2.739 -3.091) 4.131 7.136 ( -1.416 0.215 0.419) 1.492 7.272 ( -2.907 -5.214 1.684) 6.203 7.529 ( 6.471 3.758 -1.995) 7.744 7.570 ( -0.800 -1.498 2.728) 3.213 7.651 ( 5.039 1.716 2.389) 5.834 7.774 ( 3.221 -1.404 2.018) 4.052 7.787 ( 0.152 -2.646 -2.394) 3.572 7.948 ( -1.245 -0.271 -3.522) 3.746 8.056 ( 1.382 0.942 -2.709) 3.183 8.215 ( 0.765 -2.082 -1.188) 2.516 8.366 ( 5.958 -2.038 3.979) 7.448 8.524 ( -0.776 -6.810 -0.464) 6.870 8.725 ( 1.248 -2.222 -1.496) 2.955 9.634 ( 2.780 -3.374 2.318) 4.949 9.676 ( 3.291 -6.086 0.542) 6.940 9.879 ( 2.224 -0.225 2.366) 3.255 9.910 ( 4.418 1.652 0.923) 4.807 10.137 ( 7.093 -2.128 0.797) 7.448 10.257 ( -0.369 5.313 1.439) 5.516 10.434 ( -5.501 -1.190 -2.694) 6.240 10.543 ( -0.108 -5.416 3.869) 6.657 10.765 ( -0.473 -0.859 1.088) 1.465 10.887 ( 0.689 0.155 -4.055) 4.116 11.075 ( -6.353 -2.004 1.045) 6.743 11.104 ( 4.185 3.330 -1.871) 5.666 11.360 ( -1.478 2.477 -4.466) 5.316 11.418 ( -6.937 -4.749 0.594) 8.427 16.791 ( -0.035 0.275 0.283) 0.396 16.943 ( 1.504 1.864 -1.312) 2.730 19.614 ( -3.886 2.540 2.737) 5.390 20.147 ( -5.761 -12.717 0.461) 13.969 21.279 ( -2.189 6.359 2.702) 7.247 21.685 ( 4.343 4.375 -5.997) 8.600 21.733 ( 6.190 3.787 -4.429) 8.502 21.906 ( -5.007 0.469 5.601) 7.528 21.927 ( 7.188 0.345 -1.443) 7.339 22.309 ( 12.242 4.859 17.554) 21.946 22.637 ( -1.784 0.313 -0.749) 1.960 22.656 ( -2.096 1.815 -2.483) 3.722 22.769 ( 0.273 -1.513 -2.653) 3.066 23.070 ( -1.499 2.494 -1.554) 3.299 23.359 ( -4.972 3.698 -4.759) 7.813 24.288 ( -7.559 -9.290 -1.720) 12.100 ======================= Grid point 97 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 9.952 11.529 13.990) 20.680 1.208 ( -8.297 20.031 12.543) 25.048 1.978 ( -1.082 15.586 -5.595) 16.595 2.085 ( 6.012 17.755 -18.502) 26.339 2.288 ( -9.259 36.068 9.105) 38.334 2.406 ( 5.611 10.166 1.883) 11.763 2.664 ( -4.601 16.217 1.873) 16.960 2.876 ( -2.195 7.698 5.921) 9.957 2.956 ( -4.854 1.990 8.491) 9.981 3.247 ( -6.467 3.262 0.151) 7.244 3.337 ( 8.355 -1.168 -7.147) 11.057 3.408 ( 0.369 -3.054 -0.786) 3.175 3.502 ( 2.681 0.955 4.251) 5.116 3.689 ( -1.905 3.739 3.788) 5.653 3.812 ( -0.444 -4.455 -7.596) 8.818 3.921 ( -5.282 3.844 3.205) 7.277 4.028 ( 10.730 -3.779 -1.782) 11.515 4.144 ( 1.100 0.388 4.824) 4.963 4.363 ( 2.648 -1.742 -7.058) 7.737 4.455 ( 4.997 0.595 -4.399) 6.684 4.552 ( -6.607 -1.315 -4.126) 7.900 4.700 ( 1.909 4.425 -10.276) 11.350 4.823 ( -4.777 1.081 0.893) 4.979 4.945 ( 0.955 -1.119 -0.491) 1.551 5.014 ( -3.687 -0.491 -2.998) 4.778 5.141 ( -0.354 -6.779 1.542) 6.961 5.268 ( 1.252 1.909 -2.309) 3.247 5.313 ( 0.880 -4.389 3.912) 5.944 5.439 ( -0.813 -2.204 0.847) 2.497 5.472 ( 5.223 -5.867 -4.007) 8.818 5.667 ( -0.975 -2.055 0.254) 2.289 5.719 ( 1.522 -5.074 -1.825) 5.603 5.809 ( -1.902 1.639 1.496) 2.922 5.975 ( -2.614 -1.946 1.431) 3.559 6.110 ( -1.870 -6.143 1.184) 6.530 6.150 ( -5.119 -0.450 -1.248) 5.288 6.228 ( -4.477 -0.361 0.937) 4.588 6.266 ( -6.424 -6.422 5.532) 10.635 6.343 ( 2.519 1.486 -6.853) 7.451 6.445 ( 0.157 -1.472 -1.109) 1.850 6.475 ( -4.278 -0.538 -1.500) 4.565 6.661 ( -2.108 0.529 0.513) 2.233 6.687 ( 1.462 4.331 3.577) 5.804 6.830 ( -2.873 -1.514 -2.307) 3.984 7.001 ( 0.977 -0.657 1.841) 2.185 7.043 ( -1.380 -3.899 2.151) 4.661 7.126 ( 0.364 -1.572 0.673) 1.748 7.198 ( 3.181 -2.904 6.483) 7.783 7.298 ( -1.980 -1.906 1.215) 3.005 7.515 ( 2.691 6.330 -1.627) 7.068 7.595 ( -0.667 2.121 0.312) 2.246 7.694 ( 0.264 -2.505 -6.050) 6.553 7.763 ( 0.238 0.361 1.279) 1.350 7.806 ( 0.358 2.968 0.217) 2.997 7.944 ( 0.689 -1.761 4.144) 4.555 8.094 ( 4.567 0.656 -0.345) 4.627 8.244 ( -0.708 -1.617 4.327) 4.673 8.481 ( 6.521 -2.568 -3.837) 7.990 8.629 ( 0.577 -7.849 1.830) 8.080 8.762 ( 1.000 -2.875 -3.478) 4.623 9.709 ( 1.353 -1.858 3.587) 4.260 9.807 ( 0.748 -5.309 -0.942) 5.443 9.879 ( 2.599 -1.430 3.405) 4.516 10.021 ( 6.818 -0.715 1.787) 7.084 10.163 ( 0.427 5.156 0.032) 5.173 10.263 ( 2.894 0.598 5.522) 6.263 10.341 ( -6.921 -0.181 -1.311) 7.046 10.651 ( 2.864 -5.732 -1.626) 6.611 10.810 ( 1.598 -3.119 0.792) 3.593 10.875 ( -0.935 -0.364 -2.939) 3.105 11.003 ( -1.259 1.419 1.039) 2.163 11.120 ( 3.428 4.008 -6.634) 8.475 11.291 ( 2.411 3.791 -0.600) 4.532 11.370 ( -9.294 -4.420 0.743) 10.319 16.787 ( 0.144 0.581 0.290) 0.665 16.920 ( 0.529 2.600 -3.977) 4.780 19.598 ( 2.718 -0.190 10.847) 11.184 20.244 ( -6.777 -14.901 -1.130) 16.409 21.179 ( -1.964 6.207 4.235) 7.766 21.566 ( -2.017 6.284 -7.351) 9.879 21.752 ( -6.064 1.801 8.392) 10.509 21.886 ( 3.969 0.384 -2.678) 4.804 22.021 ( 6.667 -0.474 0.320) 6.692 22.520 ( 14.541 4.079 13.839) 20.485 22.566 ( -5.156 -1.214 -6.867) 8.673 22.621 ( 0.185 1.247 1.147) 1.704 22.796 ( 3.671 -0.438 -1.423) 3.961 23.015 ( -2.484 2.089 2.793) 4.281 23.228 ( -3.622 4.593 -0.605) 5.881 24.268 ( -9.424 -7.571 -11.249) 16.513 ======================= Grid point 98 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -6.166 14.673 17.857) 23.921 0.954 ( -1.647 15.148 20.910) 25.872 1.633 ( -3.033 32.482 11.055) 34.445 1.727 ( 1.403 26.107 3.036) 26.320 1.870 ( -0.827 11.474 -19.889) 22.976 2.362 ( -0.792 18.824 1.840) 18.931 2.492 ( 10.633 5.823 -10.465) 16.014 2.762 ( 3.078 5.946 -1.075) 6.781 2.920 ( -2.658 -2.310 9.663) 10.284 3.159 ( -5.031 -1.326 5.624) 7.662 3.407 ( 0.171 3.765 7.376) 8.283 3.462 ( -0.662 -4.492 -0.936) 4.636 3.617 ( 13.007 3.724 7.713) 15.574 3.634 ( -9.082 -4.883 -0.359) 10.318 3.800 ( -5.010 4.024 -0.061) 6.426 3.871 ( 3.817 -5.262 -9.099) 11.182 4.010 ( -3.594 6.878 -5.426) 9.469 4.239 ( 2.032 -9.479 -0.718) 9.720 4.371 ( -0.984 -2.051 -4.388) 4.942 4.487 ( 4.397 -2.993 -9.774) 11.127 4.583 ( -6.244 -1.070 -10.921) 12.625 4.618 ( 6.997 2.462 -3.973) 8.415 4.745 ( -2.924 0.826 3.054) 4.308 4.956 ( 3.235 3.006 -0.786) 4.485 5.035 ( 5.736 -1.006 -2.887) 6.500 5.141 ( 3.118 4.870 -9.630) 11.232 5.258 ( -0.842 -2.493 7.346) 7.803 5.435 ( -0.722 -0.700 2.852) 3.025 5.461 ( 1.378 -6.444 4.593) 8.032 5.578 ( 3.152 1.382 4.551) 5.706 5.708 ( -1.152 -6.113 -3.403) 7.091 5.771 ( -3.784 -5.053 1.121) 6.412 5.883 ( 3.058 -4.372 -1.341) 5.501 5.933 ( -4.719 3.996 -6.158) 8.727 5.983 ( -4.879 -1.991 3.969) 6.597 6.135 ( -5.468 -1.296 0.121) 5.621 6.186 ( -2.381 -0.400 -4.748) 5.327 6.248 ( -2.904 -2.068 3.420) 4.940 6.410 ( -0.765 -2.167 1.390) 2.686 6.416 ( 1.669 -1.602 -0.719) 2.422 6.535 ( -1.253 -5.246 0.981) 5.482 6.602 ( 0.274 2.245 1.365) 2.642 6.721 ( 1.642 -3.701 1.626) 4.363 6.827 ( 6.419 2.519 -5.394) 8.754 7.021 ( -6.960 -2.615 2.824) 7.953 7.060 ( 1.105 -2.950 4.504) 5.496 7.193 ( 4.406 -0.393 3.978) 5.950 7.257 ( -5.177 1.940 3.952) 6.796 7.272 ( 1.131 -1.347 -3.196) 3.648 7.435 ( -1.674 4.844 -0.722) 5.175 7.486 ( 0.807 7.208 -8.212) 10.956 7.665 ( -1.999 3.050 -3.319) 4.931 7.733 ( -1.436 2.289 6.117) 6.687 7.882 ( 1.733 -7.228 4.403) 8.639 7.964 ( -1.067 2.199 1.796) 3.033 8.162 ( 1.062 -2.299 2.189) 3.347 8.297 ( 7.255 -0.072 6.642) 9.837 8.549 ( 4.265 -0.793 -7.607) 8.757 8.714 ( -2.456 -3.675 -0.848) 4.501 8.793 ( -0.725 -2.753 -2.329) 3.678 9.719 ( -2.508 -0.319 3.608) 4.405 9.875 ( 1.417 -4.992 -0.107) 5.191 10.005 ( 3.005 -5.737 5.125) 8.259 10.063 ( -0.407 0.816 -1.442) 1.706 10.125 ( -2.281 2.224 1.389) 3.475 10.217 ( -3.546 -1.516 4.366) 5.825 10.338 ( 5.951 3.869 1.533) 7.262 10.711 ( -0.187 -4.200 -8.214) 9.227 10.754 ( -3.830 5.893 -0.330) 7.036 10.928 ( 1.328 -3.569 0.803) 3.892 11.007 ( -0.908 5.943 -8.376) 10.310 11.070 ( 4.156 -1.343 0.107) 4.369 11.299 ( -8.057 -3.208 2.083) 8.919 11.354 ( 8.902 2.346 0.501) 9.220 16.780 ( -0.120 0.891 0.294) 0.946 16.860 ( -0.933 3.218 -5.002) 6.021 19.886 ( 18.177 -17.226 20.919) 32.631 20.329 ( -5.976 -12.906 -4.259) 14.846 21.112 ( 0.453 4.881 5.350) 7.256 21.445 ( -0.679 4.456 -7.582) 8.821 21.658 ( -13.897 -3.385 12.086) 18.726 21.899 ( 2.848 3.851 -0.228) 4.795 22.133 ( 5.715 -1.935 4.733) 7.669 22.407 ( -13.832 -1.444 -6.511) 15.356 22.618 ( 0.895 0.052 1.587) 1.822 22.663 ( -0.032 -0.507 1.657) 1.733 22.913 ( 12.069 2.467 2.435) 12.556 22.961 ( -3.532 1.817 1.708) 4.324 23.229 ( 12.744 2.407 11.126) 17.088 24.085 ( -13.269 4.720 -24.469) 28.232 ======================= Grid point 101 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 19.446 0.000 -4.674) 20.000 1.537 ( 23.988 0.000 8.717) 25.523 1.902 ( 20.182 0.000 5.496) 20.917 2.060 ( 7.174 0.000 16.131) 17.655 2.364 ( 5.385 0.000 3.698) 6.532 2.528 ( 21.165 0.000 -5.978) 21.993 2.952 ( 8.103 0.000 -3.655) 8.889 3.015 ( 13.979 0.000 -4.224) 14.603 3.204 ( -0.420 -0.000 14.325) 14.331 3.352 ( -1.062 -0.000 -4.032) 4.170 3.362 ( 3.148 0.000 -1.233) 3.381 3.539 ( 14.389 0.000 -6.015) 15.595 3.602 ( -0.020 -0.000 -3.347) 3.347 3.705 ( -6.581 -0.000 -14.879) 16.269 3.732 ( 5.623 0.000 0.190) 5.627 3.869 ( 7.354 0.000 -3.769) 8.263 4.138 ( 4.915 0.000 6.788) 8.381 4.245 ( 2.757 0.000 -5.328) 5.999 4.387 ( -11.237 -0.000 -4.659) 12.164 4.404 ( 1.226 0.000 1.721) 2.113 4.543 ( -1.132 -0.000 2.019) 2.315 4.614 ( 4.799 0.000 -11.335) 12.309 4.759 ( 10.034 0.000 7.456) 12.501 4.876 ( -3.216 -0.000 -3.286) 4.598 5.217 ( -4.150 -0.000 1.142) 4.304 5.224 ( -6.238 -0.000 1.901) 6.521 5.275 ( 5.319 0.000 6.195) 8.165 5.429 ( 6.018 0.000 -3.253) 6.841 5.470 ( 4.895 0.000 -10.500) 11.585 5.620 ( -0.640 -0.000 7.306) 7.334 5.627 ( -5.571 -0.000 2.385) 6.060 5.867 ( -2.198 -0.000 7.248) 7.574 5.892 ( -0.204 -0.000 -0.350) 0.405 5.905 ( -3.691 -0.000 1.049) 3.837 6.043 ( 0.870 0.000 1.274) 1.542 6.097 ( -2.033 -0.000 -0.335) 2.060 6.145 ( -8.310 -0.000 -4.501) 9.451 6.184 ( -1.789 -0.000 -4.587) 4.924 6.314 ( 1.076 0.000 5.167) 5.278 6.411 ( 5.511 0.000 0.836) 5.574 6.588 ( -5.264 -0.000 3.188) 6.154 6.711 ( -10.106 -0.000 3.120) 10.577 6.738 ( -1.729 -0.000 2.818) 3.306 6.847 ( -0.342 -0.000 -1.403) 1.444 6.949 ( 1.830 0.000 14.216) 14.334 6.994 ( 3.548 0.000 -2.216) 4.183 7.093 ( -0.344 -0.000 2.307) 2.332 7.232 ( -2.464 -0.000 -2.527) 3.529 7.317 ( 2.527 0.000 -2.449) 3.519 7.483 ( -2.629 -0.000 -1.887) 3.236 7.598 ( 0.495 0.000 0.710) 0.866 7.619 ( -9.231 -0.000 -3.749) 9.963 7.731 ( -1.329 -0.000 -10.612) 10.695 7.786 ( 5.623 0.000 5.948) 8.185 7.836 ( 6.452 0.000 1.156) 6.555 8.100 ( -4.180 -0.000 -5.516) 6.921 8.319 ( -1.063 -0.000 8.382) 8.449 8.333 ( -8.563 -0.000 -9.737) 12.966 8.535 ( -10.270 -0.000 -2.997) 10.698 8.831 ( -3.957 -0.000 -1.856) 4.371 9.575 ( -2.804 -0.000 2.436) 3.714 9.646 ( 1.236 0.000 5.432) 5.571 9.785 ( -4.012 -0.000 -0.361) 4.028 10.012 ( -10.913 -0.000 1.371) 10.998 10.248 ( 1.519 0.000 4.404) 4.658 10.250 ( -2.761 -0.000 -1.629) 3.205 10.429 ( 0.589 0.000 -5.452) 5.484 10.626 ( -0.328 -0.000 -2.067) 2.093 10.676 ( 1.506 0.000 -1.312) 1.998 10.892 ( 7.966 0.000 7.284) 10.794 10.972 ( 0.584 0.000 2.316) 2.388 11.003 ( -8.520 -0.000 -3.565) 9.236 11.087 ( -0.774 -0.000 -2.142) 2.277 11.307 ( -2.182 -0.000 -2.280) 3.156 16.759 ( 0.388 0.000 0.737) 0.832 16.858 ( 3.271 0.000 1.275) 3.511 19.937 ( -7.557 -0.000 -16.621) 18.258 20.326 ( -14.584 -0.000 15.357) 21.179 21.350 ( 3.082 0.000 4.958) 5.838 21.468 ( 9.462 0.000 0.237) 9.465 21.619 ( 1.004 0.000 3.518) 3.658 21.683 ( 6.984 0.000 -7.849) 10.507 22.192 ( 5.049 0.000 -6.417) 8.165 22.327 ( -4.733 -0.000 14.248) 15.014 22.656 ( 2.189 0.000 -0.350) 2.217 22.700 ( -1.093 -0.000 0.975) 1.464 22.824 ( 1.524 0.000 -5.297) 5.511 23.120 ( 2.204 0.000 -3.035) 3.751 23.599 ( 3.601 0.000 -13.604) 14.073 24.070 ( -3.413 -0.000 12.900) 13.343 ======================= Grid point 102 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 17.560 8.423 -2.117) 19.591 1.920 ( 23.721 -1.085 5.011) 24.269 2.142 ( 17.228 5.197 10.157) 20.663 2.252 ( 6.210 -4.726 16.045) 17.842 2.383 ( 16.192 15.358 -5.156) 22.905 2.704 ( 10.442 1.280 -12.895) 16.643 3.026 ( 2.916 2.984 0.106) 4.174 3.147 ( 0.477 -6.311 -1.521) 6.509 3.218 ( 0.280 1.306 5.622) 5.779 3.374 ( 6.792 -0.747 -5.826) 8.980 3.433 ( 4.785 5.050 -5.218) 8.697 3.559 ( -1.835 -0.242 -8.947) 9.136 3.601 ( 8.219 1.503 3.779) 9.170 3.683 ( 9.057 1.730 -0.660) 9.244 3.871 ( 10.054 -0.244 -2.922) 10.473 3.876 ( 0.546 5.238 -3.481) 6.313 4.135 ( -4.517 5.192 1.582) 7.062 4.234 ( 5.032 5.628 -0.614) 7.574 4.296 ( 4.090 -4.210 -1.240) 5.999 4.477 ( 4.754 0.823 1.431) 5.033 4.573 ( 0.798 -5.428 1.830) 5.783 4.699 ( 0.503 -6.466 -2.002) 6.788 4.847 ( -0.673 -2.294 -0.763) 2.510 4.902 ( 2.873 -0.402 11.067) 11.441 5.148 ( -6.325 0.295 -0.525) 6.353 5.203 ( -2.316 -0.379 1.247) 2.657 5.328 ( 2.737 5.530 1.120) 6.271 5.453 ( -5.346 0.260 -0.111) 5.354 5.473 ( 1.291 -0.577 -5.646) 5.821 5.539 ( -1.484 5.237 -3.634) 6.545 5.632 ( -0.055 0.463 1.421) 1.495 5.767 ( 2.748 0.810 -3.866) 4.811 5.833 ( -2.841 6.085 0.322) 6.723 5.910 ( -2.867 -4.365 3.945) 6.545 5.991 ( -4.478 -3.537 -4.427) 7.223 6.097 ( -0.217 -2.049 2.043) 2.902 6.172 ( -1.145 -7.085 -0.467) 7.192 6.203 ( -2.742 -7.941 -2.095) 8.658 6.307 ( -1.074 2.643 4.484) 5.315 6.432 ( 0.328 4.737 0.977) 4.848 6.527 ( -6.688 -2.199 0.859) 7.092 6.648 ( -1.861 -2.001 5.784) 6.397 6.744 ( 2.613 2.902 5.024) 6.363 6.823 ( -0.928 1.217 2.490) 2.923 7.003 ( 0.249 1.617 6.797) 6.992 7.064 ( -0.793 -4.081 5.356) 6.780 7.105 ( 0.374 -2.625 -0.635) 2.727 7.180 ( -4.180 3.534 -4.351) 6.992 7.301 ( -1.690 -1.174 -3.477) 4.040 7.424 ( -4.180 -2.220 -6.513) 8.051 7.496 ( -3.437 2.912 -0.057) 4.505 7.613 ( 0.780 1.128 1.684) 2.172 7.689 ( -1.717 -3.004 -9.824) 10.416 7.823 ( 0.796 3.886 3.101) 5.035 7.948 ( 5.785 -0.248 -1.201) 5.914 8.040 ( -1.664 -1.315 -8.634) 8.891 8.184 ( -7.225 0.848 -0.493) 7.291 8.249 ( -10.040 -1.370 -2.995) 10.566 8.473 ( -0.475 0.008 8.375) 8.388 8.732 ( -5.956 2.802 1.488) 6.749 9.509 ( -5.812 0.543 2.465) 6.337 9.684 ( 1.075 3.793 0.939) 4.053 9.776 ( 2.265 -2.703 2.035) 4.071 9.900 ( -6.698 -1.574 0.481) 6.897 10.140 ( -3.474 6.391 0.006) 7.274 10.273 ( -3.621 -2.097 6.916) 8.083 10.440 ( 2.073 -0.899 -9.520) 9.784 10.527 ( 0.686 6.373 1.190) 6.519 10.787 ( 0.512 -6.292 -1.791) 6.562 10.893 ( -10.226 -8.445 -3.865) 13.814 10.965 ( 3.709 3.712 0.755) 5.302 11.085 ( 0.961 -0.999 -0.988) 1.703 11.102 ( 4.935 -6.564 4.972) 9.601 11.278 ( -2.703 -2.857 -2.843) 4.853 16.771 ( 0.683 -0.290 0.700) 1.020 16.910 ( 3.125 -0.302 1.148) 3.343 19.777 ( -8.461 -0.840 -11.499) 14.301 20.185 ( -11.121 1.888 9.836) 14.966 21.414 ( 4.571 -0.353 2.984) 5.470 21.597 ( 9.254 3.043 2.576) 10.076 21.658 ( 5.937 1.873 -2.014) 6.543 21.779 ( 8.518 -2.799 -4.398) 9.986 22.200 ( 6.127 6.734 -4.984) 10.379 22.292 ( -7.173 0.747 14.907) 16.560 22.686 ( 0.201 -0.203 -0.796) 0.846 22.694 ( 1.599 -0.295 0.627) 1.742 22.816 ( 1.941 2.548 -4.115) 5.214 23.147 ( 2.412 -1.229 -3.818) 4.680 23.577 ( 0.036 0.711 -10.864) 10.887 24.059 ( -8.779 -4.964 10.285) 14.404 ======================= Grid point 103 (45/95) ======================= q-point: ( 0.44 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 17.923 22.155 2.040) 28.570 2.076 ( 3.052 7.628 -1.342) 8.324 2.313 ( 15.972 8.180 2.838) 18.167 2.408 ( 15.811 3.152 -3.705) 16.543 2.519 ( 16.857 3.682 8.177) 19.094 2.759 ( 8.118 4.389 -4.076) 10.089 2.965 ( 6.766 10.506 2.035) 12.661 3.162 ( -2.693 -3.572 -2.006) 4.903 3.260 ( -2.878 7.999 -7.165) 11.118 3.363 ( 8.168 -5.698 0.711) 9.985 3.427 ( 2.771 0.570 -0.353) 2.851 3.551 ( 2.988 7.373 -4.610) 9.194 3.682 ( -1.034 4.179 0.294) 4.315 3.736 ( 6.834 1.780 2.737) 7.574 3.889 ( 9.993 0.791 -0.619) 10.044 3.992 ( 8.604 4.166 -3.059) 10.037 4.060 ( -1.819 -4.590 -0.490) 4.961 4.239 ( 7.533 6.224 6.891) 11.957 4.465 ( -1.218 5.525 0.148) 5.659 4.481 ( 7.044 -5.931 4.558) 10.275 4.631 ( 0.491 1.602 0.473) 1.741 4.755 ( -4.470 -7.744 -0.769) 8.975 4.853 ( -1.873 1.747 -1.232) 2.842 4.902 ( -5.350 5.153 5.895) 9.483 5.040 ( -3.868 1.742 -4.159) 5.941 5.150 ( 2.962 1.884 4.112) 5.407 5.228 ( -5.218 3.975 -1.215) 6.671 5.326 ( -10.321 0.988 -0.060) 10.368 5.385 ( -6.404 2.654 3.018) 7.561 5.552 ( 6.665 0.634 -6.901) 9.615 5.654 ( -4.874 -4.721 -3.224) 7.512 5.730 ( -1.341 0.770 0.042) 1.547 5.892 ( 4.494 -5.405 -6.121) 9.321 5.952 ( -4.221 -1.924 -4.942) 6.778 5.999 ( 0.962 -7.833 2.730) 8.351 6.131 ( -1.636 -2.826 2.145) 3.907 6.165 ( -4.961 5.710 -1.303) 7.675 6.199 ( -3.643 -2.388 2.410) 4.978 6.337 ( 1.595 1.141 2.300) 3.023 6.368 ( 0.207 -4.334 -0.565) 4.375 6.559 ( -0.303 -6.858 2.152) 7.194 6.683 ( 2.328 0.484 1.801) 2.983 6.750 ( 1.894 5.182 9.329) 10.838 6.820 ( -1.895 -2.283 3.078) 4.275 6.957 ( -0.764 6.166 0.125) 6.214 7.030 ( -7.763 3.137 -5.321) 9.921 7.055 ( -4.624 -3.703 -5.166) 7.860 7.134 ( -3.585 -0.392 4.870) 6.060 7.307 ( -1.924 -1.599 -3.914) 4.645 7.398 ( -0.121 -0.583 -0.632) 0.869 7.444 ( 0.370 -3.491 -1.359) 3.765 7.616 ( 1.754 0.655 0.925) 2.089 7.688 ( -1.520 -4.662 -8.083) 9.454 7.786 ( 2.528 4.966 2.734) 6.207 7.943 ( -2.871 -1.381 -5.398) 6.268 8.026 ( -2.907 -1.834 0.478) 3.470 8.132 ( -4.175 -3.593 -3.362) 6.453 8.185 ( -0.143 -1.243 2.311) 2.628 8.498 ( -0.223 1.314 6.968) 7.094 8.662 ( -2.122 0.681 5.147) 5.609 9.455 ( -4.280 -2.049 2.274) 5.262 9.637 ( 0.188 2.588 -1.496) 2.995 9.838 ( 2.046 0.646 2.016) 2.945 9.898 ( -0.041 -5.226 0.561) 5.257 10.038 ( 0.202 5.050 -1.136) 5.180 10.277 ( -5.617 -4.863 6.100) 9.613 10.428 ( 0.303 0.175 -5.852) 5.862 10.489 ( 0.572 2.939 0.571) 3.048 10.794 ( -5.911 -4.224 -2.175) 7.584 10.898 ( -4.719 -7.275 -3.607) 9.392 10.956 ( 2.173 3.364 0.233) 4.012 11.113 ( 2.283 -0.331 0.307) 2.328 11.254 ( -0.001 -7.448 2.547) 7.872 11.294 ( -0.188 -4.253 -2.424) 4.899 16.786 ( 0.538 -0.204 0.761) 0.954 16.952 ( 2.444 0.019 0.182) 2.451 19.662 ( -7.510 -2.971 -5.281) 9.649 20.056 ( -8.297 1.662 4.578) 9.621 21.490 ( 4.985 2.170 0.805) 5.496 21.639 ( 9.734 5.807 -1.079) 11.386 21.736 ( 4.432 -1.829 -1.049) 4.908 21.927 ( 9.809 -0.288 -1.417) 9.915 22.141 ( 1.948 8.978 -0.886) 9.229 22.261 ( -1.565 0.836 12.021) 12.151 22.669 ( -1.367 0.115 -2.367) 2.735 22.738 ( 3.473 0.679 1.716) 3.933 22.782 ( 0.770 3.271 -1.773) 3.800 23.176 ( 2.516 0.317 -4.719) 5.357 23.508 ( -2.707 1.406 -7.507) 8.103 24.039 ( -11.687 -8.581 6.393) 15.846 ======================= Grid point 104 (46/95) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 20.777 29.233 4.294) 36.121 1.933 ( -3.994 10.853 -0.412) 11.572 2.304 ( 7.291 14.098 -0.578) 15.882 2.587 ( 18.962 6.212 -8.700) 21.768 2.657 ( 5.544 2.698 4.519) 7.645 2.785 ( 7.363 6.831 4.068) 10.837 2.977 ( 14.256 12.685 0.708) 19.096 3.117 ( -3.581 0.556 -7.567) 8.390 3.270 ( 6.774 -2.130 6.354) 9.529 3.372 ( -2.006 5.325 -1.894) 5.997 3.428 ( 1.359 2.492 0.699) 2.923 3.548 ( 6.375 5.812 -2.461) 8.971 3.659 ( -0.731 -1.180 -3.083) 3.381 3.780 ( 4.317 6.656 3.044) 8.497 3.903 ( 1.609 6.177 2.161) 6.739 4.036 ( 6.970 6.667 0.406) 9.654 4.080 ( 0.677 1.969 1.236) 2.422 4.279 ( -0.310 4.450 0.915) 4.554 4.413 ( 0.797 -1.876 1.411) 2.479 4.542 ( 1.004 4.198 -0.191) 4.320 4.600 ( -3.773 2.782 -1.959) 5.081 4.652 ( -2.190 3.490 -0.264) 4.129 4.819 ( 1.925 -2.834 1.257) 3.649 4.873 ( -5.382 -4.496 2.159) 7.338 4.982 ( -2.783 2.440 -0.375) 3.720 5.079 ( -7.590 4.554 4.982) 10.157 5.194 ( -6.738 -0.787 -0.266) 6.789 5.261 ( 5.641 -2.363 0.330) 6.125 5.311 ( -2.068 -0.383 -0.004) 2.103 5.560 ( -1.914 2.382 1.519) 3.412 5.636 ( -5.151 -6.619 -9.096) 12.373 5.678 ( -4.323 -1.288 -2.132) 4.989 5.852 ( -5.893 2.274 -2.550) 6.812 5.928 ( -5.924 4.479 0.557) 7.448 6.017 ( 2.251 -5.650 -6.624) 8.992 6.107 ( -3.133 0.943 0.284) 3.285 6.123 ( 0.900 -0.544 -0.250) 1.081 6.255 ( -0.563 -7.087 0.924) 7.169 6.387 ( -2.224 -0.069 1.142) 2.501 6.409 ( 4.628 -2.243 1.305) 5.306 6.608 ( -1.903 -1.298 -0.474) 2.352 6.711 ( 2.012 0.318 -7.486) 7.759 6.756 ( -1.626 -0.956 2.703) 3.296 6.812 ( -6.202 2.547 2.397) 7.120 6.842 ( -1.603 1.565 4.352) 4.895 6.950 ( 0.252 -1.547 1.057) 1.891 7.014 ( -3.395 -4.055 -5.508) 7.636 7.148 ( 1.679 -1.409 7.400) 7.718 7.230 ( -1.541 3.041 0.502) 3.446 7.468 ( -2.706 -4.960 0.145) 5.652 7.526 ( 5.043 -3.806 -1.584) 6.513 7.676 ( 3.960 -4.631 0.147) 6.095 7.715 ( 0.271 -3.261 -2.857) 4.343 7.759 ( 3.037 4.902 0.075) 5.768 7.932 ( -0.949 0.132 -1.034) 1.410 8.011 ( -4.663 -4.462 0.067) 6.454 8.131 ( -0.283 -5.112 -1.649) 5.379 8.277 ( 4.398 -5.366 3.459) 7.753 8.472 ( -2.198 2.957 2.954) 4.722 8.667 ( -1.554 -1.983 1.490) 2.927 9.476 ( -1.470 -5.660 4.122) 7.154 9.631 ( 2.284 0.145 -1.021) 2.506 9.878 ( 3.970 -0.095 1.361) 4.198 9.990 ( 3.099 -0.982 -4.058) 5.200 10.009 ( 2.900 -2.101 3.789) 5.214 10.280 ( -7.242 -6.115 1.491) 9.595 10.390 ( -1.535 1.941 -5.916) 6.413 10.478 ( 0.585 0.295 5.428) 5.468 10.766 ( -5.118 -3.429 1.706) 6.392 10.895 ( -4.034 -3.546 -3.726) 6.536 10.945 ( 0.767 1.080 0.191) 1.338 11.159 ( 3.749 -0.325 -0.191) 3.768 11.287 ( -3.993 -3.837 -2.061) 5.909 11.350 ( -0.704 -3.383 -1.213) 3.662 16.795 ( 0.271 0.121 0.984) 1.028 16.974 ( 1.590 0.573 -1.221) 2.085 19.610 ( -5.108 -3.255 -0.052) 6.057 19.962 ( -6.320 -1.435 0.399) 6.493 21.462 ( 1.050 7.145 1.039) 7.296 21.755 ( 14.268 1.966 -3.736) 14.879 21.785 ( 1.036 -0.224 -3.123) 3.298 21.964 ( -4.875 2.871 7.431) 9.339 22.065 ( 8.266 9.188 -4.221) 13.060 22.348 ( 7.818 -1.089 10.251) 12.937 22.627 ( -2.802 0.274 -4.014) 4.903 22.721 ( -0.870 3.574 0.441) 3.705 22.799 ( 4.518 1.444 3.008) 5.616 23.155 ( 0.546 3.680 -3.656) 5.217 23.426 ( -3.245 1.493 -4.440) 5.698 24.016 ( -12.341 -10.991 1.276) 16.575 ======================= Grid point 105 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 16.435 29.413 8.072) 34.647 1.708 ( -3.353 16.875 6.553) 18.410 2.230 ( 6.681 9.702 -4.125) 12.482 2.544 ( 0.516 17.872 -15.079) 23.389 2.665 ( 3.070 4.281 4.434) 6.886 2.850 ( 7.178 2.163 6.760) 10.094 3.003 ( 13.228 11.877 -0.016) 17.778 3.036 ( -2.125 6.779 -0.493) 7.121 3.317 ( 4.495 3.575 1.566) 5.953 3.348 ( 1.656 11.818 2.062) 12.110 3.390 ( -1.813 1.929 0.553) 2.704 3.431 ( -4.828 12.547 -0.692) 13.462 3.591 ( -1.936 9.559 0.015) 9.753 3.671 ( -2.606 1.642 -2.940) 4.258 3.887 ( 0.771 4.422 2.555) 5.165 3.991 ( 5.603 3.287 -0.359) 6.506 4.098 ( 0.079 5.878 4.067) 7.149 4.172 ( -1.033 4.507 6.169) 7.709 4.374 ( -1.053 2.603 -7.218) 7.745 4.479 ( 3.722 2.435 0.644) 4.494 4.610 ( -7.015 1.442 -4.813) 8.628 4.737 ( 7.978 -10.664 -3.821) 13.856 4.783 ( -10.107 0.708 -11.666) 15.452 4.847 ( -0.095 -0.942 4.683) 4.777 4.940 ( -1.292 -4.217 5.351) 6.935 5.002 ( -1.330 0.304 3.929) 4.159 5.163 ( -3.082 -2.229 3.867) 5.425 5.309 ( 1.004 -0.523 -1.153) 1.616 5.354 ( 1.507 -1.822 -1.856) 3.006 5.485 ( 2.025 1.223 -3.454) 4.187 5.602 ( -3.198 -3.453 -4.781) 6.709 5.693 ( -2.356 2.122 -3.960) 5.073 5.791 ( 0.151 -8.636 -1.102) 8.707 5.854 ( -4.354 -0.872 4.801) 6.540 6.006 ( -5.151 1.184 0.139) 5.287 6.050 ( -3.239 -1.788 3.891) 5.369 6.191 ( 5.202 -1.536 -4.490) 7.041 6.260 ( -2.655 2.337 -1.201) 3.735 6.389 ( -3.367 -4.850 2.059) 6.253 6.439 ( -1.356 1.896 -4.459) 5.032 6.525 ( -4.687 4.284 -7.001) 9.452 6.682 ( 1.209 0.340 -4.149) 4.335 6.737 ( 2.095 -2.164 1.782) 3.500 6.769 ( -4.395 -0.804 5.025) 6.724 6.913 ( 1.145 -3.412 4.803) 6.002 6.947 ( -4.648 -3.025 3.452) 6.532 7.054 ( 2.318 -3.724 -2.852) 5.232 7.196 ( 2.051 1.819 5.299) 5.966 7.265 ( 4.111 -0.869 7.313) 8.435 7.472 ( -4.183 -6.423 -3.260) 8.329 7.615 ( 3.343 0.275 -2.372) 4.108 7.729 ( -0.048 -0.430 -0.494) 0.657 7.748 ( 0.975 0.966 -3.002) 3.301 7.808 ( 4.480 -2.282 3.071) 5.891 7.901 ( -1.704 -2.283 -0.891) 2.985 8.040 ( 0.906 -3.600 -1.594) 4.040 8.229 ( 3.157 -3.092 3.055) 5.372 8.411 ( -2.135 -5.219 -3.354) 6.561 8.433 ( 3.032 -2.450 7.773) 8.696 8.673 ( -1.995 -3.856 -3.955) 5.873 9.586 ( 0.780 -8.196 6.527) 10.506 9.676 ( 2.822 -1.393 0.161) 3.151 9.912 ( 0.463 1.447 -1.694) 2.276 10.025 ( 6.862 0.448 0.964) 6.944 10.174 ( 5.849 -8.130 1.384) 10.110 10.247 ( -8.588 -5.238 -1.214) 10.132 10.303 ( -1.816 4.781 -1.252) 5.265 10.526 ( -0.378 -3.570 4.031) 5.398 10.760 ( -1.669 -1.327 4.630) 5.097 10.861 ( -2.296 -0.505 -1.706) 2.904 10.965 ( 0.828 -2.931 -2.084) 3.690 11.211 ( 5.468 2.589 -2.826) 6.677 11.246 ( -7.834 -3.762 -0.597) 8.711 11.343 ( -1.300 -0.340 -3.281) 3.545 16.799 ( 0.235 0.379 1.186) 1.267 16.969 ( 0.438 1.262 -2.886) 3.180 19.599 ( -1.593 -1.198 4.018) 4.485 19.939 ( -4.566 -7.114 -2.109) 8.712 21.373 ( -0.091 8.229 3.045) 8.775 21.730 ( -1.790 4.829 -6.411) 8.223 21.833 ( -6.156 3.631 8.066) 10.777 21.922 ( 11.344 1.969 -5.006) 12.555 22.072 ( 7.113 5.409 -0.754) 8.968 22.504 ( 0.997 -2.555 -2.167) 3.496 22.567 ( 0.374 0.544 3.071) 3.141 22.668 ( -1.361 2.341 1.368) 3.034 22.870 ( 8.845 3.297 7.576) 12.104 23.087 ( -1.126 4.280 0.362) 4.441 23.343 ( -2.137 3.570 -2.523) 4.866 24.003 ( -10.601 -12.016 -5.924) 17.084 ======================= Grid point 106 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.726 24.207 14.239) 28.094 1.467 ( -0.109 21.497 9.037) 23.320 2.091 ( -8.336 13.405 -9.214) 18.278 2.258 ( 7.069 15.381 -14.136) 22.054 2.649 ( 4.066 7.767 2.886) 9.230 2.744 ( -0.977 30.043 2.919) 30.200 2.909 ( 1.074 15.149 2.713) 15.427 2.973 ( 3.345 10.305 9.641) 14.503 3.066 ( -5.466 16.823 8.064) 19.440 3.200 ( -3.695 4.625 -5.207) 7.884 3.355 ( -0.684 -1.471 0.278) 1.646 3.374 ( 2.264 -1.027 0.066) 2.487 3.535 ( -3.583 -0.852 -6.768) 7.705 3.702 ( 9.928 -0.751 2.394) 10.240 3.805 ( -0.789 3.741 2.194) 4.408 3.938 ( -5.677 7.735 3.729) 10.294 4.105 ( 4.309 -1.514 1.938) 4.961 4.210 ( -5.763 8.058 0.261) 9.911 4.270 ( -1.225 -4.963 2.145) 5.544 4.443 ( -2.145 0.191 -16.611) 16.751 4.514 ( -0.383 -0.774 -6.018) 6.080 4.671 ( 3.280 -0.850 -9.143) 9.750 4.810 ( -4.257 1.004 4.666) 6.395 4.965 ( 3.469 -2.503 1.672) 4.593 5.007 ( 5.592 -2.606 -1.741) 6.410 5.079 ( 5.378 -4.410 0.038) 6.955 5.190 ( -6.271 -9.215 4.403) 11.985 5.297 ( 0.952 -0.192 -1.378) 1.686 5.421 ( 4.430 -2.733 -0.913) 5.284 5.493 ( 2.011 0.699 -5.954) 6.323 5.619 ( -3.321 -3.732 -5.099) 7.138 5.664 ( 4.254 -1.505 1.104) 4.645 5.827 ( -1.164 -0.771 6.377) 6.528 5.947 ( 2.887 -3.767 -1.026) 4.856 5.989 ( -7.414 -4.785 5.323) 10.305 6.031 ( -0.909 -3.877 2.587) 4.749 6.173 ( -5.007 1.658 2.975) 6.055 6.209 ( -0.299 3.250 -5.737) 6.601 6.357 ( 0.055 0.031 -7.277) 7.277 6.404 ( -2.939 -2.237 1.207) 3.885 6.428 ( 0.206 0.491 -7.024) 7.045 6.670 ( -3.258 3.240 7.677) 8.946 6.724 ( -0.647 -0.843 -3.478) 3.637 6.849 ( 7.610 -0.709 2.179) 7.948 6.943 ( -5.105 -4.047 3.598) 7.442 6.961 ( -0.622 -3.122 1.624) 3.574 7.153 ( 5.101 -2.970 2.773) 6.522 7.233 ( 2.308 -0.377 1.538) 2.799 7.306 ( -0.364 1.348 3.909) 4.151 7.520 ( -1.791 -3.691 -1.286) 4.299 7.582 ( -1.435 0.164 -4.632) 4.852 7.675 ( -0.736 1.988 -4.865) 5.307 7.779 ( 2.580 0.243 3.267) 4.170 7.829 ( -2.517 2.411 -0.590) 3.535 7.964 ( 2.409 -1.839 6.353) 7.039 8.091 ( 1.554 -2.858 0.143) 3.256 8.288 ( 1.957 -2.283 2.018) 3.621 8.456 ( -1.662 -5.189 -8.027) 9.702 8.556 ( 1.546 -6.495 7.022) 9.689 8.698 ( -0.947 -4.883 -2.618) 5.621 9.709 ( -0.486 -3.217 4.882) 5.867 9.737 ( 1.122 -4.648 0.248) 4.788 9.897 ( 0.855 -1.149 2.531) 2.908 10.073 ( -5.409 -1.162 -1.718) 5.793 10.186 ( -3.421 0.361 2.056) 4.008 10.235 ( 1.194 2.655 0.755) 3.007 10.358 ( 6.730 -3.440 3.214) 8.213 10.554 ( -5.114 -5.749 -3.990) 8.667 10.799 ( 0.723 -2.655 4.939) 5.654 10.867 ( 2.677 0.512 1.820) 3.277 11.022 ( 4.557 -2.464 -4.909) 7.137 11.141 ( -4.300 2.551 -7.052) 8.645 11.205 ( -5.484 -0.970 2.546) 6.123 11.378 ( 6.847 -0.991 -1.706) 7.126 16.801 ( 0.268 0.657 1.187) 1.383 16.929 ( -1.067 2.174 -4.434) 5.052 19.658 ( 3.974 -3.506 9.547) 10.919 19.998 ( -2.661 -10.824 -4.320) 11.955 21.283 ( 0.542 7.940 4.958) 9.376 21.595 ( -3.315 6.225 -5.355) 8.855 21.708 ( -6.535 4.797 5.000) 9.525 22.011 ( 7.511 4.057 -4.516) 9.658 22.108 ( 4.380 1.017 3.930) 5.972 22.376 ( -13.112 -0.864 -7.442) 15.101 22.627 ( 1.018 0.796 1.469) 1.956 22.653 ( 1.150 -0.049 1.314) 1.747 22.993 ( 2.317 1.507 9.614) 10.004 23.031 ( 3.113 5.015 2.600) 6.450 23.315 ( 8.880 3.401 4.855) 10.677 23.986 ( -7.154 -9.144 -15.353) 19.248 ======================= Grid point 107 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -20.481 17.750 15.424) 31.184 1.271 ( 5.648 17.784 12.239) 22.315 1.823 ( 0.312 10.520 -16.085) 19.222 2.088 ( 5.537 19.701 -5.138) 21.099 2.258 ( 1.208 37.658 6.531) 38.239 2.653 ( 1.015 16.624 4.259) 17.191 2.692 ( 8.391 6.639 -0.482) 10.711 2.885 ( -1.503 8.252 3.858) 9.233 2.932 ( -1.997 4.303 9.402) 10.531 3.148 ( 2.522 2.640 0.287) 3.663 3.332 ( -7.841 -3.434 -8.126) 11.803 3.424 ( -3.450 2.240 1.322) 4.321 3.484 ( 2.844 -7.137 1.852) 7.903 3.779 ( -3.655 2.231 -4.116) 5.940 3.818 ( -0.581 -3.237 -0.002) 3.288 3.890 ( 7.564 6.989 10.630) 14.800 4.025 ( 0.195 -0.402 -1.889) 1.941 4.159 ( -0.587 -2.382 5.042) 5.607 4.326 ( -3.073 -3.034 -5.094) 6.678 4.359 ( -0.882 0.112 -19.968) 19.988 4.526 ( 3.317 -2.253 -2.421) 4.683 4.705 ( -5.216 2.730 3.068) 6.638 4.767 ( 10.097 1.955 -8.772) 13.517 5.019 ( 2.050 -0.260 -0.771) 2.206 5.104 ( 6.660 -0.369 -1.240) 6.784 5.191 ( -6.340 -4.710 5.845) 9.826 5.229 ( 10.910 -1.357 -6.893) 12.976 5.366 ( 1.626 -6.079 2.788) 6.883 5.467 ( -0.396 1.155 0.803) 1.462 5.571 ( 1.995 -8.816 -7.119) 11.506 5.604 ( -8.580 -7.458 -0.256) 11.372 5.705 ( 3.049 4.335 5.025) 7.303 5.833 ( -5.437 4.380 2.697) 7.484 5.939 ( 4.034 -5.235 -0.394) 6.620 5.991 ( 1.826 2.456 2.083) 3.702 6.069 ( -3.734 0.473 0.872) 3.863 6.100 ( -2.981 -0.224 -7.068) 7.674 6.205 ( 0.137 -4.305 4.814) 6.460 6.381 ( 1.309 -4.488 -3.317) 5.732 6.398 ( -1.377 0.173 2.370) 2.746 6.468 ( 2.195 -5.871 -3.629) 7.243 6.609 ( -1.479 1.218 4.305) 4.712 6.734 ( 0.710 -0.394 -0.309) 0.869 6.917 ( -3.039 -0.317 4.756) 5.653 6.972 ( 8.010 0.698 -2.488) 8.416 7.008 ( -1.788 -4.323 3.282) 5.714 7.219 ( -4.862 1.135 1.419) 5.191 7.265 ( 5.374 -0.810 4.497) 7.054 7.317 ( 4.276 1.413 -0.373) 4.519 7.449 ( -1.664 4.075 -2.938) 5.292 7.540 ( -1.305 1.441 -7.115) 7.375 7.677 ( 1.041 2.395 -0.562) 2.672 7.739 ( -4.287 1.561 0.583) 4.600 7.846 ( 1.231 -3.091 11.538) 12.008 7.990 ( -0.308 1.297 0.480) 1.417 8.155 ( 1.880 -1.352 0.896) 2.483 8.389 ( 4.261 -5.368 3.132) 7.536 8.433 ( -5.765 -4.978 -10.052) 12.612 8.615 ( -5.459 -4.690 -1.428) 7.337 8.754 ( 0.665 -3.370 1.113) 3.611 9.695 ( -3.151 0.050 1.871) 3.665 9.800 ( -1.789 -4.989 -0.452) 5.320 9.944 ( -11.277 0.055 -1.035) 11.324 10.005 ( 3.276 -4.847 7.538) 9.542 10.127 ( -3.682 0.855 1.497) 4.066 10.237 ( 0.748 2.001 1.884) 2.848 10.462 ( 6.012 2.059 2.531) 6.840 10.539 ( -5.680 -6.712 -4.607) 9.927 10.815 ( -1.160 3.068 0.670) 3.347 10.923 ( 4.471 -0.758 1.441) 4.758 10.988 ( -5.598 3.253 -6.634) 9.270 11.121 ( 3.297 -1.718 -0.727) 3.788 11.206 ( 2.335 -2.255 -0.279) 3.259 11.477 ( 5.792 0.776 -1.350) 5.998 16.794 ( -0.128 1.315 0.799) 1.544 16.862 ( -1.390 2.510 -3.605) 4.607 19.891 ( 5.907 -13.124 13.361) 19.638 20.114 ( 1.321 -12.827 -5.749) 14.119 21.232 ( 2.741 6.187 6.031) 9.065 21.462 ( -2.691 4.969 -3.744) 6.779 21.584 ( -3.696 4.787 0.617) 6.079 21.986 ( 0.207 4.841 0.701) 4.896 22.150 ( -17.566 -0.057 -4.586) 18.155 22.189 ( 2.713 -1.803 7.222) 7.923 22.638 ( 1.036 -0.176 1.701) 2.000 22.658 ( -0.105 0.619 -0.399) 0.744 22.928 ( -4.740 1.865 0.299) 5.102 23.052 ( 3.729 3.215 2.270) 5.422 23.546 ( 17.390 -0.720 13.812) 22.219 23.918 ( -1.377 -0.101 -22.777) 22.818 ======================= Grid point 111 (50/95) ======================= q-point: ( 0.33 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 19.082 0.000 0.892) 19.103 2.268 ( -1.487 -0.000 8.146) 8.280 2.276 ( 24.472 0.000 1.236) 24.503 2.479 ( 19.915 0.000 4.188) 20.350 2.731 ( 8.844 0.000 -13.511) 16.149 2.798 ( 18.738 0.000 1.131) 18.772 3.071 ( 1.468 0.000 1.791) 2.316 3.122 ( 4.286 0.000 -0.279) 4.295 3.246 ( -0.041 -0.000 8.364) 8.364 3.404 ( 2.802 0.000 -5.303) 5.997 3.426 ( -4.799 -0.000 -12.279) 13.183 3.643 ( 12.372 0.000 1.002) 12.413 3.769 ( 11.968 0.000 7.652) 14.205 3.769 ( -0.167 -0.000 0.753) 0.771 3.892 ( -5.129 -0.000 -4.669) 6.936 4.003 ( 10.298 0.000 -13.917) 17.313 4.054 ( -0.105 -0.000 -5.989) 5.990 4.339 ( 3.988 0.000 6.927) 7.993 4.378 ( 11.262 0.000 1.637) 11.381 4.555 ( 4.737 0.000 0.665) 4.783 4.573 ( -4.395 -0.000 10.096) 11.011 4.661 ( 0.685 0.000 1.458) 1.611 4.811 ( 2.235 0.000 1.538) 2.713 5.030 ( 2.796 0.000 13.978) 14.255 5.044 ( -6.870 -0.000 -3.534) 7.726 5.224 ( 2.851 0.000 1.621) 3.279 5.332 ( -9.290 -0.000 -3.015) 9.767 5.385 ( -11.480 -0.000 3.428) 11.981 5.453 ( 3.524 0.000 -2.462) 4.299 5.461 ( -8.626 -0.000 0.029) 8.626 5.663 ( -3.059 -0.000 -11.408) 11.811 5.789 ( -0.773 -0.000 -2.599) 2.711 5.799 ( -1.014 -0.000 -0.411) 1.094 5.866 ( 4.986 0.000 -8.385) 9.755 5.878 ( -4.021 -0.000 4.970) 6.393 6.107 ( -1.355 -0.000 -1.081) 1.733 6.108 ( 0.036 0.000 -0.663) 0.663 6.146 ( 4.241 0.000 0.396) 4.260 6.286 ( -4.475 -0.000 2.360) 5.059 6.416 ( -1.718 -0.000 3.750) 4.125 6.549 ( -5.046 -0.000 8.829) 10.169 6.574 ( 2.977 0.000 -3.862) 4.876 6.823 ( 3.518 0.000 0.672) 3.581 6.829 ( -2.010 -0.000 1.558) 2.544 7.026 ( 2.103 0.000 -0.184) 2.111 7.033 ( -4.405 -0.000 8.550) 9.618 7.133 ( 1.256 0.000 10.200) 10.277 7.180 ( -3.766 -0.000 -6.415) 7.439 7.199 ( -3.252 -0.000 -8.484) 9.086 7.315 ( -2.844 -0.000 -7.145) 7.691 7.492 ( -1.538 -0.000 0.358) 1.579 7.591 ( -3.389 -0.000 -11.237) 11.737 7.679 ( 3.489 0.000 7.313) 8.103 7.785 ( -7.493 -0.000 -8.608) 11.413 7.965 ( -2.903 -0.000 -1.953) 3.499 7.972 ( -2.849 -0.000 -2.612) 3.865 8.115 ( -2.383 -0.000 -1.776) 2.972 8.142 ( -4.023 -0.000 5.293) 6.648 8.513 ( 0.127 0.000 9.147) 9.148 8.681 ( -4.582 -0.000 4.819) 6.650 9.433 ( -6.388 -0.000 2.596) 6.895 9.693 ( -1.913 -0.000 -1.837) 2.652 9.815 ( -4.109 -0.000 0.211) 4.114 9.837 ( 6.351 0.000 2.027) 6.667 10.143 ( -9.435 -0.000 5.864) 11.108 10.156 ( -2.662 -0.000 -0.434) 2.697 10.464 ( 3.320 0.000 -9.451) 10.017 10.597 ( -4.416 -0.000 1.523) 4.671 10.680 ( -7.228 -0.000 -4.165) 8.342 10.727 ( 2.329 0.000 1.545) 2.795 11.060 ( 0.256 0.000 -0.702) 0.748 11.071 ( 4.993 0.000 -0.788) 5.055 11.167 ( 4.677 0.000 5.944) 7.563 11.209 ( -1.365 -0.000 -4.743) 4.936 16.783 ( 0.856 0.000 0.906) 1.247 16.951 ( 2.647 0.000 0.403) 2.678 19.619 ( -8.289 -0.000 -6.546) 10.562 20.085 ( -9.299 -0.000 4.955) 10.537 21.508 ( 8.062 0.000 1.618) 8.223 21.710 ( 4.244 0.000 -1.895) 4.648 21.788 ( 7.367 0.000 -0.749) 7.405 21.865 ( 12.395 0.000 -2.098) 12.571 22.237 ( -8.471 -0.000 14.082) 16.434 22.312 ( 5.878 0.000 -3.858) 7.030 22.667 ( -0.564 -0.000 -3.057) 3.109 22.739 ( 3.826 0.000 1.341) 4.054 22.867 ( 3.435 0.000 -1.839) 3.896 23.152 ( 2.267 0.000 -4.272) 4.836 23.544 ( -1.540 -0.000 -6.979) 7.146 23.900 ( -13.969 -0.000 8.104) 16.150 ======================= Grid point 112 (51/95) ======================= q-point: ( 0.44 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 16.713 9.480 6.260) 20.208 2.187 ( -0.961 8.781 -1.089) 8.901 2.549 ( 14.199 2.410 -4.926) 15.221 2.696 ( 18.105 4.593 -2.442) 18.838 2.844 ( 13.155 2.915 -2.499) 13.704 2.934 ( 8.921 7.191 2.579) 11.744 3.093 ( -0.819 -0.113 2.994) 3.106 3.221 ( 15.026 3.968 3.456) 15.920 3.297 ( -1.805 5.062 -5.562) 7.734 3.368 ( 3.551 -6.142 4.344) 8.319 3.441 ( 3.445 -0.744 0.296) 3.536 3.647 ( -2.017 4.639 -5.133) 7.206 3.691 ( -6.330 3.333 -3.580) 7.999 3.879 ( 3.283 -3.151 2.746) 5.315 3.937 ( 6.147 1.687 2.401) 6.811 4.028 ( 9.149 -1.990 -4.145) 10.239 4.165 ( 9.304 -1.064 -5.623) 10.923 4.409 ( -1.574 1.002 5.288) 5.607 4.495 ( -1.786 6.997 2.843) 7.760 4.530 ( -4.709 -0.228 4.525) 6.535 4.594 ( 8.846 -4.135 -1.368) 9.860 4.679 ( 0.227 0.812 2.064) 2.230 4.838 ( -4.061 1.077 3.594) 5.528 4.970 ( -0.232 6.351 1.664) 6.570 5.029 ( 0.247 2.337 1.600) 2.843 5.167 ( -10.921 0.635 -3.646) 11.531 5.171 ( -11.854 2.728 2.633) 12.445 5.229 ( -1.044 1.523 5.545) 5.845 5.384 ( -0.226 2.026 2.009) 2.862 5.461 ( -7.219 -3.711 -1.927) 8.342 5.613 ( -3.829 -5.364 -6.378) 9.172 5.728 ( 5.216 6.956 -4.884) 9.972 5.814 ( -5.974 -1.625 1.072) 6.283 5.889 ( 3.222 -3.871 -8.116) 9.551 5.959 ( 4.254 -4.580 -6.010) 8.671 6.079 ( -1.540 -0.818 -1.069) 2.045 6.107 ( -2.139 -0.874 1.975) 3.040 6.210 ( 0.783 1.904 3.028) 3.662 6.286 ( 1.008 -5.684 0.078) 5.774 6.429 ( -0.386 6.893 2.605) 7.380 6.493 ( 2.313 -6.382 3.668) 7.716 6.673 ( -1.348 -5.502 1.280) 5.808 6.772 ( -3.969 1.543 -0.088) 4.260 6.836 ( -0.413 0.353 -4.531) 4.564 6.961 ( -2.337 7.215 3.925) 8.539 7.024 ( -1.520 6.720 -6.425) 9.421 7.043 ( -2.158 3.616 -3.184) 5.279 7.119 ( 3.281 -1.146 5.812) 6.771 7.269 ( 0.893 -2.608 2.352) 3.624 7.355 ( 1.831 -7.372 -2.002) 7.855 7.416 ( -3.069 1.785 -1.042) 3.700 7.526 ( -4.814 -5.045 -9.272) 11.602 7.670 ( 1.615 0.447 2.207) 2.771 7.816 ( -2.939 -6.814 2.417) 7.805 7.874 ( 0.192 2.959 0.390) 2.991 7.950 ( -3.942 -1.824 -0.775) 4.412 8.056 ( -4.349 0.457 -0.097) 4.374 8.158 ( -0.375 -3.254 2.227) 3.961 8.523 ( -2.381 0.119 4.703) 5.273 8.649 ( -3.242 0.624 4.319) 5.436 9.383 ( -3.737 -1.546 4.700) 6.200 9.659 ( -0.271 1.420 -0.754) 1.630 9.798 ( -1.429 -3.657 -1.078) 4.071 9.919 ( 4.552 -0.798 -0.151) 4.624 10.045 ( -4.881 -0.024 2.406) 5.442 10.147 ( -3.037 -2.603 -1.159) 4.164 10.449 ( 1.197 1.647 -7.068) 7.355 10.484 ( -10.257 -2.303 2.849) 10.892 10.629 ( 0.511 1.223 -0.733) 1.515 10.819 ( 0.934 -5.316 1.494) 5.601 11.025 ( 0.087 3.273 0.700) 3.348 11.124 ( 0.153 -1.180 -2.284) 2.575 11.215 ( 3.640 -1.530 -1.290) 4.154 11.257 ( 1.954 -2.767 0.362) 3.407 16.798 ( 0.728 0.080 1.231) 1.433 16.979 ( 1.623 -0.004 -0.901) 1.856 19.523 ( -5.496 -2.129 -1.270) 6.029 19.976 ( -7.203 0.911 0.529) 7.279 21.602 ( 5.673 2.924 0.080) 6.383 21.743 ( 2.783 -1.108 -4.821) 5.676 21.855 ( 10.628 4.076 -2.545) 11.664 22.005 ( 0.077 -0.311 5.225) 5.235 22.217 ( 3.421 0.438 7.258) 8.036 22.348 ( 4.307 2.559 0.568) 5.042 22.647 ( -0.300 0.533 -4.046) 4.092 22.807 ( 4.961 -0.284 2.432) 5.533 22.861 ( 1.530 6.057 0.347) 6.257 23.186 ( 2.773 -1.864 -4.326) 5.466 23.474 ( -2.942 2.539 -4.309) 5.802 23.765 ( -15.912 -7.067 4.452) 17.971 ======================= Grid point 113 (52/95) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -1.227 9.534 5.153) 10.907 2.107 ( 14.562 20.405 6.738) 25.958 2.540 ( 4.218 11.731 -4.898) 13.394 2.786 ( 1.473 8.874 3.288) 9.578 2.891 ( 15.417 9.766 -8.645) 20.194 3.020 ( 3.098 -2.284 -3.293) 5.065 3.066 ( 6.606 9.707 -1.436) 11.829 3.253 ( 3.564 2.896 5.240) 6.967 3.334 ( -1.093 3.512 0.773) 3.759 3.426 ( 8.159 -0.158 2.117) 8.431 3.499 ( 2.556 1.394 0.923) 3.055 3.581 ( -1.185 -0.652 0.154) 1.361 3.619 ( -1.318 1.361 -3.474) 3.957 3.976 ( 8.258 3.761 4.887) 10.307 4.039 ( 7.613 2.829 2.313) 8.445 4.077 ( -6.032 2.848 -3.056) 7.337 4.170 ( -0.687 1.860 -3.556) 4.072 4.367 ( 7.131 0.444 -1.380) 7.277 4.398 ( -3.194 3.248 4.851) 6.654 4.459 ( -11.328 -2.709 -1.540) 11.749 4.648 ( 2.027 7.297 -4.110) 8.617 4.664 ( 0.318 4.274 1.101) 4.425 4.806 ( -3.922 3.524 -0.541) 5.301 4.845 ( -0.725 -0.801 1.813) 2.110 4.899 ( -11.043 1.605 -2.968) 11.547 5.096 ( -0.347 1.305 7.407) 7.529 5.116 ( -3.504 0.071 5.914) 6.875 5.274 ( 2.749 -1.803 6.488) 7.273 5.355 ( 2.040 1.611 -2.075) 3.326 5.420 ( -6.739 -4.808 -5.864) 10.145 5.570 ( -3.185 -2.778 2.092) 4.716 5.685 ( 5.140 8.408 -7.684) 12.497 5.784 ( -3.845 -2.202 0.546) 4.464 5.904 ( -5.324 4.280 -7.357) 10.039 5.956 ( 3.629 -3.761 -7.288) 8.969 6.062 ( -4.193 0.483 -0.685) 4.276 6.149 ( -0.605 -6.696 3.805) 7.726 6.212 ( 5.787 3.084 2.333) 6.960 6.368 ( -0.774 0.655 0.563) 1.160 6.405 ( 0.692 -5.233 -2.457) 5.822 6.600 ( 1.734 -1.773 1.075) 2.703 6.631 ( -5.821 2.056 -7.829) 9.971 6.689 ( -3.636 -0.610 0.544) 3.727 6.791 ( -3.381 -0.289 -3.586) 4.937 6.887 ( -1.229 1.765 1.918) 2.882 6.958 ( 0.858 0.181 -3.250) 3.366 6.994 ( 3.860 5.535 7.509) 10.096 7.222 ( -2.203 -0.563 0.477) 2.323 7.256 ( 8.171 0.239 7.840) 11.327 7.373 ( -3.751 -0.541 -5.399) 6.596 7.508 ( 4.336 -7.969 -1.420) 9.182 7.612 ( 2.495 -8.677 4.446) 10.064 7.729 ( 3.017 -1.929 2.460) 4.344 7.789 ( -0.958 -0.542 -2.598) 2.821 7.869 ( -6.338 -0.132 -0.823) 6.393 7.941 ( -0.016 -3.149 -0.775) 3.243 8.079 ( 2.676 -5.285 7.126) 9.267 8.220 ( -0.878 -6.579 -0.391) 6.649 8.483 ( -3.942 0.903 1.985) 4.505 8.591 ( -5.342 -1.031 -3.199) 6.311 9.417 ( -0.277 -4.265 7.861) 8.948 9.659 ( 1.568 -0.071 0.927) 1.823 9.853 ( -0.064 -6.482 -3.753) 7.491 10.001 ( 4.942 -3.100 -1.430) 6.007 10.019 ( -2.125 -1.351 0.842) 2.655 10.122 ( -4.011 -2.530 -2.362) 5.298 10.411 ( -1.247 1.320 -1.592) 2.415 10.421 ( -6.887 -4.151 1.440) 8.169 10.663 ( 3.406 -1.171 4.637) 5.871 10.871 ( 0.460 -0.861 1.237) 1.576 10.990 ( -0.707 2.039 0.909) 2.342 11.124 ( -1.464 -1.793 -2.255) 3.231 11.273 ( 1.132 -2.590 -1.428) 3.167 11.294 ( 1.598 -0.076 -3.565) 3.908 16.809 ( 0.458 0.353 1.760) 1.852 16.987 ( 0.444 0.185 -2.339) 2.388 19.517 ( -1.656 -3.705 2.616) 4.828 19.878 ( -4.894 0.533 -2.644) 5.588 21.574 ( 1.208 6.703 -0.034) 6.812 21.769 ( 0.197 -0.935 -4.629) 4.727 21.920 ( -5.281 2.904 6.822) 9.103 21.984 ( 11.187 2.306 -4.154) 12.154 22.259 ( 5.135 6.739 -1.373) 8.583 22.438 ( 4.748 -2.533 5.280) 7.540 22.612 ( 0.941 2.709 -1.963) 3.475 22.771 ( -2.033 6.489 1.940) 7.071 22.896 ( 5.225 -0.504 4.988) 7.242 23.207 ( 2.130 2.758 -2.144) 4.091 23.399 ( -1.580 1.257 -2.617) 3.306 23.689 ( -13.368 -11.222 -1.669) 17.533 ======================= Grid point 114 (53/95) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 1.841 12.942 8.175) 15.418 1.943 ( 0.486 26.854 10.521) 28.845 2.393 ( -2.812 11.693 -3.312) 12.475 2.667 ( -2.154 12.498 -9.824) 16.042 2.751 ( 0.456 7.474 -0.884) 7.539 3.006 ( -2.476 2.589 -4.346) 5.632 3.102 ( 11.992 8.188 4.485) 15.197 3.275 ( 3.164 3.607 1.783) 5.118 3.379 ( 2.372 1.712 -2.167) 3.641 3.393 ( -12.705 7.454 -0.965) 14.761 3.485 ( 3.846 1.559 -3.472) 5.411 3.508 ( -4.658 7.620 0.014) 8.931 3.584 ( 7.743 1.325 7.623) 10.947 3.908 ( 0.053 20.024 1.340) 20.069 3.965 ( -3.366 5.136 6.317) 8.810 4.078 ( 6.070 0.646 -3.327) 6.952 4.182 ( 0.384 -0.036 1.843) 1.883 4.208 ( -8.733 10.534 3.797) 14.200 4.350 ( -1.772 -3.778 -8.037) 9.056 4.485 ( -12.765 5.700 -1.831) 14.100 4.518 ( 2.196 2.185 -5.681) 6.471 4.666 ( 5.816 -0.929 -3.656) 6.932 4.718 ( 4.573 -4.362 1.379) 6.469 4.783 ( -4.176 -1.918 -3.054) 5.517 4.949 ( 4.911 -3.286 2.514) 6.422 5.075 ( -0.287 1.708 5.357) 5.630 5.108 ( -3.632 -0.099 7.557) 8.385 5.275 ( -3.817 0.107 3.796) 5.385 5.381 ( 6.142 0.385 -0.216) 6.158 5.471 ( 0.146 -6.122 -2.851) 6.755 5.595 ( -0.504 3.429 -6.486) 7.354 5.654 ( 5.662 -2.975 -3.206) 7.154 5.731 ( -1.535 0.782 -5.215) 5.493 5.833 ( 2.469 -1.243 0.980) 2.933 5.968 ( -2.715 2.054 1.897) 3.897 6.026 ( 0.539 -1.092 -0.910) 1.520 6.235 ( -2.579 -2.950 4.452) 5.931 6.259 ( 5.189 1.332 -2.045) 5.734 6.307 ( -3.668 -0.003 -1.086) 3.825 6.404 ( -4.049 4.510 -6.397) 8.813 6.484 ( -2.086 0.267 -6.103) 6.455 6.646 ( -1.405 -3.421 -6.251) 7.264 6.712 ( -0.791 -4.136 4.834) 6.411 6.787 ( 3.604 -1.569 1.307) 4.143 6.847 ( -3.096 1.407 4.516) 5.653 6.979 ( 1.851 1.563 1.880) 3.067 7.042 ( 4.064 -3.901 0.568) 5.662 7.237 ( 0.789 -0.591 3.680) 3.810 7.304 ( -4.458 -2.276 -5.101) 7.146 7.397 ( 6.479 0.281 9.802) 11.753 7.596 ( -1.584 -2.635 -5.585) 6.375 7.707 ( -2.217 0.524 1.017) 2.495 7.761 ( 2.874 -1.571 -0.413) 3.301 7.833 ( 1.392 -2.217 -1.219) 2.887 7.868 ( 2.648 -5.263 5.484) 8.049 8.011 ( 4.080 -3.469 1.251) 5.500 8.180 ( -5.442 -4.896 3.649) 8.180 8.295 ( 0.230 -7.379 -3.706) 8.261 8.449 ( -1.342 -1.607 3.479) 4.061 8.551 ( -3.214 -5.619 -4.911) 8.125 9.532 ( 1.549 -6.603 8.964) 11.241 9.699 ( 1.844 -0.680 2.477) 3.162 9.888 ( -1.696 -2.584 -5.946) 6.701 9.988 ( -5.894 -3.245 -3.944) 7.799 10.108 ( -1.560 -7.887 0.455) 8.053 10.153 ( 5.107 -2.717 -0.068) 5.785 10.386 ( -5.267 -3.977 1.905) 6.869 10.407 ( 2.179 1.582 1.623) 3.144 10.768 ( 4.925 -1.720 8.380) 9.871 10.883 ( 1.999 1.424 0.275) 2.469 10.967 ( 0.544 -0.198 -1.568) 1.672 11.106 ( -4.717 -2.226 -1.415) 5.404 11.265 ( -2.052 0.685 -4.549) 5.038 11.325 ( 4.348 -1.380 -3.497) 5.748 16.815 ( 0.315 0.523 2.232) 2.314 16.968 ( -0.778 0.759 -3.519) 3.683 19.583 ( 2.154 -3.420 4.838) 6.304 19.826 ( -2.086 -2.334 -4.196) 5.235 21.493 ( 0.272 7.617 2.687) 8.081 21.716 ( -4.164 2.452 -4.397) 6.533 21.820 ( -4.882 3.062 3.698) 6.847 22.094 ( 9.857 2.838 -5.325) 11.557 22.213 ( 0.777 5.813 1.920) 6.171 22.407 ( -6.591 3.686 -4.913) 9.009 22.651 ( 4.995 1.261 3.609) 6.290 22.686 ( -1.779 2.982 1.495) 3.781 22.983 ( -0.503 -1.699 10.253) 10.405 23.181 ( 3.245 5.374 1.921) 6.565 23.383 ( 3.827 1.396 -0.700) 4.133 23.694 ( -5.223 -12.323 -9.554) 16.444 ======================= Grid point 115 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -19.454 28.843 11.017) 36.494 1.789 ( 3.223 19.094 5.138) 20.034 2.109 ( -7.163 10.916 -8.108) 15.369 2.483 ( 1.584 11.475 -8.296) 14.248 2.730 ( -1.479 1.771 6.702) 7.088 2.892 ( -3.634 5.675 -0.360) 6.748 3.035 ( -14.669 13.081 -0.557) 19.662 3.135 ( 0.699 9.066 5.760) 10.763 3.212 ( -3.718 1.495 -4.297) 5.875 3.323 ( 1.378 5.674 -0.655) 5.876 3.378 ( 0.567 9.949 -0.410) 9.974 3.475 ( 3.559 20.463 4.596) 21.272 3.531 ( 3.432 5.241 -2.190) 6.636 3.826 ( -7.836 3.718 3.875) 9.500 3.885 ( 5.597 0.866 -2.860) 6.345 3.953 ( -4.454 3.596 7.924) 9.776 4.058 ( -8.140 2.994 -3.540) 9.368 4.157 ( 0.043 0.487 3.713) 3.745 4.295 ( -6.255 2.311 -3.981) 7.766 4.431 ( 8.915 4.148 -9.482) 13.660 4.517 ( 8.966 0.761 -1.103) 9.066 4.678 ( -9.669 -6.168 1.459) 11.561 4.755 ( 9.835 0.770 -4.481) 10.835 4.932 ( 3.173 -5.301 -0.761) 6.225 5.023 ( -8.399 -4.519 7.964) 12.425 5.098 ( 6.693 -0.506 1.673) 6.917 5.174 ( 11.861 -2.067 -4.142) 12.732 5.300 ( 2.369 -1.842 5.105) 5.921 5.412 ( -7.019 -1.448 -3.075) 7.798 5.466 ( 4.414 -1.335 3.040) 5.523 5.569 ( 2.691 2.519 -11.381) 11.963 5.759 ( 1.858 -5.086 -0.844) 5.481 5.774 ( 5.981 -2.365 -1.640) 6.637 5.919 ( 0.876 -0.490 -0.952) 1.383 5.958 ( 5.393 -2.272 1.218) 5.978 6.020 ( -1.460 2.691 5.896) 6.643 6.153 ( -5.807 3.527 4.791) 8.314 6.230 ( -2.447 1.606 -5.834) 6.527 6.318 ( -0.692 -0.107 -5.287) 5.333 6.344 ( 0.274 -4.087 2.129) 4.617 6.421 ( 0.393 2.257 -8.335) 8.644 6.649 ( -2.856 -2.308 -1.487) 3.961 6.736 ( 0.631 2.807 7.281) 7.829 6.838 ( -3.480 -4.949 1.644) 6.269 6.893 ( 3.065 -4.364 -0.256) 5.339 6.990 ( 2.974 0.595 1.032) 3.203 7.176 ( 2.039 -4.089 -0.328) 4.580 7.245 ( 3.448 -2.089 -0.952) 4.142 7.321 ( 1.711 -0.640 7.073) 7.305 7.476 ( 0.783 -1.251 -1.178) 1.888 7.557 ( -1.799 0.746 -1.241) 2.309 7.646 ( -2.218 -0.407 -2.140) 3.109 7.801 ( -4.897 2.237 -1.380) 5.558 7.856 ( 4.989 -0.383 5.133) 7.169 7.970 ( 0.879 -2.080 3.714) 4.346 8.123 ( 1.204 -1.788 3.788) 4.358 8.178 ( -0.783 -7.630 -2.441) 8.049 8.322 ( -3.839 -5.615 -9.636) 11.795 8.490 ( -4.085 -4.343 4.536) 7.492 8.620 ( 1.267 -6.521 0.851) 6.697 9.656 ( -0.814 -4.801 5.091) 7.045 9.710 ( -2.311 -0.617 0.356) 2.419 9.889 ( 0.084 -2.934 2.532) 3.876 9.928 ( -5.936 -2.235 -1.785) 6.589 10.137 ( -3.380 -1.898 -1.819) 4.282 10.240 ( -1.635 -3.295 2.289) 4.332 10.372 ( -4.744 -6.050 -3.783) 8.569 10.483 ( 9.288 1.715 4.829) 10.608 10.850 ( 3.002 1.623 4.687) 5.797 10.932 ( 5.089 -0.353 2.913) 5.874 10.994 ( -2.024 -2.097 -3.255) 4.369 11.061 ( -0.705 -1.913 -2.941) 3.579 11.210 ( 0.740 1.653 -4.075) 4.460 11.418 ( 5.206 -4.283 -2.515) 7.195 16.820 ( 0.270 0.718 2.315) 2.439 16.920 ( -1.660 1.716 -3.930) 4.598 19.700 ( 5.639 -3.684 7.113) 9.796 19.858 ( 0.534 -6.629 -5.282) 8.493 21.416 ( 0.950 7.401 5.160) 9.072 21.594 ( -4.219 4.323 -3.250) 6.859 21.721 ( -3.073 4.701 -2.362) 6.092 22.072 ( -8.223 2.263 -0.117) 8.530 22.181 ( 1.451 1.947 2.380) 3.400 22.236 ( -4.628 6.523 -2.085) 8.265 22.648 ( -0.219 1.068 0.527) 1.211 22.684 ( 1.522 1.645 0.309) 2.262 22.963 ( -6.755 0.283 6.260) 9.214 23.163 ( 2.265 4.859 1.894) 5.686 23.502 ( 9.185 -2.976 4.049) 10.470 23.789 ( 5.822 -7.836 -12.063) 15.518 ======================= Grid point 116 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -26.285 23.414 8.890) 36.306 1.581 ( 0.591 16.146 2.717) 16.383 1.927 ( 0.571 10.309 -5.328) 11.618 2.310 ( -1.552 8.897 -6.573) 11.170 2.593 ( -5.702 18.676 -2.515) 19.688 2.724 ( -1.198 5.838 6.901) 9.119 2.753 ( -16.398 5.342 9.396) 19.639 2.981 ( -2.385 3.296 -2.935) 5.017 3.198 ( 10.286 13.608 0.880) 17.080 3.231 ( 3.601 5.318 7.350) 9.760 3.290 ( 4.129 6.998 -4.148) 9.123 3.434 ( -4.928 -0.212 0.893) 5.013 3.467 ( 3.924 3.298 -0.567) 5.157 3.717 ( -7.181 -4.259 -1.312) 8.451 3.776 ( -1.456 3.717 1.090) 4.138 3.943 ( -3.878 1.478 5.934) 7.241 4.011 ( -3.459 1.430 -2.848) 4.703 4.168 ( -2.551 0.425 -5.710) 6.268 4.245 ( 4.334 -2.387 -1.345) 5.127 4.429 ( 7.252 3.571 -6.330) 10.267 4.633 ( 0.628 1.761 6.014) 6.298 4.653 ( 7.080 2.097 -1.163) 7.475 4.877 ( 8.696 -1.685 -9.776) 13.192 4.992 ( -6.427 -7.770 4.253) 10.943 5.032 ( 1.160 -3.431 1.493) 3.917 5.184 ( 3.177 -1.552 1.318) 3.774 5.342 ( 4.570 -0.597 -3.311) 5.675 5.371 ( 9.692 -0.460 -4.192) 10.570 5.393 ( -2.802 -5.550 0.300) 6.224 5.476 ( -2.111 2.617 -1.997) 3.911 5.576 ( 6.001 1.850 -1.912) 6.564 5.800 ( 1.754 4.291 -1.843) 4.989 5.846 ( 0.914 -3.840 0.793) 4.026 5.936 ( 0.299 2.887 2.301) 3.704 5.980 ( 2.245 -3.143 -0.424) 3.886 6.030 ( -1.104 0.298 0.208) 1.163 6.115 ( -0.645 0.252 1.266) 1.443 6.202 ( 2.339 -0.890 4.023) 4.738 6.307 ( -1.383 -4.014 -4.456) 6.155 6.399 ( 0.370 -1.686 3.450) 3.857 6.412 ( 1.324 -2.509 -5.001) 5.750 6.623 ( -0.390 -0.277 1.030) 1.136 6.737 ( -1.156 1.411 5.135) 5.450 6.863 ( -2.914 -4.053 2.151) 5.436 6.936 ( -3.527 -2.331 3.969) 5.799 7.067 ( 5.675 -1.908 -4.408) 7.435 7.185 ( 0.328 -0.498 -2.288) 2.364 7.356 ( 5.893 1.159 1.840) 6.282 7.393 ( 3.420 -0.509 4.734) 5.862 7.467 ( -0.845 1.700 -0.399) 1.940 7.502 ( -0.534 0.403 -2.695) 2.777 7.675 ( -6.727 1.728 1.254) 7.058 7.701 ( 2.555 -4.379 -0.577) 5.103 7.902 ( -2.073 4.591 9.796) 11.015 7.985 ( 1.145 -1.389 -3.236) 3.703 8.122 ( -5.433 -5.695 -3.933) 8.799 8.235 ( -1.934 -2.205 -8.931) 9.401 8.376 ( 2.788 -7.413 2.124) 8.200 8.468 ( -6.343 -2.465 2.648) 7.302 8.698 ( -1.887 -4.797 0.221) 5.160 9.628 ( -5.560 -1.322 -0.447) 5.732 9.701 ( -5.069 -2.421 0.986) 5.703 9.850 ( -3.551 1.019 0.917) 3.807 10.014 ( 2.787 -4.713 6.430) 8.446 10.067 ( -5.744 0.226 0.467) 5.767 10.217 ( -4.353 -1.127 -0.766) 4.561 10.393 ( -2.104 -4.554 -1.227) 5.165 10.597 ( 7.831 1.526 2.356) 8.319 10.858 ( 0.266 3.968 1.311) 4.187 10.915 ( -5.421 0.891 -4.748) 7.261 10.988 ( 4.358 -0.032 -0.628) 4.403 11.122 ( 2.757 -2.139 2.982) 4.590 11.260 ( 6.716 -1.364 -4.559) 8.231 11.520 ( 2.936 -2.088 -1.737) 3.999 16.814 ( -0.265 1.576 1.021) 1.896 16.866 ( -0.668 1.671 -1.823) 2.561 19.874 ( 5.545 -5.359 4.926) 9.150 19.969 ( 1.973 -11.189 -2.071) 11.549 21.369 ( 1.771 6.132 6.595) 9.178 21.485 ( -0.876 4.369 -4.769) 6.527 21.613 ( -1.187 4.352 -4.908) 6.666 21.889 ( -14.424 -0.133 0.438) 14.431 22.066 ( -5.191 7.562 0.516) 9.187 22.214 ( -0.519 -0.974 9.141) 9.207 22.650 ( 0.664 -0.332 0.785) 1.080 22.674 ( 0.485 1.331 -0.219) 1.433 22.892 ( -3.163 1.243 -0.906) 3.518 23.137 ( 1.107 3.372 2.325) 4.243 23.639 ( 3.481 -5.047 -10.212) 11.911 23.964 ( 13.064 -1.277 1.340) 13.195 ======================= Grid point 121 (56/95) ======================= q-point: ( 0.44 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -2.017 -0.000 5.451) 5.812 2.391 ( 13.156 0.000 5.814) 14.384 2.711 ( 9.167 0.000 -11.383) 14.615 2.901 ( 9.916 0.000 -4.610) 10.935 2.945 ( 4.459 0.000 1.443) 4.687 3.172 ( 10.114 0.000 -0.703) 10.138 3.174 ( 8.128 0.000 8.379) 11.674 3.312 ( 3.476 0.000 -3.066) 4.635 3.314 ( 0.074 0.000 1.856) 1.858 3.505 ( 7.388 0.000 2.684) 7.860 3.510 ( 0.650 0.000 4.661) 4.706 3.525 ( -5.674 -0.000 -2.263) 6.109 3.619 ( 0.980 0.000 -2.598) 2.776 3.930 ( 5.889 0.000 -2.619) 6.445 4.035 ( 0.167 0.000 4.313) 4.316 4.090 ( -5.141 -0.000 -2.070) 5.542 4.119 ( 3.384 0.000 -2.350) 4.120 4.382 ( -5.605 -0.000 -6.519) 8.597 4.495 ( -2.511 -0.000 5.666) 6.197 4.548 ( 0.113 0.000 5.156) 5.157 4.705 ( 7.002 0.000 -3.605) 7.876 4.714 ( 2.588 0.000 0.884) 2.734 4.800 ( -1.912 -0.000 1.266) 2.293 4.921 ( -12.513 -0.000 -1.947) 12.664 5.002 ( -11.248 -0.000 -2.683) 11.563 5.075 ( 1.044 0.000 3.526) 3.677 5.158 ( 0.801 0.000 4.237) 4.312 5.251 ( 4.917 0.000 6.173) 7.892 5.293 ( -4.472 -0.000 1.652) 4.767 5.402 ( -6.800 -0.000 -2.140) 7.128 5.553 ( 1.880 0.000 0.513) 1.949 5.696 ( -6.233 -0.000 1.022) 6.316 5.845 ( 2.623 0.000 -6.820) 7.307 5.876 ( 3.207 0.000 -9.944) 10.448 5.973 ( 8.223 0.000 -8.358) 11.725 6.063 ( -4.362 -0.000 -0.132) 4.364 6.065 ( -1.638 -0.000 -2.382) 2.891 6.246 ( 3.356 0.000 -2.163) 3.993 6.286 ( -0.326 -0.000 7.558) 7.565 6.472 ( 2.250 0.000 -4.259) 4.817 6.525 ( -2.405 -0.000 9.316) 9.622 6.570 ( -1.903 -0.000 3.471) 3.959 6.746 ( -0.948 -0.000 -0.878) 1.292 6.798 ( -0.840 -0.000 -7.558) 7.605 6.963 ( -3.924 -0.000 -6.863) 7.906 7.008 ( -2.382 -0.000 -6.277) 6.714 7.140 ( 6.980 0.000 7.136) 9.982 7.222 ( 3.789 0.000 -0.784) 3.869 7.236 ( -5.748 -0.000 0.323) 5.757 7.342 ( 9.728 0.000 0.359) 9.734 7.383 ( -3.661 -0.000 -2.974) 4.717 7.414 ( 1.715 0.000 8.873) 9.038 7.687 ( 0.549 0.000 3.952) 3.990 7.770 ( -1.354 -0.000 1.797) 2.250 7.871 ( -4.253 -0.000 -1.792) 4.615 7.879 ( -1.761 -0.000 1.391) 2.244 8.036 ( 0.666 0.000 5.432) 5.473 8.125 ( -2.130 -0.000 -0.019) 2.130 8.465 ( -5.697 -0.000 -2.084) 6.066 8.606 ( -6.120 -0.000 0.135) 6.122 9.366 ( -0.743 -0.000 8.078) 8.112 9.659 ( -0.576 -0.000 0.423) 0.714 9.751 ( -0.550 -0.000 -1.719) 1.804 9.960 ( 3.639 0.000 -3.482) 5.037 9.973 ( -4.762 -0.000 2.828) 5.538 10.118 ( 0.009 0.000 -4.829) 4.829 10.313 ( -9.861 -0.000 2.811) 10.254 10.448 ( 1.516 0.000 -6.796) 6.963 10.701 ( 2.846 0.000 3.022) 4.152 10.808 ( 1.821 0.000 4.964) 5.287 11.042 ( -1.759 -0.000 0.944) 1.996 11.089 ( -0.204 -0.000 -3.281) 3.287 11.245 ( -1.318 -0.000 2.804) 3.098 11.283 ( 6.099 0.000 -5.432) 8.167 16.814 ( 0.646 0.000 1.748) 1.863 16.987 ( 0.335 0.000 -2.083) 2.110 19.464 ( -1.393 -0.000 2.880) 3.199 19.893 ( -5.242 -0.000 -3.172) 6.127 21.683 ( 1.966 0.000 -0.985) 2.198 21.735 ( 0.927 0.000 -5.964) 6.036 21.963 ( -7.892 -0.000 7.740) 11.054 22.018 ( 12.543 0.000 -6.007) 13.907 22.348 ( 7.953 0.000 10.119) 12.871 22.398 ( 1.023 0.000 0.552) 1.162 22.653 ( 2.732 0.000 -3.103) 4.135 22.881 ( 4.754 0.000 2.093) 5.195 22.938 ( 1.315 0.000 1.222) 1.795 23.177 ( 1.399 0.000 -4.882) 5.078 23.456 ( -0.825 -0.000 -3.511) 3.607 23.497 ( -16.587 -0.000 3.061) 16.867 ======================= Grid point 122 (57/95) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -1.996 4.429 7.629) 9.044 2.452 ( 1.079 10.625 9.243) 14.124 2.681 ( 0.783 7.952 -9.463) 12.386 2.917 ( -1.016 8.509 0.451) 8.582 2.977 ( -0.971 1.689 -2.877) 3.475 3.138 ( 0.385 7.733 -7.505) 10.783 3.280 ( -0.262 -0.364 4.351) 4.374 3.301 ( 4.493 5.797 2.240) 7.669 3.368 ( 3.828 -0.262 0.181) 3.841 3.460 ( -0.772 0.499 2.497) 2.661 3.495 ( 4.312 -0.929 -1.860) 4.787 3.594 ( 1.605 0.860 6.491) 6.741 3.681 ( -2.232 2.802 -1.277) 3.803 3.942 ( -11.087 -4.422 -5.651) 13.206 4.025 ( 3.502 -5.159 -0.583) 6.263 4.125 ( 2.830 -6.502 3.203) 7.781 4.152 ( 2.507 1.885 2.112) 3.782 4.301 ( -0.378 1.782 -2.933) 3.453 4.440 ( -3.048 4.950 2.853) 6.475 4.537 ( 2.399 4.945 -0.564) 5.525 4.637 ( -5.649 3.364 -0.895) 6.635 4.711 ( -2.411 1.058 -6.694) 7.193 4.810 ( -3.885 5.914 -1.336) 7.202 4.823 ( 3.620 2.375 -6.584) 7.879 4.876 ( 1.276 -1.027 5.976) 6.196 5.061 ( -5.745 1.858 5.284) 8.024 5.144 ( -3.056 -0.977 4.646) 5.646 5.276 ( 1.355 -2.696 0.195) 3.024 5.326 ( 0.270 -1.548 4.941) 5.185 5.458 ( 10.947 2.548 4.491) 12.103 5.535 ( -2.710 -0.217 1.678) 3.195 5.690 ( -1.383 -3.944 -0.569) 4.218 5.806 ( 1.606 4.772 -8.678) 10.033 5.845 ( -2.076 1.594 -8.161) 8.570 5.970 ( -3.079 -2.172 -5.270) 6.478 6.013 ( 1.978 1.326 -7.951) 8.300 6.108 ( 2.933 -3.351 1.740) 4.781 6.279 ( -3.336 0.600 3.274) 4.713 6.294 ( -0.990 -6.571 -3.303) 7.421 6.427 ( 1.918 4.885 2.857) 5.975 6.549 ( 1.462 -1.691 0.093) 2.237 6.658 ( 0.507 -0.572 7.942) 7.979 6.691 ( -0.799 5.324 -2.446) 5.914 6.727 ( -2.798 2.736 -6.074) 7.226 6.884 ( 0.339 0.138 -4.947) 4.961 6.966 ( 0.514 1.276 -2.118) 2.525 7.126 ( -4.106 3.743 -0.969) 5.640 7.209 ( 0.630 0.598 6.459) 6.517 7.231 ( -0.717 -3.787 -8.877) 9.678 7.425 ( 3.122 -6.805 2.198) 7.803 7.482 ( 5.336 2.098 8.586) 10.324 7.606 ( 9.043 -5.241 7.856) 13.075 7.736 ( 1.189 -1.874 1.449) 2.650 7.752 ( 0.531 -2.192 -1.513) 2.716 7.806 ( -2.994 0.451 0.354) 3.048 7.920 ( 3.470 -2.921 5.211) 6.908 8.087 ( -2.739 -1.574 2.287) 3.900 8.124 ( 1.782 -4.323 2.646) 5.373 8.390 ( -5.296 -2.637 -3.668) 6.961 8.491 ( -6.957 0.395 -6.068) 9.240 9.418 ( 1.329 -2.084 9.701) 10.011 9.679 ( 1.987 -1.306 2.808) 3.680 9.758 ( -0.915 -3.170 -3.504) 4.813 9.950 ( -3.003 -2.835 1.533) 4.405 9.965 ( -3.069 -1.110 -6.984) 7.708 10.117 ( 4.793 -0.564 -4.888) 6.869 10.253 ( -5.467 -2.792 4.913) 7.862 10.456 ( 3.686 0.406 -4.210) 5.610 10.755 ( 4.106 0.091 5.957) 7.236 10.857 ( -0.250 -2.295 3.510) 4.201 10.992 ( -1.915 2.514 0.739) 3.245 11.105 ( 1.007 -0.736 -4.019) 4.208 11.217 ( -3.241 -0.650 0.826) 3.407 11.329 ( 2.878 -0.155 -4.600) 5.429 16.827 ( 0.317 0.276 2.407) 2.443 16.974 ( -0.862 -0.049 -3.062) 3.181 19.506 ( 3.270 -1.768 5.694) 6.800 19.817 ( -2.987 0.343 -5.753) 6.491 21.645 ( -1.146 3.811 -1.381) 4.212 21.725 ( -2.114 -1.022 -4.862) 5.399 21.877 ( -6.308 1.272 5.040) 8.174 22.151 ( 10.082 1.284 -5.092) 11.367 22.358 ( -0.993 5.082 3.335) 6.159 22.460 ( -0.121 -1.352 3.118) 3.400 22.702 ( 5.295 1.555 3.492) 6.531 22.858 ( -1.340 10.324 0.711) 10.435 22.933 ( -0.975 -1.489 3.591) 4.008 23.225 ( 1.389 -6.240 -5.008) 8.120 23.346 ( -6.149 -1.738 0.547) 6.413 23.471 ( 2.249 -2.229 -3.099) 4.431 ======================= Grid point 123 (58/95) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -2.214 4.849 8.117) 9.711 2.192 ( -14.291 21.540 8.922) 27.346 2.460 ( -8.080 14.048 -8.672) 18.380 2.753 ( -8.314 5.364 2.702) 10.256 2.769 ( -7.490 10.112 -8.105) 14.968 3.059 ( 0.142 3.296 -1.506) 3.626 3.255 ( -8.358 3.573 0.940) 9.138 3.275 ( -7.145 3.353 -2.786) 8.370 3.347 ( 5.567 6.124 2.580) 8.669 3.382 ( -1.269 3.674 1.241) 4.080 3.528 ( 0.314 2.353 -6.071) 6.519 3.660 ( 7.162 4.300 6.150) 10.374 3.708 ( 8.804 -4.469 9.590) 13.764 3.795 ( -16.009 -2.064 -9.065) 18.513 4.057 ( -3.017 5.424 0.510) 6.227 4.106 ( -7.559 3.753 -1.944) 8.661 4.168 ( -2.187 -1.194 -0.033) 2.492 4.235 ( 1.960 8.601 -0.210) 8.824 4.391 ( -4.773 5.290 1.356) 7.253 4.492 ( 5.698 4.837 -0.635) 7.501 4.571 ( -1.411 -2.808 2.503) 4.018 4.634 ( 1.802 6.164 -3.020) 7.096 4.793 ( 8.249 -2.523 -1.812) 8.815 4.868 ( 8.742 3.655 -0.137) 9.476 4.923 ( -4.128 -3.052 7.253) 8.886 5.007 ( 1.409 -4.139 0.897) 4.463 5.148 ( 0.814 -0.304 1.475) 1.712 5.309 ( -0.980 3.946 7.232) 8.297 5.395 ( 0.716 -3.956 -3.112) 5.084 5.483 ( 0.387 0.500 4.316) 4.362 5.541 ( 2.416 1.773 -3.478) 4.591 5.688 ( 2.730 -0.246 -6.051) 6.643 5.759 ( 4.324 0.913 -9.220) 10.224 5.893 ( 7.479 -1.188 2.426) 7.952 5.945 ( -2.044 -4.438 -3.333) 5.915 6.040 ( 3.164 -1.175 -2.831) 4.406 6.173 ( -1.329 -0.770 4.197) 4.469 6.230 ( -3.086 -2.138 -1.663) 4.106 6.346 ( -1.208 2.188 2.558) 3.576 6.412 ( 0.188 -2.004 -4.451) 4.885 6.468 ( -1.832 11.347 -3.764) 12.095 6.592 ( 1.427 -0.626 -2.634) 3.060 6.626 ( -3.355 -1.778 -1.574) 4.110 6.790 ( 0.241 -2.102 6.181) 6.533 6.918 ( -0.128 -3.280 -2.232) 3.969 6.958 ( 3.233 1.838 1.517) 4.017 7.065 ( 0.778 -0.423 -1.138) 1.442 7.196 ( -2.106 -2.694 -5.064) 6.111 7.289 ( 2.896 -1.399 6.700) 7.432 7.478 ( -3.446 -1.326 -5.173) 6.355 7.538 ( 2.384 0.165 7.109) 7.500 7.684 ( -3.030 0.904 -1.094) 3.345 7.782 ( 4.535 -3.817 1.152) 6.039 7.813 ( 1.468 -0.906 -1.680) 2.408 7.879 ( 4.731 -3.556 6.677) 8.923 8.024 ( -3.467 -4.280 -2.353) 5.990 8.090 ( 4.769 -1.267 6.139) 7.876 8.192 ( -1.905 -3.407 -1.982) 4.377 8.378 ( -2.221 -4.142 0.456) 4.722 8.461 ( 2.399 -4.668 -1.069) 5.356 9.519 ( 1.811 -4.405 9.466) 10.596 9.721 ( -1.205 0.956 0.598) 1.651 9.797 ( 2.051 -5.655 -1.381) 6.172 9.870 ( -5.827 -0.468 -5.524) 8.043 9.989 ( -1.651 -6.328 -0.490) 6.558 10.208 ( 6.150 -2.622 -4.522) 8.072 10.230 ( -5.248 -1.415 3.701) 6.576 10.521 ( 6.961 0.069 1.224) 7.068 10.842 ( 1.950 -2.388 3.370) 4.568 10.905 ( 1.852 -3.231 4.565) 5.892 10.956 ( 0.897 0.780 -1.282) 1.748 11.066 ( -1.767 2.677 -3.315) 4.613 11.203 ( -1.825 -2.065 -2.715) 3.868 11.342 ( 1.009 -1.057 -2.806) 3.163 16.834 ( 0.005 0.392 2.986) 3.012 16.944 ( -1.691 0.191 -3.555) 3.941 19.628 ( 7.322 -2.119 6.615) 10.092 19.770 ( -0.697 -0.947 -6.652) 6.755 21.571 ( -1.882 4.004 1.384) 4.636 21.661 ( -4.501 0.876 -3.699) 5.891 21.803 ( -3.329 2.106 0.070) 3.940 22.155 ( -6.526 3.808 1.473) 7.698 22.283 ( 0.960 5.190 0.119) 5.279 22.415 ( -2.391 4.969 -0.544) 5.541 22.698 ( -2.046 3.082 0.658) 3.757 22.771 ( 3.581 6.009 1.393) 7.132 22.925 ( -6.740 -3.120 7.119) 10.288 23.265 ( 0.846 1.298 -0.612) 1.666 23.368 ( 1.239 -6.717 -5.571) 8.814 23.605 ( 12.117 -4.907 -1.341) 13.141 ======================= Grid point 124 (59/95) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -22.962 30.750 5.012) 38.703 2.026 ( -0.112 7.204 3.483) 8.003 2.081 ( -13.935 12.854 -5.892) 19.852 2.460 ( -17.320 3.273 -4.382) 18.163 2.691 ( -3.523 -1.096 4.970) 6.190 2.952 ( -11.615 11.505 3.209) 16.661 3.024 ( -1.663 3.219 -6.546) 7.481 3.136 ( -3.187 14.599 3.358) 15.316 3.281 ( -0.693 2.459 0.721) 2.655 3.393 ( 1.347 0.450 1.108) 1.801 3.487 ( -1.320 5.428 -4.851) 7.399 3.533 ( -9.658 5.269 -4.768) 11.991 3.648 ( -5.851 0.363 -2.791) 6.493 3.830 ( 1.790 10.054 3.618) 10.834 3.906 ( -9.462 4.061 6.586) 12.222 3.983 ( 4.923 5.061 0.858) 7.112 4.074 ( -1.998 5.003 1.111) 5.501 4.186 ( 1.220 -0.609 -3.401) 3.664 4.264 ( -3.952 5.785 1.622) 7.191 4.483 ( -2.383 -4.015 1.497) 4.903 4.581 ( 3.982 5.354 -4.578) 8.093 4.715 ( 8.457 -0.232 2.828) 8.920 4.835 ( -4.613 -5.227 2.739) 7.490 4.922 ( 8.374 5.374 0.737) 9.977 4.985 ( 4.754 -1.108 3.982) 6.299 5.134 ( -0.517 1.115 -0.084) 1.232 5.256 ( 10.982 -7.120 -1.492) 13.173 5.287 ( 1.798 -4.062 -0.287) 4.451 5.428 ( 4.909 0.756 -1.663) 5.238 5.506 ( -0.435 2.222 6.601) 6.978 5.593 ( 5.216 -4.570 -4.455) 8.243 5.685 ( 3.269 -0.741 -6.878) 7.651 5.843 ( 3.145 -1.836 -2.978) 4.704 5.953 ( 6.763 -1.085 -7.645) 10.264 6.065 ( 7.361 1.963 3.276) 8.292 6.081 ( 1.538 -0.124 6.127) 6.319 6.090 ( -6.634 1.896 -0.479) 6.917 6.191 ( -1.942 1.946 -3.500) 4.450 6.310 ( -2.389 6.506 -1.321) 7.055 6.325 ( 0.610 -1.662 3.799) 4.191 6.427 ( 0.289 -0.019 -4.189) 4.199 6.599 ( 0.205 -1.216 -4.534) 4.698 6.671 ( -1.768 -8.234 -0.357) 8.429 6.812 ( -2.714 -0.568 8.688) 9.120 6.873 ( -3.707 0.472 -2.100) 4.286 7.008 ( 4.456 -0.262 0.541) 4.497 7.155 ( 2.930 -2.530 -2.760) 4.754 7.240 ( 2.718 -7.922 2.566) 8.760 7.384 ( 3.106 -2.665 6.668) 7.823 7.439 ( -0.446 -1.236 -6.059) 6.200 7.566 ( -0.509 0.510 4.704) 4.759 7.596 ( -4.194 2.403 -4.219) 6.416 7.764 ( -3.108 2.635 -0.149) 4.078 7.919 ( 5.275 -2.749 1.508) 6.137 7.935 ( -5.547 -6.846 -5.111) 10.186 8.023 ( 0.705 3.196 5.497) 6.398 8.136 ( -5.014 -6.576 -9.526) 12.615 8.259 ( 6.973 -1.581 5.061) 8.760 8.426 ( 1.653 -0.980 5.340) 5.675 8.570 ( 1.787 -4.091 1.401) 4.679 9.607 ( -2.549 -1.826 4.189) 5.233 9.655 ( -3.823 -0.374 -1.391) 4.085 9.819 ( -2.346 -2.804 -0.758) 3.734 9.907 ( 3.740 -2.957 4.431) 6.509 10.044 ( -1.406 -5.082 -3.787) 6.492 10.166 ( -6.458 0.169 2.536) 6.940 10.291 ( 2.570 -2.987 -2.110) 4.470 10.616 ( 5.436 0.325 2.295) 5.909 10.884 ( 1.209 -2.059 -1.932) 3.071 10.950 ( -1.652 1.796 0.101) 2.442 11.017 ( 2.259 0.359 -2.642) 3.495 11.045 ( 5.839 -3.327 4.339) 8.000 11.197 ( 0.372 -2.530 -4.060) 4.799 11.394 ( 2.075 -5.501 -1.557) 6.082 16.839 ( -0.168 0.430 3.027) 3.062 16.900 ( -1.835 0.754 -3.241) 3.800 19.778 ( 1.551 -3.729 -4.178) 5.811 19.796 ( 9.212 -1.748 4.520) 10.409 21.508 ( -1.598 3.341 3.214) 4.904 21.573 ( -3.022 2.378 -3.314) 5.076 21.717 ( -3.292 3.717 -2.663) 5.634 21.948 ( -13.422 4.479 1.809) 14.265 22.218 ( -3.372 3.803 -0.277) 5.090 22.299 ( -3.422 7.225 4.999) 9.428 22.660 ( 0.107 1.209 -0.545) 1.331 22.729 ( -0.279 3.382 0.335) 3.410 22.901 ( -3.551 -0.842 3.863) 5.315 23.231 ( -1.130 2.942 -0.269) 3.163 23.474 ( 4.662 -7.000 -10.709) 13.616 23.870 ( 14.966 -5.197 3.806) 16.293 ======================= Grid point 125 (60/95) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -19.959 32.094 3.935) 37.998 1.687 ( -11.624 12.802 0.445) 17.297 2.009 ( 0.428 0.376 -2.144) 2.219 2.225 ( -12.277 -1.377 -4.484) 13.142 2.645 ( -9.272 7.091 2.870) 12.020 2.670 ( -6.263 5.051 3.707) 8.859 2.868 ( -6.709 10.578 4.446) 13.292 2.982 ( 4.715 6.301 -4.834) 9.236 3.267 ( 0.811 0.605 0.939) 1.381 3.302 ( -11.051 2.014 -6.222) 12.841 3.390 ( -1.880 3.705 1.967) 4.597 3.429 ( 2.514 2.710 3.965) 5.420 3.555 ( -6.134 -2.694 1.020) 6.776 3.677 ( 2.317 11.306 -4.610) 12.427 3.780 ( -7.190 1.086 4.104) 8.350 3.978 ( 2.428 5.572 1.009) 6.161 4.058 ( 2.246 5.410 5.358) 7.938 4.151 ( 2.132 2.836 -7.467) 8.267 4.263 ( 3.763 -2.080 0.606) 4.342 4.508 ( 0.370 -1.038 -2.460) 2.695 4.566 ( 0.185 0.657 2.723) 2.807 4.745 ( -7.869 -7.381 2.920) 11.177 4.929 ( 1.552 -0.755 -4.053) 4.405 4.936 ( 8.163 3.525 1.746) 9.061 5.084 ( 3.635 -1.931 3.103) 5.155 5.138 ( 1.985 0.139 -3.821) 4.308 5.300 ( 2.229 -1.945 -5.104) 5.899 5.425 ( 2.077 -0.267 0.224) 2.106 5.452 ( -2.361 3.027 1.035) 3.976 5.550 ( 11.610 0.100 -3.367) 12.089 5.707 ( 4.575 0.775 -0.449) 4.661 5.773 ( 4.233 -5.275 -1.782) 6.995 5.856 ( 2.519 1.150 -3.697) 4.619 5.954 ( -2.777 0.934 -2.332) 3.745 6.020 ( 3.429 1.628 -2.437) 4.511 6.094 ( 4.542 3.557 3.825) 6.922 6.139 ( 2.904 2.936 3.536) 5.436 6.211 ( 2.407 -2.352 0.067) 3.366 6.227 ( -2.106 -2.122 0.121) 2.992 6.372 ( -1.332 -2.185 3.831) 4.607 6.439 ( 3.952 0.687 1.170) 4.178 6.595 ( -0.453 -1.931 -2.459) 3.159 6.725 ( -3.251 -3.383 0.239) 4.698 6.794 ( -2.331 -0.387 5.992) 6.441 6.864 ( -3.376 -3.641 4.048) 6.407 7.101 ( 6.550 -1.996 -0.460) 6.863 7.181 ( 1.159 -0.767 -3.220) 3.507 7.397 ( -1.393 -7.262 4.415) 8.612 7.417 ( -3.283 1.671 -1.100) 3.845 7.453 ( 3.429 -0.497 -5.329) 6.356 7.509 ( -1.872 1.814 5.508) 6.094 7.597 ( -0.755 -5.917 -2.047) 6.307 7.707 ( 0.750 2.855 2.983) 4.197 7.923 ( -3.071 -2.383 -9.673) 10.425 7.937 ( -6.237 2.715 0.370) 6.812 8.005 ( 3.000 -1.249 0.727) 3.330 8.118 ( -3.636 -4.566 -7.119) 9.206 8.402 ( 5.975 -2.597 6.628) 9.294 8.462 ( 2.731 3.438 5.913) 7.365 8.593 ( -4.362 -2.627 -2.627) 5.730 9.550 ( -3.857 0.200 0.057) 3.863 9.622 ( -3.758 -0.726 0.440) 3.853 9.840 ( -0.308 -0.214 1.106) 1.167 9.994 ( -5.435 1.936 -3.313) 6.653 10.003 ( 0.518 -4.173 5.604) 7.006 10.144 ( -0.512 -3.729 0.217) 3.770 10.348 ( 1.033 -2.112 2.136) 3.177 10.682 ( 3.389 -1.651 -1.637) 4.110 10.853 ( -3.681 1.876 -2.193) 4.678 10.911 ( -0.683 3.756 -0.669) 3.875 11.034 ( 3.632 -0.202 -2.042) 4.172 11.168 ( 4.146 -1.051 5.134) 6.682 11.282 ( 4.975 -5.235 -4.256) 8.383 11.499 ( 1.919 -4.935 -1.351) 5.464 16.828 ( -0.977 1.338 0.112) 1.661 16.871 ( -0.034 0.172 0.374) 0.412 19.841 ( 0.063 -6.880 -5.760) 8.973 19.967 ( 9.242 -0.742 6.816) 11.508 21.459 ( -2.144 2.213 1.647) 3.494 21.497 ( -1.565 3.443 -1.100) 3.938 21.613 ( -3.058 3.061 -1.976) 4.757 21.764 ( -5.180 2.199 -1.967) 5.961 22.066 ( -8.193 5.731 0.381) 10.006 22.228 ( -3.238 1.474 11.596) 12.130 22.656 ( 0.458 0.012 -0.014) 0.459 22.697 ( 0.059 1.436 0.277) 1.464 22.875 ( -0.891 1.252 -1.534) 2.172 23.172 ( -2.141 1.965 0.237) 2.915 23.568 ( 4.181 -4.998 -15.417) 16.738 24.127 ( 11.212 -2.559 7.534) 13.748 ======================= Grid point 131 (61/95) ======================= q-point: (-0.44 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -6.272 -0.000 7.553) 9.817 2.478 ( -10.475 -0.000 9.647) 14.240 2.642 ( -9.672 -0.000 -11.492) 15.021 2.926 ( -17.649 -0.000 -12.437) 21.591 2.972 ( -2.237 -0.000 3.811) 4.419 3.023 ( -6.032 -0.000 1.137) 6.138 3.296 ( -6.101 -0.000 3.162) 6.872 3.334 ( 2.896 0.000 4.156) 5.065 3.368 ( -10.276 -0.000 -2.917) 10.682 3.424 ( 4.423 0.000 -2.301) 4.986 3.598 ( 4.942 0.000 8.892) 10.173 3.617 ( -6.037 -0.000 -6.989) 9.236 3.757 ( 12.598 0.000 2.848) 12.916 3.844 ( 3.575 0.000 -8.340) 9.074 4.011 ( -2.810 -0.000 9.673) 10.073 4.022 ( -5.151 -0.000 5.190) 7.312 4.235 ( 4.441 0.000 -3.402) 5.594 4.374 ( 6.484 0.000 -4.359) 7.813 4.422 ( -4.182 -0.000 4.645) 6.250 4.488 ( -3.543 -0.000 -2.733) 4.474 4.605 ( -7.478 -0.000 -7.962) 10.923 4.752 ( -9.383 -0.000 -1.056) 9.442 4.800 ( 11.598 0.000 4.100) 12.302 4.866 ( 2.895 0.000 -5.652) 6.350 4.904 ( -0.656 -0.000 13.708) 13.724 5.067 ( 0.510 0.000 0.665) 0.838 5.069 ( 1.024 0.000 0.130) 1.032 5.297 ( 3.359 0.000 -0.144) 3.362 5.418 ( 6.268 0.000 10.376) 12.122 5.508 ( -0.039 -0.000 -3.207) 3.207 5.629 ( -2.655 -0.000 -3.611) 4.482 5.654 ( 7.309 0.000 4.928) 8.815 5.788 ( -9.825 -0.000 -6.119) 11.575 5.810 ( -0.510 -0.000 -9.266) 9.280 5.872 ( 5.470 0.000 -2.130) 5.870 5.985 ( -0.297 -0.000 -5.050) 5.058 6.145 ( 3.676 0.000 -3.149) 4.841 6.205 ( -1.837 -0.000 -4.068) 4.463 6.262 ( -1.141 -0.000 2.031) 2.329 6.520 ( 2.337 0.000 2.476) 3.405 6.581 ( -0.136 -0.000 11.274) 11.274 6.652 ( -0.872 -0.000 2.836) 2.967 6.696 ( 1.384 0.000 -2.960) 3.267 6.768 ( -0.852 -0.000 -2.850) 2.974 6.859 ( -5.149 -0.000 -6.771) 8.506 6.958 ( 2.704 0.000 -6.081) 6.655 7.082 ( -2.793 -0.000 -0.628) 2.863 7.135 ( 1.382 0.000 -1.167) 1.809 7.267 ( -1.100 -0.000 3.092) 3.281 7.392 ( 0.615 0.000 -0.876) 1.070 7.571 ( 1.442 0.000 5.555) 5.739 7.660 ( -1.836 -0.000 2.466) 3.075 7.774 ( 2.388 0.000 -5.127) 5.656 7.795 ( 5.097 0.000 1.503) 5.314 7.854 ( 12.052 0.000 8.809) 14.928 7.897 ( -4.809 -0.000 -5.415) 7.242 8.111 ( 5.957 0.000 8.085) 10.042 8.136 ( -1.850 -0.000 3.860) 4.281 8.312 ( 0.720 0.000 0.230) 0.756 8.403 ( 0.216 0.000 -5.166) 5.171 9.462 ( 1.909 0.000 9.322) 9.516 9.704 ( 1.704 0.000 -2.536) 3.055 9.741 ( 2.374 0.000 3.675) 4.375 9.864 ( -6.242 -0.000 -7.148) 9.490 9.899 ( -2.137 -0.000 0.381) 2.171 10.129 ( 0.219 0.000 -2.693) 2.702 10.270 ( 6.683 0.000 0.834) 6.734 10.496 ( 4.941 0.000 -4.122) 6.434 10.810 ( 1.939 0.000 6.997) 7.260 10.828 ( -2.990 -0.000 0.685) 3.067 10.988 ( -1.566 -0.000 -2.245) 2.737 11.124 ( 3.174 0.000 0.072) 3.175 11.162 ( -4.506 -0.000 -0.437) 4.527 11.328 ( -0.458 -0.000 -3.012) 3.047 16.840 ( -0.147 -0.000 3.008) 3.011 16.943 ( -1.790 -0.000 -3.336) 3.786 19.600 ( 8.348 0.000 7.716) 11.368 19.764 ( -1.293 -0.000 -8.026) 8.130 21.621 ( -4.564 -0.000 -1.655) 4.855 21.665 ( -3.543 -0.000 -2.935) 4.601 21.833 ( -3.038 -0.000 1.168) 3.254 22.214 ( -1.807 -0.000 -0.021) 1.808 22.412 ( -5.129 -0.000 3.429) 6.170 22.421 ( 1.172 0.000 1.894) 2.227 22.773 ( 0.165 0.000 7.023) 7.025 22.841 ( -8.284 -0.000 -1.068) 8.353 22.972 ( 0.802 0.000 1.560) 1.754 23.110 ( 2.227 0.000 -10.010) 10.254 23.340 ( 2.721 0.000 0.695) 2.808 23.546 ( 9.762 0.000 0.268) 9.766 ======================= Grid point 132 (62/95) ======================= q-point: (-0.33 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -10.713 0.662 6.739) 12.674 2.245 ( -15.609 15.434 4.888) 22.489 2.399 ( -14.668 2.505 -5.917) 16.013 2.526 ( -27.189 2.911 -6.250) 28.049 2.796 ( -7.858 10.279 0.267) 12.941 3.048 ( -2.844 -4.303 1.698) 5.430 3.161 ( -6.966 4.297 -0.264) 8.189 3.264 ( -8.082 -6.097 -0.844) 10.158 3.336 ( -1.013 6.550 -0.344) 6.637 3.494 ( -1.988 2.310 -0.861) 3.167 3.567 ( 5.491 0.366 -0.373) 5.516 3.630 ( 0.608 4.006 -1.777) 4.424 3.750 ( -5.821 6.882 -6.557) 11.147 3.827 ( 2.257 1.296 6.014) 6.553 4.000 ( -5.773 -2.186 1.286) 6.306 4.053 ( -4.400 -5.839 -4.642) 8.661 4.207 ( 5.652 7.057 4.093) 9.925 4.287 ( -7.784 8.634 -6.315) 13.230 4.390 ( -0.687 6.066 6.375) 8.826 4.515 ( -3.172 0.380 -1.025) 3.355 4.598 ( -2.282 -4.909 2.098) 5.806 4.652 ( 3.361 -7.689 2.753) 8.832 4.825 ( -2.251 5.113 10.242) 11.666 4.928 ( 1.185 -2.588 5.678) 6.352 4.988 ( 7.073 -6.355 -2.909) 9.944 5.090 ( 10.336 7.937 0.537) 13.043 5.179 ( 8.614 -1.092 0.572) 8.702 5.319 ( -5.810 3.553 -4.464) 8.143 5.406 ( 2.958 1.069 0.711) 3.225 5.516 ( 5.634 1.624 1.567) 6.069 5.632 ( 0.451 1.624 -3.564) 3.943 5.691 ( 3.362 -5.450 -0.884) 6.464 5.732 ( -1.401 0.831 -9.085) 9.230 5.808 ( 1.124 -6.225 -5.804) 8.585 5.964 ( -0.103 -7.315 4.196) 8.434 6.072 ( 11.141 0.602 1.259) 11.228 6.152 ( -1.745 0.144 -0.788) 1.920 6.199 ( 1.367 -2.663 -1.395) 3.302 6.287 ( 0.743 -2.896 -0.377) 3.014 6.471 ( -0.848 8.223 2.183) 8.549 6.559 ( -2.225 5.775 -1.563) 6.383 6.617 ( -0.169 4.739 1.109) 4.870 6.660 ( -2.060 5.731 4.055) 7.317 6.777 ( -2.215 -7.050 1.316) 7.506 6.786 ( -1.788 -2.054 -3.263) 4.250 7.001 ( 1.143 -3.713 -4.136) 5.674 7.077 ( 1.876 -1.014 -1.978) 2.908 7.157 ( 1.472 1.646 3.161) 3.856 7.286 ( -0.065 -3.502 0.587) 3.551 7.392 ( -0.726 -2.206 -4.680) 5.225 7.590 ( 0.042 1.494 2.861) 3.227 7.647 ( -2.519 -0.312 0.049) 2.539 7.785 ( 0.270 -0.378 -2.990) 3.026 7.841 ( -0.349 -1.663 -4.683) 4.982 7.854 ( 3.579 -0.673 2.069) 4.189 7.996 ( -0.928 -2.828 -3.293) 4.439 8.098 ( 0.273 2.333 1.168) 2.623 8.172 ( 2.610 -3.980 -0.090) 4.760 8.447 ( 11.893 2.101 10.186) 15.800 8.505 ( 10.128 -1.651 5.448) 11.618 9.534 ( 1.631 -1.992 8.486) 8.868 9.682 ( -2.438 0.949 -5.232) 5.850 9.763 ( -4.579 -1.271 -5.125) 6.989 9.839 ( 5.103 -1.655 6.936) 8.769 9.905 ( 0.354 -3.621 -1.788) 4.054 10.130 ( -1.708 -2.507 -0.928) 3.172 10.333 ( 6.629 5.598 -2.018) 8.908 10.601 ( 7.776 -3.490 -0.766) 8.557 10.782 ( -3.292 -2.757 -2.193) 4.822 10.893 ( 1.160 -3.853 5.088) 6.487 10.968 ( 0.498 -2.062 -3.065) 3.727 11.073 ( -2.600 3.564 -0.712) 4.469 11.161 ( -1.280 -1.346 -0.808) 2.025 11.314 ( -0.954 -0.974 -0.601) 1.490 16.845 ( -0.628 0.119 3.489) 3.547 16.905 ( -2.131 -0.115 -3.161) 3.814 19.727 ( -0.086 -0.647 -8.692) 8.717 19.775 ( 12.472 -0.335 7.950) 14.794 21.543 ( -5.685 0.275 -0.011) 5.691 21.606 ( -3.155 0.318 -2.211) 3.866 21.793 ( -1.712 1.650 -1.095) 2.618 22.080 ( -13.887 4.165 3.536) 14.923 22.313 ( -6.219 2.757 1.315) 6.929 22.425 ( -1.939 1.543 2.326) 3.399 22.722 ( -0.442 3.570 -0.408) 3.621 22.819 ( -4.404 -2.252 3.201) 5.892 22.905 ( 1.708 6.868 0.486) 7.094 23.175 ( -0.480 -7.376 -8.561) 11.310 23.389 ( 5.469 0.628 -2.466) 6.032 23.738 ( 13.671 -3.769 4.209) 14.792 ======================= Grid point 133 (63/95) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -17.585 24.591 2.404) 30.327 1.930 ( -12.254 2.299 0.504) 12.478 2.113 ( -18.028 11.303 0.536) 21.284 2.146 ( -18.680 -2.114 -1.547) 18.863 2.623 ( -8.552 -0.156 4.734) 9.776 2.941 ( -10.353 9.433 3.360) 14.404 3.070 ( -1.549 5.518 0.603) 5.763 3.164 ( -7.973 -4.886 -11.218) 14.605 3.276 ( -1.814 -2.356 -0.770) 3.071 3.369 ( -2.986 13.398 0.136) 13.727 3.490 ( -5.804 5.139 -5.548) 9.533 3.537 ( -4.029 4.261 -2.144) 6.244 3.648 ( 2.609 2.764 0.225) 3.807 3.813 ( -10.811 0.565 1.984) 11.006 3.921 ( -10.837 12.955 1.043) 16.922 3.989 ( 2.965 -2.981 3.103) 5.225 4.084 ( -1.193 -4.325 -8.222) 9.367 4.257 ( -5.558 -0.569 6.333) 8.445 4.335 ( 7.641 10.073 6.841) 14.376 4.454 ( -1.931 -0.444 0.001) 1.981 4.610 ( -2.093 -1.231 -2.591) 3.551 4.709 ( -3.288 2.665 5.777) 7.161 4.840 ( 5.470 -1.492 0.535) 5.695 5.043 ( 3.278 1.783 -1.742) 4.118 5.054 ( 1.341 -1.213 2.049) 2.733 5.147 ( 0.590 3.424 -2.829) 4.481 5.275 ( 7.436 -9.486 1.913) 12.204 5.328 ( 7.098 -0.857 -1.719) 7.353 5.490 ( 5.072 -0.521 0.931) 5.183 5.541 ( 1.514 2.207 2.981) 4.006 5.627 ( 2.518 -1.011 -4.721) 5.445 5.709 ( 4.519 0.057 -6.044) 7.547 5.774 ( -1.157 -5.645 2.868) 6.436 5.924 ( 3.384 -5.963 -6.131) 9.198 6.078 ( 2.707 -4.256 -2.234) 5.516 6.099 ( -0.742 -1.069 2.481) 2.802 6.207 ( 2.417 3.887 0.422) 4.597 6.238 ( 8.085 3.208 1.300) 8.794 6.325 ( -0.594 -1.728 3.325) 3.794 6.407 ( -0.523 7.159 -0.347) 7.186 6.414 ( 2.453 3.007 -0.708) 3.944 6.569 ( 0.062 1.825 -2.430) 3.040 6.642 ( 0.064 -0.647 5.680) 5.717 6.766 ( -4.299 -3.011 -1.992) 5.614 6.785 ( -3.881 -1.141 5.784) 7.058 7.097 ( 3.767 -4.514 1.913) 6.183 7.121 ( 2.498 -3.159 -2.312) 4.643 7.182 ( 0.704 -1.163 1.521) 2.040 7.345 ( 0.558 -4.896 -1.202) 5.072 7.428 ( 2.997 -3.369 -1.758) 4.840 7.522 ( -4.529 2.492 -5.237) 7.359 7.622 ( -0.478 2.663 2.544) 3.714 7.770 ( -0.290 -0.235 -1.540) 1.585 7.811 ( -2.278 -0.551 -4.959) 5.484 7.951 ( 2.343 -3.060 -0.602) 3.901 7.994 ( -0.430 -2.791 -0.479) 2.864 8.053 ( -2.224 1.618 -3.143) 4.177 8.309 ( 6.554 -4.117 0.979) 7.802 8.584 ( 9.441 5.135 8.170) 13.501 8.626 ( 5.827 4.427 3.808) 8.250 9.575 ( -2.776 0.728 2.577) 3.857 9.617 ( -0.655 0.570 -1.028) 1.346 9.756 ( -0.105 -4.360 0.450) 4.385 9.923 ( -0.682 -3.981 1.904) 4.465 9.991 ( 5.413 -1.799 -0.270) 5.711 10.111 ( -2.988 1.155 -0.305) 3.218 10.332 ( 3.888 2.884 0.009) 4.841 10.647 ( -1.158 0.168 -0.532) 1.285 10.873 ( 3.355 -3.012 -3.325) 5.602 10.928 ( -1.601 -3.031 -0.650) 3.489 10.999 ( 2.141 -2.753 -3.951) 5.270 11.105 ( 4.703 -5.749 3.568) 8.240 11.148 ( -1.279 -1.312 -0.075) 1.834 11.332 ( -0.169 -4.417 -0.710) 4.477 16.846 ( -1.054 0.135 2.967) 3.152 16.869 ( -1.628 -0.205 -2.015) 2.599 19.718 ( 0.070 -2.588 -7.619) 8.047 19.986 ( 14.635 1.077 6.930) 16.229 21.465 ( -6.199 -0.324 0.464) 6.224 21.565 ( -0.955 0.724 -1.137) 1.652 21.727 ( -3.316 4.333 0.332) 5.466 21.837 ( -11.870 3.408 -0.157) 12.351 22.176 ( -8.794 3.116 0.085) 9.330 22.354 ( -3.738 5.746 6.915) 9.737 22.685 ( 0.343 2.354 -0.602) 2.454 22.754 ( -2.648 2.896 1.144) 4.087 22.893 ( 0.992 0.818 1.069) 1.672 23.186 ( -3.281 -2.537 -5.757) 7.096 23.456 ( 6.018 -1.972 -9.195) 11.164 24.011 ( 13.089 -5.787 6.965) 15.916 ======================= Grid point 134 (64/95) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -13.540 35.023 2.864) 37.658 1.667 ( -11.760 7.414 4.479) 14.605 1.887 ( -10.929 -9.044 -3.569) 14.628 2.006 ( -8.560 -2.950 1.498) 9.177 2.561 ( -8.122 -4.357 2.210) 9.478 2.678 ( -7.663 9.559 -0.358) 12.256 2.920 ( -3.425 9.750 1.117) 10.394 3.129 ( -2.821 8.303 -2.237) 9.050 3.171 ( -4.575 -3.605 -3.546) 6.819 3.280 ( -0.952 1.964 -1.508) 2.652 3.332 ( -6.944 -1.291 0.619) 7.091 3.475 ( 1.400 4.174 -2.516) 5.071 3.571 ( -5.787 6.625 3.050) 9.310 3.665 ( -3.145 -2.279 -3.577) 5.279 3.728 ( -4.284 4.199 4.983) 7.799 4.060 ( -3.041 1.135 0.749) 3.331 4.102 ( 4.596 -1.077 -6.112) 7.723 4.198 ( -4.685 -1.958 6.727) 8.428 4.354 ( 4.295 3.773 2.314) 6.167 4.477 ( 0.780 -3.450 -2.292) 4.214 4.538 ( -5.005 2.105 3.556) 6.491 4.682 ( 1.909 3.037 1.595) 3.926 4.904 ( 0.497 -0.012 -3.414) 3.450 4.997 ( -0.010 -1.063 -6.155) 6.246 5.104 ( 2.554 0.679 -0.639) 2.719 5.147 ( 1.562 2.455 -3.817) 4.799 5.334 ( 2.119 -2.046 -4.080) 5.032 5.395 ( -4.387 1.447 -0.149) 4.622 5.471 ( -2.454 -0.057 2.807) 3.729 5.654 ( -1.108 -4.892 -3.335) 6.023 5.678 ( 9.833 -0.336 -1.539) 9.958 5.778 ( -0.848 -1.326 2.870) 3.273 5.840 ( 2.182 -6.239 -0.900) 6.670 5.953 ( 0.955 1.706 -3.560) 4.062 6.092 ( 0.715 -0.534 -0.965) 1.315 6.179 ( 3.465 0.400 -0.411) 3.512 6.227 ( 2.089 0.440 6.413) 6.759 6.259 ( 8.725 7.154 -0.753) 11.308 6.304 ( 2.605 3.626 -1.431) 4.688 6.349 ( -0.333 0.680 7.715) 7.752 6.507 ( 4.958 -3.178 1.978) 6.212 6.575 ( 3.159 -0.144 0.181) 3.167 6.682 ( 1.185 -0.921 2.902) 3.267 6.749 ( -4.579 -2.372 4.497) 6.842 6.803 ( -1.405 -3.258 7.640) 8.424 7.167 ( 2.370 -0.668 -2.936) 3.832 7.189 ( 2.391 0.728 0.992) 2.689 7.247 ( -0.959 -8.805 4.068) 9.746 7.361 ( -5.565 -0.903 -9.688) 11.209 7.417 ( -0.205 0.013 0.175) 0.270 7.519 ( -0.205 -2.498 -2.885) 3.821 7.598 ( 3.513 1.879 3.027) 5.004 7.733 ( -3.539 1.052 -0.854) 3.789 7.838 ( 4.380 -4.728 -8.544) 10.702 7.902 ( -5.041 4.315 -1.386) 6.778 8.038 ( 0.746 -0.665 -0.591) 1.161 8.048 ( 2.637 -1.701 1.007) 3.296 8.418 ( 1.554 -2.924 -3.861) 5.087 8.598 ( 2.664 6.382 0.251) 6.921 8.619 ( 3.917 7.401 7.420) 11.188 9.536 ( -0.256 1.437 1.632) 2.190 9.599 ( 0.175 1.574 -0.443) 1.644 9.830 ( 0.369 -2.528 3.063) 3.988 9.938 ( -2.367 -0.829 -0.592) 2.577 10.000 ( -0.435 3.270 -2.992) 4.454 10.108 ( 1.770 -4.071 2.783) 5.239 10.375 ( 3.231 0.066 3.707) 4.918 10.652 ( 0.056 -3.153 -4.109) 5.179 10.829 ( -4.045 1.798 -0.279) 4.436 10.924 ( -0.891 0.037 -0.568) 1.057 11.071 ( 1.889 1.413 -3.079) 3.878 11.205 ( 0.600 -3.162 1.746) 3.662 11.241 ( 5.260 -7.733 -1.105) 9.418 11.441 ( 2.564 -7.885 -0.699) 8.320 16.823 ( -1.449 0.583 -0.634) 1.686 16.870 ( 0.004 -0.975 1.956) 2.185 19.735 ( -1.439 -4.818 -5.378) 7.363 20.162 ( 11.972 4.562 5.583) 13.975 21.388 ( -6.133 -0.829 0.492) 6.208 21.532 ( -2.996 3.394 2.725) 5.284 21.605 ( -1.191 1.293 -3.412) 3.838 21.755 ( 1.344 -0.016 -1.844) 2.282 22.008 ( -8.384 3.744 -1.370) 9.284 22.251 ( -5.849 4.696 13.200) 15.183 22.663 ( -0.215 0.794 -0.411) 0.919 22.709 ( -1.066 0.959 0.703) 1.597 22.887 ( 0.189 1.962 -1.428) 2.434 23.135 ( -3.227 -0.464 -3.517) 4.795 23.514 ( 3.087 -3.230 -13.071) 13.814 24.252 ( 8.790 -3.124 7.542) 11.996 ======================= Grid point 141 (65/95) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -15.524 -0.000 6.732) 16.920 2.078 ( -30.365 -0.000 -3.339) 30.548 2.127 ( -17.946 -0.000 -6.851) 19.209 2.295 ( -6.697 -0.000 13.743) 15.288 2.798 ( -14.545 -0.000 -1.622) 14.635 2.833 ( -9.035 -0.000 -1.307) 9.129 3.123 ( -3.024 -0.000 1.506) 3.379 3.185 ( 1.027 0.000 -2.408) 2.618 3.351 ( -7.287 -0.000 -5.015) 8.846 3.420 ( -10.803 -0.000 -0.801) 10.833 3.515 ( -11.309 -0.000 -1.327) 11.386 3.690 ( 5.234 0.000 2.056) 5.623 3.764 ( -0.796 -0.000 -4.971) 5.034 3.780 ( -17.110 -0.000 -3.932) 17.556 3.864 ( 6.502 0.000 -2.387) 6.926 4.022 ( 3.579 0.000 -8.141) 8.893 4.227 ( -10.695 -0.000 9.962) 14.616 4.237 ( -8.390 -0.000 -8.954) 12.271 4.450 ( -8.243 -0.000 -0.272) 8.248 4.501 ( -2.408 -0.000 0.970) 2.596 4.535 ( 5.943 0.000 4.411) 7.401 4.740 ( 14.723 0.000 16.062) 21.789 4.904 ( 5.531 0.000 10.734) 12.075 4.952 ( -2.595 -0.000 9.424) 9.775 5.004 ( 4.664 0.000 -3.459) 5.806 5.103 ( -7.729 -0.000 -6.571) 10.145 5.233 ( -2.175 -0.000 -4.371) 4.882 5.426 ( 3.906 0.000 -1.097) 4.057 5.431 ( 9.160 0.000 -3.142) 9.684 5.550 ( 2.164 0.000 4.571) 5.058 5.684 ( 5.867 0.000 -1.336) 6.017 5.709 ( 5.374 0.000 -4.686) 7.130 5.760 ( 2.532 0.000 -7.993) 8.385 5.763 ( 3.355 0.000 -2.037) 3.925 5.889 ( 2.457 0.000 0.262) 2.471 6.149 ( 1.218 0.000 0.400) 1.282 6.153 ( -0.616 -0.000 -0.531) 0.813 6.262 ( 3.737 0.000 -4.333) 5.722 6.316 ( 9.206 0.000 8.452) 12.497 6.538 ( -0.688 -0.000 3.476) 3.543 6.591 ( -7.547 -0.000 10.831) 13.201 6.599 ( -3.078 -0.000 -2.480) 3.953 6.649 ( -4.447 -0.000 -3.076) 5.407 6.700 ( -1.660 -0.000 0.826) 1.854 6.734 ( 2.023 0.000 -0.091) 2.025 7.011 ( 5.385 0.000 -5.283) 7.544 7.064 ( -0.139 -0.000 1.180) 1.188 7.236 ( 2.253 0.000 5.449) 5.896 7.243 ( 0.588 0.000 -2.577) 2.643 7.382 ( 3.366 0.000 -4.284) 5.448 7.584 ( -3.725 -0.000 -3.312) 4.985 7.615 ( 0.326 0.000 -3.329) 3.345 7.750 ( -1.047 -0.000 -0.877) 1.366 7.839 ( -1.062 -0.000 -5.420) 5.523 7.892 ( 0.920 0.000 2.913) 3.055 7.955 ( 1.479 0.000 2.285) 2.721 8.072 ( -1.482 -0.000 -6.117) 6.294 8.248 ( 8.972 0.000 0.932) 9.020 8.679 ( 13.920 0.000 3.633) 14.386 8.696 ( 10.862 0.000 11.053) 15.496 9.570 ( 0.633 0.000 6.914) 6.943 9.657 ( -0.234 -0.000 -5.459) 5.464 9.679 ( -2.541 -0.000 -0.381) 2.569 9.843 ( -1.292 -0.000 0.042) 1.292 9.975 ( 8.653 0.000 3.964) 9.518 10.107 ( 1.132 0.000 -1.049) 1.543 10.489 ( 7.119 0.000 -4.072) 8.201 10.637 ( 6.505 0.000 -0.814) 6.555 10.700 ( -5.236 -0.000 -1.984) 5.599 10.884 ( -2.602 -0.000 -4.268) 4.999 10.939 ( 2.895 0.000 5.616) 6.319 11.079 ( -0.478 -0.000 -0.856) 0.981 11.083 ( -6.701 -0.000 -0.996) 6.775 11.307 ( 0.081 0.000 -0.073) 0.109 16.846 ( -1.220 -0.000 3.808) 3.999 16.865 ( -2.048 -0.000 -2.493) 3.226 19.688 ( -0.037 -0.000 -9.453) 9.453 20.001 ( 16.423 0.000 7.878) 18.214 21.461 ( -6.782 -0.000 2.064) 7.089 21.566 ( -1.404 -0.000 -2.532) 2.895 21.779 ( -1.563 -0.000 -1.530) 2.187 21.902 ( -17.192 -0.000 2.183) 17.331 22.221 ( -9.524 -0.000 1.818) 9.696 22.428 ( -1.114 -0.000 3.526) 3.697 22.753 ( -2.790 -0.000 2.368) 3.660 22.768 ( 0.105 0.000 0.381) 0.395 22.972 ( -1.464 -0.000 2.631) 3.011 23.074 ( 1.150 0.000 -13.105) 13.155 23.456 ( 5.104 0.000 -4.268) 6.653 23.908 ( 12.520 0.000 6.846) 14.270 ======================= Grid point 142 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -24.308 -1.161 -2.784) 24.494 1.687 ( -19.621 -1.348 4.660) 20.212 1.919 ( -7.814 9.689 5.511) 13.613 2.153 ( -10.961 14.209 10.090) 20.588 2.504 ( -13.475 2.424 3.220) 14.065 2.837 ( -7.339 -10.496 -3.423) 13.257 3.016 ( -13.175 7.668 -4.615) 15.927 3.092 ( -1.685 2.135 -1.192) 2.969 3.218 ( -2.768 -0.980 -5.525) 6.257 3.309 ( -13.557 -1.860 -4.698) 14.468 3.389 ( -8.141 -0.371 2.187) 8.437 3.535 ( -6.728 0.200 -1.900) 6.994 3.596 ( -13.061 2.963 0.979) 13.429 3.795 ( 1.828 5.833 -2.630) 6.655 3.956 ( 1.248 2.664 -1.151) 3.160 4.028 ( 3.531 -0.983 -10.805) 11.409 4.065 ( -0.568 4.693 2.977) 5.587 4.132 ( -7.025 -1.629 3.061) 7.834 4.359 ( -5.712 -2.103 -2.450) 6.562 4.407 ( -5.007 2.403 -0.673) 5.595 4.667 ( 2.366 -3.279 1.536) 4.326 4.842 ( 5.284 12.866 12.256) 18.538 4.880 ( -1.922 0.489 -0.525) 2.051 4.986 ( 1.022 0.847 -6.672) 6.803 5.069 ( 3.913 -6.599 2.864) 8.189 5.209 ( -1.793 0.412 -1.246) 2.222 5.222 ( 4.783 -12.301 6.344) 14.643 5.371 ( 1.311 4.399 -4.761) 6.613 5.452 ( -4.018 2.131 -2.514) 5.197 5.654 ( 3.579 0.931 2.697) 4.577 5.711 ( -1.279 -6.438 4.718) 8.084 5.730 ( 8.185 8.461 -0.454) 11.781 5.780 ( 7.183 1.500 -4.335) 8.523 5.874 ( 4.365 -5.674 -3.388) 7.920 6.045 ( 6.572 -7.150 -4.948) 10.899 6.113 ( 1.015 1.985 1.668) 2.784 6.203 ( 0.187 -3.055 0.098) 3.062 6.266 ( 0.230 -2.306 -3.584) 4.268 6.438 ( -2.466 4.140 8.424) 9.705 6.469 ( 3.192 3.552 -4.370) 6.473 6.523 ( 4.328 1.601 2.406) 5.204 6.566 ( -4.913 0.327 5.105) 7.092 6.633 ( -0.122 -1.628 7.354) 7.533 6.704 ( -1.106 1.113 6.337) 6.528 6.789 ( 4.611 -0.551 0.096) 4.645 7.043 ( 1.402 -2.227 0.886) 2.777 7.137 ( 3.407 -3.796 -4.166) 6.585 7.239 ( 3.767 1.375 2.027) 4.494 7.309 ( 1.511 -1.795 1.254) 2.660 7.413 ( 1.016 -1.798 -3.638) 4.183 7.497 ( -2.333 3.478 -4.005) 5.795 7.623 ( 0.339 -2.162 -4.049) 4.603 7.745 ( -2.029 -0.194 -1.326) 2.432 7.769 ( -1.577 0.312 -4.725) 4.991 7.929 ( 0.554 -1.922 3.844) 4.333 8.010 ( 1.874 -1.050 2.694) 3.445 8.038 ( 0.747 1.243 -5.447) 5.637 8.383 ( 9.830 -0.237 -1.351) 9.925 8.784 ( 3.374 5.171 1.270) 6.303 8.808 ( 8.453 6.081 1.452) 10.514 9.579 ( 0.267 1.258 3.283) 3.526 9.647 ( 3.324 1.540 -1.162) 3.844 9.726 ( 2.044 -3.177 7.196) 8.127 9.850 ( -0.893 -4.003 -2.177) 4.644 10.084 ( 5.551 2.096 1.965) 6.250 10.125 ( 2.672 2.103 -1.462) 3.702 10.461 ( 4.191 7.746 -0.896) 8.852 10.611 ( -3.764 0.878 -1.844) 4.283 10.828 ( -2.448 -6.425 -1.929) 7.141 10.833 ( 0.832 -6.366 -2.171) 6.778 10.978 ( -1.200 -1.936 -0.191) 2.286 11.079 ( 0.865 -2.505 -0.558) 2.708 11.108 ( 3.860 -7.259 3.461) 8.920 11.291 ( -1.616 -0.026 -2.303) 2.813 16.831 ( -1.790 0.152 -0.929) 2.023 16.846 ( -1.195 -0.659 2.865) 3.173 19.658 ( -0.762 -1.313 -8.480) 8.615 20.253 ( 17.575 1.909 6.807) 18.943 21.379 ( -6.875 0.039 3.331) 7.640 21.556 ( 0.543 -0.532 -1.961) 2.104 21.671 ( -12.996 2.359 0.607) 13.222 21.752 ( -1.844 -0.117 -1.069) 2.134 22.084 ( -9.026 1.838 -0.501) 9.225 22.403 ( -2.293 4.188 7.040) 8.506 22.706 ( -1.961 1.869 0.046) 2.709 22.746 ( -3.235 1.389 1.551) 3.847 22.936 ( 0.682 2.644 0.559) 2.788 23.081 ( -0.661 -3.758 -9.181) 9.942 23.484 ( 3.035 0.841 -8.073) 8.666 24.126 ( 10.491 -4.859 7.993) 14.055 ======================= Grid point 143 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -17.561 32.377 8.997) 37.916 1.484 ( -17.970 -9.624 2.015) 20.484 1.566 ( -9.678 -9.788 -4.554) 14.499 2.011 ( 2.536 5.618 11.981) 13.474 2.352 ( -14.182 -4.549 -0.261) 14.896 2.707 ( -6.958 8.843 -4.567) 12.144 2.951 ( -7.452 -16.895 -2.971) 18.703 3.020 ( -1.336 8.011 3.482) 8.837 3.047 ( -12.780 -0.240 -2.351) 12.997 3.236 ( -1.007 -3.744 -1.096) 4.029 3.316 ( -7.690 8.127 0.035) 11.188 3.384 ( -9.292 -6.640 3.369) 11.908 3.518 ( -1.659 -0.237 -0.217) 1.690 3.688 ( -1.013 2.017 -3.818) 4.435 3.854 ( 2.768 11.396 0.157) 11.728 3.985 ( -8.883 -0.516 4.008) 9.759 4.067 ( 2.391 -3.241 -11.864) 12.529 4.161 ( -0.506 2.755 3.485) 4.471 4.314 ( 0.519 -2.212 -1.954) 2.997 4.376 ( -2.616 -5.479 -5.036) 7.888 4.656 ( -4.610 -2.186 -1.679) 5.371 4.752 ( 3.481 12.568 8.967) 15.826 4.929 ( 2.628 1.437 -3.994) 4.992 5.004 ( 6.054 -0.444 -4.497) 7.555 5.144 ( -1.028 2.751 -1.663) 3.375 5.218 ( -7.049 -7.396 -4.443) 11.141 5.223 ( 1.848 2.839 0.304) 3.401 5.359 ( -5.232 -0.433 -1.758) 5.536 5.416 ( 3.857 -0.194 -1.877) 4.294 5.621 ( -0.778 4.957 1.284) 5.180 5.725 ( -5.106 -3.116 1.171) 6.095 5.800 ( 4.811 2.465 1.478) 5.605 5.839 ( 3.889 2.771 -0.476) 4.799 5.967 ( 3.333 -3.496 -0.050) 4.831 6.067 ( -0.459 -1.124 -0.374) 1.270 6.197 ( 2.010 -2.645 -4.061) 5.246 6.264 ( 1.389 -3.193 4.369) 5.587 6.314 ( 2.364 -1.109 1.104) 2.835 6.372 ( -0.846 1.478 4.416) 4.733 6.474 ( 1.699 4.005 -1.420) 4.576 6.540 ( 2.229 -1.711 2.558) 3.800 6.617 ( -3.194 -1.415 12.898) 13.363 6.653 ( 3.780 -0.537 1.012) 3.950 6.733 ( 2.380 -2.090 7.551) 8.188 6.876 ( 7.985 3.012 5.061) 9.922 7.127 ( -2.428 -4.781 3.634) 6.477 7.150 ( -0.136 -0.984 -6.859) 6.931 7.274 ( -2.144 1.359 -9.827) 10.149 7.305 ( 6.072 1.183 3.140) 6.937 7.429 ( -0.544 2.180 0.994) 2.456 7.473 ( 1.120 -3.883 -3.024) 5.047 7.637 ( -2.376 0.928 0.465) 2.593 7.662 ( -1.964 -1.402 -2.116) 3.210 7.814 ( 2.347 -3.672 -6.908) 8.167 7.930 ( 1.081 2.472 0.507) 2.745 8.036 ( -0.511 -0.444 -0.978) 1.189 8.074 ( 5.203 -2.033 2.451) 6.100 8.467 ( 7.032 5.312 -4.697) 9.987 8.713 ( 0.602 6.711 -2.314) 7.124 8.770 ( 0.802 7.675 0.277) 7.722 9.592 ( 3.501 2.445 2.524) 4.960 9.673 ( 5.053 3.994 1.147) 6.542 9.819 ( 0.933 -3.244 6.179) 7.041 9.890 ( -0.954 -2.602 -0.319) 2.789 10.063 ( 2.789 4.989 -3.624) 6.768 10.118 ( 1.102 2.071 1.802) 2.958 10.451 ( 2.737 2.463 1.893) 4.140 10.605 ( 1.556 -2.411 -2.629) 3.892 10.773 ( -5.260 -1.223 0.148) 5.402 10.888 ( -0.798 -3.044 0.917) 3.278 11.066 ( -2.771 -2.384 -0.520) 3.693 11.138 ( 3.759 -6.479 -4.590) 8.785 11.218 ( -0.575 -2.629 0.059) 2.692 11.367 ( 4.685 -10.573 0.108) 11.565 16.805 ( -1.333 0.097 -0.490) 1.424 16.859 ( -0.292 -1.617 2.288) 2.817 19.638 ( -2.528 -2.948 -5.584) 6.801 20.426 ( 11.309 7.536 5.754) 14.757 21.303 ( -6.182 -0.620 2.840) 6.831 21.514 ( -2.837 1.209 -0.742) 3.172 21.600 ( 2.871 -2.127 -4.274) 5.571 21.757 ( 0.519 -2.611 3.167) 4.137 21.945 ( -5.214 2.699 -3.749) 6.966 22.295 ( -6.769 8.194 13.069) 16.845 22.661 ( -1.525 0.885 -0.687) 1.892 22.695 ( -2.460 0.244 0.265) 2.486 22.915 ( -0.082 2.606 -0.424) 2.641 23.071 ( -1.251 -1.514 -5.541) 5.879 23.461 ( -0.788 -0.756 -10.949) 11.003 24.340 ( 7.106 -3.872 6.591) 10.437 ======================= Grid point 151 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -24.373 -0.000 -0.496) 24.378 1.428 ( -22.536 -0.000 5.582) 23.217 2.019 ( 3.578 0.000 8.632) 9.344 2.165 ( -17.729 -0.000 17.748) 25.086 2.333 ( -15.021 -0.000 2.964) 15.311 2.500 ( -20.486 -0.000 -6.848) 21.600 2.874 ( -5.240 -0.000 -13.948) 14.900 3.071 ( -9.044 -0.000 5.127) 10.396 3.133 ( -6.124 -0.000 -3.666) 7.137 3.200 ( -5.500 -0.000 -1.064) 5.602 3.204 ( -8.492 -0.000 4.134) 9.445 3.412 ( -8.786 -0.000 -3.643) 9.512 3.506 ( -4.525 -0.000 2.050) 4.968 3.746 ( -8.372 -0.000 -8.592) 11.996 3.987 ( -9.720 -0.000 9.546) 13.623 4.021 ( 2.443 0.000 -15.977) 16.162 4.050 ( 4.857 0.000 -0.495) 4.882 4.212 ( 10.618 0.000 2.462) 10.899 4.227 ( -3.727 -0.000 -6.358) 7.370 4.435 ( 0.769 0.000 -3.057) 3.152 4.625 ( -2.712 -0.000 -2.873) 3.951 4.826 ( -0.514 -0.000 2.786) 2.833 4.904 ( -3.162 -0.000 -2.059) 3.774 5.058 ( 0.713 0.000 -4.206) 4.266 5.116 ( -3.849 -0.000 -5.794) 6.957 5.125 ( 0.895 0.000 4.338) 4.430 5.263 ( 6.326 0.000 9.681) 11.565 5.339 ( -2.333 -0.000 -5.597) 6.064 5.546 ( 3.466 0.000 -5.225) 6.270 5.592 ( -4.226 -0.000 14.486) 15.090 5.732 ( 7.768 0.000 3.834) 8.663 5.828 ( -1.459 -0.000 3.396) 3.696 5.903 ( 6.605 0.000 2.124) 6.939 5.961 ( 8.628 0.000 -7.113) 11.182 6.044 ( 4.304 0.000 -6.909) 8.140 6.147 ( 0.605 0.000 2.278) 2.357 6.174 ( -0.484 -0.000 -1.202) 1.296 6.224 ( 1.625 0.000 -6.269) 6.476 6.419 ( -3.812 -0.000 0.442) 3.838 6.450 ( -6.473 -0.000 10.450) 12.292 6.530 ( -1.779 -0.000 5.376) 5.663 6.606 ( 5.223 0.000 -1.092) 5.336 6.666 ( 2.442 0.000 6.332) 6.787 6.823 ( 5.358 0.000 10.065) 11.402 6.851 ( 5.553 0.000 2.443) 6.066 7.057 ( -0.732 -0.000 0.361) 0.816 7.147 ( 6.110 0.000 -5.744) 8.386 7.251 ( 0.494 0.000 -2.327) 2.378 7.333 ( -1.402 -0.000 -4.089) 4.323 7.398 ( 0.244 0.000 6.491) 6.496 7.505 ( 0.318 0.000 -2.309) 2.331 7.586 ( 0.084 0.000 -4.423) 4.424 7.721 ( -0.819 -0.000 -3.265) 3.366 7.723 ( -1.299 -0.000 -2.633) 2.936 7.941 ( 1.073 0.000 0.902) 1.402 8.018 ( -0.626 -0.000 0.166) 0.647 8.067 ( 4.530 0.000 -0.748) 4.591 8.539 ( 12.217 0.000 0.050) 12.217 8.822 ( -2.091 -0.000 -0.457) 2.140 8.930 ( 4.793 0.000 -10.124) 11.201 9.633 ( 3.798 0.000 4.168) 5.639 9.736 ( 8.048 0.000 1.470) 8.181 9.789 ( 3.095 0.000 13.212) 13.569 9.791 ( -0.993 -0.000 -5.947) 6.030 10.167 ( 1.410 0.000 1.539) 2.087 10.207 ( 7.237 0.000 -3.449) 8.017 10.543 ( -5.438 -0.000 -0.231) 5.442 10.571 ( 1.677 0.000 -3.729) 4.089 10.711 ( -5.992 -0.000 -2.513) 6.498 10.806 ( 3.618 0.000 4.573) 5.831 10.920 ( -1.394 -0.000 1.325) 1.923 11.063 ( -0.295 -0.000 -1.774) 1.798 11.151 ( 6.965 0.000 3.453) 7.774 11.244 ( -3.628 -0.000 -5.251) 6.382 16.809 ( -1.053 -0.000 -1.060) 1.494 16.832 ( -1.719 -0.000 3.312) 3.731 19.601 ( -1.976 -0.000 -7.789) 8.035 20.527 ( 15.746 0.000 6.628) 17.084 21.302 ( -7.211 -0.000 4.811) 8.668 21.536 ( -6.383 -0.000 -1.505) 6.558 21.557 ( 1.068 0.000 -1.566) 1.896 21.723 ( -2.496 -0.000 1.451) 2.887 21.985 ( -5.928 -0.000 -2.996) 6.642 22.440 ( -1.437 -0.000 7.744) 7.876 22.681 ( -2.827 -0.000 -0.540) 2.878 22.708 ( -4.258 -0.000 0.516) 4.289 22.960 ( -0.887 -0.000 3.036) 3.163 23.032 ( 2.208 0.000 -10.333) 10.567 23.481 ( -0.556 -0.000 -8.557) 8.575 24.243 ( 7.793 0.000 8.056) 11.208 ======================= Grid point 152 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -18.981 -10.878 6.583) 22.846 1.193 ( -20.393 -11.177 4.915) 23.769 1.634 ( -14.911 26.263 3.916) 30.454 2.049 ( -18.869 -4.436 -6.461) 20.432 2.199 ( -2.196 1.687 11.847) 12.166 2.382 ( -19.397 -15.117 3.896) 24.899 2.788 ( -3.790 -1.366 -11.594) 12.274 2.871 ( -13.901 3.827 6.389) 15.771 3.047 ( -8.667 -2.063 9.314) 12.889 3.160 ( 2.270 -1.378 -3.043) 4.039 3.247 ( 2.365 -3.911 1.758) 4.897 3.308 ( -4.652 -3.436 -5.854) 8.229 3.488 ( -0.366 2.279 4.490) 5.048 3.607 ( -5.530 -0.790 -6.437) 8.523 3.911 ( -4.052 0.949 5.200) 6.660 3.960 ( 0.821 3.031 -8.624) 9.178 4.058 ( 0.182 1.770 -4.405) 4.751 4.236 ( 2.828 -1.705 -6.169) 6.997 4.330 ( 3.514 9.121 1.219) 9.850 4.386 ( 6.328 1.315 -1.589) 6.656 4.580 ( -0.310 -0.297 -5.509) 5.525 4.830 ( -3.237 1.781 -6.931) 7.854 4.925 ( -2.788 -8.182 5.697) 10.353 5.007 ( -3.860 -0.135 -8.929) 9.729 5.060 ( -0.005 -1.137 -7.221) 7.310 5.131 ( -1.221 -1.642 -0.824) 2.206 5.264 ( -1.900 2.932 4.595) 5.772 5.315 ( 0.603 0.326 -0.024) 0.686 5.546 ( 5.063 7.455 2.428) 9.333 5.627 ( -0.417 -0.648 2.920) 3.020 5.731 ( -4.124 6.699 6.039) 9.917 5.891 ( -1.779 5.379 2.353) 6.135 5.925 ( 0.820 3.905 -5.017) 6.410 5.972 ( 6.822 -4.356 6.087) 10.128 6.080 ( 5.413 0.129 -4.361) 6.952 6.136 ( -3.428 -2.920 -3.244) 5.550 6.250 ( -0.428 -4.004 4.348) 5.927 6.288 ( 4.374 -5.042 -5.565) 8.690 6.376 ( -2.984 0.493 6.514) 7.182 6.445 ( -3.026 -3.780 8.730) 9.983 6.519 ( -0.805 1.200 -0.126) 1.450 6.689 ( 5.170 -2.197 -0.137) 5.619 6.749 ( 3.189 5.824 4.439) 7.987 6.794 ( 3.445 1.310 7.598) 8.445 7.013 ( 3.867 -1.350 2.739) 4.927 7.046 ( -1.932 -4.959 2.344) 5.816 7.113 ( -2.218 3.937 -10.447) 11.383 7.232 ( -1.253 0.887 -3.838) 4.133 7.364 ( 2.770 -3.210 -2.422) 4.883 7.456 ( 2.420 -2.385 8.756) 9.392 7.461 ( -0.605 4.187 -1.854) 4.619 7.595 ( -1.377 -3.509 -1.983) 4.259 7.669 ( 1.802 3.226 1.789) 4.106 7.758 ( 0.249 -2.885 -3.536) 4.571 7.953 ( 0.845 -0.267 -2.418) 2.575 8.002 ( -1.471 -1.806 -3.859) 4.507 8.163 ( 7.789 -0.555 3.641) 8.616 8.671 ( 10.709 5.670 0.520) 12.128 8.762 ( -2.198 3.605 0.603) 4.265 8.847 ( -0.488 9.258 -15.226) 17.826 9.692 ( 4.384 2.141 2.865) 5.657 9.764 ( -1.311 -2.480 -3.056) 4.148 9.839 ( 7.682 3.737 0.520) 8.558 9.893 ( 2.418 -1.963 11.212) 11.637 10.119 ( -2.405 3.070 0.757) 3.972 10.219 ( 3.665 7.916 -3.262) 9.313 10.483 ( -1.057 0.682 -0.259) 1.284 10.628 ( 2.117 -8.626 -1.129) 8.953 10.648 ( -3.346 -0.276 0.335) 3.374 10.865 ( 1.713 -1.709 2.932) 3.802 10.984 ( -0.299 -3.080 2.419) 3.928 11.093 ( 2.107 -5.767 -2.019) 6.463 11.154 ( -4.998 0.733 -5.723) 7.634 11.311 ( 5.628 -8.839 1.621) 10.603 16.791 ( -0.884 0.378 -0.157) 0.975 16.836 ( -0.799 -2.100 1.550) 2.730 19.551 ( -3.444 -1.478 -3.531) 5.149 20.659 ( 4.340 6.566 6.601) 10.272 21.216 ( -7.782 -0.259 4.484) 8.985 21.540 ( 8.014 -0.259 -4.096) 9.004 21.576 ( 0.582 -2.511 -5.031) 5.653 21.722 ( -1.463 -4.414 8.193) 9.421 21.925 ( 1.264 1.283 -5.007) 5.321 22.381 ( -4.306 9.538 11.200) 15.328 22.640 ( -2.175 0.288 -0.787) 2.331 22.657 ( -2.629 -0.229 -1.035) 2.835 22.944 ( -0.661 2.341 1.184) 2.705 23.029 ( 0.230 -0.879 -6.072) 6.140 23.394 ( -4.869 2.151 -8.960) 10.422 24.393 ( 5.398 -4.118 4.412) 8.097 ======================= Grid point 161 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -25.605 -0.000 7.291) 26.623 0.818 ( -15.765 -0.000 14.097) 21.149 1.564 ( -34.647 -0.000 28.967) 45.161 1.741 ( -24.143 -0.000 -11.882) 26.908 1.870 ( 0.779 0.000 -19.287) 19.303 2.290 ( -11.736 -0.000 8.444) 14.458 2.620 ( -10.912 -0.000 -5.821) 12.367 2.787 ( -6.261 -0.000 6.981) 9.377 3.013 ( 0.572 0.000 1.752) 1.843 3.142 ( -3.162 -0.000 -9.025) 9.563 3.148 ( -2.980 -0.000 5.841) 6.557 3.318 ( 6.674 0.000 3.512) 7.541 3.527 ( -2.500 -0.000 3.456) 4.266 3.626 ( 9.981 0.000 4.190) 10.825 3.852 ( -5.240 -0.000 2.984) 6.030 4.000 ( 5.350 0.000 -14.001) 14.988 4.030 ( -2.074 -0.000 -2.654) 3.369 4.284 ( 6.662 0.000 -3.547) 7.548 4.400 ( -5.108 -0.000 2.410) 5.648 4.487 ( 6.755 0.000 -6.524) 9.391 4.575 ( 2.524 0.000 -7.888) 8.282 4.754 ( -4.064 -0.000 -10.629) 11.380 4.847 ( -4.825 -0.000 5.735) 7.495 4.963 ( -1.379 -0.000 -7.853) 7.973 4.966 ( 3.482 0.000 -16.810) 17.167 5.080 ( -4.166 -0.000 1.211) 4.338 5.291 ( -0.652 -0.000 3.072) 3.141 5.303 ( -1.439 -0.000 4.954) 5.159 5.581 ( -10.842 -0.000 14.457) 18.071 5.736 ( 9.597 0.000 -5.278) 10.952 5.755 ( -1.365 -0.000 0.335) 1.406 5.890 ( -4.298 -0.000 6.378) 7.691 5.981 ( 4.470 0.000 4.024) 6.015 6.006 ( 1.079 0.000 0.920) 1.418 6.047 ( -7.492 -0.000 -1.242) 7.594 6.084 ( 1.593 0.000 -6.856) 7.039 6.277 ( 3.655 0.000 4.015) 5.429 6.319 ( 6.613 0.000 -5.579) 8.652 6.349 ( -4.686 -0.000 4.876) 6.763 6.417 ( -1.456 -0.000 11.200) 11.294 6.532 ( 0.750 0.000 -3.440) 3.521 6.739 ( 2.748 0.000 -1.861) 3.319 6.746 ( -5.495 -0.000 -2.729) 6.135 6.927 ( 3.270 0.000 -1.372) 3.546 6.963 ( 1.015 0.000 5.529) 5.622 7.015 ( -1.485 -0.000 -1.676) 2.239 7.066 ( -0.263 -0.000 -7.152) 7.157 7.264 ( 0.409 0.000 6.817) 6.829 7.359 ( 3.200 0.000 -7.039) 7.732 7.473 ( -0.795 -0.000 -6.868) 6.914 7.516 ( -3.348 -0.000 -2.083) 3.943 7.565 ( 8.721 0.000 17.551) 19.598 7.705 ( 0.534 0.000 1.049) 1.177 7.776 ( 1.289 0.000 5.817) 5.958 7.915 ( -4.754 -0.000 -5.692) 7.416 7.965 ( 3.792 0.000 -6.458) 7.489 8.274 ( 6.830 0.000 3.938) 7.884 8.770 ( -0.513 -0.000 1.553) 1.635 8.780 ( -0.742 -0.000 -11.819) 11.842 8.899 ( 3.566 0.000 -13.755) 14.210 9.714 ( 1.551 0.000 -2.089) 2.602 9.767 ( 2.113 0.000 4.130) 4.639 9.943 ( 2.241 0.000 8.379) 8.673 9.969 ( 3.974 0.000 -1.934) 4.420 10.097 ( -1.531 -0.000 1.642) 2.245 10.378 ( 0.933 0.000 -2.048) 2.251 10.417 ( -4.597 -0.000 4.968) 6.768 10.441 ( -4.353 -0.000 0.833) 4.432 10.679 ( 3.684 0.000 -2.941) 4.714 10.904 ( 3.236 0.000 3.378) 4.678 11.029 ( -0.793 -0.000 -1.028) 1.298 11.038 ( -0.303 -0.000 1.199) 1.236 11.104 ( 2.569 0.000 -0.171) 2.575 11.313 ( 3.219 0.000 1.616) 3.602 16.792 ( 0.015 0.000 -0.341) 0.342 16.797 ( -2.026 -0.000 0.419) 2.068 19.506 ( -0.673 -0.000 7.334) 7.365 20.724 ( -4.457 -0.000 5.644) 7.192 21.129 ( -7.387 -0.000 5.633) 9.290 21.507 ( -3.617 -0.000 -7.452) 8.284 21.696 ( -0.230 -0.000 11.481) 11.483 21.713 ( 16.925 0.000 -5.227) 17.714 21.972 ( 5.997 0.000 -2.463) 6.483 22.482 ( 2.855 0.000 8.228) 8.709 22.613 ( -1.550 -0.000 -0.320) 1.582 22.620 ( -1.606 -0.000 -2.032) 2.589 22.961 ( -0.701 -0.000 2.428) 2.527 22.987 ( -2.527 -0.000 -7.780) 8.181 23.321 ( -5.053 -0.000 -5.376) 7.378 24.409 ( 0.009 0.000 -4.021) 4.021 ======================= Grid point 162 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 5.025 0.000 -17.100) 17.823 1.031 ( -5.025 -0.000 17.100) 17.823 1.164 ( -3.440 -0.000 -26.196) 26.421 1.164 ( 3.440 0.000 26.196) 26.421 2.108 ( 10.722 0.000 -31.094) 32.890 2.108 ( -10.722 -0.000 31.094) 32.890 2.168 ( -3.311 -0.000 -1.526) 3.646 2.168 ( 3.311 0.000 1.526) 3.646 3.311 ( 1.559 0.000 -0.894) 1.797 3.311 ( -1.559 -0.000 0.894) 1.797 3.564 ( -8.415 -0.000 -14.870) 17.085 3.564 ( 8.415 0.000 14.870) 17.085 3.621 ( 0.651 0.000 -6.442) 6.475 3.621 ( -0.651 -0.000 6.442) 6.475 3.733 ( -3.394 -0.000 -6.824) 7.621 3.733 ( 3.394 0.000 6.824) 7.621 4.037 ( -1.270 -0.000 -15.367) 15.420 4.037 ( 1.270 0.000 15.367) 15.420 4.436 ( -0.427 -0.000 -0.688) 0.810 4.436 ( 0.427 0.000 0.688) 0.810 4.512 ( 3.318 0.000 -1.924) 3.835 4.512 ( -3.318 -0.000 1.924) 3.835 4.816 ( 4.684 0.000 -5.145) 6.958 4.816 ( -4.684 -0.000 5.145) 6.958 4.959 ( 4.195 0.000 -4.435) 6.105 4.959 ( -4.195 -0.000 4.435) 6.105 5.438 ( -10.055 -0.000 -0.917) 10.097 5.438 ( 10.055 0.000 0.917) 10.097 5.635 ( -1.910 -0.000 -13.478) 13.612 5.635 ( 1.910 0.000 13.478) 13.612 5.749 ( 0.436 0.000 -3.324) 3.352 5.749 ( -0.436 -0.000 3.324) 3.352 5.915 ( -0.515 -0.000 -4.254) 4.285 5.915 ( 0.515 0.000 4.254) 4.285 6.103 ( -0.662 -0.000 -2.555) 2.639 6.103 ( 0.662 0.000 2.555) 2.639 6.302 ( 4.561 0.000 -4.810) 6.628 6.302 ( -4.561 -0.000 4.810) 6.628 6.419 ( 2.985 0.000 -5.836) 6.555 6.419 ( -2.985 -0.000 5.836) 6.555 6.532 ( 3.429 0.000 -7.436) 8.189 6.532 ( -3.429 -0.000 7.436) 8.189 6.840 ( -1.798 -0.000 -12.396) 12.525 6.840 ( 1.798 0.000 12.396) 12.525 7.081 ( 1.764 0.000 -5.624) 5.895 7.081 ( -1.764 -0.000 5.624) 5.895 7.194 ( -7.099 -0.000 -4.960) 8.660 7.194 ( 7.099 0.000 4.960) 8.660 7.305 ( -8.668 -0.000 -3.174) 9.231 7.305 ( 8.668 0.000 3.174) 9.231 7.482 ( 1.859 0.000 -5.930) 6.214 7.482 ( -1.859 -0.000 5.930) 6.214 7.844 ( -1.841 -0.000 -2.312) 2.955 7.844 ( 1.841 0.000 2.312) 2.955 8.102 ( -10.511 -0.000 -5.170) 11.714 8.102 ( 10.511 0.000 5.170) 11.714 8.492 ( -4.250 -0.000 -5.899) 7.270 8.492 ( 4.250 0.000 5.899) 7.270 8.728 ( 1.233 0.000 -4.617) 4.778 8.728 ( -1.233 -0.000 4.617) 4.778 9.883 ( 3.929 0.000 -6.780) 7.836 9.883 ( -3.929 -0.000 6.780) 7.836 10.048 ( 1.424 0.000 -1.316) 1.939 10.048 ( -1.424 -0.000 1.316) 1.939 10.138 ( -15.485 -0.000 2.079) 15.624 10.138 ( 15.485 0.000 -2.079) 15.624 10.543 ( 2.005 0.000 -4.600) 5.018 10.543 ( -2.005 -0.000 4.600) 5.018 10.701 ( -3.834 -0.000 -7.030) 8.008 10.701 ( 3.834 0.000 7.030) 8.008 11.072 ( 1.947 0.000 -1.500) 2.458 11.072 ( -1.947 -0.000 1.500) 2.458 11.339 ( -2.138 -0.000 -0.707) 2.252 11.339 ( 2.138 0.000 0.707) 2.252 16.776 ( -0.353 -0.000 -0.522) 0.630 16.776 ( 0.353 0.000 0.522) 0.630 20.442 ( -21.016 -0.000 -4.458) 21.484 20.442 ( 21.016 0.000 4.458) 21.484 21.194 ( 1.913 0.000 -8.643) 8.853 21.194 ( -1.913 -0.000 8.643) 8.853 21.898 ( 2.957 0.000 -2.487) 3.864 21.898 ( -2.957 -0.000 2.487) 3.864 22.334 ( -8.677 -0.000 -8.528) 12.166 22.334 ( 8.677 0.000 8.528) 12.166 22.661 ( -3.267 -0.000 -2.388) 4.047 22.661 ( 3.267 0.000 2.388) 4.047 22.902 ( -10.510 -0.000 -1.427) 10.607 22.902 ( 10.510 0.000 1.427) 10.607 23.478 ( -20.373 -0.000 -5.648) 21.142 23.478 ( 20.373 0.000 5.648) 21.142 ======================= Grid point 164 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.572 1.665 -11.812) 11.942 1.185 ( 5.199 -9.870 9.552) 14.686 1.215 ( 1.063 -20.959 -7.815) 22.394 1.344 ( 11.104 -6.304 10.532) 16.552 2.120 ( 2.728 1.066 16.423) 16.682 2.242 ( 21.186 -7.578 -36.431) 42.819 2.347 ( 14.189 -10.348 -2.585) 17.751 2.412 ( 8.968 -14.591 19.664) 26.077 3.129 ( -10.311 3.996 -6.919) 13.045 3.247 ( -9.877 2.885 0.671) 10.312 3.388 ( 0.432 4.359 -4.936) 6.600 3.546 ( -6.932 1.255 2.011) 7.326 3.617 ( -6.399 -1.081 2.976) 7.140 3.700 ( 1.591 -2.333 -11.160) 11.511 3.747 ( 4.549 -3.134 7.542) 9.349 3.862 ( 5.987 1.896 4.070) 7.484 3.996 ( 3.291 4.059 -5.393) 7.509 4.175 ( 13.969 0.854 6.343) 15.365 4.316 ( -9.144 3.395 0.097) 9.755 4.393 ( -5.567 0.754 3.455) 6.595 4.489 ( -1.941 -0.754 -0.075) 2.084 4.562 ( 1.803 -1.956 -3.046) 4.044 4.770 ( -6.665 -0.919 5.183) 8.493 4.865 ( 5.533 -0.660 -3.218) 6.435 4.995 ( 4.571 -2.602 -0.673) 5.303 5.053 ( 7.456 -3.927 -5.158) 9.880 5.328 ( -4.540 0.040 -2.167) 5.031 5.530 ( 1.137 1.183 -0.208) 1.654 5.601 ( 3.901 2.256 -7.014) 8.337 5.648 ( -6.390 7.470 4.163) 10.676 5.695 ( -3.341 0.765 3.006) 4.559 5.774 ( 5.436 -6.545 8.743) 12.200 5.899 ( -0.631 6.151 1.051) 6.272 5.916 ( 3.014 7.540 -2.205) 8.414 6.073 ( 0.135 1.904 0.021) 1.909 6.123 ( 1.653 -1.891 3.548) 4.347 6.178 ( -6.431 3.320 6.428) 9.680 6.253 ( 0.114 4.373 0.624) 4.419 6.425 ( -5.095 -4.715 2.409) 7.348 6.477 ( -0.181 -4.770 -3.257) 5.779 6.571 ( 5.760 1.046 0.875) 5.920 6.672 ( 10.706 -0.762 -2.601) 11.043 6.748 ( 0.614 2.549 -9.391) 9.750 6.839 ( 0.893 6.113 2.971) 6.855 7.014 ( -7.282 0.517 2.654) 7.768 7.105 ( -0.797 -4.059 3.053) 5.141 7.148 ( -6.906 0.037 -2.636) 7.392 7.222 ( -0.145 -6.501 -2.385) 6.926 7.298 ( 3.188 1.799 3.858) 5.319 7.399 ( 7.526 1.500 2.786) 8.164 7.487 ( 1.156 -0.169 -5.929) 6.043 7.536 ( 3.549 -3.086 5.276) 7.068 7.813 ( -5.177 -1.893 -0.480) 5.533 7.890 ( -0.127 -3.558 0.566) 3.605 7.955 ( -7.420 -0.238 -3.544) 8.226 8.244 ( 9.044 3.262 9.007) 13.174 8.305 ( -11.759 2.992 -15.418) 19.620 8.490 ( -2.153 0.004 -5.033) 5.474 8.737 ( 0.510 2.836 6.232) 6.866 8.774 ( 2.159 -0.001 1.786) 2.802 9.827 ( -5.392 0.898 5.474) 7.736 9.869 ( 0.086 2.881 -2.077) 3.553 9.911 ( -13.218 0.827 -1.538) 13.333 10.045 ( -0.013 -0.030 0.077) 0.084 10.104 ( 3.111 -0.659 -1.912) 3.710 10.326 ( 10.151 -0.159 -2.617) 10.484 10.466 ( -3.907 2.470 -6.229) 7.757 10.588 ( 1.809 -0.626 3.177) 3.709 10.681 ( -3.620 -8.795 -0.764) 9.541 10.774 ( 1.698 -0.477 7.273) 7.484 11.041 ( -2.033 0.888 1.008) 2.437 11.068 ( 0.522 1.248 -4.114) 4.331 11.276 ( -4.830 1.130 -1.744) 5.258 11.381 ( 1.474 -3.182 0.229) 3.514 16.774 ( -0.292 -0.331 0.000) 0.441 16.791 ( 0.533 -1.444 0.690) 1.687 20.074 ( -16.571 6.887 -14.720) 23.210 20.603 ( 13.437 11.745 0.253) 17.848 21.222 ( 4.564 -0.693 -6.069) 7.625 21.264 ( 4.134 -3.254 5.703) 7.759 21.743 ( -14.826 4.166 5.995) 16.526 21.911 ( -1.797 -2.794 -0.302) 3.336 22.137 ( -10.261 4.601 -4.417) 12.082 22.438 ( 4.866 2.061 9.097) 10.521 22.626 ( -1.208 -0.356 -1.248) 1.772 22.716 ( 3.246 1.726 2.042) 4.206 22.763 ( -8.110 -3.085 -5.333) 10.185 23.006 ( 3.837 -2.009 -1.235) 4.503 23.323 ( -3.758 -1.592 -9.922) 10.728 23.890 ( 22.705 -4.719 16.984) 28.745 ======================= Grid point 165 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 4.171 13.768 3.076) 14.711 1.371 ( 1.878 -11.650 -0.731) 11.823 1.500 ( 5.121 -17.590 -3.504) 18.653 1.731 ( 13.879 -16.964 4.309) 22.338 2.222 ( 4.577 -0.850 3.431) 5.783 2.549 ( 15.685 -13.145 -16.690) 26.408 2.663 ( 6.321 -8.251 -0.891) 10.432 2.823 ( 14.277 -13.471 8.051) 21.216 3.001 ( -1.618 -2.111 4.875) 5.553 3.092 ( -3.296 3.415 -2.861) 5.542 3.395 ( 5.170 0.113 -0.187) 5.175 3.465 ( -1.773 1.043 -11.610) 11.791 3.513 ( -5.515 2.361 5.307) 8.010 3.711 ( -1.990 -3.627 -3.570) 5.464 3.741 ( -4.388 1.433 -1.966) 5.018 3.940 ( 1.289 8.657 1.931) 8.963 3.970 ( 3.223 -6.061 2.042) 7.162 4.126 ( -8.547 6.836 3.997) 11.651 4.263 ( -1.666 3.759 -1.833) 4.502 4.425 ( 6.783 -3.758 5.521) 9.519 4.478 ( 0.618 -0.029 -4.858) 4.897 4.621 ( 3.717 -4.027 -1.053) 5.581 4.754 ( -1.706 -3.492 8.876) 9.690 4.964 ( 5.034 -3.278 -2.432) 6.481 5.100 ( 6.998 -0.943 -1.468) 7.212 5.175 ( 4.855 -4.820 -7.366) 10.053 5.276 ( -1.932 2.377 -1.980) 3.647 5.428 ( -7.064 9.683 0.314) 11.990 5.464 ( -5.261 4.410 -0.514) 6.884 5.598 ( 5.303 5.793 0.584) 7.876 5.689 ( -2.216 5.962 4.475) 7.777 5.749 ( 1.653 0.196 -3.419) 3.802 5.829 ( -2.648 5.584 1.827) 6.445 5.974 ( 3.834 -2.796 4.824) 6.766 6.064 ( -0.402 -1.993 4.234) 4.696 6.116 ( 0.172 0.144 2.537) 2.547 6.192 ( 0.641 4.311 6.172) 7.556 6.269 ( 4.693 -2.521 4.270) 6.828 6.428 ( -2.634 -2.968 0.311) 3.980 6.490 ( -1.678 -0.159 1.050) 1.986 6.586 ( -0.413 9.393 2.572) 9.747 6.638 ( 6.682 4.814 -4.306) 9.293 6.802 ( -0.769 -0.033 2.337) 2.461 6.851 ( 6.169 -3.938 -8.704) 11.372 6.981 ( 1.143 -0.559 1.656) 2.088 7.033 ( -6.337 0.146 0.610) 6.368 7.188 ( 4.138 -2.848 0.263) 5.030 7.268 ( -2.122 2.079 0.104) 2.973 7.309 ( -1.942 -6.127 -0.734) 6.470 7.468 ( 0.462 -0.469 -5.843) 5.880 7.524 ( 5.259 -1.676 5.113) 7.524 7.631 ( 2.395 -1.005 3.255) 4.164 7.734 ( -4.832 1.294 -0.092) 5.003 7.871 ( -4.399 -0.511 -1.057) 4.553 7.926 ( -6.391 -5.290 -3.181) 8.885 8.069 ( -7.469 1.780 -12.023) 14.266 8.314 ( 5.494 6.995 8.781) 12.499 8.424 ( -4.456 -0.818 -6.330) 7.784 8.683 ( -2.195 5.905 5.424) 8.313 8.751 ( -2.072 3.324 -2.511) 4.653 9.737 ( -8.254 3.027 0.066) 8.791 9.786 ( -5.024 -1.016 5.349) 7.409 9.822 ( -0.455 1.448 -0.865) 1.747 10.018 ( -1.218 3.573 -1.383) 4.020 10.138 ( 1.424 -0.980 -2.502) 3.041 10.286 ( -6.946 1.665 -4.215) 8.294 10.464 ( 3.897 1.016 -1.783) 4.404 10.618 ( -0.387 -1.522 5.606) 5.822 10.754 ( -1.811 -5.241 -1.650) 5.786 10.809 ( 1.377 1.610 4.093) 4.609 11.023 ( 0.694 0.073 -0.162) 0.717 11.076 ( 2.619 -3.356 -3.491) 5.505 11.222 ( -1.803 -2.028 -1.284) 3.002 11.446 ( 0.175 -4.188 0.035) 4.191 16.777 ( -0.196 -0.614 0.340) 0.729 16.836 ( 1.320 -2.342 1.716) 3.189 19.806 ( -4.800 2.959 -15.204) 16.216 20.537 ( 5.341 17.426 3.003) 18.472 21.277 ( 4.959 -1.354 -6.155) 8.019 21.398 ( 4.617 -3.948 6.679) 9.028 21.552 ( -12.347 -1.063 7.091) 14.277 21.881 ( -10.369 -2.537 0.975) 10.720 21.985 ( -1.978 1.885 -1.474) 3.104 22.491 ( 1.982 1.810 9.284) 9.665 22.627 ( 0.537 -0.935 -0.925) 1.420 22.668 ( -0.641 -0.725 -14.109) 14.142 22.760 ( 1.215 2.321 4.984) 5.631 23.062 ( 0.606 -3.071 -4.102) 5.160 23.301 ( 3.520 -0.800 -9.992) 10.624 24.215 ( 11.154 -0.811 14.952) 18.671 ======================= Grid point 166 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 5.837 21.870 4.168) 23.016 1.547 ( 2.065 -10.837 0.842) 11.064 1.744 ( 6.673 -9.589 -4.263) 12.436 2.045 ( 1.797 -6.928 2.189) 7.484 2.313 ( 5.072 -8.460 -4.224) 10.730 2.632 ( -4.789 1.031 -3.437) 5.984 2.844 ( -0.320 -10.881 6.838) 12.855 2.978 ( 4.959 4.666 5.558) 8.790 3.066 ( 4.363 -1.214 -7.030) 8.363 3.213 ( 5.224 -4.132 -6.898) 9.589 3.342 ( -3.217 0.284 0.796) 3.326 3.500 ( 3.515 -0.595 3.747) 5.172 3.535 ( 1.499 -2.419 -4.623) 5.428 3.712 ( -3.366 -5.842 -0.585) 6.767 3.763 ( 1.683 -7.819 -0.005) 7.998 3.825 ( 1.658 8.200 3.310) 8.997 3.927 ( -2.675 5.162 -0.386) 5.827 4.144 ( 4.946 -4.917 9.931) 12.135 4.225 ( 1.732 -0.660 -4.103) 4.502 4.441 ( -1.267 -0.960 -2.158) 2.680 4.597 ( 3.975 -7.447 -2.160) 8.713 4.706 ( 1.726 -0.486 0.916) 2.014 4.874 ( 6.854 -1.898 7.062) 10.023 4.968 ( -2.412 6.400 -8.962) 11.274 5.108 ( -3.061 5.298 -0.859) 6.179 5.189 ( -1.320 3.337 -4.283) 5.587 5.221 ( 0.629 -0.206 1.315) 1.472 5.327 ( 2.367 1.929 -4.098) 5.111 5.375 ( 2.015 -2.599 0.743) 3.372 5.566 ( 2.005 3.690 1.392) 4.424 5.682 ( 4.254 -0.450 0.969) 4.386 5.743 ( -2.181 1.028 1.669) 2.932 5.839 ( 0.929 -5.105 1.779) 5.485 5.979 ( -0.551 2.488 0.499) 2.597 6.105 ( -0.400 3.030 1.494) 3.402 6.144 ( 3.446 -0.475 0.346) 3.496 6.166 ( 0.348 4.563 7.670) 8.932 6.355 ( -0.846 0.365 1.751) 1.978 6.399 ( -0.243 1.324 4.688) 4.878 6.484 ( -2.830 -3.147 2.822) 5.087 6.523 ( 5.780 4.674 2.472) 7.833 6.663 ( 5.749 3.394 1.695) 6.888 6.779 ( -4.695 -0.060 0.995) 4.799 6.900 ( -0.388 -0.299 -3.396) 3.431 6.979 ( -1.387 -1.514 2.299) 3.082 7.070 ( 7.142 0.162 1.344) 7.269 7.197 ( -4.904 -0.126 -7.379) 8.861 7.255 ( 5.116 2.402 -3.024) 6.410 7.323 ( -1.684 -1.581 -1.746) 2.895 7.453 ( -0.781 -1.221 -4.893) 5.103 7.567 ( -4.607 -0.238 -1.915) 4.995 7.626 ( 0.423 -0.250 0.251) 0.552 7.738 ( -1.579 -4.446 2.961) 5.570 7.795 ( -3.239 1.400 -3.636) 5.067 7.843 ( -9.082 -1.919 1.765) 9.449 8.008 ( 1.562 0.661 -2.729) 3.213 8.252 ( -0.810 9.469 4.327) 10.443 8.370 ( -4.432 -3.072 -6.476) 8.427 8.632 ( 0.685 7.095 -0.361) 7.137 8.641 ( -3.512 0.624 4.805) 5.984 9.615 ( -4.327 3.054 1.326) 5.459 9.702 ( -5.197 3.663 1.605) 6.558 9.835 ( -0.858 -1.327 2.216) 2.722 9.930 ( -2.087 3.613 -2.522) 4.875 10.101 ( -5.557 1.073 -2.934) 6.375 10.223 ( -0.036 -2.339 -1.185) 2.622 10.467 ( 0.865 1.712 0.175) 1.926 10.639 ( -1.532 -1.344 -0.230) 2.051 10.774 ( -0.112 -1.031 -1.612) 1.917 10.813 ( 1.818 1.467 3.101) 3.883 11.042 ( 1.444 -0.456 -0.661) 1.653 11.183 ( 5.064 -4.697 -2.320) 7.286 11.262 ( -0.171 -4.331 1.868) 4.720 11.485 ( -0.915 -2.767 -0.074) 2.915 16.786 ( 0.057 -0.730 0.249) 0.774 16.885 ( 0.959 -1.664 1.517) 2.448 19.734 ( 1.013 -1.361 -9.691) 9.838 20.364 ( -0.317 15.067 4.917) 15.852 21.341 ( 4.045 -1.618 -4.402) 6.193 21.482 ( -4.608 -2.451 3.225) 6.136 21.521 ( 1.556 -3.806 4.860) 6.366 21.770 ( -6.456 0.409 3.372) 7.295 21.955 ( -3.142 -1.180 -2.076) 3.946 22.518 ( 1.691 2.083 6.461) 6.996 22.642 ( 1.315 -1.410 -10.728) 10.900 22.653 ( 1.629 -1.352 -1.638) 2.677 22.748 ( 0.093 3.196 4.436) 5.468 23.066 ( -1.402 -1.772 -5.890) 6.309 23.352 ( 4.651 -1.431 -4.090) 6.356 24.352 ( 4.428 1.076 8.173) 9.357 ======================= Grid point 167 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 2.426 12.734 1.065) 13.006 1.710 ( 4.718 -4.745 5.910) 8.927 1.882 ( 0.795 -4.903 -3.913) 6.324 2.000 ( -4.374 2.799 -4.669) 6.983 2.492 ( 1.241 -5.420 1.546) 5.771 2.592 ( 1.631 -3.087 -2.707) 4.418 2.847 ( -3.016 4.357 0.763) 5.353 3.007 ( 2.081 0.702 3.378) 4.029 3.136 ( 2.378 -1.799 2.818) 4.102 3.215 ( -2.570 -1.105 -5.800) 6.439 3.357 ( 1.166 -4.009 1.093) 4.316 3.439 ( -2.376 5.610 -3.566) 7.060 3.574 ( 1.770 -0.605 -2.188) 2.879 3.720 ( -1.641 -1.305 -0.963) 2.308 3.734 ( -2.154 0.614 4.586) 5.104 3.854 ( -1.007 0.779 1.331) 1.842 4.040 ( 7.789 -4.477 2.281) 9.269 4.270 ( 2.044 -2.259 -2.322) 3.831 4.342 ( 5.078 -6.400 9.679) 12.666 4.442 ( 0.663 -0.525 -2.363) 2.510 4.664 ( -2.726 2.806 1.802) 4.307 4.698 ( -1.443 3.516 -5.386) 6.591 4.770 ( 0.278 1.448 -5.630) 5.820 4.976 ( -0.895 -2.340 -0.623) 2.581 4.993 ( -0.255 4.115 1.793) 4.496 5.181 ( -0.678 -4.902 -4.402) 6.623 5.258 ( 2.658 2.095 2.137) 4.002 5.329 ( 3.690 0.334 -0.288) 3.716 5.486 ( 3.406 -2.017 -1.464) 4.221 5.615 ( 3.684 -3.020 1.594) 5.023 5.709 ( -4.218 0.025 2.914) 5.127 5.736 ( 1.596 -2.680 -0.185) 3.125 5.875 ( -0.305 6.497 -1.937) 6.786 5.939 ( 0.279 -0.830 -0.563) 1.041 6.010 ( -2.466 5.308 2.972) 6.564 6.159 ( 1.917 -2.219 0.117) 2.935 6.215 ( 1.411 -0.959 1.989) 2.621 6.280 ( -1.649 3.835 -0.055) 4.175 6.446 ( -1.148 -2.821 6.040) 6.764 6.484 ( -0.947 0.113 -2.583) 2.753 6.563 ( 3.125 1.674 0.444) 3.573 6.718 ( -0.187 0.625 0.238) 0.694 6.760 ( 5.511 0.065 12.983) 14.105 6.843 ( -3.179 1.267 -0.025) 3.422 6.964 ( -3.047 1.985 -8.682) 9.413 7.106 ( -3.634 -2.427 -3.213) 5.424 7.148 ( 2.659 0.667 -0.422) 2.774 7.259 ( 5.314 4.193 -0.690) 6.804 7.303 ( -2.843 -1.220 -4.243) 5.251 7.443 ( -0.504 -0.224 -1.230) 1.348 7.563 ( 0.516 -6.280 -1.390) 6.453 7.624 ( 0.703 -0.175 -2.096) 2.217 7.699 ( -4.643 5.814 1.178) 7.533 7.765 ( -6.507 -3.625 4.011) 8.460 7.782 ( 1.521 0.570 -1.671) 2.330 8.044 ( 2.725 0.323 -0.867) 2.878 8.178 ( 1.781 2.237 8.060) 8.552 8.290 ( -7.033 -0.436 -9.801) 12.071 8.541 ( 0.065 3.214 0.692) 3.288 8.671 ( 0.904 -0.252 3.742) 3.857 9.555 ( -1.349 0.885 0.818) 1.809 9.603 ( -2.566 2.253 -0.543) 3.458 9.820 ( -1.469 0.730 1.130) 1.992 9.878 ( -0.438 1.244 -0.918) 1.607 10.031 ( -2.230 -0.482 -1.400) 2.676 10.259 ( 0.755 -1.293 -0.313) 1.529 10.463 ( 0.415 0.562 0.724) 1.007 10.624 ( -1.030 -0.343 -1.345) 1.729 10.764 ( -0.085 0.741 -0.355) 0.826 10.844 ( 1.066 -0.414 1.304) 1.734 11.061 ( 0.728 -0.249 -0.408) 0.871 11.280 ( 4.064 -1.582 -3.097) 5.349 11.306 ( -1.797 -2.138 3.402) 4.402 11.497 ( -0.560 -0.921 -0.043) 1.079 16.796 ( 0.079 -0.331 0.078) 0.349 16.912 ( 0.290 -0.543 0.515) 0.802 19.756 ( 1.300 -1.840 -3.622) 4.265 20.218 ( -1.113 6.475 2.653) 7.085 21.382 ( 1.403 -0.599 -1.769) 2.336 21.488 ( 1.136 -0.657 -0.457) 1.389 21.552 ( -4.009 -2.010 2.988) 5.389 21.757 ( 2.052 0.266 2.922) 3.581 21.907 ( -3.456 -0.479 -2.093) 4.068 22.532 ( 1.059 1.029 1.776) 2.310 22.647 ( 0.459 -1.122 -3.681) 3.875 22.687 ( 1.645 -0.885 -1.413) 2.342 22.722 ( -0.746 1.892 2.982) 3.609 23.045 ( -0.915 -0.482 -2.689) 2.881 23.406 ( 1.885 -0.742 -0.977) 2.249 24.394 ( 1.168 0.623 2.506) 2.834 ======================= Grid point 173 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.447 0.000 0.018) 0.448 1.046 ( 12.744 0.000 -13.796) 18.782 1.385 ( 20.853 0.000 15.251) 25.834 1.581 ( 20.969 0.000 1.147) 21.001 2.335 ( 19.737 0.000 -32.052) 37.641 2.346 ( 11.270 0.000 11.394) 16.026 2.459 ( 14.151 0.000 7.200) 15.877 2.572 ( 16.694 0.000 13.850) 21.692 2.994 ( -3.192 -0.000 -1.827) 3.678 3.199 ( -1.806 -0.000 -9.393) 9.565 3.345 ( -2.735 -0.000 -6.983) 7.500 3.494 ( -5.134 -0.000 7.163) 8.813 3.562 ( -2.584 -0.000 -16.904) 17.101 3.678 ( 0.435 0.000 3.262) 3.291 3.800 ( 5.457 0.000 6.957) 8.842 3.843 ( -12.504 -0.000 0.455) 12.512 4.073 ( 5.341 0.000 -8.622) 10.143 4.254 ( -4.608 -0.000 10.357) 11.336 4.302 ( -4.654 -0.000 -4.497) 6.472 4.426 ( 15.559 0.000 1.856) 15.669 4.458 ( -0.439 -0.000 2.224) 2.266 4.573 ( 0.665 0.000 3.966) 4.021 4.691 ( -7.457 -0.000 6.462) 9.867 4.894 ( 1.235 0.000 -1.598) 2.019 5.059 ( 4.641 0.000 -11.776) 12.658 5.078 ( 7.950 0.000 1.180) 8.037 5.316 ( 2.390 0.000 0.577) 2.459 5.450 ( -5.538 -0.000 -6.360) 8.433 5.598 ( -9.965 -0.000 6.855) 12.095 5.677 ( 2.088 0.000 3.419) 4.006 5.798 ( 11.045 0.000 -1.781) 11.188 5.808 ( 0.985 0.000 13.293) 13.329 5.988 ( 1.607 0.000 -0.544) 1.696 6.006 ( -0.781 -0.000 -0.860) 1.162 6.064 ( -2.016 -0.000 -3.458) 4.003 6.088 ( 0.712 0.000 -0.718) 1.012 6.151 ( -5.480 -0.000 7.921) 9.631 6.279 ( -0.795 -0.000 4.132) 4.208 6.365 ( -2.316 -0.000 6.898) 7.277 6.389 ( -1.893 -0.000 -1.659) 2.517 6.683 ( 4.525 0.000 2.500) 5.170 6.755 ( 2.346 0.000 -11.016) 11.263 6.756 ( 7.776 0.000 -8.312) 11.382 6.907 ( -0.149 -0.000 1.995) 2.001 6.953 ( -3.509 -0.000 2.560) 4.344 7.020 ( -6.579 -0.000 0.580) 6.605 7.113 ( -0.321 -0.000 13.277) 13.281 7.150 ( 1.699 0.000 -9.924) 10.068 7.340 ( -1.779 -0.000 5.193) 5.489 7.454 ( 0.727 0.000 -6.155) 6.197 7.508 ( 4.057 0.000 -1.773) 4.427 7.644 ( 8.716 0.000 6.083) 10.629 7.721 ( -5.493 -0.000 -2.554) 6.058 7.829 ( -4.230 -0.000 0.204) 4.235 7.870 ( -4.916 -0.000 2.303) 5.428 8.100 ( -9.925 -0.000 -18.465) 20.963 8.402 ( -5.695 -0.000 -7.831) 9.683 8.412 ( 5.875 0.000 12.930) 14.202 8.796 ( -3.436 -0.000 6.500) 7.352 8.797 ( 2.104 0.000 -0.765) 2.239 9.687 ( -9.019 -0.000 1.912) 9.219 9.853 ( -2.559 -0.000 -3.974) 4.727 9.854 ( -4.596 -0.000 6.438) 7.910 10.080 ( 3.887 0.000 -2.478) 4.610 10.150 ( 4.567 0.000 -3.745) 5.907 10.369 ( -10.520 -0.000 -2.292) 10.767 10.462 ( 5.662 0.000 -0.610) 5.695 10.547 ( 1.900 0.000 -5.752) 6.058 10.595 ( -0.983 -0.000 3.006) 3.163 10.847 ( 3.346 0.000 9.228) 9.816 11.024 ( -1.327 -0.000 0.286) 1.357 11.052 ( -1.283 -0.000 -4.445) 4.627 11.192 ( -7.379 -0.000 -3.476) 8.157 11.341 ( -1.791 -0.000 -0.779) 1.953 16.778 ( -0.445 -0.000 0.889) 0.994 16.791 ( 2.227 0.000 0.417) 2.266 19.860 ( -9.827 -0.000 -19.208) 21.576 20.781 ( 2.235 0.000 0.080) 2.237 21.309 ( 9.466 0.000 -10.343) 14.020 21.325 ( 5.109 0.000 8.723) 10.109 21.559 ( -18.000 -0.000 9.151) 20.193 21.811 ( -6.106 -0.000 -0.549) 6.130 22.041 ( -4.884 -0.000 -7.190) 8.692 22.515 ( 1.798 0.000 8.365) 8.556 22.616 ( 0.434 0.000 -0.515) 0.674 22.671 ( 0.230 0.000 -8.800) 8.803 22.795 ( 1.430 0.000 7.588) 7.722 23.021 ( 1.983 0.000 -2.799) 3.430 23.315 ( 3.815 0.000 -3.941) 5.485 24.161 ( 12.103 0.000 14.635) 18.991 ======================= Grid point 174 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 5.461 -9.129 3.730) 11.273 1.280 ( 21.611 -2.642 -6.892) 22.837 1.676 ( 22.726 12.317 2.208) 25.943 1.871 ( 20.810 -3.122 3.701) 21.366 2.391 ( 4.590 9.654 1.556) 10.803 2.520 ( 3.216 -9.367 2.989) 10.345 2.695 ( 13.307 -1.582 -11.444) 17.622 2.897 ( 13.671 -11.549 8.613) 19.861 3.100 ( 7.533 0.298 -3.198) 8.189 3.124 ( 12.044 4.434 -4.859) 13.723 3.354 ( -2.129 -4.906 -4.553) 7.023 3.434 ( -1.309 2.398 -16.610) 16.833 3.490 ( -0.910 -1.789 8.303) 8.543 3.620 ( -7.707 0.123 -5.718) 9.597 3.692 ( -1.210 2.301 5.016) 5.650 3.955 ( 3.657 -5.273 6.556) 9.174 4.070 ( 3.570 4.755 -3.524) 6.912 4.166 ( -2.828 7.453 1.843) 8.182 4.282 ( 0.398 0.312 -0.145) 0.526 4.432 ( -7.634 3.450 -4.149) 9.348 4.489 ( 4.519 -0.872 0.034) 4.602 4.630 ( 4.154 -2.638 7.225) 8.742 4.778 ( 7.149 -3.834 11.499) 14.073 4.935 ( 0.219 -5.946 0.483) 5.970 5.125 ( 5.704 -5.195 -11.093) 13.512 5.178 ( 5.585 0.317 -0.808) 5.653 5.332 ( 1.031 3.456 -2.870) 4.609 5.365 ( -3.353 0.267 -1.262) 3.592 5.464 ( -8.535 4.381 5.678) 11.148 5.741 ( 0.587 7.154 2.846) 7.721 5.754 ( 1.860 1.329 5.232) 5.710 5.775 ( -4.785 9.222 0.792) 10.419 5.923 ( -2.832 10.176 0.676) 10.584 5.994 ( 0.416 -1.506 -0.513) 1.644 6.033 ( -0.576 -2.204 3.883) 4.502 6.111 ( 0.613 -2.373 -1.687) 2.975 6.201 ( -1.582 -10.033 1.828) 10.320 6.281 ( -2.338 -3.431 -0.194) 4.156 6.361 ( -0.171 1.897 5.596) 5.911 6.440 ( -0.384 -3.977 3.179) 5.106 6.667 ( -1.514 4.001 -0.868) 4.365 6.760 ( 2.759 0.015 -6.525) 7.085 6.771 ( -0.957 2.256 3.051) 3.913 6.877 ( -0.436 -0.110 -0.550) 0.711 6.976 ( 0.013 1.484 2.787) 3.157 7.002 ( 3.589 -2.708 -3.317) 5.588 7.164 ( 0.786 -4.351 0.776) 4.489 7.205 ( 0.964 -4.269 0.432) 4.398 7.296 ( -1.966 3.479 3.307) 5.187 7.437 ( -2.354 -2.556 -7.467) 8.236 7.554 ( 2.395 0.748 -1.001) 2.701 7.636 ( -2.412 0.271 2.856) 3.749 7.676 ( -7.034 -2.115 -6.059) 9.522 7.804 ( -1.624 3.428 -3.161) 4.938 7.860 ( 2.336 0.386 7.314) 7.688 7.970 ( -2.186 -2.985 -7.682) 8.526 8.294 ( -7.372 -1.784 -7.776) 10.863 8.488 ( 1.443 5.221 13.092) 14.169 8.682 ( -9.224 2.872 2.467) 9.970 8.789 ( 0.854 3.800 -1.792) 4.287 9.653 ( -2.035 -1.451 3.660) 4.432 9.780 ( -3.746 2.445 2.937) 5.351 9.802 ( -4.172 0.254 -0.386) 4.197 10.097 ( 3.313 5.839 -3.945) 7.787 10.165 ( -3.178 0.227 -4.323) 5.370 10.177 ( -4.393 3.847 -0.834) 5.898 10.495 ( 0.560 0.323 -0.812) 1.038 10.560 ( -4.261 -2.073 3.941) 6.163 10.689 ( 4.614 -6.818 -3.092) 8.794 10.899 ( 2.663 2.771 3.344) 5.095 11.021 ( 0.734 -1.279 -0.683) 1.625 11.042 ( 0.075 -2.208 -0.034) 2.210 11.116 ( -4.710 -5.385 -2.364) 7.535 11.341 ( -3.770 -5.730 -1.106) 6.948 16.777 ( 0.076 0.018 0.972) 0.975 16.840 ( 2.627 -1.378 0.800) 3.072 19.713 ( -2.613 -0.216 -14.990) 15.218 20.686 ( -9.633 6.878 4.492) 12.660 21.360 ( 7.330 2.955 -5.450) 9.601 21.436 ( -0.036 -1.258 6.338) 6.462 21.453 ( 1.753 -1.697 1.445) 2.835 21.743 ( -6.047 -1.754 3.594) 7.250 21.983 ( 1.626 1.995 -6.747) 7.221 22.565 ( 1.954 1.051 8.403) 8.691 22.633 ( 1.601 -0.441 -0.021) 1.660 22.643 ( 2.313 1.474 -11.250) 11.580 22.811 ( -2.517 0.515 8.289) 8.678 23.034 ( 1.314 -0.354 -4.380) 4.586 23.352 ( 5.690 1.730 -4.742) 7.607 24.311 ( 0.749 -3.094 10.037) 10.530 ======================= Grid point 175 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 8.421 16.447 8.734) 20.438 1.584 ( 22.658 -0.655 -4.810) 23.172 1.793 ( 16.151 2.605 -13.181) 21.009 2.126 ( 5.996 5.130 8.193) 11.375 2.349 ( 9.054 -0.064 -6.566) 11.185 2.608 ( -1.844 -1.031 9.055) 9.298 2.827 ( 8.328 -0.894 -1.913) 8.591 3.121 ( 7.478 1.444 -5.292) 9.274 3.176 ( 4.426 -5.400 -7.437) 10.201 3.209 ( 4.942 8.946 5.240) 11.486 3.286 ( -2.118 1.522 -2.907) 3.906 3.503 ( 6.527 -5.103 -7.031) 10.866 3.545 ( 1.472 -0.832 1.939) 2.572 3.626 ( 2.028 -7.143 3.964) 8.417 3.730 ( 5.358 0.002 3.927) 6.643 3.925 ( -3.625 5.418 2.368) 6.935 4.054 ( 6.556 7.326 -2.057) 10.044 4.173 ( 2.612 -3.301 5.351) 6.808 4.253 ( 2.456 0.631 -2.069) 3.272 4.378 ( 0.991 -4.386 -2.390) 5.093 4.584 ( 5.130 -3.080 0.454) 6.001 4.751 ( 4.096 -1.201 4.796) 6.420 4.887 ( -1.315 -2.103 4.034) 4.735 5.036 ( 3.665 2.403 -3.106) 5.372 5.099 ( -5.915 3.680 -3.431) 7.765 5.200 ( 0.032 7.305 -0.994) 7.372 5.253 ( -2.706 1.613 -1.637) 3.550 5.337 ( -1.772 0.795 1.427) 2.410 5.383 ( 7.024 -3.338 -1.713) 7.963 5.634 ( -0.636 4.471 0.726) 4.574 5.717 ( -2.007 -0.425 1.843) 2.758 5.736 ( -1.860 1.254 5.617) 6.048 5.811 ( -1.951 2.034 1.903) 3.401 5.980 ( -2.135 -0.510 -1.854) 2.873 6.078 ( -1.345 -3.021 1.714) 3.725 6.154 ( 1.114 -3.021 -0.182) 3.225 6.282 ( -3.744 -5.354 1.386) 6.679 6.312 ( 1.793 7.890 2.890) 8.592 6.338 ( -3.305 -7.968 0.791) 8.662 6.439 ( -3.831 1.298 2.580) 4.798 6.616 ( 0.900 0.610 -2.647) 2.862 6.695 ( -5.631 -0.356 -1.482) 5.834 6.811 ( 5.427 1.943 4.868) 7.544 6.883 ( -0.823 2.769 -3.291) 4.379 6.956 ( 0.340 -2.237 2.203) 3.158 7.054 ( -3.717 -2.564 -6.114) 7.601 7.148 ( -2.434 1.828 -1.109) 3.240 7.283 ( 2.193 -6.399 -7.213) 9.889 7.289 ( 0.144 0.204 6.454) 6.459 7.408 ( -3.938 -3.060 -3.640) 6.174 7.489 ( -4.149 3.961 -3.114) 6.527 7.632 ( -0.413 -1.672 -0.788) 1.894 7.655 ( -2.472 -1.457 6.748) 7.333 7.727 ( 1.431 0.110 -8.988) 9.102 7.862 ( 0.325 4.374 5.985) 7.420 8.022 ( 2.525 -2.335 0.444) 3.467 8.208 ( -6.657 -4.100 -7.449) 10.799 8.355 ( -6.646 8.667 4.486) 11.808 8.622 ( -2.253 1.198 5.988) 6.509 8.734 ( 1.318 4.876 1.512) 5.272 9.608 ( -3.333 2.707 1.776) 4.647 9.683 ( -5.521 3.535 1.020) 6.634 9.819 ( 1.220 -3.330 1.422) 3.821 9.994 ( -0.098 7.463 0.179) 7.466 10.021 ( -6.939 2.069 -3.926) 8.236 10.205 ( 3.714 -1.395 -5.350) 6.661 10.484 ( -0.035 0.678 -1.289) 1.457 10.539 ( -5.973 -3.418 2.987) 7.502 10.784 ( 3.178 -1.365 -1.018) 3.606 10.897 ( 2.108 2.715 1.436) 3.725 11.036 ( -0.981 -1.339 -0.387) 1.704 11.110 ( -2.354 -9.230 -1.313) 9.615 11.195 ( 3.069 -5.428 1.989) 6.545 11.370 ( -4.626 -7.952 -0.330) 9.206 16.786 ( 0.474 -0.272 0.996) 1.136 16.889 ( 1.897 -1.003 -0.117) 2.149 19.675 ( -0.390 -2.904 -8.101) 8.615 20.443 ( -12.598 7.815 4.445) 15.477 21.400 ( 5.363 2.223 -4.113) 7.114 21.484 ( 4.265 0.162 2.621) 5.009 21.514 ( 2.778 -1.142 0.765) 3.100 21.740 ( 0.141 -1.455 3.455) 3.752 21.963 ( 3.883 4.051 -3.816) 6.786 22.590 ( 1.215 3.234 2.594) 4.320 22.608 ( 0.348 -0.375 -6.231) 6.252 22.680 ( 3.676 -0.129 0.893) 3.785 22.787 ( -3.528 0.892 7.876) 8.676 23.035 ( 1.569 0.178 -4.912) 5.160 23.389 ( 3.829 0.418 -3.342) 5.099 24.352 ( -4.808 -3.776 5.024) 7.913 ======================= Grid point 176 (79/95) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 12.142 31.847 4.962) 34.443 1.811 ( 9.996 3.717 -7.076) 12.799 1.935 ( 15.799 -0.994 -5.594) 16.790 2.070 ( 5.102 8.146 -3.664) 10.286 2.529 ( 10.078 -1.958 3.350) 10.799 2.643 ( 6.393 2.923 3.355) 7.789 2.854 ( -2.751 4.113 2.858) 5.714 3.147 ( -3.189 -0.599 -0.688) 3.317 3.164 ( 7.188 5.068 -2.191) 9.064 3.236 ( 6.947 7.074 2.409) 10.203 3.327 ( 5.288 -6.093 0.651) 8.093 3.479 ( -2.286 6.640 -2.444) 7.436 3.599 ( 3.759 -0.042 -0.812) 3.846 3.691 ( 1.343 -0.568 -3.609) 3.892 3.794 ( 6.396 4.101 -0.161) 7.600 3.893 ( -0.402 0.962 7.530) 7.602 4.092 ( 1.514 0.574 -0.221) 1.635 4.252 ( 3.933 -4.870 0.933) 6.329 4.383 ( 5.988 -2.912 3.941) 7.737 4.446 ( 2.493 0.350 -3.510) 4.319 4.648 ( -2.282 0.676 0.757) 2.497 4.755 ( -1.600 8.558 -2.340) 9.015 4.806 ( 2.084 2.280 -2.748) 4.135 4.933 ( -0.990 -0.661 -2.266) 2.560 5.043 ( -3.178 4.350 4.852) 7.250 5.118 ( 0.438 -1.854 -1.823) 2.636 5.274 ( -1.612 -3.472 2.763) 4.721 5.367 ( 3.127 1.190 1.346) 3.607 5.465 ( -3.146 -1.853 1.737) 4.043 5.602 ( -6.123 -0.310 2.917) 6.789 5.680 ( 3.259 -0.795 -1.486) 3.669 5.743 ( -0.828 0.658 3.974) 4.112 5.846 ( 0.765 -6.960 -1.938) 7.265 5.941 ( -3.247 1.196 -2.694) 4.385 6.070 ( -2.452 5.032 -0.142) 5.599 6.159 ( -4.197 4.037 1.945) 6.139 6.212 ( 0.329 -2.644 0.312) 2.683 6.275 ( -2.997 1.662 0.439) 3.455 6.390 ( -0.941 -3.774 2.897) 4.850 6.408 ( -2.542 -3.650 -3.804) 5.853 6.602 ( -1.480 1.162 -3.376) 3.866 6.652 ( -3.065 -3.758 -3.694) 6.096 6.817 ( -2.123 2.249 -2.102) 3.739 6.839 ( -4.810 2.952 -8.326) 10.058 6.918 ( 1.714 -1.518 -1.786) 2.904 7.052 ( 0.707 -4.096 10.898) 11.663 7.129 ( -3.799 -1.713 1.081) 4.305 7.252 ( -2.513 4.539 -3.208) 6.100 7.343 ( -1.089 0.627 3.439) 3.661 7.406 ( -0.390 -9.326 -3.271) 9.891 7.462 ( 2.485 -3.215 -0.786) 4.138 7.645 ( -2.908 -0.913 4.054) 5.072 7.659 ( -0.230 -0.785 -0.709) 1.083 7.737 ( 1.841 1.239 0.547) 2.285 7.851 ( 4.964 3.081 1.209) 5.966 8.068 ( 0.329 -0.129 -1.094) 1.150 8.145 ( -5.776 -2.592 -7.180) 9.572 8.262 ( 1.472 0.542 8.078) 8.229 8.564 ( -2.526 3.890 2.403) 5.223 8.712 ( 0.147 2.794 0.682) 2.880 9.559 ( -0.607 0.705 1.516) 1.779 9.588 ( -2.448 1.537 -1.099) 3.093 9.858 ( 1.525 1.597 4.160) 4.710 9.907 ( -0.585 3.680 -3.109) 4.853 9.977 ( 0.225 -2.979 0.297) 3.002 10.245 ( 2.324 -1.694 -7.662) 8.184 10.455 ( -3.537 -1.057 -3.114) 4.829 10.541 ( -1.846 -3.102 5.220) 6.346 10.813 ( 1.816 1.786 1.157) 2.798 10.898 ( 1.881 2.882 2.003) 3.982 11.035 ( -2.592 -2.634 -1.072) 3.848 11.177 ( -4.637 -8.079 1.596) 9.451 11.284 ( 1.426 -2.643 -2.266) 3.762 11.419 ( -3.104 -7.069 1.070) 7.794 16.800 ( 0.546 -0.010 1.035) 1.170 16.915 ( 1.098 -0.231 -1.330) 1.740 19.700 ( -0.996 -4.719 -2.148) 5.279 20.213 ( -10.549 4.240 1.181) 11.430 21.416 ( 2.733 1.966 -1.395) 3.644 21.513 ( 1.883 1.018 2.179) 3.054 21.615 ( 11.288 2.133 -1.776) 11.624 21.754 ( -1.139 0.499 -2.313) 2.626 21.974 ( 7.250 4.307 1.351) 8.541 22.541 ( -0.854 1.952 -6.682) 7.013 22.610 ( -1.713 -1.093 3.482) 4.031 22.720 ( 1.553 0.823 -0.295) 1.782 22.766 ( -0.161 2.282 7.984) 8.305 23.048 ( 2.598 0.107 -1.183) 2.857 23.408 ( 0.344 -0.159 -1.934) 1.971 24.328 ( -7.777 -4.348 0.697) 8.937 ======================= Grid point 177 (80/95) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 19.066 28.728 2.502) 34.569 1.778 ( 4.769 8.540 -5.684) 11.313 1.993 ( 1.573 9.604 -2.176) 9.972 2.169 ( 16.108 3.250 0.909) 16.458 2.642 ( 8.942 10.054 0.683) 13.472 2.680 ( 4.848 4.564 7.099) 9.733 2.808 ( 0.396 -3.403 1.597) 3.780 3.049 ( -1.551 6.847 -6.816) 9.786 3.193 ( 5.986 4.116 2.292) 7.617 3.292 ( 4.393 0.555 1.376) 4.637 3.399 ( 0.671 4.211 0.694) 4.320 3.439 ( 2.293 -0.379 4.801) 5.334 3.590 ( -0.644 2.667 -2.120) 3.467 3.725 ( 5.154 0.273 -9.305) 10.640 3.819 ( 4.974 4.621 1.017) 6.865 3.893 ( -1.057 1.754 6.869) 7.168 4.033 ( -0.473 6.649 -2.194) 7.017 4.258 ( -5.939 3.436 -1.341) 6.991 4.344 ( -0.630 5.635 -9.491) 11.056 4.448 ( -1.286 1.595 1.414) 2.489 4.645 ( 1.155 -3.231 -1.291) 3.666 4.710 ( 1.625 -2.248 6.514) 7.080 4.814 ( 0.105 3.630 2.849) 4.615 4.941 ( -1.629 -1.009 -0.012) 1.916 5.021 ( 2.822 -0.224 3.367) 4.399 5.175 ( -2.055 -4.467 -0.300) 4.926 5.234 ( -7.246 0.732 -1.967) 7.544 5.282 ( -2.931 6.788 8.953) 11.611 5.444 ( -4.451 -1.130 3.243) 5.622 5.555 ( -5.896 -1.751 -5.607) 8.322 5.694 ( -7.709 -0.465 3.604) 8.523 5.768 ( 4.011 -2.998 -0.566) 5.039 5.807 ( -2.875 5.040 0.687) 5.843 5.936 ( 0.121 -6.446 -3.405) 7.291 5.994 ( 2.340 0.941 -0.028) 2.522 6.134 ( -5.807 1.256 -0.413) 5.955 6.205 ( -1.085 1.044 -4.224) 4.484 6.218 ( -1.737 -3.377 -0.339) 3.813 6.385 ( -2.642 -1.473 -7.596) 8.177 6.459 ( 0.282 -3.550 0.712) 3.631 6.547 ( -0.728 1.014 -5.544) 5.683 6.605 ( -6.569 -0.177 -8.981) 11.129 6.713 ( 0.523 -3.710 -0.473) 3.777 6.858 ( 3.461 -2.108 -1.457) 4.307 6.983 ( 1.476 -2.254 -1.672) 3.171 7.061 ( -8.506 -1.052 1.335) 8.674 7.142 ( -4.464 -2.302 8.740) 10.080 7.209 ( 4.086 0.141 7.156) 8.242 7.343 ( -0.465 0.250 5.648) 5.673 7.478 ( 3.448 -0.801 1.464) 3.831 7.556 ( -5.379 -4.422 -3.694) 7.882 7.634 ( 5.311 -3.737 -3.407) 7.334 7.699 ( 3.997 0.857 3.500) 5.382 7.762 ( 0.409 -1.655 3.965) 4.316 7.902 ( 4.743 0.973 1.280) 5.008 8.030 ( -0.381 2.600 -1.634) 3.094 8.101 ( -0.665 -2.756 -4.639) 5.437 8.405 ( 6.063 -5.865 8.827) 12.209 8.486 ( -3.200 2.689 -0.616) 4.225 8.657 ( -1.600 1.443 -5.808) 6.195 9.572 ( 2.573 -0.180 -1.587) 3.028 9.603 ( 2.626 -3.283 2.492) 4.887 9.874 ( 2.280 1.895 -2.152) 3.663 9.892 ( 3.022 0.174 4.376) 5.321 10.051 ( 3.483 -3.674 1.144) 5.191 10.253 ( 0.657 -0.643 -7.000) 7.060 10.410 ( -4.515 -2.738 -3.178) 6.163 10.589 ( -0.228 -2.431 5.840) 6.330 10.809 ( 0.981 2.274 2.315) 3.390 10.878 ( 0.899 3.697 0.893) 3.908 11.027 ( -2.657 -2.346 -1.534) 3.863 11.194 ( -6.209 -3.995 3.138) 8.023 11.291 ( -1.452 -1.257 -5.009) 5.365 11.459 ( -3.038 -4.318 1.785) 5.573 16.807 ( 0.486 0.675 1.079) 1.363 16.915 ( 0.364 0.636 -2.290) 2.404 19.733 ( -2.584 -2.999 3.592) 5.346 20.083 ( -7.485 -4.324 -3.090) 9.180 21.410 ( 0.837 3.125 2.035) 3.823 21.546 ( 5.908 2.376 -0.124) 6.369 21.663 ( 0.897 6.355 -7.437) 9.823 21.752 ( 9.027 0.171 -0.985) 9.083 22.032 ( 6.234 4.003 3.160) 8.055 22.481 ( -2.098 -0.159 -7.287) 7.585 22.618 ( -1.797 -1.846 3.983) 4.743 22.703 ( -0.843 1.579 0.412) 1.837 22.775 ( 3.260 4.055 5.919) 7.881 23.092 ( 2.770 0.108 4.602) 5.372 23.384 ( -2.783 0.683 -0.382) 2.891 24.263 ( -10.255 -5.279 -3.883) 12.170 ======================= Grid point 178 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 23.287 18.224 2.121) 29.646 1.676 ( -0.348 11.758 -0.117) 11.764 1.846 ( 0.487 12.173 -3.044) 12.558 2.213 ( 2.880 12.820 0.833) 13.166 2.517 ( 5.246 19.670 3.905) 20.729 2.779 ( 10.092 3.446 7.100) 12.811 2.905 ( -3.261 6.913 -5.599) 9.475 2.930 ( 6.270 -5.397 -1.971) 8.505 3.165 ( -0.118 12.654 3.047) 13.016 3.228 ( -6.165 11.564 -0.529) 13.115 3.382 ( 2.881 -0.201 0.986) 3.052 3.442 ( -2.070 1.510 -0.935) 2.728 3.561 ( 0.141 -0.469 -0.524) 0.718 3.680 ( -10.339 5.294 -0.166) 11.616 3.752 ( 2.208 -2.217 -5.325) 6.177 3.882 ( 4.953 5.120 4.117) 8.228 4.059 ( 10.783 3.164 2.658) 11.548 4.115 ( -1.183 4.311 -5.110) 6.790 4.257 ( 0.358 4.147 -1.403) 4.392 4.430 ( -1.946 -2.027 -1.850) 3.365 4.642 ( -7.449 8.892 0.799) 11.627 4.680 ( -6.312 -0.520 1.414) 6.489 4.764 ( -2.180 -2.084 -4.456) 5.381 4.962 ( 0.541 -3.299 5.209) 6.190 5.102 ( -2.712 -0.083 2.549) 3.723 5.121 ( 1.664 -3.997 -2.830) 5.172 5.197 ( -1.845 -5.366 8.998) 10.638 5.324 ( 1.466 -1.567 4.170) 4.690 5.365 ( -3.805 4.313 -0.236) 5.756 5.452 ( -5.175 -4.491 -3.595) 7.738 5.628 ( -3.618 -0.231 -1.576) 3.953 5.759 ( -1.590 -0.454 3.346) 3.732 5.844 ( 0.166 -0.618 1.076) 1.252 5.984 ( 3.557 -1.339 -7.579) 8.479 6.010 ( -4.261 -2.398 -2.601) 5.538 6.073 ( -1.246 -4.119 3.664) 5.652 6.164 ( 1.268 2.408 -6.680) 7.213 6.260 ( -3.705 -6.855 -0.008) 7.792 6.337 ( -2.016 -1.626 -7.119) 7.575 6.409 ( -4.756 2.038 -4.227) 6.681 6.542 ( 1.708 -1.096 -7.738) 8.000 6.562 ( -2.113 -2.092 4.456) 5.357 6.805 ( 2.117 -3.275 1.215) 4.084 6.917 ( 2.379 -1.154 -1.834) 3.218 6.957 ( -8.122 0.344 3.762) 8.957 7.013 ( 3.230 -0.881 -1.714) 3.761 7.140 ( -4.802 -4.256 2.337) 6.829 7.255 ( -1.175 0.493 6.952) 7.068 7.382 ( 3.076 1.284 4.725) 5.783 7.510 ( 0.327 0.064 -3.646) 3.661 7.565 ( 0.167 -4.147 3.897) 5.693 7.633 ( -3.164 4.906 -6.311) 8.597 7.742 ( 1.774 -1.191 -1.207) 2.454 7.845 ( 4.111 -1.575 6.697) 8.014 7.984 ( 2.543 -4.999 6.103) 8.289 8.045 ( 7.266 2.951 1.878) 8.064 8.150 ( 2.099 -3.501 -4.638) 6.178 8.423 ( -2.377 -0.737 -1.236) 2.779 8.551 ( 1.645 -4.448 -0.772) 4.805 8.657 ( 3.225 -3.427 0.232) 4.711 9.638 ( 4.919 -2.670 -1.013) 5.688 9.712 ( 4.309 -3.990 0.656) 5.909 9.875 ( 1.840 1.260 -1.235) 2.549 9.970 ( 5.511 -0.298 3.462) 6.515 10.174 ( 6.700 -2.258 2.224) 7.412 10.233 ( -0.153 -0.483 -5.177) 5.202 10.387 ( -4.532 -4.348 -0.975) 6.355 10.612 ( -2.506 -0.871 1.463) 3.030 10.810 ( 1.489 1.024 2.953) 3.462 10.851 ( 2.396 3.678 1.328) 4.586 11.014 ( -1.548 -1.336 -2.979) 3.613 11.135 ( -7.209 0.140 2.605) 7.666 11.256 ( -1.727 -0.138 -4.587) 4.903 11.461 ( -4.793 -2.790 2.889) 6.253 16.804 ( 0.626 1.298 1.004) 1.757 16.890 ( -0.490 1.657 -2.889) 3.366 19.748 ( -1.291 -1.818 8.341) 8.634 20.095 ( -6.817 -13.448 -5.483) 16.043 21.371 ( -0.735 4.923 5.330) 7.293 21.536 ( -2.372 6.389 -7.470) 10.112 21.611 ( 10.119 2.981 -4.684) 11.542 21.891 ( 11.833 0.355 -0.323) 11.843 22.031 ( -0.577 4.020 3.751) 5.529 22.437 ( -2.252 -1.793 -10.145) 10.546 22.637 ( -0.638 -1.107 2.929) 3.196 22.675 ( -0.849 0.780 0.994) 1.523 22.800 ( 6.620 5.293 6.825) 10.883 23.136 ( 1.470 1.769 6.077) 6.497 23.332 ( -3.024 0.937 5.655) 6.481 24.150 ( -13.587 -5.280 -9.848) 17.592 ======================= Grid point 179 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 19.236 10.341 2.412) 21.972 1.447 ( -9.884 13.437 4.225) 17.207 1.700 ( 6.908 14.077 -11.618) 19.516 1.931 ( -7.630 23.080 3.433) 24.549 2.358 ( 6.736 19.476 -1.303) 20.649 2.604 ( -15.886 18.948 10.715) 26.948 2.740 ( -2.181 18.119 6.899) 19.511 2.870 ( -6.664 18.382 -10.984) 22.426 3.070 ( 1.298 -1.173 7.634) 7.832 3.153 ( 11.474 -1.367 -8.989) 14.640 3.321 ( 0.158 -1.284 -1.588) 2.049 3.510 ( -1.500 -0.513 14.337) 14.424 3.518 ( 3.921 -2.284 -9.307) 10.354 3.621 ( -4.730 -8.079 -3.961) 10.166 3.853 ( 2.252 -0.568 10.894) 11.139 3.889 ( 6.227 2.897 -5.225) 8.629 3.992 ( -4.150 7.640 1.388) 8.805 4.220 ( 3.735 2.677 3.155) 5.574 4.244 ( -2.738 0.575 -7.300) 7.818 4.321 ( 0.363 -2.321 -10.123) 10.392 4.474 ( -2.628 0.119 3.668) 4.514 4.581 ( -8.299 -0.879 1.950) 8.570 4.830 ( 7.660 0.965 -4.856) 9.121 4.950 ( -3.167 2.921 4.165) 5.993 5.035 ( -4.569 0.519 3.996) 6.092 5.158 ( -7.859 2.691 0.482) 8.321 5.282 ( 5.836 -5.805 -0.692) 8.260 5.387 ( 1.169 -6.554 1.658) 6.860 5.408 ( 1.999 -8.867 1.125) 9.159 5.453 ( -5.744 -5.301 2.521) 8.213 5.656 ( 5.257 -4.799 -2.901) 7.686 5.771 ( -0.807 -0.735 4.909) 5.028 5.833 ( 2.128 2.589 1.386) 3.627 5.959 ( -1.980 4.186 -7.736) 9.016 6.024 ( -1.509 -3.127 -0.225) 3.479 6.113 ( -1.486 -3.523 -2.613) 4.631 6.142 ( 5.006 0.923 -8.643) 10.031 6.207 ( -6.108 1.435 0.206) 6.277 6.380 ( -1.703 -7.287 2.180) 7.794 6.400 ( -2.052 -10.998 -0.371) 11.194 6.550 ( 2.539 -0.007 -9.029) 9.380 6.563 ( -2.059 1.111 6.039) 6.477 6.801 ( -0.769 2.328 -2.654) 3.613 6.843 ( -7.361 3.336 7.657) 11.133 6.985 ( 4.415 -2.776 -1.005) 5.311 7.105 ( 1.102 -3.880 -3.937) 5.637 7.147 ( 2.649 -1.528 5.904) 6.648 7.251 ( -1.250 0.304 3.076) 3.334 7.377 ( -2.867 1.203 1.013) 3.270 7.453 ( -6.070 5.539 -8.272) 11.660 7.517 ( 2.950 2.283 -1.845) 4.162 7.590 ( -2.871 0.472 1.547) 3.295 7.804 ( 6.575 -1.335 0.342) 6.718 7.923 ( -0.211 -1.470 5.669) 5.860 8.042 ( 1.982 3.166 3.690) 5.250 8.140 ( -2.929 -3.558 -3.571) 5.830 8.213 ( 9.551 -2.879 3.730) 10.650 8.429 ( -2.801 -4.704 -1.318) 5.631 8.645 ( 5.323 -3.856 -1.870) 6.834 8.740 ( -0.099 -2.889 1.808) 3.410 9.743 ( 3.595 -3.972 -1.536) 5.573 9.787 ( -0.225 -2.499 0.391) 2.539 9.926 ( 8.636 -0.004 0.876) 8.680 10.051 ( 4.058 0.104 0.821) 4.141 10.172 ( 0.232 4.157 0.116) 4.165 10.303 ( -1.757 -3.394 -2.928) 4.815 10.403 ( 0.433 -3.558 5.969) 6.963 10.559 ( -4.397 -0.808 -5.000) 6.708 10.831 ( 3.136 2.371 0.357) 3.948 10.867 ( 4.016 4.115 2.039) 6.101 10.992 ( -1.751 -1.757 -3.775) 4.517 11.045 ( -6.440 -0.452 3.384) 7.289 11.255 ( 3.939 -0.845 -2.684) 4.841 11.421 ( -6.704 -1.214 3.115) 7.491 16.800 ( 0.959 1.544 0.842) 2.003 16.843 ( -1.097 2.203 -2.366) 3.414 19.861 ( 5.699 -7.214 11.299) 14.567 20.166 ( -9.960 -17.010 -6.210) 20.667 21.311 ( -1.102 5.630 7.394) 9.359 21.389 ( -2.455 6.312 -8.053) 10.522 21.711 ( 12.472 1.583 -7.538) 14.659 21.950 ( -6.868 1.470 4.234) 8.201 22.063 ( 12.077 -0.486 3.319) 12.534 22.372 ( -6.115 -2.234 -9.628) 11.622 22.639 ( 0.181 0.505 1.224) 1.337 22.671 ( -1.264 -1.243 -0.554) 1.857 22.873 ( 10.637 5.495 5.332) 13.106 23.093 ( -3.525 4.126 0.168) 5.429 23.380 ( 5.992 0.982 18.845) 19.799 23.938 ( -18.293 -2.069 -17.228) 25.214 ======================= Grid point 180 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 2.523 6.048 -12.695) 14.287 1.151 ( -2.523 6.048 12.695) 14.287 1.529 ( 7.201 24.295 -10.161) 27.301 1.529 ( -7.201 24.295 10.161) 27.301 2.214 ( 13.584 13.496 -19.355) 27.226 2.214 ( -13.584 13.496 19.355) 27.226 2.504 ( -1.849 19.246 -13.214) 23.419 2.504 ( 1.849 19.246 13.214) 23.419 3.174 ( -3.082 -4.533 -9.741) 11.177 3.174 ( 3.082 -4.533 9.741) 11.177 3.519 ( -6.048 -3.447 -10.232) 12.375 3.519 ( 6.048 -3.447 10.232) 12.375 3.623 ( -2.963 -7.214 -9.344) 12.171 3.623 ( 2.963 -7.214 9.344) 12.171 3.808 ( -2.080 9.369 -3.199) 10.116 3.808 ( 2.080 9.369 3.199) 10.116 4.010 ( -3.614 -0.292 -11.234) 11.805 4.010 ( 3.614 -0.292 11.234) 11.805 4.367 ( 0.398 -2.722 -7.899) 8.365 4.367 ( -0.398 -2.722 7.899) 8.365 4.516 ( 1.942 -2.857 -5.505) 6.499 4.516 ( -1.942 -2.857 5.505) 6.499 4.870 ( 3.954 4.503 -6.532) 8.864 4.870 ( -3.954 4.503 6.532) 8.864 5.016 ( -3.695 2.903 -2.172) 5.177 5.016 ( 3.695 2.903 2.172) 5.177 5.394 ( -2.761 -2.873 -5.131) 6.496 5.394 ( 2.761 -2.873 5.131) 6.496 5.576 ( 0.950 -11.579 -5.881) 13.022 5.576 ( -0.950 -11.579 5.881) 13.022 5.759 ( -5.510 4.978 -8.965) 11.641 5.759 ( 5.510 4.978 8.965) 11.641 5.839 ( 1.537 -2.930 -5.342) 6.284 5.839 ( -1.537 -2.930 5.342) 6.284 6.073 ( -2.755 -0.513 -2.396) 3.687 6.073 ( 2.755 -0.513 2.396) 3.687 6.185 ( 2.753 -2.882 -6.495) 7.620 6.185 ( -2.753 -2.882 6.495) 7.620 6.498 ( -0.882 -5.083 -4.338) 6.740 6.498 ( 0.882 -5.083 4.338) 6.740 6.539 ( 1.029 -0.320 -8.646) 8.713 6.539 ( -1.029 -0.320 8.646) 8.713 6.763 ( 0.258 1.116 -4.492) 4.636 6.763 ( -0.258 1.116 4.492) 4.636 7.097 ( -2.134 -2.366 -1.953) 3.737 7.097 ( 2.134 -2.366 1.953) 3.737 7.230 ( -1.847 1.844 -1.203) 2.874 7.230 ( 1.847 1.844 1.203) 2.874 7.311 ( 2.959 2.813 -3.928) 5.665 7.311 ( -2.959 2.813 3.928) 5.665 7.525 ( 0.031 2.343 -6.235) 6.661 7.525 ( -0.031 2.343 6.235) 6.661 7.903 ( 2.684 1.015 -5.377) 6.094 7.903 ( -2.684 1.015 5.377) 6.094 8.071 ( -3.587 -0.197 -10.144) 10.761 8.071 ( 3.587 -0.197 10.144) 10.761 8.419 ( -6.821 -4.901 -6.385) 10.551 8.419 ( 6.821 -4.901 6.385) 10.551 8.734 ( 0.510 -0.631 -2.728) 2.846 8.734 ( -0.510 -0.631 2.728) 2.846 9.814 ( 1.577 -3.491 -4.604) 5.989 9.814 ( -1.577 -3.491 4.604) 5.989 10.045 ( -4.263 0.077 -0.615) 4.308 10.045 ( 4.263 0.077 0.615) 4.308 10.191 ( -6.387 2.630 -2.014) 7.195 10.191 ( 6.387 2.630 2.014) 7.195 10.511 ( -1.173 -2.783 -10.264) 10.699 10.511 ( 1.173 -2.783 10.264) 10.699 10.804 ( 1.453 6.461 -5.312) 8.489 10.804 ( -1.453 6.461 5.312) 8.489 11.031 ( 1.793 -3.436 -3.243) 5.054 11.031 ( -1.793 -3.436 3.243) 5.054 11.342 ( -5.755 -0.270 0.915) 5.834 11.342 ( 5.755 -0.270 -0.915) 5.834 16.797 ( -0.439 1.504 -1.488) 2.161 16.797 ( 0.439 1.504 1.488) 2.161 20.187 ( -13.978 -15.015 -9.137) 22.458 20.187 ( 13.978 -15.015 9.137) 22.458 21.263 ( -0.074 4.918 -8.420) 9.751 21.263 ( 0.074 4.918 8.420) 9.751 21.847 ( 4.131 -1.448 -4.198) 6.065 21.847 ( -4.131 -1.448 4.198) 6.065 22.260 ( -10.600 -2.786 -6.842) 12.921 22.260 ( 10.600 -2.786 6.842) 12.921 22.656 ( -1.898 -0.364 -1.600) 2.509 22.656 ( 1.898 -0.364 1.600) 2.509 22.959 ( -8.423 3.751 -1.506) 9.343 22.959 ( 8.423 3.751 1.506) 9.343 23.590 ( -18.357 4.122 -20.947) 28.155 23.590 ( 18.357 4.122 20.947) 28.155 ======================= Grid point 184 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 18.739 0.000 -2.049) 18.850 1.572 ( 25.383 0.000 -5.037) 25.878 2.147 ( 23.116 0.000 14.441) 27.256 2.180 ( 21.067 0.000 -4.829) 21.613 2.447 ( -6.335 -0.000 -4.888) 8.001 2.473 ( 2.092 0.000 5.058) 5.474 2.824 ( 15.389 0.000 -13.452) 20.440 2.977 ( 4.506 0.000 7.359) 8.629 3.249 ( 6.179 0.000 -3.953) 7.336 3.274 ( 11.678 0.000 -8.932) 14.702 3.357 ( 2.612 0.000 -10.598) 10.915 3.371 ( 9.047 0.000 -3.712) 9.779 3.521 ( -4.455 -0.000 10.103) 11.042 3.546 ( 7.580 0.000 2.557) 8.000 3.763 ( 4.789 0.000 4.707) 6.715 3.959 ( -3.050 -0.000 5.270) 6.089 4.154 ( 7.992 0.000 -0.799) 8.032 4.240 ( -5.924 -0.000 1.231) 6.050 4.257 ( 8.481 0.000 -12.617) 15.202 4.322 ( -8.111 -0.000 2.548) 8.502 4.538 ( 4.345 0.000 3.406) 5.521 4.712 ( 4.215 0.000 11.019) 11.798 4.855 ( -2.754 -0.000 1.049) 2.947 4.947 ( 11.486 0.000 7.470) 13.702 5.145 ( 7.363 0.000 -9.849) 12.297 5.240 ( 2.054 0.000 1.050) 2.307 5.295 ( -0.451 -0.000 -4.008) 4.033 5.333 ( -10.092 -0.000 3.409) 10.653 5.469 ( 4.950 0.000 1.063) 5.063 5.773 ( -4.834 -0.000 10.057) 11.158 5.777 ( -7.957 -0.000 5.669) 9.770 5.833 ( -2.460 -0.000 -6.452) 6.905 5.860 ( -8.696 -0.000 -3.345) 9.317 5.984 ( 1.471 0.000 -2.052) 2.525 6.008 ( -7.928 -0.000 -6.221) 10.078 6.067 ( -2.757 -0.000 3.736) 4.643 6.121 ( 1.978 0.000 3.592) 4.101 6.137 ( -3.040 -0.000 2.598) 3.999 6.421 ( -1.397 -0.000 1.570) 2.102 6.438 ( 3.127 0.000 1.386) 3.420 6.615 ( -6.639 -0.000 -0.523) 6.660 6.731 ( -4.818 -0.000 -1.272) 4.983 6.787 ( 3.769 0.000 -7.272) 8.191 6.900 ( 0.272 0.000 12.059) 12.063 6.996 ( 0.916 0.000 1.095) 1.427 7.048 ( 1.914 0.000 -7.317) 7.563 7.107 ( 0.937 0.000 -8.573) 8.624 7.228 ( 0.239 0.000 4.538) 4.545 7.309 ( -4.765 -0.000 -9.350) 10.494 7.323 ( -2.668 -0.000 10.561) 10.893 7.535 ( -4.056 -0.000 -4.016) 5.708 7.561 ( -2.654 -0.000 -3.645) 4.509 7.658 ( 3.762 0.000 4.008) 5.497 7.824 ( -5.542 -0.000 -11.798) 13.035 7.907 ( 6.017 0.000 3.803) 7.118 7.949 ( 3.949 0.000 5.808) 7.024 8.147 ( -8.030 -0.000 -7.241) 10.813 8.498 ( -13.562 -0.000 5.859) 14.773 8.639 ( 1.002 0.000 11.073) 11.118 8.811 ( -0.898 -0.000 -0.165) 0.913 9.659 ( -2.126 -0.000 4.944) 5.382 9.730 ( -3.669 -0.000 -4.263) 5.624 9.755 ( -2.322 -0.000 3.163) 3.923 10.019 ( -9.412 -0.000 -3.821) 10.158 10.187 ( 3.005 0.000 -4.962) 5.801 10.209 ( -0.041 -0.000 -2.108) 2.109 10.460 ( -5.332 -0.000 6.140) 8.132 10.567 ( 2.027 0.000 -2.689) 3.367 10.671 ( 3.722 0.000 0.898) 3.829 10.910 ( -7.279 -0.000 -4.826) 8.734 10.970 ( 0.886 0.000 -2.263) 2.430 11.019 ( 0.343 0.000 2.140) 2.167 11.109 ( 5.277 0.000 6.354) 8.259 11.235 ( -4.457 -0.000 -4.048) 6.021 16.783 ( 0.370 0.000 1.301) 1.353 16.873 ( 2.955 0.000 -0.290) 2.969 19.636 ( -1.478 -0.000 -9.832) 9.943 20.545 ( -17.286 -0.000 4.879) 17.962 21.464 ( -0.101 -0.000 5.390) 5.391 21.472 ( 8.165 0.000 -9.805) 12.760 21.498 ( 8.618 0.000 1.474) 8.743 21.710 ( 0.287 0.000 4.099) 4.109 22.035 ( 7.217 0.000 -7.158) 10.165 22.602 ( -0.448 -0.000 0.127) 0.466 22.664 ( 2.832 0.000 0.847) 2.956 22.676 ( 3.590 0.000 1.281) 3.812 22.778 ( -5.404 -0.000 7.015) 8.855 23.038 ( 1.501 0.000 -4.107) 4.372 23.422 ( 4.030 0.000 -2.761) 4.885 24.270 ( -6.417 -0.000 4.991) 8.130 ======================= Grid point 185 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 20.718 2.649 3.629) 21.200 1.876 ( 21.044 0.763 -8.212) 22.603 2.156 ( 8.943 14.681 -14.486) 22.480 2.299 ( 4.786 10.698 -0.969) 11.760 2.497 ( 16.100 -0.290 6.731) 17.453 2.665 ( 9.785 -4.132 9.498) 14.249 2.944 ( 8.714 3.028 -3.589) 9.899 3.102 ( 2.891 -6.434 -0.920) 7.113 3.247 ( 1.472 2.670 -6.040) 6.766 3.281 ( 5.545 4.321 -2.311) 7.400 3.413 ( 5.405 4.590 3.691) 7.995 3.493 ( 2.721 -3.977 1.096) 4.942 3.615 ( 11.097 -1.884 -2.103) 11.451 3.708 ( 11.488 1.845 5.104) 12.705 3.843 ( 4.760 0.622 3.514) 5.949 3.909 ( -2.660 -0.153 2.444) 3.616 4.079 ( -11.093 -1.026 -1.653) 11.262 4.246 ( 8.166 6.920 -1.923) 10.875 4.322 ( 11.216 -2.521 1.311) 11.571 4.401 ( 8.505 -1.999 -3.467) 9.399 4.630 ( 3.616 -1.996 3.439) 5.375 4.787 ( -0.252 -0.604 7.817) 7.844 4.853 ( -0.681 -2.285 1.905) 3.052 5.060 ( -1.928 2.843 1.170) 3.628 5.123 ( -1.573 6.267 -6.777) 9.363 5.215 ( -1.382 1.521 -0.568) 2.132 5.286 ( 3.436 0.386 -0.241) 3.466 5.313 ( -0.999 -1.592 -0.017) 1.879 5.464 ( 1.591 6.293 -2.812) 7.074 5.628 ( -7.075 1.991 2.705) 7.832 5.689 ( -6.778 -1.349 6.382) 9.407 5.705 ( -4.274 0.622 0.303) 4.329 5.815 ( -5.557 5.050 -2.425) 7.890 5.873 ( -5.109 -6.628 -3.401) 9.033 6.020 ( -1.673 -4.163 -0.112) 4.488 6.102 ( -0.956 -4.277 0.345) 4.396 6.171 ( -0.501 -5.614 2.241) 6.065 6.200 ( -1.219 -5.780 2.066) 6.258 6.387 ( -1.838 2.678 2.862) 4.329 6.443 ( -0.657 4.982 0.700) 5.073 6.548 ( -4.099 -3.789 0.592) 5.613 6.658 ( -1.868 1.397 -3.316) 4.054 6.827 ( 1.417 -1.960 -4.308) 4.941 6.914 ( -2.047 2.522 -3.746) 4.958 6.950 ( -3.537 4.144 -6.024) 8.122 6.978 ( -1.349 -1.335 -1.090) 2.189 7.124 ( -5.296 -2.421 -4.518) 7.370 7.176 ( 1.347 -0.358 2.305) 2.694 7.308 ( -2.096 -4.768 -1.151) 5.334 7.346 ( 0.017 1.329 9.928) 10.016 7.472 ( -2.937 2.212 -3.211) 4.882 7.538 ( -3.320 -3.936 -1.786) 5.450 7.684 ( 0.097 3.102 2.467) 3.965 7.767 ( 5.006 -0.905 -1.277) 5.245 7.954 ( -0.053 3.871 2.964) 4.876 8.021 ( 1.610 -2.080 0.796) 2.748 8.051 ( -4.001 -3.325 -6.717) 8.496 8.322 ( -9.686 2.079 4.020) 10.691 8.667 ( -0.991 3.150 8.765) 9.366 8.785 ( -1.561 1.755 2.989) 3.802 9.586 ( -5.969 1.101 3.611) 7.063 9.656 ( -2.670 2.544 -2.877) 4.678 9.810 ( 3.564 -2.997 0.629) 4.699 9.900 ( -7.476 -1.451 -2.497) 8.014 10.105 ( -1.127 7.119 -2.635) 7.674 10.214 ( 0.860 -1.335 -8.681) 8.825 10.414 ( -5.537 -0.026 4.504) 7.138 10.553 ( 2.787 3.785 2.130) 5.161 10.778 ( 2.189 -5.107 1.103) 5.665 10.833 ( -9.104 -8.555 -1.385) 12.569 10.974 ( 1.930 2.789 0.316) 3.406 11.067 ( 2.365 -2.339 -0.170) 3.330 11.198 ( -4.528 -6.206 -4.072) 8.695 11.214 ( 4.580 -1.989 4.540) 6.749 16.797 ( 0.794 -0.104 1.534) 1.730 16.907 ( 2.183 -0.207 -1.638) 2.737 19.604 ( -1.662 -2.065 -3.520) 4.407 20.310 ( -16.105 2.182 1.631) 16.333 21.471 ( 2.235 1.690 0.505) 2.847 21.528 ( 4.890 -0.074 -5.339) 7.241 21.658 ( 13.126 1.715 2.341) 13.443 21.753 ( 3.367 -1.024 -0.063) 3.520 22.102 ( 8.985 4.057 -3.073) 10.326 22.582 ( -0.244 0.013 -7.330) 7.334 22.643 ( -4.814 3.582 10.751) 12.312 22.746 ( -0.007 -2.945 7.751) 8.291 22.765 ( 4.092 2.169 -0.567) 4.666 23.049 ( 2.228 -0.522 -4.166) 4.753 23.434 ( 1.463 2.008 -2.418) 3.467 24.194 ( -10.980 -4.516 1.817) 12.011 ======================= Grid point 186 (86/95) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 17.585 22.848 5.069) 29.274 1.982 ( 9.581 6.504 -4.510) 12.427 2.220 ( 19.055 1.332 -8.099) 20.747 2.243 ( 10.502 11.118 -8.590) 17.540 2.702 ( 11.821 0.705 0.855) 11.873 2.843 ( 8.038 3.929 12.768) 15.591 2.969 ( 10.592 9.602 -0.660) 14.312 3.097 ( -3.553 1.799 -0.161) 3.986 3.253 ( 2.568 -1.044 1.163) 3.006 3.356 ( 7.267 1.209 0.292) 7.373 3.456 ( 7.500 3.074 0.509) 8.121 3.511 ( -1.345 2.739 0.473) 3.087 3.654 ( -0.438 4.404 -1.391) 4.639 3.821 ( 11.593 5.855 3.300) 13.401 3.873 ( -0.191 -3.145 2.308) 3.906 3.968 ( 9.000 3.775 -0.625) 9.780 4.051 ( -0.974 -5.553 -0.676) 5.678 4.321 ( 7.804 1.955 0.733) 8.078 4.435 ( 0.157 2.757 -1.099) 2.972 4.505 ( 5.765 1.687 -4.004) 7.219 4.625 ( -3.132 1.528 -1.497) 3.792 4.782 ( -4.110 -3.424 2.416) 5.870 4.826 ( -2.422 6.927 -1.895) 7.579 4.964 ( 4.692 0.504 1.629) 4.992 5.049 ( -3.800 3.261 3.803) 6.288 5.136 ( -0.496 4.951 -2.665) 5.645 5.246 ( -0.126 1.931 1.002) 2.179 5.343 ( -7.178 -5.473 -0.639) 9.050 5.445 ( -0.321 2.479 5.012) 5.600 5.485 ( -10.540 0.660 2.787) 10.923 5.689 ( -5.102 -6.028 -1.731) 8.085 5.715 ( -2.360 -2.180 -4.406) 5.453 5.746 ( 1.605 -1.736 2.233) 3.252 5.879 ( -2.091 -3.185 -2.925) 4.804 6.026 ( -4.299 -3.935 1.203) 5.951 6.151 ( -1.272 -3.361 0.111) 3.595 6.176 ( -3.900 7.078 0.696) 8.111 6.230 ( -2.445 -4.903 2.158) 5.889 6.331 ( -0.130 -0.806 -2.440) 2.573 6.384 ( -1.226 0.430 1.729) 2.163 6.564 ( -1.222 -0.309 -4.447) 4.622 6.607 ( 0.482 3.919 -4.211) 5.773 6.736 ( -6.834 3.224 -8.603) 11.450 6.844 ( 0.979 1.410 -6.464) 6.688 6.870 ( -0.592 -3.200 -2.035) 3.838 7.041 ( -2.784 -0.994 2.717) 4.015 7.084 ( -1.796 -4.831 10.722) 11.896 7.225 ( -3.160 -1.939 -0.263) 3.717 7.302 ( -0.332 -1.076 -3.576) 3.749 7.350 ( 1.448 -2.136 4.544) 5.226 7.447 ( -1.166 -2.075 -0.395) 2.412 7.565 ( 1.002 -4.037 2.936) 5.091 7.712 ( 3.014 -0.152 5.257) 6.061 7.804 ( 1.678 4.042 -1.868) 4.758 7.936 ( 1.695 -0.196 3.460) 3.858 8.009 ( -5.544 -2.200 -4.514) 7.480 8.049 ( 0.343 -1.965 -1.847) 2.718 8.265 ( -1.892 -3.150 4.050) 5.468 8.611 ( -2.227 4.397 3.676) 6.149 8.716 ( -5.145 3.107 -1.670) 6.238 9.544 ( -2.137 -1.089 4.884) 5.441 9.604 ( 1.718 2.272 -1.202) 3.092 9.840 ( -3.748 -3.679 -4.046) 6.630 9.898 ( 2.842 -2.343 1.626) 4.026 10.025 ( 0.918 3.288 -0.470) 3.446 10.202 ( -1.123 -2.804 -9.264) 9.744 10.352 ( -4.243 -0.242 -0.855) 4.335 10.574 ( 2.878 1.511 5.412) 6.313 10.834 ( -10.174 -10.358 1.408) 14.587 10.847 ( 0.954 -1.392 2.867) 3.326 10.965 ( 2.464 3.217 0.554) 4.090 11.114 ( 1.094 -1.792 0.085) 2.101 11.216 ( -3.357 -5.315 -3.847) 7.370 11.308 ( 0.829 -4.563 1.599) 4.906 16.816 ( 0.965 0.092 1.945) 2.173 16.923 ( 1.276 0.102 -2.808) 3.085 19.616 ( -1.956 -4.095 1.377) 4.742 20.085 ( -12.849 1.860 -1.900) 13.121 21.484 ( 3.733 2.534 -1.119) 4.649 21.585 ( 6.027 0.053 -2.652) 6.585 21.740 ( 1.387 1.816 0.520) 2.344 21.856 ( 14.715 4.268 -3.156) 15.643 22.150 ( 7.347 5.333 1.759) 9.247 22.522 ( -3.139 2.412 -4.422) 5.935 22.592 ( -2.971 -0.141 7.392) 7.968 22.766 ( 2.185 3.363 0.091) 4.012 22.823 ( 3.053 -0.635 6.017) 6.777 23.086 ( 3.393 -0.747 -1.210) 3.679 23.403 ( -1.131 1.529 -2.263) 2.956 24.100 ( -14.154 -6.730 -0.835) 15.695 ======================= Grid point 187 (87/95) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 23.282 28.950 3.704) 37.335 1.986 ( 6.617 10.912 4.046) 13.387 2.168 ( 5.618 12.366 -9.273) 16.446 2.436 ( 15.879 4.129 -3.421) 16.760 2.796 ( 1.499 -0.021 2.178) 2.645 2.843 ( 6.095 7.225 3.730) 10.162 2.970 ( 7.236 9.708 -0.164) 12.109 3.109 ( 5.711 7.134 5.910) 10.883 3.309 ( 3.826 1.837 -1.301) 4.439 3.360 ( 4.665 0.519 1.422) 4.904 3.479 ( 1.497 4.550 -3.993) 6.236 3.542 ( 5.191 2.864 6.577) 8.854 3.560 ( -3.626 0.494 -4.702) 5.958 3.857 ( 3.636 8.703 2.210) 9.687 3.935 ( 4.543 9.309 2.176) 10.585 3.999 ( 6.370 3.684 -1.982) 7.620 4.098 ( 0.204 -1.437 -0.437) 1.516 4.222 ( -0.374 3.214 -6.315) 7.095 4.398 ( 1.677 5.231 -4.397) 7.037 4.471 ( -2.251 5.670 -0.767) 6.148 4.597 ( -1.002 -1.930 -3.377) 4.017 4.682 ( -9.965 1.033 4.029) 10.798 4.827 ( 1.590 -3.406 2.697) 4.626 4.929 ( -6.233 5.041 0.132) 8.017 5.083 ( 0.474 -1.549 4.141) 4.447 5.120 ( -2.868 3.387 -1.470) 4.675 5.140 ( -0.028 -1.334 0.542) 1.440 5.340 ( -5.772 -0.456 1.681) 6.030 5.375 ( -5.870 1.513 4.161) 7.352 5.401 ( -0.821 -3.998 -1.926) 4.513 5.597 ( -7.000 0.991 1.634) 7.256 5.756 ( -5.275 -3.161 6.341) 8.834 5.788 ( -2.828 -2.732 -9.097) 9.910 5.837 ( 0.588 -1.491 -0.907) 1.841 6.025 ( -5.142 -3.792 5.118) 8.186 6.088 ( 0.052 5.244 -1.875) 5.569 6.132 ( -0.152 0.257 1.194) 1.231 6.242 ( 2.232 1.020 -4.973) 5.546 6.339 ( -0.034 -0.700 -4.534) 4.588 6.420 ( 0.113 -3.982 2.321) 4.610 6.472 ( -3.489 -0.580 -10.331) 10.920 6.535 ( -3.145 1.497 -3.754) 5.121 6.688 ( 1.953 -1.767 -0.072) 2.635 6.873 ( 3.829 -2.349 -3.087) 5.451 6.920 ( -1.608 -5.056 0.259) 5.312 6.978 ( -4.073 0.942 2.093) 4.675 7.114 ( -4.660 2.535 6.433) 8.338 7.243 ( 1.665 -4.400 4.346) 6.405 7.330 ( -5.208 -7.611 -1.789) 9.394 7.426 ( 2.780 1.167 6.895) 7.525 7.491 ( 3.255 -4.710 -2.000) 6.064 7.673 ( 4.804 -0.829 -1.972) 5.258 7.748 ( 0.011 0.894 2.880) 3.016 7.805 ( 4.358 -1.104 4.110) 6.091 7.900 ( -3.579 -0.126 0.470) 3.612 8.000 ( -1.294 -4.069 0.970) 4.378 8.128 ( 6.999 -1.776 -0.670) 7.251 8.325 ( -3.051 -6.790 -0.705) 7.478 8.537 ( -2.283 4.129 1.194) 4.867 8.595 ( -4.524 -1.506 -5.525) 7.298 9.585 ( 2.114 -2.345 3.157) 4.464 9.640 ( 4.441 -0.464 2.609) 5.171 9.847 ( -1.129 -3.946 -3.736) 5.550 9.964 ( 2.550 -1.285 1.400) 3.180 10.044 ( 1.890 -3.917 -1.964) 4.772 10.208 ( 0.282 -3.471 -3.925) 5.247 10.306 ( -2.814 -0.797 -2.555) 3.883 10.605 ( -0.725 0.036 4.138) 4.202 10.835 ( -2.305 -3.259 0.097) 3.993 10.876 ( -2.998 -3.111 6.894) 8.136 10.954 ( 0.882 2.704 0.428) 2.876 11.150 ( 1.677 0.004 0.212) 1.691 11.196 ( -4.802 -3.669 -6.234) 8.683 11.354 ( -3.413 -4.149 1.458) 5.567 16.833 ( 0.975 0.723 2.446) 2.731 16.918 ( 0.377 0.600 -3.563) 3.633 19.660 ( -1.814 -4.714 4.485) 6.755 19.917 ( -9.108 -1.253 -4.369) 10.179 21.490 ( 2.881 3.824 1.688) 5.076 21.656 ( 3.775 0.593 -6.378) 7.436 21.705 ( 4.521 5.167 -1.836) 7.107 21.970 ( 12.951 5.631 -1.181) 14.171 22.149 ( -0.469 5.083 5.683) 7.639 22.437 ( -2.253 2.005 -5.905) 6.631 22.609 ( 0.903 -0.692 4.386) 4.531 22.733 ( 0.074 3.696 0.175) 3.701 22.910 ( 8.030 1.293 4.614) 9.351 23.142 ( 2.232 -0.687 4.938) 5.463 23.353 ( -2.404 1.016 -1.696) 3.113 23.977 ( -16.531 -7.511 -4.389) 18.680 ======================= Grid point 188 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 22.964 27.716 5.473) 36.407 1.864 ( -0.392 17.415 2.454) 17.592 2.041 ( 7.109 13.046 -7.724) 16.745 2.369 ( -7.846 13.940 0.031) 15.996 2.796 ( 3.248 5.558 6.538) 9.175 2.900 ( 1.232 1.975 -6.615) 7.012 2.986 ( 10.857 2.245 4.527) 11.976 3.098 ( 10.894 9.311 3.458) 14.743 3.293 ( 0.508 10.564 -2.592) 10.889 3.328 ( -5.045 8.388 -3.464) 10.383 3.384 ( -2.784 3.192 -0.696) 4.292 3.525 ( -3.324 3.035 -2.640) 5.218 3.550 ( 5.290 7.524 6.019) 10.992 3.702 ( -4.967 12.777 2.236) 13.889 3.843 ( 7.442 6.361 -0.081) 9.790 3.998 ( 6.976 3.015 0.836) 7.646 4.181 ( 4.331 -0.135 -2.769) 5.142 4.206 ( -2.360 2.760 0.006) 3.631 4.310 ( -0.847 4.700 -2.877) 5.575 4.381 ( 3.646 4.920 -8.629) 10.581 4.504 ( -14.832 -2.292 -0.333) 15.011 4.616 ( -13.097 8.262 3.969) 15.986 4.732 ( 6.661 -7.574 -2.328) 10.351 4.913 ( -2.552 -4.699 1.426) 5.534 5.059 ( -4.523 0.290 5.145) 6.856 5.109 ( -2.091 0.723 2.018) 2.994 5.174 ( 3.869 -2.587 -2.527) 5.296 5.294 ( -4.293 1.436 0.649) 4.573 5.348 ( -0.226 -1.147 4.408) 4.561 5.419 ( 4.120 0.587 0.429) 4.184 5.555 ( -2.922 -3.281 -4.109) 6.015 5.694 ( -8.883 -2.824 4.439) 10.324 5.798 ( 2.660 -7.009 0.819) 7.541 5.925 ( 0.557 -6.319 -5.350) 8.298 5.985 ( -1.547 3.565 -0.834) 3.975 6.030 ( -3.705 -2.931 2.478) 5.335 6.172 ( 3.609 0.939 2.882) 4.712 6.239 ( 2.611 2.775 -1.889) 4.253 6.292 ( -1.430 1.496 -4.902) 5.321 6.362 ( -5.677 4.016 -4.778) 8.437 6.490 ( 2.400 -3.942 -5.591) 7.250 6.535 ( -1.675 -4.503 3.180) 5.762 6.784 ( 3.080 -4.970 1.749) 6.103 6.889 ( -3.889 0.258 0.153) 3.901 6.933 ( 0.602 0.260 -0.076) 0.661 6.979 ( -1.370 -4.106 -1.714) 4.656 7.087 ( 1.458 -2.053 5.332) 5.897 7.271 ( -3.459 0.091 1.637) 3.827 7.358 ( -2.454 -5.898 0.124) 6.390 7.459 ( -0.034 1.166 -0.711) 1.366 7.568 ( 1.712 -1.072 2.004) 2.845 7.637 ( -0.853 3.248 -5.570) 6.504 7.770 ( 3.375 -1.145 2.347) 4.268 7.869 ( -1.461 -1.605 2.412) 3.245 8.006 ( 7.724 -5.338 7.573) 12.062 8.076 ( 1.581 -2.947 7.756) 8.447 8.192 ( 2.830 0.519 -9.283) 9.719 8.297 ( -7.070 -4.437 -6.437) 10.540 8.533 ( 2.965 -4.676 0.448) 5.555 8.624 ( -0.554 -5.558 0.990) 5.673 9.667 ( 4.035 -2.046 1.417) 4.741 9.725 ( 2.322 -2.274 1.341) 3.516 9.881 ( 1.484 -3.339 0.715) 3.723 10.008 ( -0.973 -4.228 -3.796) 5.764 10.142 ( 3.183 -5.743 -2.717) 7.106 10.269 ( -4.965 -3.683 0.882) 6.244 10.296 ( 8.537 0.111 1.891) 8.745 10.561 ( -6.412 -0.162 -1.722) 6.641 10.852 ( 1.244 0.862 3.602) 3.907 10.919 ( -3.277 -4.012 1.316) 5.345 10.931 ( 2.667 1.790 4.761) 5.743 11.097 ( -3.220 2.874 -6.021) 7.408 11.209 ( 2.004 -2.959 -3.783) 5.204 11.339 ( -6.980 -3.505 3.508) 8.562 16.842 ( 1.038 1.435 2.728) 3.252 16.891 ( -0.558 1.371 -3.708) 3.993 19.722 ( -0.041 -4.358 6.604) 7.913 19.851 ( -5.933 -6.802 -5.902) 10.785 21.471 ( 1.506 5.845 5.651) 8.268 21.565 ( -1.716 6.264 -7.587) 9.987 21.780 ( 11.725 3.020 -5.926) 13.480 22.013 ( -4.894 3.135 5.661) 8.113 22.108 ( 7.588 4.282 4.098) 9.629 22.349 ( -4.509 1.129 -7.926) 9.188 22.643 ( 1.454 0.212 1.469) 2.078 22.685 ( -1.124 2.267 0.190) 2.538 23.024 ( 11.436 5.031 1.382) 12.570 23.181 ( -1.017 1.652 3.897) 4.354 23.350 ( 3.723 -2.245 9.017) 10.011 23.811 ( -18.094 -6.872 -10.051) 21.809 ======================= Grid point 189 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -7.995 21.497 -8.326) 24.400 1.523 ( 7.995 21.497 8.326) 24.400 2.004 ( 9.400 14.117 -5.696) 17.891 2.004 ( -9.400 14.117 5.696) 17.891 2.737 ( -5.784 17.377 -3.715) 18.687 2.737 ( 5.784 17.377 3.715) 18.687 3.027 ( -2.466 16.775 -7.900) 18.705 3.027 ( 2.466 16.775 7.900) 18.705 3.140 ( -7.786 4.478 -5.069) 10.314 3.140 ( 7.786 4.478 5.069) 10.314 3.407 ( -10.628 -2.708 -2.934) 11.353 3.407 ( 10.628 -2.708 2.934) 11.353 3.530 ( 4.040 3.312 -14.645) 15.549 3.530 ( -4.040 3.312 14.645) 15.549 4.014 ( -11.495 2.487 -10.682) 15.887 4.014 ( 11.495 2.487 10.682) 15.887 4.051 ( 4.874 6.405 -10.412) 13.160 4.051 ( -4.874 6.405 10.412) 13.160 4.333 ( 2.802 0.251 -9.829) 10.223 4.333 ( -2.802 0.251 9.829) 10.223 4.454 ( 6.587 -0.567 -9.372) 11.469 4.454 ( -6.587 -0.567 9.372) 11.469 4.913 ( 2.494 -2.617 -3.823) 5.261 4.913 ( -2.494 -2.617 3.823) 5.261 5.057 ( -4.397 -0.725 -3.435) 5.626 5.057 ( 4.397 -0.725 3.435) 5.626 5.263 ( -2.153 -5.565 0.293) 5.974 5.263 ( 2.153 -5.565 -0.293) 5.974 5.393 ( -3.474 0.818 -0.957) 3.696 5.393 ( 3.474 0.818 0.957) 3.696 5.658 ( 7.407 -6.212 -3.422) 10.255 5.658 ( -7.407 -6.212 3.422) 10.255 5.947 ( -0.249 -0.797 -2.807) 2.929 5.947 ( 0.249 -0.797 2.807) 2.929 5.992 ( 5.781 -3.015 -4.650) 8.008 5.992 ( -5.781 -3.015 4.650) 8.008 6.197 ( 0.378 3.546 -6.551) 7.459 6.197 ( -0.378 3.546 6.551) 7.459 6.284 ( 1.391 -4.066 -4.323) 6.095 6.284 ( -1.391 -4.066 4.323) 6.095 6.552 ( 3.371 -1.554 -10.091) 10.752 6.552 ( -3.371 -1.554 10.091) 10.752 6.833 ( 2.640 2.145 -5.340) 6.331 6.833 ( -2.640 2.145 5.340) 6.331 6.989 ( -3.182 -4.787 -1.464) 5.932 6.989 ( 3.182 -4.787 1.464) 5.932 7.215 ( -5.946 -2.337 -3.271) 7.177 7.215 ( 5.946 -2.337 3.271) 7.177 7.392 ( -2.641 1.414 -6.503) 7.160 7.392 ( 2.641 1.414 6.503) 7.160 7.585 ( 1.192 1.999 -3.320) 4.055 7.585 ( -1.192 1.999 3.320) 4.055 7.859 ( -3.143 -2.438 -1.001) 4.102 7.859 ( 3.143 -2.438 1.001) 4.102 8.106 ( 1.901 1.504 -7.133) 7.534 8.106 ( -1.901 1.504 7.133) 7.534 8.268 ( -6.206 -6.562 -3.308) 9.619 8.268 ( 6.206 -6.562 3.308) 9.619 8.665 ( -1.840 -4.765 -2.253) 5.583 8.665 ( 1.840 -4.765 2.253) 5.583 9.743 ( -2.445 -2.030 -0.179) 3.183 9.743 ( 2.445 -2.030 0.179) 3.183 10.004 ( -5.508 -4.138 -5.088) 8.564 10.004 ( 5.508 -4.138 5.088) 8.564 10.229 ( -1.611 -0.402 -0.619) 1.772 10.229 ( 1.611 -0.402 0.619) 1.772 10.450 ( -7.840 -1.444 -5.126) 9.477 10.450 ( 7.840 -1.444 5.126) 9.477 10.896 ( -2.714 -1.684 -3.921) 5.058 10.896 ( 2.714 -1.684 3.921) 5.058 10.985 ( -3.403 2.782 -5.930) 7.382 10.985 ( 3.403 2.782 5.930) 7.382 11.296 ( 7.692 -3.101 -4.929) 9.648 11.296 ( -7.692 -3.101 4.929) 9.648 16.845 ( -0.888 1.905 -3.053) 3.707 16.845 ( 0.888 1.905 3.053) 3.707 19.861 ( -4.774 -9.058 -8.371) 13.226 19.861 ( 4.774 -9.058 8.371) 13.226 21.427 ( -0.976 7.133 -8.148) 10.873 21.427 ( 0.976 7.133 8.148) 10.873 21.873 ( 10.609 2.819 -7.904) 13.527 21.873 ( -10.609 2.819 7.904) 13.527 22.223 ( -8.850 0.171 -6.577) 11.027 22.223 ( 8.850 0.171 6.577) 11.027 22.654 ( -0.469 0.517 -0.834) 1.087 22.654 ( 0.469 0.517 0.834) 1.088 23.080 ( -6.763 5.106 -0.965) 8.529 23.080 ( 6.763 5.106 0.965) 8.529 23.594 ( -14.841 -3.516 -18.897) 24.284 23.594 ( 14.841 -3.516 18.897) 24.284 ======================= Grid point 195 (90/95) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 25.780 0.000 6.472) 26.580 2.130 ( 19.047 0.000 -12.251) 22.647 2.182 ( 2.477 0.000 -8.723) 9.068 2.515 ( 7.815 0.000 -3.778) 8.680 2.714 ( 12.176 0.000 5.802) 13.487 2.829 ( 14.622 0.000 0.019) 14.622 3.098 ( 3.219 0.000 2.581) 4.126 3.152 ( 10.763 0.000 1.266) 10.837 3.271 ( 6.275 0.000 2.106) 6.619 3.349 ( 5.921 0.000 -1.352) 6.073 3.509 ( -2.106 -0.000 14.137) 14.293 3.577 ( 6.174 0.000 -5.181) 8.060 3.771 ( 17.369 0.000 -4.943) 18.059 3.785 ( -10.688 -0.000 -4.939) 11.774 3.831 ( -3.118 -0.000 2.487) 3.988 3.915 ( 7.789 0.000 3.726) 8.635 4.042 ( 4.964 0.000 7.030) 8.606 4.407 ( 8.901 0.000 -1.869) 9.095 4.450 ( 7.709 0.000 4.491) 8.922 4.505 ( 7.452 0.000 -6.855) 10.125 4.619 ( -1.153 -0.000 -2.807) 3.035 4.792 ( -4.316 -0.000 9.969) 10.863 4.888 ( 5.117 0.000 5.290) 7.360 5.037 ( -8.279 -0.000 -0.663) 8.305 5.067 ( -2.882 -0.000 -5.962) 6.622 5.222 ( -2.188 -0.000 -4.492) 4.997 5.299 ( 2.094 0.000 -12.102) 12.282 5.338 ( -0.502 -0.000 5.127) 5.152 5.452 ( -7.846 -0.000 -5.998) 9.875 5.524 ( -10.057 -0.000 6.748) 12.111 5.538 ( -9.536 -0.000 6.174) 11.360 5.697 ( 1.797 0.000 -2.676) 3.224 5.763 ( -1.327 -0.000 -1.248) 1.822 5.767 ( -3.073 -0.000 -3.353) 4.548 5.928 ( -4.069 -0.000 -2.116) 4.587 6.088 ( 0.410 0.000 3.727) 3.750 6.127 ( -1.700 -0.000 1.626) 2.353 6.188 ( 0.839 0.000 1.827) 2.011 6.417 ( -0.713 -0.000 9.333) 9.360 6.434 ( -4.956 -0.000 -2.993) 5.790 6.546 ( 4.764 0.000 2.725) 5.488 6.614 ( -0.694 -0.000 -3.052) 3.130 6.803 ( -4.388 -0.000 -6.936) 8.207 6.875 ( -5.594 -0.000 5.199) 7.637 6.922 ( 4.811 0.000 -12.588) 13.476 6.924 ( -2.341 -0.000 -12.025) 12.251 7.045 ( -2.648 -0.000 0.624) 2.721 7.211 ( -2.889 -0.000 8.659) 9.128 7.237 ( 1.301 0.000 -1.569) 2.038 7.369 ( -4.280 -0.000 -0.931) 4.380 7.459 ( -2.838 -0.000 2.235) 3.613 7.470 ( 1.718 0.000 5.026) 5.311 7.723 ( 1.466 0.000 3.598) 3.885 7.842 ( 6.049 0.000 4.336) 7.443 7.908 ( -6.081 -0.000 -2.814) 6.701 7.982 ( -3.361 -0.000 0.265) 3.372 8.035 ( 0.699 0.000 -4.084) 4.144 8.228 ( -6.284 -0.000 2.610) 6.804 8.668 ( -6.921 -0.000 4.804) 8.425 8.773 ( -3.660 -0.000 2.347) 4.348 9.532 ( -3.953 -0.000 5.779) 7.002 9.654 ( 0.773 0.000 -2.064) 2.204 9.776 ( -6.056 -0.000 -5.037) 7.877 9.845 ( 3.705 0.000 -0.578) 3.750 10.097 ( -4.866 -0.000 -5.246) 7.155 10.141 ( -2.636 -0.000 -4.773) 5.452 10.393 ( -3.243 -0.000 3.857) 5.039 10.622 ( -10.299 -0.000 0.179) 10.301 10.647 ( 3.677 0.000 1.995) 4.183 10.784 ( 3.754 0.000 3.911) 5.421 11.059 ( 3.433 0.000 0.789) 3.522 11.062 ( 1.240 0.000 -0.203) 1.256 11.086 ( -1.723 -0.000 -6.276) 6.508 11.272 ( 2.605 0.000 3.422) 4.301 16.816 ( 1.118 0.000 2.003) 2.295 16.924 ( 1.607 0.000 -2.853) 3.275 19.561 ( -1.872 -0.000 1.684) 2.518 20.114 ( -14.288 -0.000 -2.208) 14.458 21.532 ( 4.680 0.000 0.984) 4.783 21.565 ( 4.670 0.000 -7.456) 8.798 21.778 ( 2.639 0.000 -0.606) 2.708 21.899 ( 16.637 0.000 2.244) 16.788 22.248 ( 9.030 0.000 -1.702) 9.189 22.547 ( -1.132 -0.000 -6.695) 6.790 22.604 ( -9.685 -0.000 16.973) 19.542 22.770 ( 4.458 0.000 0.853) 4.539 22.868 ( 5.521 0.000 2.351) 6.001 23.051 ( 1.873 0.000 -4.645) 5.008 23.445 ( -0.891 -0.000 -2.225) 2.397 23.987 ( -14.988 -0.000 -0.033) 14.988 ======================= Grid point 196 (91/95) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 13.453 10.288 2.665) 17.144 2.238 ( 17.107 9.346 4.085) 19.917 2.339 ( 11.209 -1.374 -7.057) 13.316 2.574 ( 15.348 6.531 -8.194) 18.584 2.834 ( 7.752 3.656 -1.676) 8.734 3.029 ( 10.645 -1.197 5.968) 12.262 3.110 ( 0.069 6.156 -0.862) 6.216 3.246 ( 7.859 -4.504 0.123) 9.059 3.325 ( 9.014 9.395 3.135) 13.392 3.481 ( -4.753 6.805 3.889) 9.166 3.535 ( 8.054 -1.762 5.591) 9.961 3.566 ( 6.614 2.671 3.208) 7.822 3.604 ( -10.896 0.544 -3.489) 11.454 3.896 ( 1.273 -10.362 -0.581) 10.456 3.946 ( 10.202 2.092 1.044) 10.466 4.053 ( 7.991 -1.924 -0.952) 8.275 4.132 ( 6.240 2.784 6.270) 9.274 4.369 ( -12.504 6.112 -6.986) 15.573 4.491 ( 6.471 2.648 -1.375) 7.126 4.562 ( 3.635 -0.804 -3.459) 5.082 4.647 ( 3.693 3.086 -1.904) 5.176 4.693 ( -8.682 3.357 3.264) 9.864 4.850 ( -2.775 -0.782 -0.705) 2.968 4.981 ( -4.584 1.862 -1.160) 5.082 5.104 ( -12.186 -2.203 -2.367) 12.608 5.132 ( 2.117 1.817 1.043) 2.979 5.161 ( -1.529 2.725 3.886) 4.986 5.268 ( -1.541 1.804 -7.579) 7.941 5.395 ( -0.860 0.028 1.067) 1.371 5.448 ( -7.590 -0.786 3.178) 8.266 5.568 ( 2.275 -4.010 3.382) 5.718 5.654 ( -1.219 2.400 -1.015) 2.877 5.737 ( -1.744 -0.697 -4.151) 4.557 5.801 ( 1.516 -4.531 -5.956) 7.636 5.907 ( -6.584 -4.115 5.660) 9.608 6.113 ( 1.424 -3.041 2.130) 3.977 6.131 ( -5.011 -2.582 -0.082) 5.638 6.211 ( 1.826 -2.297 -1.389) 3.246 6.354 ( -2.821 0.244 -4.562) 5.370 6.389 ( 1.043 7.726 5.376) 9.470 6.556 ( -1.946 4.160 -2.846) 5.403 6.657 ( 1.237 1.749 1.719) 2.747 6.700 ( -0.923 1.048 -2.908) 3.226 6.802 ( -3.150 -0.021 -1.563) 3.517 6.863 ( 0.752 0.533 -5.088) 5.171 6.983 ( -3.350 -4.051 0.095) 5.257 7.034 ( 3.410 -1.857 -4.078) 5.631 7.215 ( -0.223 2.258 6.332) 6.727 7.262 ( -2.923 -0.024 -3.446) 4.519 7.317 ( 1.501 -6.419 -0.056) 6.592 7.454 ( 2.255 1.109 8.035) 8.418 7.577 ( 4.145 -4.528 7.310) 9.546 7.767 ( 1.658 -0.646 5.501) 5.782 7.816 ( -3.821 1.350 -2.837) 4.947 7.904 ( -3.063 -1.468 -1.088) 3.566 7.932 ( -2.177 0.303 -0.007) 2.198 8.059 ( 4.819 -1.928 2.330) 5.689 8.187 ( -4.042 -2.992 -0.031) 5.029 8.553 ( -9.602 -0.883 -1.813) 9.812 8.665 ( -8.646 3.326 -3.723) 9.984 9.537 ( -0.221 -0.949 7.964) 8.023 9.666 ( 3.257 1.486 1.231) 3.786 9.719 ( -3.113 -3.826 -5.922) 7.707 9.898 ( 1.758 -2.436 -0.907) 3.138 10.013 ( -2.873 -0.071 -7.230) 7.781 10.109 ( -3.318 -2.536 0.354) 4.192 10.333 ( -1.601 2.316 -2.497) 3.763 10.548 ( -10.129 -6.338 3.395) 12.421 10.698 ( 4.640 0.704 4.886) 6.775 10.871 ( 3.301 -1.641 3.268) 4.927 11.040 ( -2.156 -2.170 -5.645) 6.421 11.054 ( 1.617 2.958 1.401) 3.650 11.152 ( 2.573 -2.898 -1.084) 4.025 11.297 ( -0.298 -0.298 1.233) 1.303 16.841 ( 1.251 0.042 2.650) 2.931 16.927 ( 0.715 0.159 -3.663) 3.736 19.568 ( -0.903 -1.897 5.323) 5.722 19.923 ( -11.076 0.519 -5.234) 12.261 21.570 ( 4.406 2.561 -2.266) 5.578 21.630 ( 4.670 -1.945 -3.952) 6.419 21.804 ( 4.581 2.118 -1.858) 5.378 22.087 ( 9.850 2.246 2.515) 10.411 22.308 ( 4.848 5.876 1.290) 7.726 22.494 ( -2.661 1.400 -0.175) 3.012 22.589 ( 0.612 -1.093 7.943) 8.041 22.853 ( 5.675 -0.735 0.716) 5.767 22.886 ( 1.813 4.500 1.996) 5.246 23.094 ( 2.642 -3.646 -2.808) 5.306 23.399 ( -1.954 2.115 -2.362) 3.724 23.800 ( -17.402 -4.939 -1.019) 18.118 ======================= Grid point 197 (92/95) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 9.590 11.657 10.898) 18.617 2.261 ( 11.004 16.361 -1.551) 19.779 2.370 ( 9.466 11.481 -5.789) 15.967 2.660 ( 5.502 8.163 -4.699) 10.908 2.857 ( 6.079 4.122 -3.905) 8.318 2.980 ( -2.965 7.955 4.187) 9.466 3.166 ( 10.218 6.094 6.852) 13.729 3.286 ( 1.071 5.331 -1.178) 5.563 3.390 ( 6.201 0.698 4.126) 7.480 3.435 ( -9.198 0.681 -3.448) 9.846 3.447 ( 1.261 0.278 -3.945) 4.151 3.597 ( 11.584 2.944 5.841) 13.303 3.678 ( 1.636 3.308 3.705) 5.229 3.971 ( -3.947 -3.732 -10.711) 12.010 4.024 ( -3.713 2.592 -0.434) 4.549 4.074 ( 6.472 4.606 3.872) 8.837 4.139 ( 4.668 6.176 3.203) 8.378 4.272 ( 5.763 -4.729 -5.226) 9.105 4.464 ( -2.387 6.558 -0.901) 7.037 4.522 ( -2.668 7.108 -3.351) 8.299 4.549 ( -6.990 3.308 4.577) 8.986 4.618 ( 3.811 2.810 -3.349) 5.800 4.790 ( -6.211 0.662 -0.351) 6.256 4.817 ( -16.274 0.057 0.702) 16.289 5.034 ( -1.304 -1.414 5.740) 6.054 5.099 ( 4.275 -2.509 -4.387) 6.620 5.178 ( -2.118 1.196 -7.914) 8.279 5.300 ( 2.435 -0.776 5.013) 5.627 5.373 ( 1.992 3.554 1.534) 4.353 5.424 ( 2.343 0.562 5.427) 5.938 5.567 ( -2.421 2.474 -1.860) 3.929 5.617 ( -5.969 -1.105 1.841) 6.344 5.724 ( -0.325 -0.669 -8.424) 8.457 5.828 ( -1.910 -0.747 2.744) 3.426 5.900 ( -3.166 -6.272 4.279) 8.226 6.038 ( -6.885 -0.300 -2.550) 7.348 6.240 ( 3.295 -6.853 2.275) 7.937 6.275 ( 5.192 -0.023 -1.891) 5.525 6.335 ( 2.124 2.808 -1.932) 4.016 6.359 ( 0.468 -1.828 4.159) 4.567 6.425 ( -2.957 4.944 -5.900) 8.246 6.525 ( -5.258 7.525 -3.356) 9.774 6.711 ( 3.272 -0.052 -1.603) 3.644 6.814 ( -3.232 -3.323 1.226) 4.794 6.910 ( 3.444 -3.066 1.747) 4.931 6.970 ( -1.158 0.252 3.009) 3.233 7.098 ( -2.248 -5.013 -7.732) 9.486 7.117 ( -4.231 1.558 0.627) 4.552 7.303 ( 3.476 -0.607 7.918) 8.669 7.434 ( 1.261 -5.557 -5.148) 7.679 7.545 ( 6.192 0.724 8.999) 10.947 7.691 ( -0.063 -0.380 -3.187) 3.210 7.764 ( -0.984 0.202 3.251) 3.402 7.812 ( -1.792 -3.868 0.700) 4.320 7.861 ( 1.863 -3.104 3.405) 4.970 7.983 ( 4.600 -2.971 5.844) 8.009 8.139 ( -2.503 -3.061 -5.483) 6.760 8.208 ( 0.561 -4.094 1.673) 4.458 8.454 ( -6.639 -2.300 -6.718) 9.720 8.500 ( -6.613 -1.914 -1.949) 7.155 9.604 ( 2.089 -2.639 7.852) 8.543 9.699 ( 1.661 -0.455 -3.660) 4.044 9.749 ( 0.946 -5.142 1.378) 5.407 9.908 ( -3.989 -2.580 -6.388) 7.961 10.013 ( 3.228 -3.675 -2.478) 5.483 10.118 ( -4.423 -5.257 3.324) 7.632 10.319 ( 4.566 0.153 -4.334) 6.297 10.501 ( -9.594 -4.623 2.994) 11.063 10.802 ( 5.421 -2.599 6.083) 8.552 10.915 ( 1.449 1.589 2.604) 3.377 11.009 ( -0.597 2.773 -0.893) 2.974 11.037 ( -3.776 -3.254 -3.755) 6.241 11.198 ( 3.439 0.400 -2.498) 4.269 11.286 ( -3.165 -0.875 1.411) 3.574 16.866 ( 1.098 0.418 3.411) 3.607 16.913 ( -0.130 0.439 -4.054) 4.079 19.621 ( 0.773 -2.840 6.609) 7.235 19.776 ( -7.162 -0.643 -6.493) 9.689 21.584 ( 3.179 2.895 1.221) 4.470 21.658 ( -0.151 0.803 -4.584) 4.657 21.859 ( 10.385 2.862 -4.639) 11.729 22.093 ( -6.134 2.563 6.230) 9.111 22.282 ( 6.536 8.218 1.895) 10.670 22.429 ( -2.361 3.817 -3.186) 5.504 22.665 ( 5.147 1.469 3.829) 6.582 22.791 ( -1.754 6.275 -0.231) 6.520 23.031 ( 10.563 -5.370 3.077) 12.242 23.162 ( 1.328 -2.432 1.284) 3.054 23.344 ( 0.026 1.714 -1.954) 2.600 23.628 ( -18.055 -6.289 -2.918) 19.341 ======================= Grid point 198 (93/95) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 2.494 19.234 -4.509) 19.913 2.103 ( -2.494 19.234 4.509) 19.913 2.370 ( -3.736 15.092 -7.939) 17.457 2.370 ( 3.736 15.092 7.939) 17.457 2.882 ( 0.114 1.874 -7.330) 7.566 2.882 ( -0.114 1.874 7.330) 7.566 3.243 ( -10.387 5.575 -8.039) 14.269 3.243 ( 10.387 5.575 8.039) 14.269 3.330 ( -7.213 4.092 -3.150) 8.871 3.330 ( 7.213 4.092 3.150) 8.871 3.490 ( -10.206 4.966 -1.302) 11.424 3.490 ( 10.206 4.966 1.302) 11.424 3.804 ( -8.568 6.796 -10.983) 15.499 3.804 ( 8.568 6.796 10.983) 15.499 4.033 ( -5.778 5.522 -1.622) 8.155 4.033 ( 5.778 5.522 1.622) 8.155 4.200 ( -15.455 0.251 -3.113) 15.767 4.200 ( 15.455 0.251 3.113) 15.767 4.363 ( 5.165 6.025 -6.038) 9.972 4.363 ( -5.165 6.025 6.038) 9.972 4.561 ( 12.044 6.650 -5.963) 14.995 4.561 ( -12.044 6.650 5.963) 14.995 4.742 ( -9.383 -7.035 -0.533) 11.740 4.742 ( 9.383 -7.035 0.533) 11.740 5.069 ( -1.300 0.842 -6.773) 6.948 5.069 ( 1.300 0.842 6.773) 6.948 5.245 ( 3.045 -0.015 -5.720) 6.480 5.245 ( -3.045 -0.015 5.720) 6.480 5.430 ( -6.729 2.446 -7.106) 10.088 5.430 ( 6.729 2.446 7.106) 10.088 5.524 ( -2.233 -2.009 -4.011) 5.011 5.524 ( 2.233 -2.009 4.011) 5.011 5.796 ( 0.503 -4.391 -4.554) 6.346 5.796 ( -0.503 -4.391 4.554) 6.346 5.978 ( 2.099 -1.877 -2.533) 3.788 5.978 ( -2.099 -1.877 2.533) 3.788 6.296 ( -2.237 5.017 -2.403) 5.996 6.296 ( 2.237 5.017 2.403) 5.996 6.322 ( -2.672 2.730 -7.291) 8.231 6.322 ( 2.672 2.730 7.291) 8.231 6.441 ( 3.035 -6.067 -11.079) 12.991 6.441 ( -3.035 -6.067 11.079) 12.991 6.791 ( -2.993 -3.358 -1.433) 4.721 6.791 ( 2.993 -3.358 1.433) 4.721 6.961 ( 1.317 1.641 -3.680) 4.240 6.961 ( -1.317 1.641 3.680) 4.240 7.110 ( -3.738 -4.985 -7.311) 9.606 7.110 ( 3.738 -4.985 7.311) 9.606 7.405 ( -4.893 -0.225 -8.488) 9.799 7.405 ( 4.893 -0.225 8.488) 9.799 7.625 ( -2.753 1.350 -6.361) 7.061 7.625 ( 2.753 1.350 6.361) 7.061 7.802 ( -3.118 -2.150 -2.030) 4.297 7.802 ( 3.118 -2.150 2.030) 4.297 8.067 ( -6.625 -7.666 -10.675) 14.718 8.067 ( 6.625 -7.666 10.675) 14.718 8.150 ( -6.168 0.721 -7.947) 10.085 8.150 ( 6.168 0.721 7.947) 10.085 8.505 ( -3.017 -6.871 -1.563) 7.665 8.505 ( 3.017 -6.871 1.563) 7.665 9.697 ( -1.899 -2.148 -5.458) 6.165 9.697 ( 1.899 -2.148 5.458) 6.165 9.867 ( -4.311 -4.962 -5.887) 8.824 9.867 ( 4.311 -4.962 5.887) 8.824 10.134 ( -3.361 -5.814 0.272) 6.721 10.134 ( 3.361 -5.814 -0.272) 6.721 10.421 ( -9.395 -1.671 0.496) 9.555 10.421 ( 9.395 -1.671 -0.496) 9.555 10.897 ( 0.951 1.451 -0.526) 1.813 10.897 ( -0.951 1.451 0.526) 1.813 10.999 ( -3.677 -1.641 -7.310) 8.345 10.999 ( 3.677 -1.641 7.310) 8.345 11.243 ( 1.544 -0.337 -2.193) 2.703 11.243 ( -1.544 -0.337 2.193) 2.703 16.883 ( -0.766 0.959 -3.925) 4.112 16.883 ( 0.766 0.959 3.925) 4.112 19.709 ( -2.967 -3.333 -6.327) 7.742 19.709 ( 2.967 -3.333 6.327) 7.742 21.586 ( -1.606 4.336 -5.907) 7.502 21.586 ( 1.606 4.336 5.907) 7.502 21.953 ( 11.035 2.951 -7.198) 13.501 21.953 ( -11.035 2.951 7.198) 13.501 22.295 ( -5.422 5.367 -4.941) 9.089 22.295 ( 5.422 5.367 4.941) 9.089 22.695 ( -2.678 2.892 -0.707) 4.005 22.695 ( 2.678 2.892 0.707) 4.005 23.179 ( 4.816 1.019 -4.487) 6.660 23.179 ( -4.816 1.019 4.487) 6.660 23.457 ( -12.557 -5.444 -9.390) 16.597 23.457 ( 12.557 -5.444 9.390) 16.597 ======================= Grid point 206 (94/95) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 4.514 0.000 12.289) 13.092 2.403 ( 8.750 0.000 -15.244) 17.577 2.626 ( 15.063 0.000 14.352) 20.806 2.725 ( 10.986 0.000 -11.687) 16.040 3.003 ( 6.774 0.000 2.501) 7.221 3.090 ( 3.364 0.000 -5.750) 6.662 3.292 ( 12.117 0.000 3.822) 12.705 3.297 ( 9.979 0.000 0.412) 9.988 3.402 ( -9.727 -0.000 1.927) 9.916 3.427 ( -7.384 -0.000 -4.234) 8.512 3.485 ( 1.725 0.000 3.746) 4.124 3.680 ( 4.614 0.000 7.284) 8.622 3.743 ( 0.699 0.000 5.442) 5.487 3.784 ( 1.659 0.000 -8.148) 8.315 4.050 ( 3.581 0.000 0.710) 3.650 4.093 ( 1.691 0.000 3.063) 3.499 4.223 ( 0.518 0.000 8.318) 8.334 4.247 ( -5.125 -0.000 -7.277) 8.901 4.558 ( -0.274 -0.000 -5.123) 5.131 4.566 ( 2.288 0.000 -3.874) 4.499 4.619 ( -8.393 -0.000 -10.005) 13.060 4.681 ( -9.612 -0.000 6.610) 11.666 4.723 ( 3.284 0.000 1.101) 3.463 4.926 ( -8.416 -0.000 -4.434) 9.513 5.039 ( -0.010 -0.000 4.542) 4.542 5.063 ( 0.896 0.000 -2.039) 2.227 5.222 ( -2.013 -0.000 -10.359) 10.553 5.257 ( -2.945 -0.000 3.731) 4.753 5.381 ( 3.043 0.000 7.218) 7.833 5.475 ( 9.012 0.000 8.535) 12.413 5.575 ( -4.714 -0.000 0.004) 4.714 5.654 ( 1.419 0.000 -4.634) 4.846 5.735 ( 3.785 0.000 -3.360) 5.061 5.776 ( 2.717 0.000 -5.047) 5.731 5.820 ( -6.130 -0.000 7.530) 9.709 6.002 ( -10.014 -0.000 -6.699) 12.048 6.117 ( 0.033 0.000 3.968) 3.968 6.170 ( -1.096 -0.000 -3.970) 4.119 6.333 ( 3.856 0.000 -5.819) 6.981 6.457 ( -4.728 -0.000 7.582) 8.935 6.638 ( 5.137 0.000 -0.639) 5.177 6.658 ( 0.750 0.000 2.635) 2.740 6.735 ( 3.827 0.000 2.117) 4.374 6.752 ( -5.099 -0.000 3.603) 6.244 6.851 ( -0.045 -0.000 -4.653) 4.654 6.882 ( -4.642 -0.000 -6.629) 8.093 7.061 ( 2.774 0.000 -2.880) 3.999 7.178 ( -5.878 -0.000 -3.655) 6.922 7.302 ( 4.017 0.000 6.679) 7.794 7.309 ( 4.437 0.000 -1.149) 4.583 7.566 ( 7.191 0.000 8.905) 11.446 7.608 ( 2.395 0.000 6.844) 7.251 7.747 ( -2.454 -0.000 -0.423) 2.490 7.770 ( -3.123 -0.000 -0.005) 3.123 7.841 ( -3.373 -0.000 -1.598) 3.732 7.967 ( 1.836 0.000 3.628) 4.066 8.096 ( -3.170 -0.000 -0.140) 3.173 8.134 ( 5.783 0.000 3.389) 6.703 8.399 ( -8.503 -0.000 -2.905) 8.985 8.505 ( -13.106 -0.000 -9.937) 16.447 9.566 ( 0.558 0.000 8.985) 9.003 9.641 ( -1.241 -0.000 -5.911) 6.040 9.731 ( 3.483 0.000 3.825) 5.173 9.869 ( -2.458 -0.000 -5.373) 5.909 9.965 ( 1.768 0.000 -6.731) 6.959 10.046 ( -4.931 -0.000 4.048) 6.380 10.328 ( 0.648 0.000 -4.205) 4.254 10.401 ( -6.815 -0.000 4.634) 8.241 10.781 ( 4.242 0.000 3.818) 5.707 10.896 ( -1.045 -0.000 1.599) 1.910 11.001 ( 3.273 0.000 -4.387) 5.474 11.097 ( -2.440 -0.000 3.191) 4.017 11.175 ( 5.506 0.000 -2.963) 6.253 11.280 ( -2.731 -0.000 1.044) 2.923 16.869 ( 1.242 0.000 3.265) 3.493 16.918 ( -0.144 -0.000 -3.942) 3.945 19.585 ( 1.527 0.000 7.841) 7.989 19.771 ( -8.021 -0.000 -7.595) 11.047 21.629 ( 2.826 0.000 -2.836) 4.004 21.651 ( 1.823 0.000 -1.162) 2.162 21.900 ( 9.352 0.000 -4.738) 10.484 22.129 ( -6.881 -0.000 6.921) 9.760 22.421 ( 3.624 0.000 1.156) 3.804 22.483 ( -0.694 -0.000 -1.974) 2.093 22.704 ( 12.411 0.000 10.467) 16.235 22.905 ( 5.043 0.000 -1.502) 5.262 22.970 ( 0.146 0.000 2.213) 2.218 23.039 ( -2.036 -0.000 -6.594) 6.901 23.383 ( -0.721 -0.000 -3.001) 3.086 23.536 ( -15.449 -0.000 1.024) 15.483 ======================= Grid point 207 (95/95) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-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 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 1.982 4.695 -14.588) 15.453 2.396 ( -1.982 4.695 14.588) 15.453 2.723 ( -1.548 8.533 -13.944) 16.421 2.723 ( 1.548 8.533 13.944) 16.421 3.029 ( 1.593 6.747 -3.771) 7.892 3.029 ( -1.593 6.747 3.771) 7.892 3.324 ( -4.071 1.520 0.116) 4.347 3.324 ( 4.071 1.520 -0.116) 4.347 3.396 ( -5.054 1.236 -3.813) 6.451 3.396 ( 5.054 1.236 3.813) 6.451 3.592 ( -14.452 1.969 -5.496) 15.586 3.592 ( 14.452 1.969 5.496) 15.586 3.767 ( -8.397 -2.838 -8.430) 12.232 3.767 ( 8.397 -2.838 8.430) 12.232 4.130 ( -9.335 -1.007 -5.319) 10.792 4.130 ( 9.335 -1.007 5.319) 10.792 4.207 ( 1.587 0.783 -3.228) 3.681 4.207 ( -1.587 0.783 3.228) 3.681 4.539 ( 2.648 2.325 -5.164) 6.252 4.539 ( -2.648 2.325 5.164) 6.252 4.587 ( -3.909 -1.471 0.628) 4.224 4.587 ( 3.909 -1.471 -0.628) 4.224 4.754 ( -6.042 5.914 -0.654) 8.480 4.754 ( 6.042 5.914 0.654) 8.480 5.077 ( -1.871 0.756 -7.007) 7.292 5.077 ( 1.871 0.756 7.007) 7.292 5.205 ( 4.852 -1.640 -3.884) 6.428 5.205 ( -4.852 -1.640 3.884) 6.428 5.483 ( -4.284 -1.172 -6.528) 7.896 5.483 ( 4.284 -1.172 6.528) 7.896 5.594 ( -7.851 6.395 -6.943) 12.277 5.594 ( 7.851 6.395 6.943) 12.277 5.748 ( 5.486 0.189 -3.875) 6.719 5.748 ( -5.486 0.189 3.875) 6.719 5.888 ( -7.086 -4.860 -3.780) 9.387 5.888 ( 7.086 -4.860 3.780) 9.387 6.185 ( -1.398 -6.470 -4.689) 8.112 6.185 ( 1.398 -6.470 4.689) 8.112 6.387 ( 3.214 0.918 -4.815) 5.862 6.387 ( -3.214 0.918 4.815) 5.862 6.576 ( -3.894 12.123 -4.065) 13.366 6.576 ( 3.894 12.123 4.065) 13.366 6.751 ( 2.310 -0.564 -3.745) 4.436 6.751 ( -2.310 -0.564 3.745) 4.436 6.892 ( -0.374 -6.320 -7.665) 9.942 6.892 ( 0.374 -6.320 7.665) 9.942 7.088 ( -3.397 1.804 -1.218) 4.035 7.088 ( 3.397 1.804 1.218) 4.035 7.361 ( -0.859 -2.311 -5.520) 6.046 7.361 ( 0.859 -2.311 5.520) 6.046 7.649 ( -2.070 -0.195 -5.396) 5.782 7.649 ( 2.070 -0.195 5.396) 5.782 7.747 ( 0.981 -1.733 -2.074) 2.875 7.747 ( -0.981 -1.733 2.074) 2.875 7.897 ( -7.411 -3.435 -8.317) 11.658 7.897 ( 7.411 -3.435 8.317) 11.658 8.169 ( -5.353 0.500 -5.897) 7.980 8.169 ( 5.353 0.500 5.897) 7.980 8.359 ( -2.282 -3.513 -2.648) 4.956 8.359 ( 2.282 -3.513 2.648) 4.956 9.622 ( -0.985 -2.445 -8.266) 8.676 9.622 ( 0.985 -2.445 8.266) 8.676 9.802 ( -4.042 -0.529 -7.365) 8.418 9.802 ( 4.042 -0.529 7.365) 8.418 10.012 ( 4.465 -2.764 -4.107) 6.666 10.012 ( -4.465 -2.764 4.107) 6.666 10.359 ( 5.207 -2.101 -4.797) 7.385 10.359 ( -5.207 -2.101 4.797) 7.385 10.864 ( -4.329 -2.032 -3.389) 5.861 10.864 ( 4.329 -2.032 3.389) 5.861 11.037 ( 1.715 2.652 -2.326) 3.923 11.037 ( -1.715 2.652 2.326) 3.923 11.239 ( 2.746 -0.382 -2.255) 3.574 11.239 ( -2.746 -0.382 2.255) 3.574 16.896 ( -0.814 0.160 -3.833) 3.921 16.896 ( 0.814 0.160 3.833) 3.921 19.661 ( -4.405 -0.743 -8.081) 9.234 19.661 ( 4.405 -0.743 8.081) 9.234 21.646 ( -0.745 0.823 -1.868) 2.173 21.646 ( 0.745 0.823 1.868) 2.173 22.013 ( 11.196 1.372 -7.087) 13.321 22.013 ( -11.196 1.372 7.087) 13.321 22.437 ( -1.341 3.722 -3.302) 5.153 22.437 ( 1.341 3.722 3.302) 5.153 22.824 ( -5.792 7.458 -4.378) 10.408 22.824 ( 5.792 7.458 4.378) 10.408 23.062 ( -2.092 -8.756 -8.091) 12.104 23.062 ( 2.092 -8.756 8.091) 12.104 23.396 ( -0.276 -0.031 -2.477) 2.492 23.396 ( 0.276 -0.031 2.477) 2.492 =================== 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 3/29160 10.0 108.329 106.423 76.758 0.000 -24.059 -0.000 3/29160 20.0 32.333 37.274 20.267 0.000 -5.025 -0.000 3/29160 30.0 15.569 17.869 9.524 0.000 -1.969 -0.000 3/29160 40.0 9.425 10.602 5.750 0.000 -1.045 -0.000 3/29160 50.0 6.472 7.161 3.974 0.000 -0.658 -0.000 3/29160 60.0 4.825 5.271 2.995 0.000 -0.463 -0.000 3/29160 70.0 3.810 4.120 2.395 0.000 -0.351 -0.000 3/29160 80.0 3.137 3.365 1.997 0.000 -0.279 -0.000 3/29160 90.0 2.664 2.838 1.716 0.000 -0.231 -0.000 3/29160 100.0 2.317 2.454 1.508 0.000 -0.196 -0.000 3/29160 110.0 2.052 2.162 1.349 0.000 -0.169 -0.000 3/29160 120.0 1.844 1.934 1.223 0.000 -0.148 -0.000 3/29160 130.0 1.676 1.751 1.122 0.000 -0.132 -0.000 3/29160 140.0 1.540 1.602 1.039 0.000 -0.118 -0.000 3/29160 150.0 1.426 1.477 0.969 0.000 -0.107 -0.000 3/29160 160.0 1.330 1.372 0.911 0.000 -0.097 -0.000 3/29160 170.0 1.248 1.282 0.861 0.000 -0.089 -0.000 3/29160 180.0 1.177 1.205 0.818 0.000 -0.081 -0.000 3/29160 190.0 1.116 1.137 0.781 0.000 -0.075 -0.000 3/29160 200.0 1.061 1.077 0.748 0.000 -0.069 -0.000 3/29160 210.0 1.013 1.023 0.720 0.000 -0.064 -0.000 3/29160 220.0 0.971 0.976 0.694 0.000 -0.059 -0.000 3/29160 230.0 0.932 0.933 0.670 0.000 -0.055 -0.000 3/29160 240.0 0.897 0.894 0.649 0.000 -0.051 -0.000 3/29160 250.0 0.865 0.859 0.630 0.000 -0.048 -0.000 3/29160 260.0 0.836 0.826 0.613 0.000 -0.045 -0.000 3/29160 270.0 0.810 0.796 0.596 0.000 -0.042 -0.000 3/29160 280.0 0.785 0.769 0.581 0.000 -0.039 -0.000 3/29160 290.0 0.762 0.743 0.567 0.000 -0.037 -0.000 3/29160 300.0 0.740 0.719 0.553 0.000 -0.034 -0.000 3/29160 310.0 0.720 0.697 0.541 0.000 -0.032 -0.000 3/29160 320.0 0.701 0.676 0.529 0.000 -0.031 -0.000 3/29160 330.0 0.684 0.657 0.517 0.000 -0.029 -0.000 3/29160 340.0 0.667 0.639 0.507 0.000 -0.027 -0.000 3/29160 350.0 0.651 0.621 0.496 0.000 -0.026 -0.000 3/29160 360.0 0.636 0.605 0.486 0.000 -0.024 -0.000 3/29160 370.0 0.621 0.590 0.477 0.000 -0.023 -0.000 3/29160 380.0 0.608 0.575 0.468 0.000 -0.022 -0.000 3/29160 390.0 0.595 0.561 0.459 0.000 -0.021 -0.000 3/29160 400.0 0.582 0.548 0.451 0.000 -0.020 -0.000 3/29160 410.0 0.570 0.535 0.443 0.000 -0.019 -0.000 3/29160 420.0 0.559 0.523 0.435 0.000 -0.018 -0.000 3/29160 430.0 0.548 0.512 0.427 0.000 -0.017 -0.000 3/29160 440.0 0.537 0.501 0.420 0.000 -0.016 -0.000 3/29160 450.0 0.527 0.490 0.413 0.000 -0.016 -0.000 3/29160 460.0 0.517 0.480 0.406 0.000 -0.015 -0.000 3/29160 470.0 0.508 0.471 0.399 0.000 -0.014 -0.000 3/29160 480.0 0.499 0.462 0.393 0.000 -0.014 -0.000 3/29160 490.0 0.490 0.453 0.387 0.000 -0.013 -0.000 3/29160 500.0 0.481 0.444 0.381 0.000 -0.013 -0.000 3/29160 510.0 0.473 0.436 0.375 0.000 -0.012 -0.000 3/29160 520.0 0.465 0.428 0.369 0.000 -0.012 -0.000 3/29160 530.0 0.458 0.420 0.363 0.000 -0.011 -0.000 3/29160 540.0 0.450 0.413 0.358 0.000 -0.011 -0.000 3/29160 550.0 0.443 0.406 0.353 0.000 -0.011 -0.000 3/29160 560.0 0.436 0.399 0.348 0.000 -0.010 -0.000 3/29160 570.0 0.429 0.392 0.343 0.000 -0.010 -0.000 3/29160 580.0 0.423 0.386 0.338 0.000 -0.010 -0.000 3/29160 590.0 0.416 0.379 0.333 0.000 -0.009 -0.000 3/29160 600.0 0.410 0.373 0.328 0.000 -0.009 -0.000 3/29160 610.0 0.404 0.368 0.324 0.000 -0.009 -0.000 3/29160 620.0 0.398 0.362 0.320 0.000 -0.008 -0.000 3/29160 630.0 0.393 0.356 0.315 0.000 -0.008 -0.000 3/29160 640.0 0.387 0.351 0.311 0.000 -0.008 -0.000 3/29160 650.0 0.382 0.346 0.307 0.000 -0.008 -0.000 3/29160 660.0 0.377 0.341 0.303 0.000 -0.007 -0.000 3/29160 670.0 0.371 0.336 0.299 0.000 -0.007 -0.000 3/29160 680.0 0.366 0.331 0.295 0.000 -0.007 -0.000 3/29160 690.0 0.362 0.327 0.292 0.000 -0.007 -0.000 3/29160 700.0 0.357 0.322 0.288 0.000 -0.007 -0.000 3/29160 710.0 0.352 0.318 0.285 0.000 -0.006 -0.000 3/29160 720.0 0.348 0.314 0.281 0.000 -0.006 -0.000 3/29160 730.0 0.344 0.309 0.278 0.000 -0.006 -0.000 3/29160 740.0 0.339 0.305 0.275 0.000 -0.006 -0.000 3/29160 750.0 0.335 0.301 0.271 0.000 -0.006 -0.000 3/29160 760.0 0.331 0.298 0.268 0.000 -0.006 -0.000 3/29160 770.0 0.327 0.294 0.265 0.000 -0.006 -0.000 3/29160 780.0 0.323 0.290 0.262 0.000 -0.005 -0.000 3/29160 790.0 0.319 0.287 0.259 0.000 -0.005 -0.000 3/29160 800.0 0.316 0.283 0.256 0.000 -0.005 -0.000 3/29160 810.0 0.312 0.280 0.253 0.000 -0.005 -0.000 3/29160 820.0 0.309 0.276 0.251 0.000 -0.005 -0.000 3/29160 830.0 0.305 0.273 0.248 0.000 -0.005 -0.000 3/29160 840.0 0.302 0.270 0.245 0.000 -0.005 -0.000 3/29160 850.0 0.298 0.267 0.243 0.000 -0.005 -0.000 3/29160 860.0 0.295 0.264 0.240 0.000 -0.005 -0.000 3/29160 870.0 0.292 0.261 0.238 0.000 -0.004 -0.000 3/29160 880.0 0.289 0.258 0.235 0.000 -0.004 -0.000 3/29160 890.0 0.286 0.255 0.233 0.000 -0.004 -0.000 3/29160 900.0 0.283 0.253 0.230 0.000 -0.004 -0.000 3/29160 910.0 0.280 0.250 0.228 0.000 -0.004 -0.000 3/29160 920.0 0.277 0.247 0.226 0.000 -0.004 -0.000 3/29160 930.0 0.274 0.245 0.224 0.000 -0.004 -0.000 3/29160 940.0 0.271 0.242 0.222 0.000 -0.004 -0.000 3/29160 950.0 0.269 0.240 0.219 0.000 -0.004 -0.000 3/29160 960.0 0.266 0.237 0.217 0.000 -0.004 -0.000 3/29160 970.0 0.264 0.235 0.215 0.000 -0.004 -0.000 3/29160 980.0 0.261 0.232 0.213 0.000 -0.004 -0.000 3/29160 990.0 0.258 0.230 0.211 0.000 -0.004 -0.000 3/29160 1000.0 0.256 0.228 0.209 0.000 -0.004 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:34:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|