----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:05:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.087653230000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.384196960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 2.918033820000000 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 *3 Ti 0.73284008503056 0.35701865632175 0.50000000000000 47.867 4 Ti 0.26715991496944 0.64298134367825 0.50000000000000 47.867 5 Ti 0.76715991496944 0.85701865632175 0.50000000000000 47.867 6 Ti 0.23284008503056 0.14298134367825 0.50000000000000 47.867 *7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 *8 Al 0.48670060345641 0.80156110422559 0.00000000000000 26.982 9 Al 0.01329939654359 0.30156110422559 0.00000000000000 26.982 10 Al 0.51329939654359 0.19843889577441 0.00000000000000 26.982 *11 Al 0.18801414757661 0.85303894971110 0.50000000000000 26.982 12 Al 0.81198585242339 0.14696105028890 0.50000000000000 26.982 13 Al 0.98670060345641 0.69843889577441 0.00000000000000 26.982 14 Al 0.68801414757661 0.64696105028890 0.50000000000000 26.982 15 Al 0.31198585242339 0.35303894971110 0.50000000000000 26.982 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 *17 O 0.39237880867888 0.55076453155046 0.50000000000000 15.999 *18 O 0.13169549687411 0.90609597555783 0.00000000000000 15.999 *19 O 0.11663822289139 0.35277441773147 0.50000000000000 15.999 *20 O 0.35834412611717 0.70542641667806 0.00000000000000 15.999 21 O 0.38336177710861 0.85277441773147 0.50000000000000 15.999 22 O 0.61663822289139 0.14722558226853 0.50000000000000 15.999 23 O 0.10762119132112 0.05076453155046 0.50000000000000 15.999 24 O 0.86830450312589 0.09390402444217 0.00000000000000 15.999 25 O 0.63169549687411 0.59390402444217 0.00000000000000 15.999 26 O 0.85834412611717 0.79457358332194 0.00000000000000 15.999 27 O 0.14165587388283 0.20542641667806 0.00000000000000 15.999 *28 O 0.13159835181086 0.60526636940622 0.00000000000000 15.999 *29 O 0.60492629254219 0.75307365399274 0.50000000000000 15.999 30 O 0.86840164818914 0.39473363059378 0.00000000000000 15.999 31 O 0.64165587388283 0.29457358332194 0.00000000000000 15.999 32 O 0.63159835181086 0.89473363059378 0.00000000000000 15.999 33 O 0.89237880867888 0.94923546844954 0.50000000000000 15.999 34 O 0.10492629254219 0.74692634600726 0.50000000000000 15.999 35 O 0.60762119132112 0.44923546844954 0.50000000000000 15.999 36 O 0.89507370745781 0.25307365399274 0.50000000000000 15.999 37 O 0.36830450312589 0.40609597555783 0.00000000000000 15.999 38 O 0.39507370745781 0.24692634600726 0.50000000000000 15.999 39 O 0.36840164818914 0.10526636940622 0.00000000000000 15.999 40 O 0.88336177710861 0.64722558226853 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.087653230000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.384196960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 2.918033820000000 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 2 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 2 *3 Ti 0.73284008503056 0.35701865632175 0.50000000000000 47.867 > 3 4 Ti 0.26715991496944 0.64298134367825 0.50000000000000 47.867 > 4 5 Ti 0.76715991496944 0.85701865632175 0.50000000000000 47.867 > 5 6 Ti 0.23284008503056 0.14298134367825 0.50000000000000 47.867 > 6 *7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 7 *8 Al 0.48670060345641 0.80156110422559 0.00000000000000 26.982 > 8 9 Al 0.01329939654359 0.30156110422559 0.00000000000000 26.982 > 9 10 Al 0.51329939654359 0.19843889577441 0.00000000000000 26.982 > 10 *11 Al 0.18801414757661 0.85303894971110 0.50000000000000 26.982 > 11 12 Al 0.81198585242339 0.14696105028890 0.50000000000000 26.982 > 12 13 Al 0.98670060345641 0.69843889577441 0.00000000000000 26.982 > 13 14 Al 0.68801414757661 0.64696105028890 0.50000000000000 26.982 > 14 15 Al 0.31198585242339 0.35303894971110 0.50000000000000 26.982 > 15 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 16 *17 O 0.39237880867888 0.55076453155046 0.50000000000000 15.999 > 17 *18 O 0.13169549687411 0.90609597555783 0.00000000000000 15.999 > 18 *19 O 0.11663822289139 0.35277441773147 0.50000000000000 15.999 > 19 *20 O 0.35834412611717 0.70542641667806 0.00000000000000 15.999 > 20 21 O 0.38336177710861 0.85277441773147 0.50000000000000 15.999 > 21 22 O 0.61663822289139 0.14722558226853 0.50000000000000 15.999 > 22 23 O 0.10762119132112 0.05076453155046 0.50000000000000 15.999 > 23 24 O 0.86830450312589 0.09390402444217 0.00000000000000 15.999 > 24 25 O 0.63169549687411 0.59390402444217 0.00000000000000 15.999 > 25 26 O 0.85834412611717 0.79457358332194 0.00000000000000 15.999 > 26 27 O 0.14165587388283 0.20542641667806 0.00000000000000 15.999 > 27 *28 O 0.13159835181086 0.60526636940622 0.00000000000000 15.999 > 28 *29 O 0.60492629254219 0.75307365399274 0.50000000000000 15.999 > 29 30 O 0.86840164818914 0.39473363059378 0.00000000000000 15.999 > 30 31 O 0.64165587388283 0.29457358332194 0.00000000000000 15.999 > 31 32 O 0.63159835181086 0.89473363059378 0.00000000000000 15.999 > 32 33 O 0.89237880867888 0.94923546844954 0.50000000000000 15.999 > 33 34 O 0.10492629254219 0.74692634600726 0.50000000000000 15.999 > 34 35 O 0.60762119132112 0.44923546844954 0.50000000000000 15.999 > 35 36 O 0.89507370745781 0.25307365399274 0.50000000000000 15.999 > 36 37 O 0.36830450312589 0.40609597555783 0.00000000000000 15.999 > 37 38 O 0.39507370745781 0.24692634600726 0.50000000000000 15.999 > 38 39 O 0.36840164818914 0.10526636940622 0.00000000000000 15.999 > 39 40 O 0.88336177710861 0.64722558226853 0.50000000000000 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.087653230000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.384196960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.754101459999999 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.16666666666667 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.50000000000000 0.00000000000000 0.83333333333333 22.990 > 1 4 Na 0.00000000000000 0.50000000000000 0.16666666666667 22.990 > 2 5 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 2 6 Na 0.00000000000000 0.50000000000000 0.83333333333333 22.990 > 2 *7 Ti 0.73284008503056 0.35701865632175 0.16666666666667 47.867 > 3 8 Ti 0.73284008503056 0.35701865632175 0.50000000000000 47.867 > 3 9 Ti 0.73284008503056 0.35701865632175 0.83333333333333 47.867 > 3 10 Ti 0.26715991496944 0.64298134367825 0.16666666666667 47.867 > 4 11 Ti 0.26715991496944 0.64298134367825 0.50000000000000 47.867 > 4 12 Ti 0.26715991496944 0.64298134367825 0.83333333333333 47.867 > 4 13 Ti 0.76715991496944 0.85701865632175 0.16666666666667 47.867 > 5 14 Ti 0.76715991496944 0.85701865632175 0.50000000000000 47.867 > 5 15 Ti 0.76715991496944 0.85701865632175 0.83333333333333 47.867 > 5 16 Ti 0.23284008503056 0.14298134367825 0.16666666666667 47.867 > 6 17 Ti 0.23284008503056 0.14298134367825 0.50000000000000 47.867 > 6 18 Ti 0.23284008503056 0.14298134367825 0.83333333333333 47.867 > 6 *19 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 7 20 Al 0.00000000000000 0.00000000000000 0.33333333333333 26.982 > 7 21 Al 0.00000000000000 0.00000000000000 0.66666666666667 26.982 > 7 *22 Al 0.48670060345641 0.80156110422559 0.00000000000000 26.982 > 8 23 Al 0.48670060345641 0.80156110422559 0.33333333333333 26.982 > 8 24 Al 0.48670060345641 0.80156110422559 0.66666666666667 26.982 > 8 25 Al 0.01329939654359 0.30156110422559 0.00000000000000 26.982 > 9 26 Al 0.01329939654359 0.30156110422559 0.33333333333333 26.982 > 9 27 Al 0.01329939654359 0.30156110422559 0.66666666666667 26.982 > 9 28 Al 0.51329939654359 0.19843889577441 0.00000000000000 26.982 > 10 29 Al 0.51329939654359 0.19843889577441 0.33333333333333 26.982 > 10 30 Al 0.51329939654359 0.19843889577441 0.66666666666667 26.982 > 10 *31 Al 0.18801414757661 0.85303894971110 0.16666666666667 26.982 > 11 32 Al 0.18801414757661 0.85303894971110 0.50000000000000 26.982 > 11 33 Al 0.18801414757661 0.85303894971110 0.83333333333333 26.982 > 11 34 Al 0.81198585242339 0.14696105028890 0.16666666666667 26.982 > 12 35 Al 0.81198585242339 0.14696105028890 0.50000000000000 26.982 > 12 36 Al 0.81198585242339 0.14696105028890 0.83333333333333 26.982 > 12 37 Al 0.98670060345641 0.69843889577441 0.00000000000000 26.982 > 13 38 Al 0.98670060345641 0.69843889577441 0.33333333333333 26.982 > 13 39 Al 0.98670060345641 0.69843889577441 0.66666666666667 26.982 > 13 40 Al 0.68801414757661 0.64696105028890 0.16666666666667 26.982 > 14 41 Al 0.68801414757661 0.64696105028890 0.50000000000000 26.982 > 14 42 Al 0.68801414757661 0.64696105028890 0.83333333333333 26.982 > 14 43 Al 0.31198585242339 0.35303894971110 0.16666666666667 26.982 > 15 44 Al 0.31198585242339 0.35303894971110 0.50000000000000 26.982 > 15 45 Al 0.31198585242339 0.35303894971110 0.83333333333333 26.982 > 15 46 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 16 47 Al 0.50000000000000 0.50000000000000 0.33333333333333 26.982 > 16 48 Al 0.50000000000000 0.50000000000000 0.66666666666667 26.982 > 16 *49 O 0.39237880867888 0.55076453155046 0.16666666666667 15.999 > 17 50 O 0.39237880867888 0.55076453155046 0.50000000000000 15.999 > 17 51 O 0.39237880867888 0.55076453155046 0.83333333333333 15.999 > 17 *52 O 0.13169549687411 0.90609597555783 0.00000000000000 15.999 > 18 53 O 0.13169549687411 0.90609597555783 0.33333333333333 15.999 > 18 54 O 0.13169549687411 0.90609597555783 0.66666666666667 15.999 > 18 *55 O 0.11663822289139 0.35277441773147 0.16666666666667 15.999 > 19 56 O 0.11663822289139 0.35277441773147 0.50000000000000 15.999 > 19 57 O 0.11663822289139 0.35277441773147 0.83333333333333 15.999 > 19 *58 O 0.35834412611717 0.70542641667806 0.00000000000000 15.999 > 20 59 O 0.35834412611717 0.70542641667806 0.33333333333333 15.999 > 20 60 O 0.35834412611717 0.70542641667806 0.66666666666667 15.999 > 20 61 O 0.38336177710861 0.85277441773147 0.16666666666667 15.999 > 21 62 O 0.38336177710861 0.85277441773147 0.50000000000000 15.999 > 21 63 O 0.38336177710861 0.85277441773147 0.83333333333333 15.999 > 21 64 O 0.61663822289139 0.14722558226853 0.16666666666667 15.999 > 22 65 O 0.61663822289139 0.14722558226853 0.50000000000000 15.999 > 22 66 O 0.61663822289139 0.14722558226853 0.83333333333333 15.999 > 22 67 O 0.10762119132112 0.05076453155046 0.16666666666667 15.999 > 23 68 O 0.10762119132112 0.05076453155046 0.50000000000000 15.999 > 23 69 O 0.10762119132112 0.05076453155046 0.83333333333333 15.999 > 23 70 O 0.86830450312589 0.09390402444217 0.00000000000000 15.999 > 24 71 O 0.86830450312589 0.09390402444217 0.33333333333333 15.999 > 24 72 O 0.86830450312589 0.09390402444217 0.66666666666667 15.999 > 24 73 O 0.63169549687411 0.59390402444217 0.00000000000000 15.999 > 25 74 O 0.63169549687411 0.59390402444217 0.33333333333333 15.999 > 25 75 O 0.63169549687411 0.59390402444217 0.66666666666667 15.999 > 25 76 O 0.85834412611717 0.79457358332194 0.00000000000000 15.999 > 26 77 O 0.85834412611717 0.79457358332194 0.33333333333333 15.999 > 26 78 O 0.85834412611717 0.79457358332194 0.66666666666667 15.999 > 26 79 O 0.14165587388283 0.20542641667806 0.00000000000000 15.999 > 27 80 O 0.14165587388283 0.20542641667806 0.33333333333333 15.999 > 27 81 O 0.14165587388283 0.20542641667806 0.66666666666667 15.999 > 27 *82 O 0.13159835181086 0.60526636940622 0.00000000000000 15.999 > 28 83 O 0.13159835181086 0.60526636940622 0.33333333333333 15.999 > 28 84 O 0.13159835181086 0.60526636940622 0.66666666666667 15.999 > 28 *85 O 0.60492629254219 0.75307365399274 0.16666666666667 15.999 > 29 86 O 0.60492629254219 0.75307365399274 0.50000000000000 15.999 > 29 87 O 0.60492629254219 0.75307365399274 0.83333333333333 15.999 > 29 88 O 0.86840164818914 0.39473363059378 0.00000000000000 15.999 > 30 89 O 0.86840164818914 0.39473363059378 0.33333333333333 15.999 > 30 90 O 0.86840164818914 0.39473363059378 0.66666666666667 15.999 > 30 91 O 0.64165587388283 0.29457358332194 0.00000000000000 15.999 > 31 92 O 0.64165587388283 0.29457358332194 0.33333333333333 15.999 > 31 93 O 0.64165587388283 0.29457358332194 0.66666666666667 15.999 > 31 94 O 0.63159835181086 0.89473363059378 0.00000000000000 15.999 > 32 95 O 0.63159835181086 0.89473363059378 0.33333333333333 15.999 > 32 96 O 0.63159835181086 0.89473363059378 0.66666666666667 15.999 > 32 97 O 0.89237880867888 0.94923546844954 0.16666666666667 15.999 > 33 98 O 0.89237880867888 0.94923546844954 0.50000000000000 15.999 > 33 99 O 0.89237880867888 0.94923546844954 0.83333333333333 15.999 > 33 100 O 0.10492629254219 0.74692634600726 0.16666666666667 15.999 > 34 101 O 0.10492629254219 0.74692634600726 0.50000000000000 15.999 > 34 102 O 0.10492629254219 0.74692634600726 0.83333333333333 15.999 > 34 103 O 0.60762119132112 0.44923546844954 0.16666666666667 15.999 > 35 104 O 0.60762119132112 0.44923546844954 0.50000000000000 15.999 > 35 105 O 0.60762119132112 0.44923546844954 0.83333333333333 15.999 > 35 106 O 0.89507370745781 0.25307365399274 0.16666666666667 15.999 > 36 107 O 0.89507370745781 0.25307365399274 0.50000000000000 15.999 > 36 108 O 0.89507370745781 0.25307365399274 0.83333333333333 15.999 > 36 109 O 0.36830450312589 0.40609597555783 0.00000000000000 15.999 > 37 110 O 0.36830450312589 0.40609597555783 0.33333333333333 15.999 > 37 111 O 0.36830450312589 0.40609597555783 0.66666666666667 15.999 > 37 112 O 0.39507370745781 0.24692634600726 0.16666666666667 15.999 > 38 113 O 0.39507370745781 0.24692634600726 0.50000000000000 15.999 > 38 114 O 0.39507370745781 0.24692634600726 0.83333333333333 15.999 > 38 115 O 0.36840164818914 0.10526636940622 0.00000000000000 15.999 > 39 116 O 0.36840164818914 0.10526636940622 0.33333333333333 15.999 > 39 117 O 0.36840164818914 0.10526636940622 0.66666666666667 15.999 > 39 118 O 0.88336177710861 0.64722558226853 0.16666666666667 15.999 > 40 119 O 0.88336177710861 0.64722558226853 0.50000000000000 15.999 > 40 120 O 0.88336177710861 0.64722558226853 0.83333333333333 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6857756 0.0000000 0.0000000 0.0000000 3.5987838 0.0000000 0.0000000 0.0000000 4.4913219 -------------------------- Born effective charges -------------------------- 1 Na 1.2761475 -0.3922190 0.0000000 -0.1093108 1.4942072 0.0000000 0.0000000 0.0000000 0.9909533 2 Na 1.2761475 0.3922190 0.0000000 0.1093108 1.4942072 0.0000000 0.0000000 0.0000000 0.9909533 3 Ti 3.5549557 -0.5335110 0.0000000 -0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 4 Ti 3.5549557 -0.5335110 0.0000000 -0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 5 Ti 3.5549557 0.5335110 0.0000000 0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 6 Ti 3.5549557 0.5335110 0.0000000 0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 7 Al 3.3108221 0.1427228 0.0000000 0.8189053 4.0530560 0.0000000 0.0000000 0.0000000 3.0972220 8 Al 3.6015017 0.5463295 0.0000000 0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 9 Al 3.6015017 -0.5463295 0.0000000 -0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 10 Al 3.6015017 0.5463295 0.0000000 0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 11 Al 2.6922913 -0.3487884 0.0000000 -0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 12 Al 2.6922913 -0.3487884 0.0000000 -0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 13 Al 3.6015017 -0.5463295 0.0000000 -0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 14 Al 2.6922913 0.3487884 0.0000000 0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 15 Al 2.6922913 0.3487884 0.0000000 0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 16 Al 3.3108221 -0.1427228 0.0000000 -0.8189053 4.0530560 0.0000000 0.0000000 0.0000000 3.0972220 17 O -2.0969141 1.0897696 0.0000000 1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 18 O -1.7291595 0.5157497 0.0000000 0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 19 O -2.3709035 -0.1432159 0.0000000 -0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 20 O -1.6672422 -0.8202758 0.0000000 -0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 21 O -2.3709035 0.1432159 0.0000000 0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 22 O -2.3709035 0.1432159 0.0000000 0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 23 O -2.0969141 -1.0897696 0.0000000 -1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 24 O -1.7291595 0.5157497 0.0000000 0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 25 O -1.7291595 -0.5157497 0.0000000 -0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 26 O -1.6672422 0.8202758 0.0000000 0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 27 O -1.6672422 0.8202758 0.0000000 0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 28 O -2.1923069 -0.1542836 0.0000000 -0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 29 O -2.0857075 -0.3057071 0.0000000 -0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 30 O -2.1923069 -0.1542836 0.0000000 -0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 31 O -1.6672422 -0.8202758 0.0000000 -0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 32 O -2.1923069 0.1542836 0.0000000 0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 33 O -2.0969141 -1.0897696 0.0000000 -1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 34 O -2.0857075 0.3057071 0.0000000 0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 35 O -2.0969141 1.0897696 0.0000000 1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 36 O -2.0857075 0.3057071 0.0000000 0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 37 O -1.7291595 -0.5157497 0.0000000 -0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 38 O -2.0857075 -0.3057071 0.0000000 -0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 39 O -2.1923069 0.1542836 0.0000000 0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 40 O -2.3709035 -0.1432159 0.0000000 -0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 ---------------------------------------------------------------------------- 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: 21900/21900 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2932 Number of blocks in projector: 2932 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: 808 Use submatrix version of eigh solver. (1) Block: 500 / 808 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 808 / 808 (1) 291 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 444 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 444 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 444 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 396 Use standard eigh solver. Tree of FC basis block matrices: - (2932, 2877), data: False |-- (396, 396), data: True |-- (396, 396), data: True |-- (444, 433), data: True |-- (444, 433), data: True |-- (444, 433), data: True |-- (808, 786), data: False |-- (808, 17), data: (808, 39) @ (39, 17) |-- (308, 291), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 0.771 Solver_block: 200 / 640 - Time: 0.680 Solver_block: 300 / 640 - Time: 0.681 Solver_block: 400 / 640 - Time: 0.684 Solver_block: 500 / 640 - Time: 0.684 Solver_block: 600 / 640 - Time: 0.680 Solver_block: 640 / 640 - Time: 0.365 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.670 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) Permutation basis: 360/360 Permutation basis: 21900/21900 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2932 Number of blocks in projector: 2932 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: 808 Use submatrix version of eigh solver. (1) Block: 500 / 808 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 808 / 808 (1) 291 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 444 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 444 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 444 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 396 Use standard eigh solver. Tree of FC basis block matrices: - (2932, 2877), data: False |-- (396, 396), data: True |-- (396, 396), data: True |-- (444, 433), data: True |-- (444, 433), data: True |-- (444, 433), data: True |-- (808, 786), data: False |-- (808, 17), data: (808, 39) @ (39, 17) |-- (308, 291), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xy) 0.00000000 (xy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:06:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:06:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.087653230000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.384196960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 2.918033820000000 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 3 Ti 0.73284008503056 0.35701865632175 0.50000000000000 47.867 4 Ti 0.26715991496944 0.64298134367825 0.50000000000000 47.867 5 Ti 0.76715991496944 0.85701865632175 0.50000000000000 47.867 6 Ti 0.23284008503056 0.14298134367825 0.50000000000000 47.867 7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.48670060345641 0.80156110422559 0.00000000000000 26.982 9 Al 0.01329939654359 0.30156110422559 0.00000000000000 26.982 10 Al 0.51329939654359 0.19843889577441 0.00000000000000 26.982 11 Al 0.18801414757661 0.85303894971110 0.50000000000000 26.982 12 Al 0.81198585242339 0.14696105028890 0.50000000000000 26.982 13 Al 0.98670060345641 0.69843889577441 0.00000000000000 26.982 14 Al 0.68801414757661 0.64696105028890 0.50000000000000 26.982 15 Al 0.31198585242339 0.35303894971110 0.50000000000000 26.982 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 17 O 0.39237880867888 0.55076453155046 0.50000000000000 15.999 18 O 0.13169549687411 0.90609597555783 0.00000000000000 15.999 19 O 0.11663822289139 0.35277441773147 0.50000000000000 15.999 20 O 0.35834412611717 0.70542641667806 0.00000000000000 15.999 21 O 0.38336177710861 0.85277441773147 0.50000000000000 15.999 22 O 0.61663822289139 0.14722558226853 0.50000000000000 15.999 23 O 0.10762119132112 0.05076453155046 0.50000000000000 15.999 24 O 0.86830450312589 0.09390402444217 0.00000000000000 15.999 25 O 0.63169549687411 0.59390402444217 0.00000000000000 15.999 26 O 0.85834412611717 0.79457358332194 0.00000000000000 15.999 27 O 0.14165587388283 0.20542641667806 0.00000000000000 15.999 28 O 0.13159835181086 0.60526636940622 0.00000000000000 15.999 29 O 0.60492629254219 0.75307365399274 0.50000000000000 15.999 30 O 0.86840164818914 0.39473363059378 0.00000000000000 15.999 31 O 0.64165587388283 0.29457358332194 0.00000000000000 15.999 32 O 0.63159835181086 0.89473363059378 0.00000000000000 15.999 33 O 0.89237880867888 0.94923546844954 0.50000000000000 15.999 34 O 0.10492629254219 0.74692634600726 0.50000000000000 15.999 35 O 0.60762119132112 0.44923546844954 0.50000000000000 15.999 36 O 0.89507370745781 0.25307365399274 0.50000000000000 15.999 37 O 0.36830450312589 0.40609597555783 0.00000000000000 15.999 38 O 0.39507370745781 0.24692634600726 0.50000000000000 15.999 39 O 0.36840164818914 0.10526636940622 0.00000000000000 15.999 40 O 0.88336177710861 0.64722558226853 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.087653230000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.384196960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.754101459999999 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.16666666666667 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.50000000000000 0.00000000000000 0.83333333333333 22.990 > 1 4 Na 0.00000000000000 0.50000000000000 0.16666666666667 22.990 > 4 5 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 4 6 Na 0.00000000000000 0.50000000000000 0.83333333333333 22.990 > 4 7 Ti 0.73284008503056 0.35701865632175 0.16666666666667 47.867 > 7 8 Ti 0.73284008503056 0.35701865632175 0.50000000000000 47.867 > 7 9 Ti 0.73284008503056 0.35701865632175 0.83333333333333 47.867 > 7 10 Ti 0.26715991496944 0.64298134367825 0.16666666666667 47.867 > 10 11 Ti 0.26715991496944 0.64298134367825 0.50000000000000 47.867 > 10 12 Ti 0.26715991496944 0.64298134367825 0.83333333333333 47.867 > 10 13 Ti 0.76715991496944 0.85701865632175 0.16666666666667 47.867 > 13 14 Ti 0.76715991496944 0.85701865632175 0.50000000000000 47.867 > 13 15 Ti 0.76715991496944 0.85701865632175 0.83333333333333 47.867 > 13 16 Ti 0.23284008503056 0.14298134367825 0.16666666666667 47.867 > 16 17 Ti 0.23284008503056 0.14298134367825 0.50000000000000 47.867 > 16 18 Ti 0.23284008503056 0.14298134367825 0.83333333333333 47.867 > 16 19 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 19 20 Al 0.00000000000000 0.00000000000000 0.33333333333333 26.982 > 19 21 Al 0.00000000000000 0.00000000000000 0.66666666666667 26.982 > 19 22 Al 0.48670060345641 0.80156110422559 0.00000000000000 26.982 > 22 23 Al 0.48670060345641 0.80156110422559 0.33333333333333 26.982 > 22 24 Al 0.48670060345641 0.80156110422559 0.66666666666667 26.982 > 22 25 Al 0.01329939654359 0.30156110422559 0.00000000000000 26.982 > 25 26 Al 0.01329939654359 0.30156110422559 0.33333333333333 26.982 > 25 27 Al 0.01329939654359 0.30156110422559 0.66666666666667 26.982 > 25 28 Al 0.51329939654359 0.19843889577441 0.00000000000000 26.982 > 28 29 Al 0.51329939654359 0.19843889577441 0.33333333333333 26.982 > 28 30 Al 0.51329939654359 0.19843889577441 0.66666666666667 26.982 > 28 31 Al 0.18801414757661 0.85303894971110 0.16666666666667 26.982 > 31 32 Al 0.18801414757661 0.85303894971110 0.50000000000000 26.982 > 31 33 Al 0.18801414757661 0.85303894971110 0.83333333333333 26.982 > 31 34 Al 0.81198585242339 0.14696105028890 0.16666666666667 26.982 > 34 35 Al 0.81198585242339 0.14696105028890 0.50000000000000 26.982 > 34 36 Al 0.81198585242339 0.14696105028890 0.83333333333333 26.982 > 34 37 Al 0.98670060345641 0.69843889577441 0.00000000000000 26.982 > 37 38 Al 0.98670060345641 0.69843889577441 0.33333333333333 26.982 > 37 39 Al 0.98670060345641 0.69843889577441 0.66666666666667 26.982 > 37 40 Al 0.68801414757661 0.64696105028890 0.16666666666667 26.982 > 40 41 Al 0.68801414757661 0.64696105028890 0.50000000000000 26.982 > 40 42 Al 0.68801414757661 0.64696105028890 0.83333333333333 26.982 > 40 43 Al 0.31198585242339 0.35303894971110 0.16666666666667 26.982 > 43 44 Al 0.31198585242339 0.35303894971110 0.50000000000000 26.982 > 43 45 Al 0.31198585242339 0.35303894971110 0.83333333333333 26.982 > 43 46 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 46 47 Al 0.50000000000000 0.50000000000000 0.33333333333333 26.982 > 46 48 Al 0.50000000000000 0.50000000000000 0.66666666666667 26.982 > 46 49 O 0.39237880867888 0.55076453155046 0.16666666666667 15.999 > 49 50 O 0.39237880867888 0.55076453155046 0.50000000000000 15.999 > 49 51 O 0.39237880867888 0.55076453155046 0.83333333333333 15.999 > 49 52 O 0.13169549687411 0.90609597555783 0.00000000000000 15.999 > 52 53 O 0.13169549687411 0.90609597555783 0.33333333333333 15.999 > 52 54 O 0.13169549687411 0.90609597555783 0.66666666666667 15.999 > 52 55 O 0.11663822289139 0.35277441773147 0.16666666666667 15.999 > 55 56 O 0.11663822289139 0.35277441773147 0.50000000000000 15.999 > 55 57 O 0.11663822289139 0.35277441773147 0.83333333333333 15.999 > 55 58 O 0.35834412611717 0.70542641667806 0.00000000000000 15.999 > 58 59 O 0.35834412611717 0.70542641667806 0.33333333333333 15.999 > 58 60 O 0.35834412611717 0.70542641667806 0.66666666666667 15.999 > 58 61 O 0.38336177710861 0.85277441773147 0.16666666666667 15.999 > 61 62 O 0.38336177710861 0.85277441773147 0.50000000000000 15.999 > 61 63 O 0.38336177710861 0.85277441773147 0.83333333333333 15.999 > 61 64 O 0.61663822289139 0.14722558226853 0.16666666666667 15.999 > 64 65 O 0.61663822289139 0.14722558226853 0.50000000000000 15.999 > 64 66 O 0.61663822289139 0.14722558226853 0.83333333333333 15.999 > 64 67 O 0.10762119132112 0.05076453155046 0.16666666666667 15.999 > 67 68 O 0.10762119132112 0.05076453155046 0.50000000000000 15.999 > 67 69 O 0.10762119132112 0.05076453155046 0.83333333333333 15.999 > 67 70 O 0.86830450312589 0.09390402444217 0.00000000000000 15.999 > 70 71 O 0.86830450312589 0.09390402444217 0.33333333333333 15.999 > 70 72 O 0.86830450312589 0.09390402444217 0.66666666666667 15.999 > 70 73 O 0.63169549687411 0.59390402444217 0.00000000000000 15.999 > 73 74 O 0.63169549687411 0.59390402444217 0.33333333333333 15.999 > 73 75 O 0.63169549687411 0.59390402444217 0.66666666666667 15.999 > 73 76 O 0.85834412611717 0.79457358332194 0.00000000000000 15.999 > 76 77 O 0.85834412611717 0.79457358332194 0.33333333333333 15.999 > 76 78 O 0.85834412611717 0.79457358332194 0.66666666666667 15.999 > 76 79 O 0.14165587388283 0.20542641667806 0.00000000000000 15.999 > 79 80 O 0.14165587388283 0.20542641667806 0.33333333333333 15.999 > 79 81 O 0.14165587388283 0.20542641667806 0.66666666666667 15.999 > 79 82 O 0.13159835181086 0.60526636940622 0.00000000000000 15.999 > 82 83 O 0.13159835181086 0.60526636940622 0.33333333333333 15.999 > 82 84 O 0.13159835181086 0.60526636940622 0.66666666666667 15.999 > 82 85 O 0.60492629254219 0.75307365399274 0.16666666666667 15.999 > 85 86 O 0.60492629254219 0.75307365399274 0.50000000000000 15.999 > 85 87 O 0.60492629254219 0.75307365399274 0.83333333333333 15.999 > 85 88 O 0.86840164818914 0.39473363059378 0.00000000000000 15.999 > 88 89 O 0.86840164818914 0.39473363059378 0.33333333333333 15.999 > 88 90 O 0.86840164818914 0.39473363059378 0.66666666666667 15.999 > 88 91 O 0.64165587388283 0.29457358332194 0.00000000000000 15.999 > 91 92 O 0.64165587388283 0.29457358332194 0.33333333333333 15.999 > 91 93 O 0.64165587388283 0.29457358332194 0.66666666666667 15.999 > 91 94 O 0.63159835181086 0.89473363059378 0.00000000000000 15.999 > 94 95 O 0.63159835181086 0.89473363059378 0.33333333333333 15.999 > 94 96 O 0.63159835181086 0.89473363059378 0.66666666666667 15.999 > 94 97 O 0.89237880867888 0.94923546844954 0.16666666666667 15.999 > 97 98 O 0.89237880867888 0.94923546844954 0.50000000000000 15.999 > 97 99 O 0.89237880867888 0.94923546844954 0.83333333333333 15.999 > 97 100 O 0.10492629254219 0.74692634600726 0.16666666666667 15.999 > 100 101 O 0.10492629254219 0.74692634600726 0.50000000000000 15.999 > 100 102 O 0.10492629254219 0.74692634600726 0.83333333333333 15.999 > 100 103 O 0.60762119132112 0.44923546844954 0.16666666666667 15.999 > 103 104 O 0.60762119132112 0.44923546844954 0.50000000000000 15.999 > 103 105 O 0.60762119132112 0.44923546844954 0.83333333333333 15.999 > 103 106 O 0.89507370745781 0.25307365399274 0.16666666666667 15.999 > 106 107 O 0.89507370745781 0.25307365399274 0.50000000000000 15.999 > 106 108 O 0.89507370745781 0.25307365399274 0.83333333333333 15.999 > 106 109 O 0.36830450312589 0.40609597555783 0.00000000000000 15.999 > 109 110 O 0.36830450312589 0.40609597555783 0.33333333333333 15.999 > 109 111 O 0.36830450312589 0.40609597555783 0.66666666666667 15.999 > 109 112 O 0.39507370745781 0.24692634600726 0.16666666666667 15.999 > 112 113 O 0.39507370745781 0.24692634600726 0.50000000000000 15.999 > 112 114 O 0.39507370745781 0.24692634600726 0.83333333333333 15.999 > 112 115 O 0.36840164818914 0.10526636940622 0.00000000000000 15.999 > 115 116 O 0.36840164818914 0.10526636940622 0.33333333333333 15.999 > 115 117 O 0.36840164818914 0.10526636940622 0.66666666666667 15.999 > 115 118 O 0.88336177710861 0.64722558226853 0.16666666666667 15.999 > 118 119 O 0.88336177710861 0.64722558226853 0.50000000000000 15.999 > 118 120 O 0.88336177710861 0.64722558226853 0.83333333333333 15.999 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6857756 0.0000000 0.0000000 0.0000000 3.5987838 0.0000000 0.0000000 0.0000000 4.4913219 -------------------------- Born effective charges -------------------------- 1 Na 1.2761475 -0.3922190 0.0000000 -0.1093108 1.4942072 0.0000000 0.0000000 0.0000000 0.9909533 2 Na 1.2761475 0.3922190 0.0000000 0.1093108 1.4942072 0.0000000 0.0000000 0.0000000 0.9909533 3 Ti 3.5549557 -0.5335110 0.0000000 -0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 4 Ti 3.5549557 -0.5335110 0.0000000 -0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 5 Ti 3.5549557 0.5335110 0.0000000 0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 6 Ti 3.5549557 0.5335110 0.0000000 0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 7 Al 3.3108221 0.1427228 0.0000000 0.8189053 4.0530560 0.0000000 0.0000000 0.0000000 3.0972220 8 Al 3.6015017 0.5463295 0.0000000 0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 9 Al 3.6015017 -0.5463295 0.0000000 -0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 10 Al 3.6015017 0.5463295 0.0000000 0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 11 Al 2.6922913 -0.3487884 0.0000000 -0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 12 Al 2.6922913 -0.3487884 0.0000000 -0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 13 Al 3.6015017 -0.5463295 0.0000000 -0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 14 Al 2.6922913 0.3487884 0.0000000 0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 15 Al 2.6922913 0.3487884 0.0000000 0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 16 Al 3.3108221 -0.1427228 0.0000000 -0.8189053 4.0530560 0.0000000 0.0000000 0.0000000 3.0972220 17 O -2.0969141 1.0897696 0.0000000 1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 18 O -1.7291595 0.5157497 0.0000000 0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 19 O -2.3709035 -0.1432159 0.0000000 -0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 20 O -1.6672422 -0.8202758 0.0000000 -0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 21 O -2.3709035 0.1432159 0.0000000 0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 22 O -2.3709035 0.1432159 0.0000000 0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 23 O -2.0969141 -1.0897696 0.0000000 -1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 24 O -1.7291595 0.5157497 0.0000000 0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 25 O -1.7291595 -0.5157497 0.0000000 -0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 26 O -1.6672422 0.8202758 0.0000000 0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 27 O -1.6672422 0.8202758 0.0000000 0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 28 O -2.1923069 -0.1542836 0.0000000 -0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 29 O -2.0857075 -0.3057071 0.0000000 -0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 30 O -2.1923069 -0.1542836 0.0000000 -0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 31 O -1.6672422 -0.8202758 0.0000000 -0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 32 O -2.1923069 0.1542836 0.0000000 0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 33 O -2.0969141 -1.0897696 0.0000000 -1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 34 O -2.0857075 0.3057071 0.0000000 0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 35 O -2.0969141 1.0897696 0.0000000 1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 36 O -2.0857075 0.3057071 0.0000000 0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 37 O -1.7291595 -0.5157497 0.0000000 -0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 38 O -2.0857075 -0.3057071 0.0000000 -0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 39 O -2.1923069 0.1542836 0.0000000 0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 40 O -2.3709035 -0.1432159 0.0000000 -0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 22, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 52, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 58, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:06:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:06:37]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.087653230000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.384196960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 2.918033820000000 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 3 Ti 0.73284008503056 0.35701865632175 0.50000000000000 47.867 4 Ti 0.26715991496944 0.64298134367825 0.50000000000000 47.867 5 Ti 0.76715991496944 0.85701865632175 0.50000000000000 47.867 6 Ti 0.23284008503056 0.14298134367825 0.50000000000000 47.867 7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.48670060345641 0.80156110422559 0.00000000000000 26.982 9 Al 0.01329939654359 0.30156110422559 0.00000000000000 26.982 10 Al 0.51329939654359 0.19843889577441 0.00000000000000 26.982 11 Al 0.18801414757661 0.85303894971110 0.50000000000000 26.982 12 Al 0.81198585242339 0.14696105028890 0.50000000000000 26.982 13 Al 0.98670060345641 0.69843889577441 0.00000000000000 26.982 14 Al 0.68801414757661 0.64696105028890 0.50000000000000 26.982 15 Al 0.31198585242339 0.35303894971110 0.50000000000000 26.982 16 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 17 O 0.39237880867888 0.55076453155046 0.50000000000000 15.999 18 O 0.13169549687411 0.90609597555783 0.00000000000000 15.999 19 O 0.11663822289139 0.35277441773147 0.50000000000000 15.999 20 O 0.35834412611717 0.70542641667806 0.00000000000000 15.999 21 O 0.38336177710861 0.85277441773147 0.50000000000000 15.999 22 O 0.61663822289139 0.14722558226853 0.50000000000000 15.999 23 O 0.10762119132112 0.05076453155046 0.50000000000000 15.999 24 O 0.86830450312589 0.09390402444217 0.00000000000000 15.999 25 O 0.63169549687411 0.59390402444217 0.00000000000000 15.999 26 O 0.85834412611717 0.79457358332194 0.00000000000000 15.999 27 O 0.14165587388283 0.20542641667806 0.00000000000000 15.999 28 O 0.13159835181086 0.60526636940622 0.00000000000000 15.999 29 O 0.60492629254219 0.75307365399274 0.50000000000000 15.999 30 O 0.86840164818914 0.39473363059378 0.00000000000000 15.999 31 O 0.64165587388283 0.29457358332194 0.00000000000000 15.999 32 O 0.63159835181086 0.89473363059378 0.00000000000000 15.999 33 O 0.89237880867888 0.94923546844954 0.50000000000000 15.999 34 O 0.10492629254219 0.74692634600726 0.50000000000000 15.999 35 O 0.60762119132112 0.44923546844954 0.50000000000000 15.999 36 O 0.89507370745781 0.25307365399274 0.50000000000000 15.999 37 O 0.36830450312589 0.40609597555783 0.00000000000000 15.999 38 O 0.39507370745781 0.24692634600726 0.50000000000000 15.999 39 O 0.36840164818914 0.10526636940622 0.00000000000000 15.999 40 O 0.88336177710861 0.64722558226853 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.087653230000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.384196960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.754101459999999 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.16666666666667 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.50000000000000 0.00000000000000 0.83333333333333 22.990 > 1 4 Na 0.00000000000000 0.50000000000000 0.16666666666667 22.990 > 4 5 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 4 6 Na 0.00000000000000 0.50000000000000 0.83333333333333 22.990 > 4 7 Ti 0.73284008503056 0.35701865632175 0.16666666666667 47.867 > 7 8 Ti 0.73284008503056 0.35701865632175 0.50000000000000 47.867 > 7 9 Ti 0.73284008503056 0.35701865632175 0.83333333333333 47.867 > 7 10 Ti 0.26715991496944 0.64298134367825 0.16666666666667 47.867 > 10 11 Ti 0.26715991496944 0.64298134367825 0.50000000000000 47.867 > 10 12 Ti 0.26715991496944 0.64298134367825 0.83333333333333 47.867 > 10 13 Ti 0.76715991496944 0.85701865632175 0.16666666666667 47.867 > 13 14 Ti 0.76715991496944 0.85701865632175 0.50000000000000 47.867 > 13 15 Ti 0.76715991496944 0.85701865632175 0.83333333333333 47.867 > 13 16 Ti 0.23284008503056 0.14298134367825 0.16666666666667 47.867 > 16 17 Ti 0.23284008503056 0.14298134367825 0.50000000000000 47.867 > 16 18 Ti 0.23284008503056 0.14298134367825 0.83333333333333 47.867 > 16 19 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 19 20 Al 0.00000000000000 0.00000000000000 0.33333333333333 26.982 > 19 21 Al 0.00000000000000 0.00000000000000 0.66666666666667 26.982 > 19 22 Al 0.48670060345641 0.80156110422559 0.00000000000000 26.982 > 22 23 Al 0.48670060345641 0.80156110422559 0.33333333333333 26.982 > 22 24 Al 0.48670060345641 0.80156110422559 0.66666666666667 26.982 > 22 25 Al 0.01329939654359 0.30156110422559 0.00000000000000 26.982 > 25 26 Al 0.01329939654359 0.30156110422559 0.33333333333333 26.982 > 25 27 Al 0.01329939654359 0.30156110422559 0.66666666666667 26.982 > 25 28 Al 0.51329939654359 0.19843889577441 0.00000000000000 26.982 > 28 29 Al 0.51329939654359 0.19843889577441 0.33333333333333 26.982 > 28 30 Al 0.51329939654359 0.19843889577441 0.66666666666667 26.982 > 28 31 Al 0.18801414757661 0.85303894971110 0.16666666666667 26.982 > 31 32 Al 0.18801414757661 0.85303894971110 0.50000000000000 26.982 > 31 33 Al 0.18801414757661 0.85303894971110 0.83333333333333 26.982 > 31 34 Al 0.81198585242339 0.14696105028890 0.16666666666667 26.982 > 34 35 Al 0.81198585242339 0.14696105028890 0.50000000000000 26.982 > 34 36 Al 0.81198585242339 0.14696105028890 0.83333333333333 26.982 > 34 37 Al 0.98670060345641 0.69843889577441 0.00000000000000 26.982 > 37 38 Al 0.98670060345641 0.69843889577441 0.33333333333333 26.982 > 37 39 Al 0.98670060345641 0.69843889577441 0.66666666666667 26.982 > 37 40 Al 0.68801414757661 0.64696105028890 0.16666666666667 26.982 > 40 41 Al 0.68801414757661 0.64696105028890 0.50000000000000 26.982 > 40 42 Al 0.68801414757661 0.64696105028890 0.83333333333333 26.982 > 40 43 Al 0.31198585242339 0.35303894971110 0.16666666666667 26.982 > 43 44 Al 0.31198585242339 0.35303894971110 0.50000000000000 26.982 > 43 45 Al 0.31198585242339 0.35303894971110 0.83333333333333 26.982 > 43 46 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 46 47 Al 0.50000000000000 0.50000000000000 0.33333333333333 26.982 > 46 48 Al 0.50000000000000 0.50000000000000 0.66666666666667 26.982 > 46 49 O 0.39237880867888 0.55076453155046 0.16666666666667 15.999 > 49 50 O 0.39237880867888 0.55076453155046 0.50000000000000 15.999 > 49 51 O 0.39237880867888 0.55076453155046 0.83333333333333 15.999 > 49 52 O 0.13169549687411 0.90609597555783 0.00000000000000 15.999 > 52 53 O 0.13169549687411 0.90609597555783 0.33333333333333 15.999 > 52 54 O 0.13169549687411 0.90609597555783 0.66666666666667 15.999 > 52 55 O 0.11663822289139 0.35277441773147 0.16666666666667 15.999 > 55 56 O 0.11663822289139 0.35277441773147 0.50000000000000 15.999 > 55 57 O 0.11663822289139 0.35277441773147 0.83333333333333 15.999 > 55 58 O 0.35834412611717 0.70542641667806 0.00000000000000 15.999 > 58 59 O 0.35834412611717 0.70542641667806 0.33333333333333 15.999 > 58 60 O 0.35834412611717 0.70542641667806 0.66666666666667 15.999 > 58 61 O 0.38336177710861 0.85277441773147 0.16666666666667 15.999 > 61 62 O 0.38336177710861 0.85277441773147 0.50000000000000 15.999 > 61 63 O 0.38336177710861 0.85277441773147 0.83333333333333 15.999 > 61 64 O 0.61663822289139 0.14722558226853 0.16666666666667 15.999 > 64 65 O 0.61663822289139 0.14722558226853 0.50000000000000 15.999 > 64 66 O 0.61663822289139 0.14722558226853 0.83333333333333 15.999 > 64 67 O 0.10762119132112 0.05076453155046 0.16666666666667 15.999 > 67 68 O 0.10762119132112 0.05076453155046 0.50000000000000 15.999 > 67 69 O 0.10762119132112 0.05076453155046 0.83333333333333 15.999 > 67 70 O 0.86830450312589 0.09390402444217 0.00000000000000 15.999 > 70 71 O 0.86830450312589 0.09390402444217 0.33333333333333 15.999 > 70 72 O 0.86830450312589 0.09390402444217 0.66666666666667 15.999 > 70 73 O 0.63169549687411 0.59390402444217 0.00000000000000 15.999 > 73 74 O 0.63169549687411 0.59390402444217 0.33333333333333 15.999 > 73 75 O 0.63169549687411 0.59390402444217 0.66666666666667 15.999 > 73 76 O 0.85834412611717 0.79457358332194 0.00000000000000 15.999 > 76 77 O 0.85834412611717 0.79457358332194 0.33333333333333 15.999 > 76 78 O 0.85834412611717 0.79457358332194 0.66666666666667 15.999 > 76 79 O 0.14165587388283 0.20542641667806 0.00000000000000 15.999 > 79 80 O 0.14165587388283 0.20542641667806 0.33333333333333 15.999 > 79 81 O 0.14165587388283 0.20542641667806 0.66666666666667 15.999 > 79 82 O 0.13159835181086 0.60526636940622 0.00000000000000 15.999 > 82 83 O 0.13159835181086 0.60526636940622 0.33333333333333 15.999 > 82 84 O 0.13159835181086 0.60526636940622 0.66666666666667 15.999 > 82 85 O 0.60492629254219 0.75307365399274 0.16666666666667 15.999 > 85 86 O 0.60492629254219 0.75307365399274 0.50000000000000 15.999 > 85 87 O 0.60492629254219 0.75307365399274 0.83333333333333 15.999 > 85 88 O 0.86840164818914 0.39473363059378 0.00000000000000 15.999 > 88 89 O 0.86840164818914 0.39473363059378 0.33333333333333 15.999 > 88 90 O 0.86840164818914 0.39473363059378 0.66666666666667 15.999 > 88 91 O 0.64165587388283 0.29457358332194 0.00000000000000 15.999 > 91 92 O 0.64165587388283 0.29457358332194 0.33333333333333 15.999 > 91 93 O 0.64165587388283 0.29457358332194 0.66666666666667 15.999 > 91 94 O 0.63159835181086 0.89473363059378 0.00000000000000 15.999 > 94 95 O 0.63159835181086 0.89473363059378 0.33333333333333 15.999 > 94 96 O 0.63159835181086 0.89473363059378 0.66666666666667 15.999 > 94 97 O 0.89237880867888 0.94923546844954 0.16666666666667 15.999 > 97 98 O 0.89237880867888 0.94923546844954 0.50000000000000 15.999 > 97 99 O 0.89237880867888 0.94923546844954 0.83333333333333 15.999 > 97 100 O 0.10492629254219 0.74692634600726 0.16666666666667 15.999 > 100 101 O 0.10492629254219 0.74692634600726 0.50000000000000 15.999 > 100 102 O 0.10492629254219 0.74692634600726 0.83333333333333 15.999 > 100 103 O 0.60762119132112 0.44923546844954 0.16666666666667 15.999 > 103 104 O 0.60762119132112 0.44923546844954 0.50000000000000 15.999 > 103 105 O 0.60762119132112 0.44923546844954 0.83333333333333 15.999 > 103 106 O 0.89507370745781 0.25307365399274 0.16666666666667 15.999 > 106 107 O 0.89507370745781 0.25307365399274 0.50000000000000 15.999 > 106 108 O 0.89507370745781 0.25307365399274 0.83333333333333 15.999 > 106 109 O 0.36830450312589 0.40609597555783 0.00000000000000 15.999 > 109 110 O 0.36830450312589 0.40609597555783 0.33333333333333 15.999 > 109 111 O 0.36830450312589 0.40609597555783 0.66666666666667 15.999 > 109 112 O 0.39507370745781 0.24692634600726 0.16666666666667 15.999 > 112 113 O 0.39507370745781 0.24692634600726 0.50000000000000 15.999 > 112 114 O 0.39507370745781 0.24692634600726 0.83333333333333 15.999 > 112 115 O 0.36840164818914 0.10526636940622 0.00000000000000 15.999 > 115 116 O 0.36840164818914 0.10526636940622 0.33333333333333 15.999 > 115 117 O 0.36840164818914 0.10526636940622 0.66666666666667 15.999 > 115 118 O 0.88336177710861 0.64722558226853 0.16666666666667 15.999 > 118 119 O 0.88336177710861 0.64722558226853 0.50000000000000 15.999 > 118 120 O 0.88336177710861 0.64722558226853 0.83333333333333 15.999 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6857756 0.0000000 0.0000000 0.0000000 3.5987838 0.0000000 0.0000000 0.0000000 4.4913219 -------------------------- Born effective charges -------------------------- 1 Na 1.2761475 -0.3922190 0.0000000 -0.1093108 1.4942072 0.0000000 0.0000000 0.0000000 0.9909533 2 Na 1.2761475 0.3922190 0.0000000 0.1093108 1.4942072 0.0000000 0.0000000 0.0000000 0.9909533 3 Ti 3.5549557 -0.5335110 0.0000000 -0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 4 Ti 3.5549557 -0.5335110 0.0000000 -0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 5 Ti 3.5549557 0.5335110 0.0000000 0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 6 Ti 3.5549557 0.5335110 0.0000000 0.8724438 3.5155017 0.0000000 0.0000000 0.0000000 6.8267417 7 Al 3.3108221 0.1427228 0.0000000 0.8189053 4.0530560 0.0000000 0.0000000 0.0000000 3.0972220 8 Al 3.6015017 0.5463295 0.0000000 0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 9 Al 3.6015017 -0.5463295 0.0000000 -0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 10 Al 3.6015017 0.5463295 0.0000000 0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 11 Al 2.6922913 -0.3487884 0.0000000 -0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 12 Al 2.6922913 -0.3487884 0.0000000 -0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 13 Al 3.6015017 -0.5463295 0.0000000 -0.5675644 2.4189391 0.0000000 0.0000000 0.0000000 3.0641143 14 Al 2.6922913 0.3487884 0.0000000 0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 15 Al 2.6922913 0.3487884 0.0000000 0.3180103 2.7457260 0.0000000 0.0000000 0.0000000 2.6936576 16 Al 3.3108221 -0.1427228 0.0000000 -0.8189053 4.0530560 0.0000000 0.0000000 0.0000000 3.0972220 17 O -2.0969141 1.0897696 0.0000000 1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 18 O -1.7291595 0.5157497 0.0000000 0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 19 O -2.3709035 -0.1432159 0.0000000 -0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 20 O -1.6672422 -0.8202758 0.0000000 -0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 21 O -2.3709035 0.1432159 0.0000000 0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 22 O -2.3709035 0.1432159 0.0000000 0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 23 O -2.0969141 -1.0897696 0.0000000 -1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 24 O -1.7291595 0.5157497 0.0000000 0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 25 O -1.7291595 -0.5157497 0.0000000 -0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 26 O -1.6672422 0.8202758 0.0000000 0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 27 O -1.6672422 0.8202758 0.0000000 0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 28 O -2.1923069 -0.1542836 0.0000000 -0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 29 O -2.0857075 -0.3057071 0.0000000 -0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 30 O -2.1923069 -0.1542836 0.0000000 -0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 31 O -1.6672422 -0.8202758 0.0000000 -0.6861007 -1.8141470 0.0000000 0.0000000 0.0000000 -3.6265795 32 O -2.1923069 0.1542836 0.0000000 0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 33 O -2.0969141 -1.0897696 0.0000000 -1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 34 O -2.0857075 0.3057071 0.0000000 0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 35 O -2.0969141 1.0897696 0.0000000 1.4851459 -2.7697903 0.0000000 0.0000000 0.0000000 -1.6758593 36 O -2.0857075 0.3057071 0.0000000 0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 37 O -1.7291595 -0.5157497 0.0000000 -0.4060038 -2.0546748 0.0000000 0.0000000 0.0000000 -1.9826953 38 O -2.0857075 -0.3057071 0.0000000 -0.3713462 -2.0480048 0.0000000 0.0000000 0.0000000 -2.0111108 39 O -2.1923069 0.1542836 0.0000000 0.0181689 -1.2920043 0.0000000 0.0000000 0.0000000 -3.3621426 40 O -2.3709035 -0.1432159 0.0000000 -0.1157461 -1.4751774 0.0000000 0.0000000 0.0000000 -1.9702136 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) --------------------------- 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 ... [ 6 3 17 ] 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: 297, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 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 2.360 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 7.852 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 8.086 ( 0.000 0.000 0.000) 0.000 8.853 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.333 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 0.000 0.000) 0.000 10.013 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.508 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 0.000) 0.000 11.756 ( 0.000 0.000 0.000) 0.000 11.796 ( 0.000 0.000 0.000) 0.000 11.815 ( 0.000 0.000 0.000) 0.000 11.941 ( 0.000 0.000 0.000) 0.000 11.954 ( 0.000 0.000 0.000) 0.000 12.068 ( 0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 0.000) 0.000 12.971 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.339 ( 0.000 0.000 0.000) 0.000 13.496 ( 0.000 0.000 0.000) 0.000 13.590 ( 0.000 0.000 0.000) 0.000 13.824 ( 0.000 0.000 0.000) 0.000 14.102 ( 0.000 0.000 0.000) 0.000 14.231 ( 0.000 0.000 0.000) 0.000 14.241 ( 0.000 0.000 0.000) 0.000 14.271 ( 0.000 0.000 0.000) 0.000 14.275 ( 0.000 0.000 0.000) 0.000 14.321 ( 0.000 0.000 0.000) 0.000 14.491 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 14.612 ( 0.000 0.000 0.000) 0.000 14.690 ( 0.000 0.000 0.000) 0.000 14.801 ( 0.000 0.000 0.000) 0.000 14.828 ( 0.000 0.000 0.000) 0.000 15.640 ( 0.000 0.000 0.000) 0.000 15.730 ( 0.000 0.000 0.000) 0.000 16.138 ( 0.000 0.000 0.000) 0.000 16.262 ( 0.000 0.000 0.000) 0.000 16.453 ( 0.000 0.000 0.000) 0.000 16.610 ( 0.000 0.000 0.000) 0.000 17.196 ( 0.000 0.000 0.000) 0.000 18.022 ( 0.000 0.000 0.000) 0.000 18.153 ( 0.000 0.000 0.000) 0.000 18.330 ( 0.000 0.000 0.000) 0.000 18.909 ( 0.000 0.000 0.000) 0.000 19.926 ( 0.000 0.000 0.000) 0.000 20.008 ( 0.000 0.000 0.000) 0.000 20.481 ( 0.000 0.000 0.000) 0.000 20.694 ( 0.000 0.000 0.000) 0.000 20.827 ( 0.000 0.000 0.000) 0.000 20.983 ( 0.000 0.000 0.000) 0.000 21.665 ( 0.000 0.000 0.000) 0.000 22.120 ( 0.000 0.000 0.000) 0.000 22.551 ( 0.000 0.000 0.000) 0.000 22.733 ( 0.000 0.000 0.000) 0.000 22.842 ( 0.000 0.000 0.000) 0.000 23.143 ( 0.000 0.000 0.000) 0.000 23.353 ( 0.000 0.000 0.000) 0.000 23.597 ( 0.000 0.000 0.000) 0.000 23.632 ( 0.000 0.000 0.000) 0.000 24.424 ( 0.000 0.000 0.000) 0.000 24.426 ( 0.000 0.000 0.000) 0.000 24.459 ( 0.000 0.000 0.000) 0.000 24.459 ( 0.000 0.000 0.000) 0.000 25.123 ( 0.000 0.000 0.000) 0.000 25.220 ( 0.000 0.000 0.000) 0.000 25.715 ( 0.000 0.000 0.000) 0.000 26.834 ( 0.000 0.000 0.000) 0.000 27.009 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 47.819 0.000 0.000) 47.819 0.957 ( 51.067 0.000 0.000) 51.067 1.669 ( 89.345 0.000 0.000) 89.345 2.477 ( 11.983 0.000 0.000) 11.983 2.742 ( 21.865 0.000 0.000) 21.865 2.903 ( -0.671 0.000 0.000) 0.671 2.999 ( 0.151 0.000 0.000) 0.151 3.217 ( -0.845 0.000 0.000) 0.845 3.277 ( -19.045 0.000 0.000) 19.045 3.365 ( -3.712 0.000 0.000) 3.712 3.525 ( -9.185 0.000 0.000) 9.185 3.724 ( 7.266 0.000 0.000) 7.266 3.912 ( -0.654 0.000 0.000) 0.654 3.926 ( -20.290 0.000 0.000) 20.290 4.102 ( -5.053 0.000 0.000) 5.053 4.485 ( 3.582 0.000 0.000) 3.582 4.592 ( 31.751 0.000 0.000) 31.751 4.803 ( -22.903 0.000 0.000) 22.903 5.164 ( 5.892 0.000 0.000) 5.892 5.315 ( -0.972 0.000 0.000) 0.972 5.372 ( -20.890 0.000 0.000) 20.890 5.412 ( -18.026 0.000 0.000) 18.026 5.778 ( 9.063 0.000 0.000) 9.063 5.896 ( -10.705 0.000 0.000) 10.705 6.022 ( -9.248 0.000 0.000) 9.248 6.147 ( -13.238 0.000 0.000) 13.238 6.206 ( 17.818 0.000 0.000) 17.818 6.313 ( -3.316 0.000 0.000) 3.316 6.324 ( 12.966 0.000 0.000) 12.966 6.925 ( -0.775 0.000 0.000) 0.775 7.235 ( -24.663 0.000 0.000) 24.663 7.528 ( 1.864 0.000 0.000) 1.864 7.559 ( 11.289 0.000 0.000) 11.289 7.631 ( -7.555 0.000 0.000) 7.555 7.871 ( 1.528 0.000 0.000) 1.528 7.873 ( 2.887 0.000 0.000) 2.887 8.034 ( 1.390 0.000 0.000) 1.390 8.253 ( 17.769 0.000 0.000) 17.769 8.455 ( 18.906 0.000 0.000) 18.906 8.591 ( -29.476 0.000 0.000) 29.476 8.993 ( 3.321 0.000 0.000) 3.321 9.008 ( 3.921 0.000 0.000) 3.921 9.157 ( -18.437 0.000 0.000) 18.437 9.275 ( -1.825 0.000 0.000) 1.825 9.324 ( -0.798 0.000 0.000) 0.798 9.486 ( -2.845 0.000 0.000) 2.845 9.977 ( -1.684 0.000 0.000) 1.684 10.301 ( 9.214 0.000 0.000) 9.214 10.306 ( -12.840 0.000 0.000) 12.840 10.458 ( 6.490 0.000 0.000) 6.490 10.754 ( 10.140 0.000 0.000) 10.140 10.795 ( -1.234 0.000 0.000) 1.234 10.858 ( 17.323 0.000 0.000) 17.323 11.228 ( 1.104 0.000 0.000) 1.104 11.248 ( -0.499 0.000 0.000) 0.499 11.293 ( 0.024 0.000 0.000) 0.024 11.417 ( -4.394 0.000 0.000) 4.394 11.569 ( -20.608 0.000 0.000) 20.608 11.701 ( 1.415 0.000 0.000) 1.415 11.764 ( 0.818 0.000 0.000) 0.818 11.919 ( -2.256 0.000 0.000) 2.256 11.936 ( -1.929 0.000 0.000) 1.929 12.248 ( 20.421 0.000 0.000) 20.421 12.510 ( 22.907 0.000 0.000) 22.907 12.784 ( 11.412 0.000 0.000) 11.412 12.975 ( 0.512 0.000 0.000) 0.512 12.996 ( 0.619 0.000 0.000) 0.619 13.045 ( -0.641 0.000 0.000) 0.641 13.065 ( -0.546 0.000 0.000) 0.546 13.192 ( -18.381 0.000 0.000) 18.381 13.541 ( -21.429 0.000 0.000) 21.429 13.674 ( -10.622 0.000 0.000) 10.622 14.140 ( 3.299 0.000 0.000) 3.299 14.163 ( 8.042 0.000 0.000) 8.042 14.233 ( 0.194 0.000 0.000) 0.194 14.240 ( -0.011 0.000 0.000) 0.011 14.292 ( 1.790 0.000 0.000) 1.790 14.334 ( 1.465 0.000 0.000) 1.465 14.479 ( -1.359 0.000 0.000) 1.359 14.508 ( -1.321 0.000 0.000) 1.321 14.512 ( -0.820 0.000 0.000) 0.820 14.634 ( -4.738 0.000 0.000) 4.738 14.945 ( 13.154 0.000 0.000) 13.154 15.162 ( 11.538 0.000 0.000) 11.538 15.472 ( -8.736 0.000 0.000) 8.736 15.658 ( -24.605 0.000 0.000) 24.605 15.706 ( 8.737 0.000 0.000) 8.737 16.175 ( -16.912 0.000 0.000) 16.912 16.394 ( -2.650 0.000 0.000) 2.650 16.669 ( 7.448 0.000 0.000) 7.448 17.029 ( 11.732 0.000 0.000) 11.732 17.535 ( 25.633 0.000 0.000) 25.633 18.004 ( -2.801 0.000 0.000) 2.801 18.274 ( 13.808 0.000 0.000) 13.808 18.887 ( -3.777 0.000 0.000) 3.777 19.217 ( -5.390 0.000 0.000) 5.390 19.929 ( 0.371 0.000 0.000) 0.371 19.987 ( -1.930 0.000 0.000) 1.930 20.448 ( -3.440 0.000 0.000) 3.440 20.698 ( -9.612 0.000 0.000) 9.612 20.966 ( 9.476 0.000 0.000) 9.476 21.473 ( 10.919 0.000 0.000) 10.919 21.631 ( -3.582 0.000 0.000) 3.582 22.158 ( 4.491 0.000 0.000) 4.491 22.534 ( -13.149 0.000 0.000) 13.149 22.952 ( 1.813 0.000 0.000) 1.813 23.162 ( 1.743 0.000 0.000) 1.743 23.252 ( -9.090 0.000 0.000) 9.090 23.413 ( 5.494 0.000 0.000) 5.494 23.550 ( -6.615 0.000 0.000) 6.615 24.424 ( 0.017 0.000 0.000) 0.017 24.426 ( -0.021 0.000 0.000) 0.021 24.459 ( 0.002 0.000 0.000) 0.002 24.459 ( 0.003 0.000 0.000) 0.003 25.154 ( 3.258 0.000 0.000) 3.258 25.222 ( 0.205 0.000 0.000) 0.205 25.749 ( 3.662 0.000 0.000) 3.662 26.278 ( -4.502 0.000 0.000) 4.502 26.833 ( -0.095 0.000 0.000) 0.095 26.978 ( -3.141 0.000 0.000) 3.141 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 45.101 0.000 0.000) 45.101 1.847 ( 45.014 0.000 0.000) 45.014 2.753 ( 16.582 0.000 0.000) 16.582 2.860 ( -5.704 0.000 0.000) 5.704 3.006 ( 0.804 0.000 0.000) 0.804 3.032 ( -6.340 0.000 0.000) 6.340 3.066 ( 27.076 0.000 0.000) 27.076 3.149 ( -7.464 0.000 0.000) 7.464 3.182 ( -4.225 0.000 0.000) 4.225 3.257 ( -8.247 0.000 0.000) 8.247 3.328 ( 25.542 0.000 0.000) 25.542 3.651 ( 17.929 0.000 0.000) 17.929 3.897 ( -0.765 0.000 0.000) 0.765 3.912 ( 12.175 0.000 0.000) 12.175 3.980 ( -6.946 0.000 0.000) 6.946 4.475 ( -12.979 0.000 0.000) 12.979 4.590 ( 8.034 0.000 0.000) 8.034 4.696 ( -32.192 0.000 0.000) 32.192 5.069 ( -17.780 0.000 0.000) 17.780 5.105 ( -0.280 0.000 0.000) 0.280 5.233 ( 1.462 0.000 0.000) 1.462 5.458 ( 17.291 0.000 0.000) 17.291 5.725 ( -6.411 0.000 0.000) 6.411 5.831 ( -10.094 0.000 0.000) 10.094 5.862 ( 4.550 0.000 0.000) 4.550 5.934 ( -13.362 0.000 0.000) 13.362 6.237 ( -0.663 0.000 0.000) 0.663 6.550 ( 11.474 0.000 0.000) 11.474 6.645 ( -34.611 0.000 0.000) 34.611 6.714 ( 28.291 0.000 0.000) 28.291 6.872 ( -5.164 0.000 0.000) 5.164 7.380 ( -13.417 0.000 0.000) 13.417 7.560 ( -2.139 0.000 0.000) 2.139 7.773 ( -30.552 0.000 0.000) 30.552 7.779 ( 10.999 0.000 0.000) 10.999 7.855 ( -14.827 0.000 0.000) 14.827 7.928 ( 2.277 0.000 0.000) 2.277 7.993 ( -3.767 0.000 0.000) 3.767 8.588 ( 16.019 0.000 0.000) 16.019 8.927 ( 1.730 0.000 0.000) 1.730 8.995 ( 14.286 0.000 0.000) 14.286 9.068 ( 4.472 0.000 0.000) 4.472 9.174 ( 11.166 0.000 0.000) 11.166 9.224 ( -3.691 0.000 0.000) 3.691 9.317 ( 0.473 0.000 0.000) 0.473 9.420 ( -4.010 0.000 0.000) 4.010 9.991 ( 5.188 0.000 0.000) 5.188 10.181 ( -0.741 0.000 0.000) 0.741 10.458 ( 6.569 0.000 0.000) 6.569 10.562 ( -3.434 0.000 0.000) 3.434 10.803 ( 10.729 0.000 0.000) 10.729 10.819 ( -3.580 0.000 0.000) 3.580 11.016 ( 3.760 0.000 0.000) 3.760 11.119 ( -16.825 0.000 0.000) 16.825 11.254 ( 1.499 0.000 0.000) 1.499 11.291 ( -0.336 0.000 0.000) 0.336 11.295 ( -3.903 0.000 0.000) 3.903 11.466 ( 3.268 0.000 0.000) 3.268 11.740 ( 2.725 0.000 0.000) 2.725 11.788 ( 1.850 0.000 0.000) 1.850 11.864 ( -3.487 0.000 0.000) 3.487 11.888 ( -3.072 0.000 0.000) 3.072 12.585 ( 12.416 0.000 0.000) 12.416 12.752 ( -11.483 0.000 0.000) 11.483 12.828 ( 9.350 0.000 0.000) 9.350 12.989 ( 0.933 0.000 0.000) 0.933 13.011 ( 1.024 0.000 0.000) 1.024 13.029 ( -1.047 0.000 0.000) 1.047 13.051 ( -0.960 0.000 0.000) 0.960 13.078 ( -17.323 0.000 0.000) 17.323 13.149 ( 8.154 0.000 0.000) 8.154 13.451 ( -10.860 0.000 0.000) 10.860 14.237 ( 0.162 0.000 0.000) 0.162 14.240 ( -0.032 0.000 0.000) 0.032 14.336 ( 2.869 0.000 0.000) 2.869 14.354 ( 14.478 0.000 0.000) 14.478 14.373 ( 2.594 0.000 0.000) 2.594 14.376 ( 11.119 0.000 0.000) 11.119 14.443 ( -2.467 0.000 0.000) 2.467 14.474 ( -2.381 0.000 0.000) 2.381 14.594 ( 8.532 0.000 0.000) 8.532 14.606 ( 5.373 0.000 0.000) 5.373 14.923 ( -13.168 0.000 0.000) 13.168 15.087 ( -22.935 0.000 0.000) 22.935 15.391 ( 13.421 0.000 0.000) 13.421 15.425 ( -9.150 0.000 0.000) 9.150 15.681 ( -7.956 0.000 0.000) 7.956 16.229 ( 17.504 0.000 0.000) 17.504 16.239 ( -14.756 0.000 0.000) 14.756 16.638 ( -5.163 0.000 0.000) 5.163 17.371 ( 19.929 0.000 0.000) 19.929 17.878 ( -3.571 0.000 0.000) 3.571 18.002 ( 17.572 0.000 0.000) 17.572 18.614 ( 20.561 0.000 0.000) 20.561 18.715 ( -15.062 0.000 0.000) 15.062 19.114 ( -6.160 0.000 0.000) 6.160 19.941 ( 0.906 0.000 0.000) 0.906 19.958 ( -0.774 0.000 0.000) 0.774 20.375 ( -3.498 0.000 0.000) 3.498 20.504 ( -10.451 0.000 0.000) 10.451 21.174 ( 12.192 0.000 0.000) 12.192 21.536 ( -6.818 0.000 0.000) 6.818 21.730 ( 16.163 0.000 0.000) 16.163 22.293 ( -13.375 0.000 0.000) 13.375 22.298 ( 11.069 0.000 0.000) 11.069 22.855 ( -12.061 0.000 0.000) 12.061 23.089 ( -7.066 0.000 0.000) 7.066 23.105 ( -6.905 0.000 0.000) 6.905 23.521 ( 5.251 0.000 0.000) 5.251 23.523 ( 3.532 0.000 0.000) 3.532 24.424 ( 0.031 0.000 0.000) 0.031 24.426 ( -0.034 0.000 0.000) 0.034 24.459 ( 0.002 0.000 0.000) 0.002 24.459 ( 0.003 0.000 0.000) 0.003 25.206 ( 1.935 0.000 0.000) 1.935 25.226 ( 0.149 0.000 0.000) 0.149 25.848 ( 7.096 0.000 0.000) 7.096 26.161 ( -7.993 0.000 0.000) 7.993 26.836 ( 0.569 0.000 0.000) 0.569 26.912 ( -3.545 0.000 0.000) 3.545 ======================= Grid point 3 (4/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -41.128 0.000 0.000) 41.128 2.539 ( 41.128 0.000 0.000) 41.128 2.554 ( -29.723 0.000 0.000) 29.723 2.554 ( 29.723 0.000 0.000) 29.723 3.012 ( -7.470 0.000 0.000) 7.470 3.012 ( 7.470 0.000 0.000) 7.470 3.047 ( -6.856 0.000 0.000) 6.856 3.047 ( 6.856 0.000 0.000) 6.856 3.068 ( -9.936 0.000 0.000) 9.936 3.068 ( 9.936 0.000 0.000) 9.936 3.899 ( -1.642 0.000 0.000) 1.642 3.899 ( 1.642 0.000 0.000) 1.642 4.010 ( -36.385 0.000 0.000) 36.385 4.010 ( 36.385 0.000 0.000) 36.385 4.137 ( -7.505 0.000 0.000) 7.505 4.137 ( 7.505 0.000 0.000) 7.505 4.784 ( -13.144 0.000 0.000) 13.144 4.784 ( 13.144 0.000 0.000) 13.144 4.795 ( -46.630 0.000 0.000) 46.630 4.795 ( 46.630 0.000 0.000) 46.630 5.318 ( -14.766 0.000 0.000) 14.766 5.318 ( 14.766 0.000 0.000) 14.766 5.697 ( -3.493 0.000 0.000) 3.493 5.697 ( 3.493 0.000 0.000) 3.493 5.885 ( -4.479 0.000 0.000) 4.479 5.885 ( 4.479 0.000 0.000) 4.479 6.291 ( -6.166 0.000 0.000) 6.166 6.291 ( 6.166 0.000 0.000) 6.166 6.740 ( -9.004 0.000 0.000) 9.004 6.740 ( 9.004 0.000 0.000) 9.004 7.130 ( -15.443 0.000 0.000) 15.443 7.130 ( 15.443 0.000 0.000) 15.443 7.448 ( -0.374 0.000 0.000) 0.374 7.448 ( 0.374 0.000 0.000) 0.374 7.849 ( -10.696 0.000 0.000) 10.696 7.849 ( 10.696 0.000 0.000) 10.696 7.920 ( -3.879 0.000 0.000) 3.879 7.920 ( 3.879 0.000 0.000) 3.879 8.801 ( -8.009 0.000 0.000) 8.009 8.801 ( 8.009 0.000 0.000) 8.009 9.149 ( -4.277 0.000 0.000) 4.277 9.149 ( 4.277 0.000 0.000) 4.277 9.263 ( -4.517 0.000 0.000) 4.517 9.263 ( 4.517 0.000 0.000) 4.517 9.351 ( -3.124 0.000 0.000) 3.124 9.351 ( 3.124 0.000 0.000) 3.124 10.156 ( -8.230 0.000 0.000) 8.230 10.156 ( 8.230 0.000 0.000) 8.230 10.471 ( -1.380 0.000 0.000) 1.380 10.471 ( 1.380 0.000 0.000) 1.380 10.831 ( -7.923 0.000 0.000) 7.923 10.831 ( 7.923 0.000 0.000) 7.923 11.040 ( -3.030 0.000 0.000) 3.030 11.040 ( 3.030 0.000 0.000) 3.030 11.278 ( -1.049 0.000 0.000) 1.049 11.278 ( 1.049 0.000 0.000) 1.049 11.358 ( -11.380 0.000 0.000) 11.380 11.358 ( 11.380 0.000 0.000) 11.380 11.798 ( -3.540 0.000 0.000) 3.540 11.798 ( 3.540 0.000 0.000) 3.540 11.832 ( -2.895 0.000 0.000) 2.895 11.832 ( 2.895 0.000 0.000) 2.895 12.649 ( -0.827 0.000 0.000) 0.827 12.649 ( 0.827 0.000 0.000) 0.827 12.917 ( -3.285 0.000 0.000) 3.285 12.917 ( 3.285 0.000 0.000) 3.285 13.008 ( -1.139 0.000 0.000) 1.139 13.008 ( 1.139 0.000 0.000) 1.139 13.031 ( -1.137 0.000 0.000) 1.137 13.031 ( 1.137 0.000 0.000) 1.137 13.304 ( -6.910 0.000 0.000) 6.910 13.304 ( 6.910 0.000 0.000) 6.910 14.239 ( -0.079 0.000 0.000) 0.079 14.239 ( 0.079 0.000 0.000) 0.079 14.391 ( -3.054 0.000 0.000) 3.054 14.391 ( 3.054 0.000 0.000) 3.054 14.424 ( -2.895 0.000 0.000) 2.895 14.424 ( 2.895 0.000 0.000) 2.895 14.506 ( -2.978 0.000 0.000) 2.978 14.506 ( 2.978 0.000 0.000) 2.978 14.735 ( -2.594 0.000 0.000) 2.594 14.735 ( 2.594 0.000 0.000) 2.594 14.781 ( -5.028 0.000 0.000) 5.028 14.781 ( 5.028 0.000 0.000) 5.028 15.345 ( -4.922 0.000 0.000) 4.922 15.345 ( 4.922 0.000 0.000) 4.922 15.890 ( -21.148 0.000 0.000) 21.148 15.890 ( 21.148 0.000 0.000) 21.148 16.504 ( -10.719 0.000 0.000) 10.719 16.504 ( 10.719 0.000 0.000) 10.719 17.688 ( -14.198 0.000 0.000) 14.198 17.688 ( 14.198 0.000 0.000) 14.198 18.378 ( -20.413 0.000 0.000) 20.413 18.378 ( 20.413 0.000 0.000) 20.413 18.941 ( -13.757 0.000 0.000) 13.757 18.941 ( 13.757 0.000 0.000) 13.757 19.954 ( -0.237 0.000 0.000) 0.237 19.954 ( 0.237 0.000 0.000) 0.237 20.365 ( -3.521 0.000 0.000) 3.521 20.365 ( 3.521 0.000 0.000) 3.521 21.381 ( -10.010 0.000 0.000) 10.010 21.381 ( 10.010 0.000 0.000) 10.010 22.030 ( -15.645 0.000 0.000) 15.645 22.030 ( 15.645 0.000 0.000) 15.645 22.563 ( -17.064 0.000 0.000) 17.064 22.563 ( 17.064 0.000 0.000) 17.064 23.028 ( -0.638 0.000 0.000) 0.638 23.028 ( 0.638 0.000 0.000) 0.638 23.572 ( -0.234 0.000 0.000) 0.234 23.572 ( 0.234 0.000 0.000) 0.234 24.425 ( -0.038 0.000 0.000) 0.038 24.425 ( 0.038 0.000 0.000) 0.038 24.459 ( -0.000 0.000 0.000) 0.000 24.459 ( 0.000 0.000 0.000) 0.000 25.225 ( -0.350 0.000 0.000) 0.350 25.225 ( 0.350 0.000 0.000) 0.350 26.000 ( -9.040 0.000 0.000) 9.040 26.000 ( 9.040 0.000 0.000) 9.040 26.859 ( -2.081 0.000 0.000) 2.081 26.859 ( 2.081 0.000 0.000) 2.081 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 45.413 0.000) 45.413 1.055 ( 0.000 47.149 0.000) 47.149 1.605 ( 0.000 68.266 0.000) 68.266 1.913 ( 0.000 -34.825 0.000) 34.825 2.023 ( 0.000 -34.170 0.000) 34.170 2.946 ( 0.000 2.027 0.000) 2.027 2.983 ( 0.000 -1.332 0.000) 1.332 3.081 ( 0.000 -58.441 0.000) 58.441 3.302 ( 0.000 4.854 0.000) 4.854 3.377 ( 0.000 -2.073 0.000) 2.073 3.580 ( 0.000 0.475 0.000) 0.475 3.618 ( 0.000 -0.900 0.000) 0.900 3.937 ( 0.000 1.935 0.000) 1.935 3.957 ( 0.000 23.028 0.000) 23.028 4.017 ( 0.000 -5.816 0.000) 5.816 4.423 ( 0.000 -8.729 0.000) 8.729 4.763 ( 0.000 -3.222 0.000) 3.222 4.803 ( 0.000 23.596 0.000) 23.596 5.004 ( 0.000 -13.049 0.000) 13.049 5.317 ( 0.000 -21.888 0.000) 21.888 5.430 ( 0.000 10.493 0.000) 10.493 5.700 ( 0.000 -5.327 0.000) 5.327 5.832 ( 0.000 8.801 0.000) 8.801 5.977 ( 0.000 -6.353 0.000) 6.353 6.058 ( 0.000 -0.336 0.000) 0.336 6.060 ( 0.000 -0.185 0.000) 0.185 6.407 ( 0.000 15.756 0.000) 15.756 6.420 ( 0.000 35.355 0.000) 35.355 6.738 ( 0.000 -13.881 0.000) 13.881 6.786 ( 0.000 27.253 0.000) 27.253 7.207 ( 0.000 -28.010 0.000) 28.010 7.396 ( 0.000 -29.998 0.000) 29.998 7.581 ( 0.000 9.604 0.000) 9.604 7.706 ( 0.000 -1.976 0.000) 1.976 7.753 ( 0.000 -5.143 0.000) 5.143 7.768 ( 0.000 -6.662 0.000) 6.662 7.959 ( 0.000 6.533 0.000) 6.533 8.046 ( 0.000 -0.756 0.000) 0.756 8.537 ( 0.000 13.563 0.000) 13.563 8.764 ( 0.000 -7.570 0.000) 7.570 9.023 ( 0.000 5.317 0.000) 5.317 9.164 ( 0.000 -7.056 0.000) 7.056 9.426 ( 0.000 4.051 0.000) 4.051 9.488 ( 0.000 15.641 0.000) 15.641 9.492 ( 0.000 -2.020 0.000) 2.020 9.677 ( 0.000 1.732 0.000) 1.732 9.961 ( 0.000 -1.953 0.000) 1.953 10.026 ( 0.000 -5.011 0.000) 5.011 10.307 ( 0.000 -6.041 0.000) 6.041 10.314 ( 0.000 -5.565 0.000) 5.565 10.699 ( 0.000 2.794 0.000) 2.794 10.703 ( 0.000 1.391 0.000) 1.391 11.066 ( 0.000 11.599 0.000) 11.599 11.235 ( 0.000 1.495 0.000) 1.495 11.259 ( 0.000 13.145 0.000) 13.145 11.272 ( 0.000 -1.616 0.000) 1.616 11.343 ( 0.000 -11.835 0.000) 11.835 11.601 ( 0.000 -15.777 0.000) 15.777 11.706 ( 0.000 1.453 0.000) 1.453 11.740 ( 0.000 -1.374 0.000) 1.374 11.872 ( 0.000 5.351 0.000) 5.351 11.945 ( 0.000 0.320 0.000) 0.320 11.951 ( 0.000 -0.247 0.000) 0.247 11.996 ( 0.000 -5.442 0.000) 5.442 12.975 ( 0.000 0.364 0.000) 0.364 12.984 ( 0.000 -0.437 0.000) 0.437 13.056 ( 0.000 0.440 0.000) 0.440 13.066 ( 0.000 -0.372 0.000) 0.372 13.209 ( 0.000 16.355 0.000) 16.355 13.388 ( 0.000 1.993 0.000) 1.993 13.618 ( 0.000 2.764 0.000) 2.764 13.622 ( 0.000 3.196 0.000) 3.196 13.744 ( 0.000 -6.669 0.000) 6.669 13.857 ( 0.000 -15.773 0.000) 15.773 14.232 ( 0.000 0.064 0.000) 0.064 14.236 ( 0.000 -0.283 0.000) 0.283 14.288 ( 0.000 1.025 0.000) 1.025 14.310 ( 0.000 -0.873 0.000) 0.873 14.318 ( 0.000 5.966 0.000) 5.966 14.499 ( 0.000 0.646 0.000) 0.646 14.514 ( 0.000 -0.576 0.000) 0.576 14.527 ( 0.000 -11.179 0.000) 11.179 14.891 ( 0.000 3.887 0.000) 3.887 14.904 ( 0.000 3.675 0.000) 3.675 15.595 ( 0.000 10.173 0.000) 10.173 15.678 ( 0.000 -2.807 0.000) 2.807 15.839 ( 0.000 4.523 0.000) 4.523 16.114 ( 0.000 -13.016 0.000) 13.016 16.232 ( 0.000 7.732 0.000) 7.732 16.443 ( 0.000 -11.099 0.000) 11.099 17.361 ( 0.000 5.929 0.000) 5.929 17.393 ( 0.000 8.807 0.000) 8.807 17.858 ( 0.000 -2.380 0.000) 2.380 18.081 ( 0.000 -15.265 0.000) 15.265 18.587 ( 0.000 14.507 0.000) 14.507 18.834 ( 0.000 -7.495 0.000) 7.495 20.105 ( 0.000 14.068 0.000) 14.068 20.394 ( 0.000 -9.547 0.000) 9.547 20.723 ( 0.000 2.804 0.000) 2.804 20.792 ( 0.000 -2.869 0.000) 2.869 20.990 ( 0.000 2.517 0.000) 2.517 21.107 ( 0.000 -6.614 0.000) 6.614 22.185 ( 0.000 5.803 0.000) 5.803 22.360 ( 0.000 -10.068 0.000) 10.068 22.845 ( 0.000 2.562 0.000) 2.562 22.855 ( 0.000 3.122 0.000) 3.122 23.235 ( 0.000 7.732 0.000) 7.732 23.354 ( 0.000 -1.306 0.000) 1.306 23.544 ( 0.000 -1.963 0.000) 1.963 23.560 ( 0.000 -2.647 0.000) 2.647 24.424 ( 0.000 0.055 0.000) 0.055 24.426 ( 0.000 -0.056 0.000) 0.056 24.459 ( 0.000 -0.000 0.000) 0.000 24.459 ( 0.000 0.001 0.000) 0.001 24.949 ( 0.000 1.540 0.000) 1.540 25.032 ( 0.000 -5.827 0.000) 5.827 25.827 ( 0.000 8.067 0.000) 8.067 25.988 ( 0.000 -5.829 0.000) 5.829 26.884 ( 0.000 3.931 0.000) 3.931 26.970 ( 0.000 -3.375 0.000) 3.375 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 27.552 34.420 0.000) 44.089 1.382 ( 33.272 31.853 0.000) 46.061 2.090 ( 17.900 -29.712 0.000) 34.688 2.130 ( 17.151 -34.123 0.000) 38.191 2.318 ( 55.651 41.682 0.000) 69.530 2.940 ( -0.750 2.113 0.000) 2.242 2.981 ( -0.214 -1.547 0.000) 1.562 3.214 ( 11.068 -25.236 0.000) 27.556 3.287 ( -1.997 4.028 0.000) 4.496 3.348 ( -3.288 -1.663 0.000) 3.685 3.591 ( 0.028 0.714 0.000) 0.714 3.693 ( 4.010 -4.080 0.000) 5.721 3.927 ( -1.069 1.605 0.000) 1.928 3.996 ( -2.339 -5.058 0.000) 5.573 4.027 ( 7.215 14.645 0.000) 16.326 4.339 ( -3.668 -7.364 0.000) 8.227 4.675 ( -7.984 -6.310 0.000) 10.176 4.789 ( -1.574 20.918 0.000) 20.977 4.886 ( -12.879 -19.916 0.000) 23.718 5.221 ( -10.214 -16.498 0.000) 19.403 5.333 ( -7.565 8.860 0.000) 11.651 5.504 ( -15.871 -1.171 0.000) 15.914 5.838 ( 1.588 6.319 0.000) 6.516 5.901 ( -11.256 0.740 0.000) 11.281 5.942 ( -10.468 -3.431 0.000) 11.016 6.041 ( -0.586 -10.564 0.000) 10.581 6.517 ( 7.951 12.894 0.000) 15.148 6.626 ( 16.940 29.084 0.000) 33.658 6.649 ( -9.601 26.715 0.000) 28.388 6.787 ( 3.042 -10.890 0.000) 11.307 7.132 ( -9.813 -11.342 0.000) 14.998 7.325 ( -8.470 -24.077 0.000) 25.524 7.606 ( -5.467 2.663 0.000) 6.080 7.659 ( 7.755 7.316 0.000) 10.661 7.755 ( 4.623 -11.587 0.000) 12.475 7.809 ( 4.144 -5.558 0.000) 6.933 8.017 ( 2.546 2.769 0.000) 3.762 8.098 ( 2.778 -2.575 0.000) 3.788 8.631 ( 1.856 6.353 0.000) 6.619 8.760 ( -12.995 -3.814 0.000) 13.544 9.046 ( 2.336 4.528 0.000) 5.095 9.080 ( -5.257 17.660 0.000) 18.425 9.167 ( 0.283 -6.118 0.000) 6.124 9.257 ( -20.970 1.848 0.000) 21.051 9.404 ( -2.191 3.706 0.000) 4.306 9.465 ( -2.705 -1.897 0.000) 3.304 9.965 ( -0.946 1.253 0.000) 1.570 10.157 ( 2.254 -13.558 0.000) 13.744 10.341 ( 6.614 3.743 0.000) 7.599 10.445 ( 1.612 -2.122 0.000) 2.665 10.667 ( 2.407 0.139 0.000) 2.411 10.747 ( 2.107 -2.913 0.000) 3.595 11.106 ( -0.198 11.914 0.000) 11.916 11.244 ( 0.852 1.294 0.000) 1.549 11.258 ( -3.799 -1.624 0.000) 4.132 11.276 ( 0.318 -1.392 0.000) 1.428 11.418 ( 5.552 0.793 0.000) 5.608 11.481 ( -1.787 -5.075 0.000) 5.381 11.717 ( 1.217 1.310 0.000) 1.788 11.748 ( 0.919 -1.281 0.000) 1.576 11.924 ( -2.154 0.400 0.000) 2.191 11.933 ( -1.995 -0.312 0.000) 2.020 12.262 ( 24.534 2.422 0.000) 24.654 12.375 ( 27.356 -7.515 0.000) 28.370 12.980 ( 0.520 0.376 0.000) 0.642 12.990 ( 0.561 -0.468 0.000) 0.731 13.012 ( -3.991 15.842 0.000) 16.337 13.051 ( -0.586 0.469 0.000) 0.751 13.061 ( -0.550 -0.381 0.000) 0.669 13.286 ( -14.807 0.950 0.000) 14.838 13.439 ( -22.044 -6.082 0.000) 22.868 13.544 ( -11.095 -7.519 0.000) 13.403 14.096 ( 19.489 -1.336 0.000) 19.534 14.210 ( 29.274 -6.076 0.000) 29.898 14.234 ( 0.188 0.062 0.000) 0.198 14.237 ( 0.118 -0.217 0.000) 0.247 14.303 ( 1.622 0.924 0.000) 1.867 14.324 ( 1.488 -0.845 0.000) 1.711 14.350 ( 12.352 -3.716 0.000) 12.898 14.487 ( -1.337 0.657 0.000) 1.490 14.498 ( -0.326 -6.727 0.000) 6.735 14.502 ( -1.321 -0.578 0.000) 1.442 14.760 ( -4.359 5.722 0.000) 7.193 14.979 ( -1.336 -12.354 0.000) 12.426 15.626 ( -9.786 0.170 0.000) 9.788 15.641 ( -15.079 -0.695 0.000) 15.095 15.792 ( 8.687 8.289 0.000) 12.007 15.875 ( -4.518 -0.285 0.000) 4.527 16.383 ( 0.367 -0.573 0.000) 0.680 16.527 ( 9.880 -11.113 0.000) 14.870 17.307 ( 1.599 15.236 0.000) 15.320 17.592 ( 11.750 -7.143 0.000) 13.751 17.953 ( 9.953 7.144 0.000) 12.251 18.238 ( 14.560 -11.209 0.000) 18.376 18.728 ( 9.828 0.316 0.000) 9.833 18.863 ( 2.847 -6.520 0.000) 7.115 20.082 ( -1.911 13.591 0.000) 13.724 20.360 ( -3.318 -8.999 0.000) 9.591 20.593 ( -13.653 10.636 0.000) 17.307 20.687 ( -8.963 -1.072 0.000) 9.027 21.054 ( 6.781 5.268 0.000) 8.587 21.205 ( 9.163 -9.882 0.000) 13.476 22.173 ( -9.001 10.795 0.000) 14.055 22.250 ( -3.947 7.325 0.000) 8.321 22.552 ( -18.197 12.253 0.000) 21.938 22.899 ( -2.063 -8.638 0.000) 8.881 23.024 ( -6.350 -1.576 0.000) 6.543 23.118 ( -17.422 -9.291 0.000) 19.744 23.542 ( 3.320 5.496 0.000) 6.421 23.602 ( 0.579 0.727 0.000) 0.929 24.425 ( 0.008 0.048 0.000) 0.048 24.426 ( -0.011 -0.048 0.000) 0.049 24.459 ( 0.002 -0.001 0.000) 0.002 24.459 ( 0.002 0.001 0.000) 0.002 25.075 ( 5.176 -3.337 0.000) 6.159 25.103 ( 5.271 -5.413 0.000) 7.555 25.879 ( 4.872 9.572 0.000) 10.740 26.095 ( 5.642 -10.192 0.000) 11.650 26.872 ( -1.062 3.191 0.000) 3.363 26.944 ( -2.568 -2.877 0.000) 3.856 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.916 ( 35.884 16.437 0.000) 39.469 2.058 ( 37.175 17.558 0.000) 41.113 2.428 ( 15.857 -28.920 0.000) 32.982 2.491 ( 23.427 -19.499 0.000) 30.480 2.901 ( -4.830 2.945 0.000) 5.657 2.970 ( -1.487 -2.896 0.000) 3.255 3.176 ( 5.899 5.405 0.000) 8.000 3.208 ( -6.742 3.029 0.000) 7.391 3.249 ( -7.573 -0.901 0.000) 7.627 3.283 ( -10.710 -3.574 0.000) 11.291 3.703 ( 21.355 21.031 0.000) 29.972 3.819 ( 30.749 14.350 0.000) 33.932 3.901 ( -1.540 0.585 0.000) 1.648 3.934 ( -3.826 -2.561 0.000) 4.604 4.134 ( 10.527 17.538 0.000) 20.455 4.386 ( -7.649 -4.158 0.000) 8.706 4.543 ( -18.809 -14.979 0.000) 24.045 4.742 ( 19.800 -27.982 0.000) 34.279 4.755 ( -1.086 11.991 0.000) 12.040 4.987 ( -13.342 -7.747 0.000) 15.428 5.208 ( -5.205 -3.051 0.000) 6.034 5.239 ( -9.175 -5.624 0.000) 10.762 5.732 ( -5.857 0.955 0.000) 5.934 5.780 ( -6.613 -3.318 0.000) 7.399 5.882 ( 0.932 2.672 0.000) 2.830 5.941 ( -9.131 -1.783 0.000) 9.303 6.507 ( -7.232 18.371 0.000) 19.744 6.643 ( 5.778 7.159 0.000) 9.200 6.715 ( -26.630 3.528 0.000) 26.863 6.799 ( -1.775 -6.163 0.000) 6.414 6.882 ( 1.232 6.167 0.000) 6.289 7.110 ( -15.459 -18.851 0.000) 24.379 7.600 ( 7.683 11.106 0.000) 13.504 7.820 ( 8.340 3.279 0.000) 8.961 7.845 ( -0.974 -4.359 0.000) 4.466 7.894 ( 4.094 -2.932 0.000) 5.036 7.908 ( -11.997 5.927 0.000) 13.381 8.020 ( -6.210 -2.036 0.000) 6.535 8.569 ( 9.756 3.337 0.000) 10.311 8.775 ( 9.488 -12.971 0.000) 16.070 9.035 ( -8.862 8.503 0.000) 12.282 9.098 ( 3.001 2.575 0.000) 3.954 9.169 ( -0.337 -3.603 0.000) 3.619 9.207 ( 3.892 -3.444 0.000) 5.197 9.360 ( -2.014 2.542 0.000) 3.243 9.404 ( -3.519 -1.431 0.000) 3.799 10.024 ( 9.209 6.216 0.000) 11.111 10.220 ( 2.523 -4.542 0.000) 5.196 10.409 ( -0.214 -1.782 0.000) 1.794 10.460 ( 3.424 -1.690 0.000) 3.818 10.741 ( -2.098 -6.471 0.000) 6.802 10.751 ( 8.464 -4.683 0.000) 9.673 11.040 ( -5.795 9.085 0.000) 10.776 11.189 ( -1.668 -1.952 0.000) 2.568 11.262 ( 1.054 0.742 0.000) 1.290 11.281 ( 0.140 -0.800 0.000) 0.812 11.430 ( -2.301 8.785 0.000) 9.082 11.518 ( -2.070 1.360 0.000) 2.477 11.751 ( 2.419 0.941 0.000) 2.596 11.774 ( 1.942 -1.044 0.000) 2.205 11.872 ( -3.282 0.573 0.000) 3.331 11.884 ( -3.117 -0.417 0.000) 3.145 12.620 ( 12.863 3.645 0.000) 13.370 12.740 ( 11.975 -6.440 0.000) 13.597 12.845 ( -13.379 7.473 0.000) 15.325 12.993 ( 0.892 0.366 0.000) 0.964 13.003 ( 0.836 -0.526 0.000) 0.988 13.009 ( -16.940 -6.324 0.000) 18.082 13.037 ( -0.860 0.524 0.000) 1.007 13.047 ( -0.918 -0.367 0.000) 0.988 13.224 ( 4.581 6.320 0.000) 7.806 13.374 ( -5.397 -6.356 0.000) 8.338 14.237 ( 0.133 0.025 0.000) 0.136 14.239 ( 0.044 -0.104 0.000) 0.113 14.345 ( 2.734 0.743 0.000) 2.833 14.363 ( 2.573 -0.785 0.000) 2.690 14.375 ( 11.121 4.307 0.000) 11.926 14.452 ( -2.375 0.699 0.000) 2.476 14.467 ( -2.363 -0.575 0.000) 2.432 14.482 ( 4.338 2.331 0.000) 4.924 14.542 ( 10.079 0.206 0.000) 10.081 14.628 ( 7.639 1.431 0.000) 7.772 14.796 ( -4.670 -8.447 0.000) 9.652 14.863 ( -3.934 -12.539 0.000) 13.141 15.369 ( -4.853 0.164 0.000) 4.856 15.406 ( -8.334 -3.396 0.000) 8.999 15.862 ( -0.164 10.258 0.000) 10.259 16.017 ( 9.199 -7.464 0.000) 11.846 16.328 ( -4.358 6.590 0.000) 7.901 16.562 ( -5.056 -10.018 0.000) 11.222 17.455 ( 11.784 8.768 0.000) 14.688 17.699 ( 0.452 -12.246 0.000) 12.255 18.226 ( 18.039 16.130 0.000) 24.199 18.545 ( 16.945 -9.828 0.000) 19.589 18.775 ( -4.839 4.553 0.000) 6.644 18.914 ( 0.515 -9.015 0.000) 9.030 20.067 ( 1.034 11.832 0.000) 11.877 20.302 ( -2.094 -4.854 0.000) 5.286 20.324 ( -13.179 13.920 0.000) 19.169 20.498 ( -10.708 -1.863 0.000) 10.869 21.221 ( 10.121 4.369 0.000) 11.024 21.369 ( 6.535 -9.256 0.000) 11.330 21.955 ( -6.287 15.336 0.000) 16.575 22.216 ( -10.226 -6.876 0.000) 12.323 22.401 ( 4.657 9.675 0.000) 10.737 22.761 ( -10.320 -19.260 0.000) 21.851 22.883 ( -4.939 -0.744 0.000) 4.994 22.962 ( -5.608 -7.225 0.000) 9.146 23.615 ( 4.013 4.905 0.000) 6.338 23.634 ( 2.548 3.675 0.000) 4.472 24.425 ( 0.015 0.028 0.000) 0.032 24.425 ( -0.018 -0.027 0.000) 0.032 24.459 ( 0.002 -0.001 0.000) 0.002 24.459 ( 0.002 0.000 0.000) 0.002 25.138 ( 2.042 -2.897 0.000) 3.544 25.155 ( 1.084 -4.061 0.000) 4.203 25.975 ( 5.162 8.674 0.000) 10.094 26.125 ( -1.668 -4.155 0.000) 4.477 26.854 ( -0.655 1.543 0.000) 1.676 26.892 ( -2.712 -1.649 0.000) 3.174 ======================= Grid point 10 (8/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -19.534 -2.427 0.000) 19.685 2.493 ( 19.534 -2.427 0.000) 19.685 2.650 ( -24.704 8.117 0.000) 26.003 2.650 ( 24.704 8.117 0.000) 26.003 2.858 ( -13.764 -9.701 0.000) 16.839 2.858 ( 13.764 -9.701 0.000) 16.839 3.047 ( -3.158 -0.095 0.000) 3.160 3.047 ( 3.158 -0.095 0.000) 3.160 3.129 ( -1.706 1.781 0.000) 2.466 3.129 ( 1.706 1.781 0.000) 2.466 3.888 ( -0.678 -0.600 0.000) 0.905 3.888 ( 0.678 -0.600 0.000) 0.905 4.109 ( -23.289 7.167 0.000) 24.367 4.109 ( 23.289 7.167 0.000) 24.367 4.195 ( -9.931 1.613 0.000) 10.061 4.195 ( 9.931 1.613 0.000) 10.061 4.796 ( -6.404 0.653 0.000) 6.437 4.796 ( 6.404 0.653 0.000) 6.437 4.812 ( -31.023 3.175 0.000) 31.185 4.812 ( 31.023 3.175 0.000) 31.185 5.165 ( -6.300 -10.846 0.000) 12.543 5.165 ( 6.300 -10.846 0.000) 12.543 5.700 ( -1.850 0.149 0.000) 1.856 5.700 ( 1.850 0.149 0.000) 1.856 5.817 ( -6.168 -3.477 0.000) 7.081 5.817 ( 6.168 -3.477 0.000) 7.081 6.387 ( -3.542 5.717 0.000) 6.725 6.387 ( 3.542 5.717 0.000) 6.725 6.737 ( -4.528 -0.147 0.000) 4.531 6.737 ( 4.528 -0.147 0.000) 4.531 6.901 ( -4.423 -9.607 0.000) 10.577 6.901 ( 4.423 -9.607 0.000) 10.577 7.739 ( -5.601 13.984 0.000) 15.064 7.739 ( 5.601 13.984 0.000) 15.064 7.910 ( -8.868 1.926 0.000) 9.075 7.910 ( 8.868 1.926 0.000) 9.075 7.920 ( -1.939 -0.006 0.000) 1.939 7.920 ( 1.939 -0.006 0.000) 1.939 8.787 ( -11.663 1.574 0.000) 11.768 8.787 ( 11.663 1.574 0.000) 11.768 9.087 ( -14.355 -12.180 0.000) 18.826 9.087 ( 14.355 -12.180 0.000) 18.826 9.146 ( -2.101 -0.116 0.000) 2.104 9.146 ( 2.101 -0.116 0.000) 2.104 9.353 ( -1.526 0.127 0.000) 1.531 9.353 ( 1.526 0.127 0.000) 1.531 10.191 ( -5.610 2.330 0.000) 6.074 10.191 ( 5.610 2.330 0.000) 6.074 10.454 ( -4.265 -4.366 0.000) 6.103 10.454 ( 4.265 -4.366 0.000) 6.103 10.800 ( -9.145 6.838 0.000) 11.419 10.800 ( 9.145 6.838 0.000) 11.419 11.081 ( -12.463 -5.352 0.000) 13.563 11.081 ( 12.463 -5.352 0.000) 13.563 11.278 ( -0.524 -0.021 0.000) 0.525 11.278 ( 0.524 -0.021 0.000) 0.525 11.416 ( -3.477 5.120 0.000) 6.189 11.416 ( 3.477 5.120 0.000) 6.189 11.800 ( -1.897 0.078 0.000) 1.898 11.800 ( 1.897 0.078 0.000) 1.898 11.831 ( -1.575 -0.066 0.000) 1.576 11.831 ( 1.575 -0.066 0.000) 1.576 12.708 ( -1.930 4.802 0.000) 5.175 12.708 ( 1.930 4.802 0.000) 5.175 12.860 ( -3.148 -4.631 0.000) 5.599 12.860 ( 3.148 -4.631 0.000) 5.599 13.009 ( -0.616 0.051 0.000) 0.618 13.009 ( 0.616 0.051 0.000) 0.618 13.031 ( -0.615 -0.052 0.000) 0.618 13.031 ( 0.615 -0.052 0.000) 0.618 13.313 ( -3.449 0.495 0.000) 3.484 13.313 ( 3.449 0.495 0.000) 3.484 14.239 ( -0.039 -0.030 0.000) 0.049 14.239 ( 0.039 -0.030 0.000) 0.049 14.395 ( -1.903 0.227 0.000) 1.916 14.395 ( 1.903 0.227 0.000) 1.916 14.421 ( -1.824 -0.196 0.000) 1.835 14.421 ( 1.824 -0.196 0.000) 1.835 14.519 ( -2.405 1.151 0.000) 2.667 14.519 ( 2.405 1.151 0.000) 2.667 14.668 ( -4.477 -4.302 0.000) 6.209 14.668 ( 4.477 -4.302 0.000) 6.209 14.725 ( -6.508 -2.769 0.000) 7.072 14.725 ( 6.508 -2.769 0.000) 7.072 15.387 ( -4.374 2.045 0.000) 4.828 15.387 ( 4.374 2.045 0.000) 4.828 15.939 ( -10.962 3.601 0.000) 11.539 15.939 ( 10.962 3.601 0.000) 11.539 16.414 ( -9.989 -5.872 0.000) 11.587 16.414 ( 9.989 -5.872 0.000) 11.587 17.637 ( -6.977 -1.995 0.000) 7.256 17.637 ( 6.977 -1.995 0.000) 7.256 18.551 ( -15.680 11.287 0.000) 19.320 18.551 ( 15.680 11.287 0.000) 19.320 18.829 ( -9.885 -8.557 0.000) 13.074 18.829 ( 9.885 -8.557 0.000) 13.074 20.136 ( -6.769 12.471 0.000) 14.190 20.136 ( 6.769 12.471 0.000) 14.190 20.336 ( -5.840 -3.920 0.000) 7.034 20.336 ( 5.840 -3.920 0.000) 7.034 21.377 ( -5.520 -0.140 0.000) 5.522 21.377 ( 5.520 -0.140 0.000) 5.522 21.998 ( -9.671 -2.201 0.000) 9.918 21.998 ( 9.671 -2.201 0.000) 9.918 22.571 ( -10.900 0.797 0.000) 10.929 22.571 ( 10.900 0.797 0.000) 10.929 22.868 ( -3.274 -8.211 0.000) 8.840 22.868 ( 3.274 -8.211 0.000) 8.840 23.660 ( -0.426 4.024 0.000) 4.046 23.660 ( 0.426 4.024 0.000) 4.046 24.425 ( -0.019 0.001 0.000) 0.019 24.425 ( 0.019 0.001 0.000) 0.019 24.459 ( -0.000 -0.001 0.000) 0.001 24.459 ( 0.000 -0.001 0.000) 0.001 25.159 ( -0.472 -3.337 0.000) 3.370 25.159 ( 0.472 -3.337 0.000) 3.370 26.064 ( -4.393 3.275 0.000) 5.479 26.064 ( 4.393 3.275 0.000) 5.479 26.856 ( -1.040 -0.172 0.000) 1.054 26.856 ( 1.040 -0.172 0.000) 1.054 ======================= Grid point 21 (9/72) ======================= q-point: ( 0.00 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 0.000 46.942) 46.942 1.043 ( 0.000 0.000 51.283) 51.283 2.050 ( 0.000 0.000 98.447) 98.447 2.712 ( 0.000 0.000 17.993) 17.993 2.861 ( 0.000 0.000 32.941) 32.941 3.113 ( 0.000 0.000 17.887) 17.887 3.258 ( 0.000 0.000 23.936) 23.936 3.374 ( 0.000 0.000 6.364) 6.364 3.537 ( 0.000 0.000 6.572) 6.572 3.546 ( 0.000 0.000 11.987) 11.987 3.629 ( 0.000 0.000 -2.603) 2.603 4.194 ( 0.000 0.000 20.522) 20.522 4.199 ( 0.000 0.000 53.843) 53.843 4.497 ( 0.000 0.000 54.880) 54.880 4.945 ( 0.000 0.000 51.287) 51.287 5.121 ( 0.000 0.000 7.326) 7.326 5.160 ( 0.000 0.000 33.032) 33.032 5.349 ( 0.000 0.000 28.129) 28.129 5.354 ( 0.000 0.000 31.211) 31.211 5.392 ( 0.000 0.000 8.101) 8.101 5.466 ( 0.000 0.000 -2.458) 2.458 5.547 ( 0.000 0.000 13.690) 13.690 5.916 ( 0.000 0.000 20.187) 20.187 6.099 ( 0.000 0.000 -0.649) 0.649 6.166 ( 0.000 0.000 9.341) 9.341 6.243 ( 0.000 0.000 12.287) 12.287 6.380 ( 0.000 0.000 23.574) 23.574 6.492 ( 0.000 0.000 19.154) 19.154 7.003 ( 0.000 0.000 21.065) 21.065 7.400 ( 0.000 0.000 32.886) 32.886 7.425 ( 0.000 0.000 -0.039) 0.039 7.522 ( 0.000 0.000 8.059) 8.059 7.721 ( 0.000 0.000 26.616) 26.616 7.808 ( 0.000 0.000 -1.266) 1.266 7.818 ( 0.000 0.000 2.909) 2.909 7.994 ( 0.000 0.000 -1.072) 1.072 7.996 ( 0.000 0.000 -1.590) 1.590 8.056 ( 0.000 0.000 -1.784) 1.784 8.499 ( 0.000 0.000 29.144) 29.144 8.858 ( 0.000 0.000 1.975) 1.975 8.924 ( 0.000 0.000 8.410) 8.410 9.398 ( 0.000 0.000 38.165) 38.165 9.497 ( 0.000 0.000 8.388) 8.388 9.513 ( 0.000 0.000 13.619) 13.619 9.843 ( 0.000 0.000 20.144) 20.144 9.963 ( 0.000 0.000 3.424) 3.424 10.040 ( 0.000 0.000 -1.194) 1.194 10.419 ( 0.000 0.000 3.075) 3.075 10.561 ( 0.000 0.000 -5.420) 5.420 10.575 ( 0.000 0.000 -2.968) 2.968 10.602 ( 0.000 0.000 20.474) 20.474 10.619 ( 0.000 0.000 -7.082) 7.082 10.997 ( 0.000 0.000 -4.526) 4.526 11.398 ( 0.000 0.000 15.674) 15.674 11.422 ( 0.000 0.000 11.183) 11.183 11.433 ( 0.000 0.000 17.154) 17.154 11.463 ( 0.000 0.000 -1.304) 1.304 11.731 ( 0.000 0.000 -1.357) 1.357 11.785 ( 0.000 0.000 -2.669) 2.669 11.967 ( 0.000 0.000 15.228) 15.228 12.046 ( 0.000 0.000 -1.641) 1.641 12.082 ( 0.000 0.000 11.298) 11.298 12.123 ( 0.000 0.000 13.282) 13.282 12.582 ( 0.000 0.000 -3.405) 3.405 12.627 ( 0.000 0.000 7.150) 7.150 12.990 ( 0.000 0.000 -0.811) 0.811 13.039 ( 0.000 0.000 -1.147) 1.147 13.085 ( 0.000 0.000 0.803) 0.803 13.336 ( 0.000 0.000 0.685) 0.685 13.472 ( 0.000 0.000 -2.324) 2.324 13.566 ( 0.000 0.000 -1.797) 1.797 13.774 ( 0.000 0.000 -3.266) 3.266 13.809 ( 0.000 0.000 -10.856) 10.856 14.023 ( 0.000 0.000 -14.332) 14.332 14.037 ( 0.000 0.000 0.914) 0.914 14.177 ( 0.000 0.000 -7.072) 7.072 14.179 ( 0.000 0.000 -5.273) 5.273 14.267 ( 0.000 0.000 -0.264) 0.264 14.475 ( 0.000 0.000 12.551) 12.551 14.701 ( 0.000 0.000 -7.586) 7.586 14.765 ( 0.000 0.000 23.747) 23.747 14.768 ( 0.000 0.000 9.757) 9.757 14.955 ( 0.000 0.000 20.148) 20.148 15.133 ( 0.000 0.000 21.540) 21.540 15.636 ( 0.000 0.000 0.211) 0.211 15.695 ( 0.000 0.000 -3.320) 3.320 16.025 ( 0.000 0.000 -11.190) 11.190 16.196 ( 0.000 0.000 -6.473) 6.473 16.407 ( 0.000 0.000 -4.416) 4.416 16.512 ( 0.000 0.000 -8.961) 8.961 17.313 ( 0.000 0.000 11.498) 11.498 17.981 ( 0.000 0.000 -3.779) 3.779 18.146 ( 0.000 0.000 -0.469) 0.469 18.223 ( 0.000 0.000 -10.431) 10.431 18.791 ( 0.000 0.000 -11.764) 11.764 19.835 ( 0.000 0.000 -7.201) 7.201 20.003 ( 0.000 0.000 -0.497) 0.497 20.257 ( 0.000 0.000 5.670) 5.670 20.461 ( 0.000 0.000 -2.005) 2.005 20.678 ( 0.000 0.000 -1.622) 1.622 20.805 ( 0.000 0.000 -1.950) 1.950 20.922 ( 0.000 0.000 -5.683) 5.683 21.600 ( 0.000 0.000 -6.194) 6.194 22.067 ( 0.000 0.000 -5.057) 5.057 22.475 ( 0.000 0.000 -7.209) 7.209 22.546 ( 0.000 0.000 -17.852) 17.852 22.699 ( 0.000 0.000 -13.193) 13.193 23.058 ( 0.000 0.000 -7.922) 7.922 23.318 ( 0.000 0.000 -3.411) 3.411 23.372 ( 0.000 0.000 -18.096) 18.096 23.461 ( 0.000 0.000 -14.689) 14.689 24.367 ( 0.000 0.000 -8.977) 8.977 24.408 ( 0.000 0.000 -4.824) 4.824 24.596 ( 0.000 0.000 13.579) 13.579 25.130 ( 0.000 0.000 -8.169) 8.169 25.263 ( 0.000 0.000 12.502) 12.502 25.566 ( 0.000 0.000 -13.800) 13.800 26.422 ( 0.000 0.000 -13.615) 13.615 26.866 ( 0.000 0.000 1.748) 1.748 26.995 ( 0.000 0.000 -1.225) 1.225 ======================= Grid point 22 (10/72) ======================= q-point: ( 0.17 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 36.465 0.000 31.147) 47.956 1.646 ( 45.703 0.000 37.466) 59.097 2.458 ( 43.337 0.000 71.745) 83.818 2.904 ( 18.925 0.000 18.566) 26.512 2.974 ( 11.893 0.000 27.918) 30.346 3.081 ( -6.829 0.000 8.820) 11.154 3.162 ( -7.876 0.000 15.467) 17.357 3.270 ( 1.799 0.000 26.079) 26.141 3.487 ( -5.077 0.000 11.303) 12.391 3.644 ( 1.526 0.000 4.717) 4.958 3.787 ( 14.635 0.000 17.513) 22.823 4.049 ( -15.107 0.000 21.323) 26.132 4.156 ( -4.095 0.000 54.116) 54.271 4.464 ( -4.479 0.000 44.627) 44.851 4.756 ( -24.774 0.000 10.608) 26.949 5.018 ( 3.420 0.000 36.395) 36.556 5.051 ( -11.475 0.000 29.307) 31.474 5.252 ( -8.343 0.000 39.097) 39.977 5.321 ( -6.775 0.000 4.908) 8.366 5.349 ( 2.285 0.000 34.002) 34.079 5.388 ( -12.504 0.000 5.593) 13.698 5.769 ( -4.976 0.000 27.424) 27.872 5.831 ( 11.864 0.000 10.671) 15.957 6.126 ( 2.171 0.000 -2.449) 3.273 6.190 ( -2.665 0.000 21.422) 21.587 6.240 ( -15.017 0.000 15.958) 21.913 6.296 ( 17.607 0.000 8.650) 19.617 6.595 ( 11.076 0.000 24.678) 27.049 6.665 ( -22.731 0.000 36.892) 43.332 7.269 ( -23.852 0.000 3.289) 24.078 7.438 ( -3.256 0.000 19.061) 19.337 7.484 ( -1.041 0.000 -2.136) 2.376 7.679 ( -4.646 0.000 13.185) 13.980 7.825 ( 5.735 0.000 19.872) 20.683 7.876 ( 5.364 0.000 4.565) 7.043 7.999 ( 5.539 0.000 -0.795) 5.596 8.108 ( 5.417 0.000 3.910) 6.681 8.420 ( 1.035 0.000 28.302) 28.320 8.460 ( 26.418 0.000 1.837) 26.482 8.674 ( -36.573 0.000 10.059) 37.931 8.938 ( 8.246 0.000 2.942) 8.755 9.101 ( -12.392 0.000 3.455) 12.865 9.460 ( 0.477 0.000 35.390) 35.393 9.530 ( 2.750 0.000 15.524) 15.765 9.738 ( -1.759 0.000 31.834) 31.882 9.941 ( 1.099 0.000 -1.667) 1.997 10.269 ( 8.960 0.000 0.545) 8.976 10.279 ( -18.527 0.000 18.723) 26.340 10.444 ( 2.850 0.000 0.324) 2.869 10.703 ( 12.444 0.000 -4.319) 13.172 10.705 ( -22.791 0.000 25.294) 34.047 10.732 ( -5.632 0.000 -1.093) 5.737 10.811 ( 13.920 0.000 -3.537) 14.362 11.200 ( -6.184 0.000 7.871) 10.010 11.362 ( -2.904 0.000 -1.046) 3.087 11.413 ( -7.347 0.000 8.380) 11.145 11.444 ( 0.187 0.000 11.328) 11.329 11.572 ( -5.417 0.000 7.160) 8.979 11.937 ( 0.789 0.000 15.455) 15.475 12.051 ( -3.348 0.000 10.426) 10.951 12.060 ( -3.711 0.000 19.037) 19.395 12.097 ( -2.461 0.000 13.303) 13.529 12.231 ( 17.977 0.000 -1.191) 18.016 12.493 ( 6.817 0.000 3.017) 7.455 12.722 ( 11.123 0.000 -4.088) 11.851 12.990 ( 0.129 0.000 -0.899) 0.908 13.002 ( -5.422 0.000 -4.039) 6.761 13.083 ( -0.461 0.000 0.702) 0.840 13.141 ( -6.684 0.000 10.327) 12.301 13.177 ( -17.432 0.000 -1.043) 17.463 13.526 ( -19.065 0.000 -1.399) 19.117 13.564 ( -9.129 0.000 -7.351) 11.720 13.864 ( -1.192 0.000 -15.134) 15.181 13.945 ( 3.389 0.000 -16.208) 16.559 14.125 ( -1.835 0.000 -8.411) 8.609 14.177 ( -5.841 0.000 -5.605) 8.095 14.251 ( 9.804 0.000 -1.177) 9.874 14.262 ( 4.168 0.000 -2.014) 4.629 14.482 ( 4.974 0.000 10.986) 12.060 14.725 ( -1.630 0.000 20.758) 20.822 14.810 ( 5.520 0.000 16.421) 17.324 14.993 ( 19.489 0.000 -0.127) 19.489 15.014 ( 3.140 0.000 22.802) 23.017 15.212 ( 1.782 0.000 9.078) 9.252 15.496 ( -22.811 0.000 -4.390) 23.229 15.697 ( 8.127 0.000 -0.076) 8.127 15.784 ( -8.923 0.000 1.560) 9.058 16.194 ( -14.104 0.000 1.758) 14.213 16.366 ( -0.943 0.000 -8.042) 8.097 16.584 ( 8.690 0.000 -7.838) 11.702 17.575 ( 20.833 0.000 4.258) 21.264 17.652 ( -32.195 0.000 29.776) 43.853 17.994 ( -0.958 0.000 -0.885) 1.304 18.234 ( 11.736 0.000 -3.555) 12.263 18.822 ( -0.616 0.000 -8.621) 8.643 19.267 ( -27.071 0.000 6.619) 27.868 19.923 ( -0.419 0.000 0.474) 0.633 19.982 ( -1.878 0.000 -0.430) 1.927 20.429 ( -3.282 0.000 -1.840) 3.762 20.663 ( -9.273 0.000 -3.311) 9.846 20.920 ( 9.426 0.000 -3.945) 10.218 21.317 ( 17.671 0.000 -12.643) 21.728 21.569 ( -3.407 0.000 -6.024) 6.921 22.084 ( 2.953 0.000 -6.562) 7.196 22.407 ( -10.121 0.000 -12.521) 16.100 22.777 ( 1.695 0.000 -17.167) 17.250 23.020 ( 16.638 0.000 -26.125) 30.973 23.041 ( -2.004 0.000 -9.780) 9.983 23.160 ( -6.672 0.000 -11.746) 13.509 23.357 ( -8.261 0.000 -16.331) 18.302 23.818 ( 33.576 0.000 -26.736) 42.921 24.421 ( 4.537 0.000 -4.554) 6.428 24.449 ( 3.977 0.000 -2.194) 4.542 24.593 ( -0.335 0.000 12.853) 12.858 25.137 ( 0.661 0.000 -7.633) 7.661 25.252 ( -1.249 0.000 9.496) 9.577 25.587 ( 2.570 0.000 -14.928) 15.147 26.282 ( -12.004 0.000 -8.383) 14.642 26.847 ( -0.920 0.000 1.603) 1.848 26.968 ( -2.649 0.000 -0.778) 2.761 ======================= Grid point 23 (11/72) ======================= q-point: ( 0.33 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 40.812 0.000 19.677) 45.308 2.412 ( 37.688 0.000 39.683) 54.728 2.942 ( -2.997 0.000 4.613) 5.501 3.064 ( -4.842 0.000 7.156) 8.640 3.110 ( -2.522 0.000 21.988) 22.132 3.150 ( 6.987 0.000 13.823) 15.489 3.257 ( -0.348 0.000 19.977) 19.980 3.444 ( 23.230 0.000 25.508) 34.500 3.596 ( 19.492 0.000 42.416) 46.680 3.615 ( -7.392 0.000 22.004) 23.213 3.885 ( 27.229 0.000 32.908) 42.712 3.937 ( -4.722 0.000 35.882) 36.191 4.114 ( 4.028 0.000 39.102) 39.308 4.388 ( 0.184 0.000 29.947) 29.947 4.424 ( -10.296 0.000 2.943) 10.708 4.783 ( -30.127 0.000 10.152) 31.791 4.793 ( -13.159 0.000 47.501) 49.290 5.061 ( -13.833 0.000 11.680) 18.105 5.144 ( -4.961 0.000 33.990) 34.351 5.240 ( -2.986 0.000 13.843) 14.161 5.366 ( 0.678 0.000 18.061) 18.074 5.926 ( 12.221 0.000 34.466) 36.569 5.946 ( 4.034 0.000 19.859) 20.265 5.956 ( -15.510 0.000 15.310) 21.793 6.114 ( -3.170 0.000 5.995) 6.782 6.189 ( 2.159 0.000 33.510) 33.579 6.424 ( -1.944 0.000 33.207) 33.264 6.682 ( -26.983 0.000 6.182) 27.682 6.735 ( 24.350 0.000 3.773) 24.641 6.833 ( 5.220 0.000 23.586) 24.157 7.315 ( -9.545 0.000 25.686) 27.403 7.352 ( -10.864 0.000 -1.920) 11.033 7.573 ( -5.045 0.000 7.043) 8.663 7.830 ( -24.586 0.000 5.339) 25.159 7.932 ( -11.255 0.000 8.779) 14.273 7.966 ( -8.473 0.000 5.572) 10.142 8.029 ( 6.036 0.000 16.638) 17.699 8.135 ( 1.463 0.000 13.572) 13.651 8.596 ( 12.423 0.000 10.269) 16.118 8.939 ( 5.114 0.000 0.484) 5.137 9.009 ( 13.177 0.000 9.022) 15.969 9.174 ( 15.170 0.000 4.564) 15.842 9.493 ( 3.291 0.000 34.916) 35.071 9.596 ( 1.949 0.000 26.263) 26.335 9.747 ( 2.294 0.000 30.841) 30.926 9.973 ( 4.229 0.000 1.763) 4.582 9.978 ( -13.992 0.000 23.775) 27.586 10.318 ( -10.725 0.000 23.353) 25.698 10.460 ( 9.863 0.000 4.540) 10.858 10.512 ( -3.343 0.000 -0.053) 3.343 10.732 ( 10.017 0.000 -4.838) 11.124 10.788 ( -5.719 0.000 -3.124) 6.516 10.924 ( 5.292 0.000 -5.395) 7.557 11.067 ( -14.179 0.000 -4.429) 14.855 11.209 ( -7.147 0.000 3.970) 8.176 11.406 ( -0.361 0.000 -4.716) 4.730 11.462 ( 1.901 0.000 13.766) 13.896 11.522 ( -1.183 0.000 17.317) 17.358 11.932 ( 0.382 0.000 13.892) 13.898 11.975 ( -3.404 0.000 8.573) 9.224 11.989 ( -0.445 0.000 20.597) 20.602 12.043 ( -3.195 0.000 13.535) 13.907 12.554 ( 12.890 0.000 -2.217) 13.079 12.725 ( -11.406 0.000 -1.698) 11.532 12.740 ( 11.531 0.000 -6.040) 13.017 12.887 ( -1.047 0.000 -7.627) 7.699 12.991 ( -0.530 0.000 -1.516) 1.606 13.033 ( -2.511 0.000 -0.710) 2.610 13.057 ( -4.500 0.000 3.251) 5.551 13.100 ( -1.109 0.000 -3.303) 3.484 13.198 ( -5.508 0.000 4.734) 7.263 13.387 ( -8.211 0.000 -4.678) 9.450 13.938 ( 5.522 0.000 -19.353) 20.125 13.995 ( 1.493 0.000 -19.618) 19.674 14.105 ( -0.663 0.000 -11.175) 11.195 14.107 ( -0.828 0.000 -12.496) 12.523 14.317 ( 2.229 0.000 2.543) 3.382 14.353 ( 1.784 0.000 3.051) 3.534 14.620 ( 8.620 0.000 8.004) 11.763 14.737 ( 1.920 0.000 15.663) 15.780 14.912 ( 0.814 0.000 16.147) 16.168 15.054 ( -7.162 0.000 11.548) 13.588 15.084 ( -7.654 0.000 14.556) 16.446 15.087 ( -3.044 0.000 17.268) 17.534 15.410 ( 21.387 0.000 0.331) 21.390 15.621 ( -9.956 0.000 11.150) 14.948 15.712 ( -9.421 0.000 3.746) 10.138 16.202 ( 14.051 0.000 -1.711) 14.154 16.228 ( -14.261 0.000 -3.492) 14.683 16.586 ( -6.198 0.000 -4.632) 7.738 17.505 ( 9.063 0.000 12.268) 15.253 17.887 ( -0.290 0.000 0.570) 0.639 17.973 ( 12.358 0.000 -2.112) 12.537 18.548 ( 19.503 0.000 -6.120) 20.440 18.660 ( -16.512 0.000 -5.036) 17.263 19.018 ( -6.510 0.000 -8.949) 11.066 19.933 ( 1.037 0.000 -0.462) 1.135 19.954 ( -0.805 0.000 -0.344) 0.875 20.360 ( -3.384 0.000 -1.537) 3.717 20.477 ( -9.881 0.000 -2.596) 10.216 21.125 ( 11.959 0.000 -4.483) 12.772 21.477 ( -6.543 0.000 -5.563) 8.589 21.636 ( 18.170 0.000 -9.088) 20.316 22.180 ( 7.780 0.000 -10.335) 12.936 22.215 ( -11.243 0.000 -7.643) 13.595 22.657 ( -13.914 0.000 -19.709) 24.125 22.962 ( -6.796 0.000 -11.519) 13.374 22.965 ( -5.318 0.000 -10.946) 12.170 23.251 ( 5.877 0.000 -21.262) 22.060 23.291 ( 1.068 0.000 -18.920) 18.951 24.258 ( 14.690 0.000 -15.924) 21.665 24.477 ( 0.360 0.000 0.136) 0.384 24.531 ( 4.406 0.000 3.866) 5.861 24.593 ( 0.576 0.000 11.574) 11.589 25.150 ( 0.827 0.000 -6.552) 6.604 25.217 ( -2.441 0.000 2.615) 3.577 25.673 ( 7.084 0.000 -16.015) 17.512 26.056 ( -12.164 0.000 -10.313) 15.947 26.843 ( 0.466 0.000 0.908) 1.020 26.912 ( -3.095 0.000 0.052) 3.095 ======================= Grid point 24 (12/72) ======================= q-point: (-0.50 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -35.411 0.000 12.100) 37.422 2.629 ( 35.411 0.000 12.100) 37.422 2.961 ( -15.769 0.000 28.487) 32.561 2.961 ( 15.769 0.000 28.487) 32.561 3.013 ( -7.272 0.000 7.468) 10.423 3.013 ( 7.272 0.000 7.468) 10.423 3.364 ( -13.795 0.000 27.185) 30.485 3.364 ( 13.795 0.000 27.185) 30.485 3.740 ( -13.288 0.000 50.746) 52.457 3.740 ( 13.288 0.000 50.746) 52.457 4.114 ( -33.642 0.000 11.678) 35.611 4.114 ( 33.642 0.000 11.678) 35.611 4.213 ( -3.049 0.000 14.198) 14.522 4.213 ( 3.049 0.000 14.198) 14.522 4.541 ( -8.068 0.000 39.087) 39.911 4.541 ( 8.068 0.000 39.087) 39.911 4.807 ( -23.271 0.000 8.670) 24.834 4.807 ( 23.271 0.000 8.670) 24.834 5.142 ( -7.316 0.000 27.055) 28.027 5.142 ( 7.316 0.000 27.055) 28.027 5.516 ( -23.264 0.000 20.048) 30.710 5.516 ( 23.264 0.000 20.048) 30.710 6.007 ( -3.483 0.000 30.012) 30.213 6.007 ( 3.483 0.000 30.012) 30.213 6.100 ( -3.090 0.000 14.407) 14.735 6.100 ( 3.090 0.000 14.407) 14.735 6.466 ( -1.264 0.000 24.647) 24.679 6.466 ( 1.264 0.000 24.647) 24.679 6.987 ( -3.332 0.000 14.723) 15.095 6.987 ( 3.332 0.000 14.723) 15.095 7.198 ( -3.155 0.000 12.386) 12.782 7.198 ( 3.155 0.000 12.386) 12.782 7.497 ( -2.328 0.000 5.623) 6.086 7.497 ( 2.328 0.000 5.623) 6.086 7.864 ( -5.429 0.000 2.964) 6.186 7.864 ( 5.429 0.000 2.964) 6.186 8.134 ( -2.821 0.000 18.064) 18.283 8.134 ( 2.821 0.000 18.064) 18.283 8.798 ( -9.808 0.000 5.705) 11.347 8.798 ( 9.808 0.000 5.705) 11.347 9.306 ( -5.852 0.000 5.848) 8.273 9.306 ( 5.852 0.000 5.848) 8.273 9.569 ( -3.629 0.000 33.511) 33.707 9.569 ( 3.629 0.000 33.511) 33.707 9.795 ( -4.626 0.000 29.968) 30.323 9.795 ( 4.626 0.000 29.968) 30.323 10.140 ( -12.018 0.000 1.087) 12.067 10.140 ( 12.018 0.000 1.087) 12.067 10.497 ( -4.038 0.000 8.296) 9.226 10.497 ( 4.038 0.000 8.296) 9.226 10.804 ( -9.176 0.000 -1.858) 9.363 10.804 ( 9.176 0.000 -1.858) 9.363 10.956 ( -3.289 0.000 -4.010) 5.186 10.956 ( 3.289 0.000 -4.010) 5.186 11.227 ( -12.347 0.000 -8.659) 15.081 11.227 ( 12.347 0.000 -8.659) 15.081 11.498 ( -1.635 0.000 16.231) 16.313 11.498 ( 1.635 0.000 16.231) 16.313 11.964 ( -0.731 0.000 13.225) 13.245 11.964 ( 0.731 0.000 13.225) 13.245 11.989 ( -1.279 0.000 14.646) 14.701 11.989 ( 1.279 0.000 14.646) 14.701 12.629 ( -0.787 0.000 -1.271) 1.495 12.629 ( 0.787 0.000 -1.271) 1.495 12.865 ( -2.523 0.000 -3.804) 4.565 12.865 ( 2.523 0.000 -3.804) 4.565 12.985 ( -1.872 0.000 -2.411) 3.053 12.985 ( 1.872 0.000 -2.411) 3.053 13.034 ( -1.818 0.000 -0.258) 1.836 13.034 ( 1.818 0.000 -0.258) 1.836 13.272 ( -5.767 0.000 -2.403) 6.248 13.272 ( 5.767 0.000 -2.403) 6.248 14.006 ( -0.953 0.000 -20.424) 20.446 14.006 ( 0.953 0.000 -20.424) 20.446 14.100 ( -0.389 0.000 -14.519) 14.524 14.100 ( 0.389 0.000 -14.519) 14.524 14.350 ( -1.342 0.000 4.218) 4.427 14.350 ( 1.342 0.000 4.218) 4.427 14.752 ( -2.278 0.000 -0.387) 2.311 14.752 ( 2.278 0.000 -0.387) 2.311 14.839 ( -2.897 0.000 17.125) 17.368 14.839 ( 2.897 0.000 17.125) 17.368 15.159 ( -0.998 0.000 26.257) 26.276 15.159 ( 0.998 0.000 26.257) 26.276 15.504 ( -2.458 0.000 12.171) 12.416 15.504 ( 2.458 0.000 12.171) 12.416 15.866 ( -22.774 0.000 -2.292) 22.889 15.866 ( 22.774 0.000 -2.292) 22.889 16.445 ( -10.143 0.000 -5.162) 11.381 16.445 ( 10.143 0.000 -5.162) 11.381 17.725 ( -11.984 0.000 3.643) 12.526 17.725 ( 11.984 0.000 3.643) 12.526 18.313 ( -19.783 0.000 -5.923) 20.650 18.313 ( 19.783 0.000 -5.923) 20.650 18.857 ( -12.786 0.000 -8.085) 15.128 18.857 ( 12.786 0.000 -8.085) 15.128 19.948 ( -0.335 0.000 -0.419) 0.536 19.948 ( 0.335 0.000 -0.419) 0.536 20.347 ( -3.147 0.000 -1.678) 3.567 20.347 ( 3.147 0.000 -1.678) 3.567 21.328 ( -9.762 0.000 -4.994) 10.965 21.328 ( 9.762 0.000 -4.994) 10.965 21.966 ( -16.448 0.000 -6.399) 17.649 21.966 ( 16.448 0.000 -6.399) 17.649 22.377 ( -13.908 0.000 -17.043) 21.998 22.377 ( 13.908 0.000 -17.043) 21.998 22.903 ( -0.550 0.000 -10.934) 10.948 22.903 ( 0.550 0.000 -10.934) 10.948 23.309 ( -0.541 0.000 -20.768) 20.775 23.309 ( 0.541 0.000 -20.768) 20.775 24.429 ( -5.416 0.000 -3.868) 6.656 24.429 ( 5.416 0.000 -3.868) 6.656 24.591 ( -1.615 0.000 9.707) 9.840 24.591 ( 1.615 0.000 9.707) 9.840 25.174 ( -1.903 0.000 -3.820) 4.268 25.174 ( 1.903 0.000 -3.820) 4.268 25.842 ( -10.876 0.000 -14.187) 17.876 25.842 ( 10.876 0.000 -14.187) 17.876 26.865 ( -1.898 0.000 0.610) 1.994 26.865 ( 1.898 0.000 0.610) 1.994 ======================= Grid point 28 (13/72) ======================= q-point: ( 0.00 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 38.968 24.857) 46.221 1.452 ( 0.000 30.598 33.694) 45.514 2.232 ( 0.000 -30.416 24.865) 39.286 2.270 ( 0.000 -37.485 22.747) 43.847 2.543 ( 0.000 36.301 72.678) 81.240 3.162 ( 0.000 -3.380 21.042) 21.312 3.249 ( 0.000 -0.344 25.705) 25.707 3.383 ( 0.000 -13.781 32.689) 35.475 3.548 ( 0.000 -0.639 9.285) 9.307 3.594 ( 0.000 -2.494 -0.874) 2.642 3.869 ( 0.000 17.565 22.861) 28.830 4.066 ( 0.000 -6.808 42.908) 43.445 4.245 ( 0.000 6.738 42.226) 42.761 4.523 ( 0.000 2.683 24.031) 24.180 4.649 ( 0.000 -16.305 13.231) 20.998 4.867 ( 0.000 1.033 49.854) 49.864 4.899 ( 0.000 -18.440 1.727) 18.520 5.110 ( 0.000 -17.314 52.534) 55.313 5.464 ( 0.000 11.138 6.808) 13.054 5.509 ( 0.000 13.498 43.875) 45.904 5.703 ( 0.000 1.942 12.196) 12.350 5.726 ( 0.000 -4.080 4.459) 6.044 5.953 ( 0.000 -0.308 19.465) 19.467 5.973 ( 0.000 -2.746 4.514) 5.284 6.304 ( 0.000 3.883 20.596) 20.958 6.351 ( 0.000 -2.536 26.049) 26.172 6.518 ( 0.000 28.029 13.874) 31.274 6.735 ( 0.000 18.616 6.264) 19.641 6.892 ( 0.000 -1.919 33.053) 33.108 7.207 ( 0.000 -24.806 5.960) 25.512 7.234 ( 0.000 -7.673 30.126) 31.088 7.408 ( 0.000 -23.974 2.601) 24.115 7.539 ( 0.000 5.887 -6.241) 8.580 7.679 ( 0.000 -7.398 -5.069) 8.968 7.954 ( 0.000 6.024 2.583) 6.555 7.960 ( 0.000 14.906 31.970) 35.274 8.038 ( 0.000 1.053 -0.229) 1.078 8.321 ( 0.000 -14.303 32.472) 35.483 8.513 ( 0.000 16.042 -0.739) 16.059 8.764 ( 0.000 -7.930 1.444) 8.060 9.094 ( 0.000 12.986 2.299) 13.188 9.355 ( 0.000 -9.954 3.022) 10.402 9.458 ( 0.000 5.057 36.304) 36.655 9.551 ( 0.000 -1.287 27.491) 27.521 9.878 ( 0.000 3.851 3.244) 5.035 9.982 ( 0.000 -4.499 -1.732) 4.821 10.049 ( 0.000 8.360 7.389) 11.157 10.290 ( 0.000 -12.101 1.674) 12.217 10.437 ( 0.000 -3.998 10.070) 10.835 10.438 ( 0.000 -2.742 4.596) 5.352 10.759 ( 0.000 8.744 16.432) 18.614 10.841 ( 0.000 8.155 2.778) 8.615 11.151 ( 0.000 11.582 -3.485) 12.095 11.216 ( 0.000 -12.264 25.091) 27.928 11.293 ( 0.000 -12.024 -0.942) 12.061 11.366 ( 0.000 -6.091 5.734) 8.366 11.475 ( 0.000 3.656 16.581) 16.980 11.626 ( 0.000 -10.299 5.879) 11.859 11.760 ( 0.000 2.344 -0.515) 2.400 11.882 ( 0.000 -10.355 1.142) 10.418 12.018 ( 0.000 4.018 14.743) 15.281 12.089 ( 0.000 -1.140 11.611) 11.667 12.132 ( 0.000 1.033 14.152) 14.190 12.232 ( 0.000 -11.893 20.876) 24.026 12.855 ( 0.000 8.564 -4.630) 9.736 12.963 ( 0.000 -2.425 -2.506) 3.488 13.061 ( 0.000 1.341 0.663) 1.496 13.083 ( 0.000 -0.536 1.174) 1.291 13.393 ( 0.000 5.008 0.500) 5.033 13.491 ( 0.000 -1.267 8.517) 8.611 13.599 ( 0.000 -3.156 -1.551) 3.517 13.610 ( 0.000 3.668 -1.008) 3.804 13.742 ( 0.000 -4.300 0.062) 4.300 13.829 ( 0.000 -11.680 -2.455) 11.935 14.022 ( 0.000 1.418 -15.686) 15.750 14.107 ( 0.000 -6.644 -10.192) 12.166 14.225 ( 0.000 3.560 -2.430) 4.311 14.263 ( 0.000 0.901 1.378) 1.646 14.454 ( 0.000 0.355 8.552) 8.560 14.568 ( 0.000 -9.405 4.610) 10.474 14.798 ( 0.000 2.065 24.626) 24.712 14.813 ( 0.000 2.203 14.329) 14.497 15.110 ( 0.000 6.990 17.246) 18.608 15.171 ( 0.000 1.519 21.346) 21.400 15.687 ( 0.000 2.271 1.044) 2.500 15.752 ( 0.000 11.172 3.293) 11.647 15.976 ( 0.000 -23.919 15.702) 28.613 16.065 ( 0.000 -11.449 -4.624) 12.348 16.115 ( 0.000 7.747 -11.157) 13.583 16.340 ( 0.000 -12.021 -9.643) 15.411 17.510 ( 0.000 9.960 11.502) 15.215 17.684 ( 0.000 -20.974 24.708) 32.410 17.829 ( 0.000 -0.112 -2.607) 2.609 18.133 ( 0.000 -22.805 8.046) 24.183 18.483 ( 0.000 14.270 -10.061) 17.460 18.730 ( 0.000 -8.042 -9.899) 12.754 20.108 ( 0.000 13.089 0.517) 13.099 20.379 ( 0.000 -8.997 -1.381) 9.102 20.702 ( 0.000 2.439 -2.070) 3.199 20.763 ( 0.000 -2.495 -2.870) 3.803 20.926 ( 0.000 2.057 -6.037) 6.378 21.010 ( 0.000 -2.947 -8.774) 9.256 22.111 ( 0.000 5.158 -7.316) 8.952 22.267 ( 0.000 -9.251 -9.223) 13.063 22.710 ( 0.000 6.143 -12.925) 14.311 22.719 ( 0.000 4.655 -13.001) 13.809 22.981 ( 0.000 36.603 -50.043) 62.001 23.118 ( 0.000 5.324 -11.350) 12.536 23.311 ( 0.000 -2.461 -11.039) 11.310 23.334 ( 0.000 -3.282 -19.135) 19.414 23.552 ( 0.000 17.358 -19.597) 26.179 24.063 ( 0.000 -19.952 -24.904) 31.911 24.557 ( 0.000 4.890 8.103) 9.464 24.604 ( 0.000 0.037 14.258) 14.258 25.104 ( 0.000 -1.144 -6.316) 6.419 25.145 ( 0.000 -5.485 1.140) 5.602 25.778 ( 0.000 14.686 -3.468) 15.090 26.139 ( 0.000 -18.312 0.182) 18.312 26.887 ( 0.000 2.818 0.429) 2.850 26.959 ( 0.000 -3.018 -0.922) 3.156 ======================= Grid point 29 (14/72) ======================= q-point: ( 0.17 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 23.240 27.239 24.510) 43.391 1.928 ( 35.550 20.288 29.380) 50.384 2.255 ( 8.945 -31.788 20.537) 38.888 2.564 ( 22.473 -27.272 27.492) 44.773 2.862 ( 31.107 28.283 50.944) 66.052 3.169 ( 0.726 -0.234 20.350) 20.365 3.269 ( 3.311 1.219 29.819) 30.027 3.447 ( 7.485 -2.194 30.636) 31.613 3.506 ( -2.975 4.116 5.118) 7.210 3.616 ( -0.363 -3.051 -0.733) 3.158 3.918 ( 1.330 8.924 36.141) 37.250 4.054 ( 0.100 -3.712 36.156) 36.346 4.239 ( -2.077 10.133 36.522) 37.958 4.453 ( -4.872 -1.145 27.109) 27.567 4.598 ( -6.603 -11.153 8.149) 15.310 4.729 ( -10.831 -12.113 23.285) 28.394 4.882 ( -1.665 -10.508 30.517) 32.318 4.991 ( -11.802 -13.195 52.776) 55.666 5.375 ( -6.985 9.279 19.259) 22.490 5.399 ( -8.889 9.030 20.148) 23.802 5.552 ( -16.082 -2.151 10.872) 19.531 5.641 ( -7.784 -9.186 25.348) 28.063 5.915 ( 3.551 5.648 12.949) 14.567 6.039 ( -1.242 -3.780 9.294) 10.110 6.223 ( -4.124 2.826 25.642) 26.125 6.334 ( -5.160 -8.516 30.964) 32.525 6.630 ( -0.759 21.757 10.692) 24.254 6.687 ( 10.450 25.379 8.212) 28.648 6.904 ( -3.094 9.586 25.546) 27.460 7.163 ( -4.020 -9.704 13.020) 16.728 7.268 ( -4.955 -10.394 17.112) 20.626 7.334 ( -2.627 -21.674 7.654) 23.135 7.546 ( -0.718 3.475 -2.510) 4.346 7.712 ( 3.971 -11.736 -3.002) 12.748 7.991 ( 2.475 7.825 19.488) 21.146 8.004 ( 3.136 3.259 9.375) 10.409 8.103 ( 5.137 1.052 7.669) 9.290 8.269 ( -1.624 -9.790 30.839) 32.397 8.601 ( 5.600 5.480 -0.751) 7.871 8.678 ( -16.029 -1.577 0.680) 16.121 9.073 ( 2.727 8.974 4.893) 10.579 9.169 ( -11.883 1.997 3.862) 12.653 9.473 ( 4.438 3.767 27.602) 28.209 9.558 ( 1.898 0.462 32.368) 32.427 9.740 ( -2.415 1.649 19.696) 19.912 9.868 ( -1.499 -6.613 2.956) 7.397 10.180 ( -10.301 -1.359 9.880) 14.338 10.277 ( 1.203 -7.325 6.779) 10.053 10.399 ( -0.766 2.243 12.737) 12.955 10.530 ( 5.224 -8.839 6.725) 12.274 10.692 ( -10.933 1.804 12.926) 17.026 10.743 ( -3.846 -0.690 6.383) 7.484 11.047 ( -1.716 11.393 -3.696) 12.100 11.181 ( -3.934 -1.682 -2.096) 4.765 11.325 ( 0.291 -1.916 4.255) 4.676 11.362 ( 4.113 -4.846 0.141) 6.357 11.463 ( -0.367 2.135 12.460) 12.646 11.519 ( -0.087 -3.005 10.082) 10.520 11.933 ( 2.186 0.046 15.510) 15.663 11.967 ( 0.710 -3.646 16.305) 16.723 12.093 ( -0.215 0.316 12.143) 12.149 12.094 ( -2.180 0.296 12.606) 12.796 12.255 ( 19.458 3.034 1.135) 19.726 12.371 ( 17.250 -7.141 2.427) 18.827 12.868 ( 1.689 7.808 -5.213) 9.539 12.963 ( -0.904 -1.918 -3.809) 4.360 13.034 ( -2.779 1.668 -0.416) 3.268 13.067 ( -1.793 -1.440 1.632) 2.820 13.163 ( -9.355 5.657 6.077) 12.508 13.289 ( -15.673 3.750 0.826) 16.137 13.420 ( -16.742 -6.541 -1.494) 18.036 13.492 ( -13.583 -5.156 -3.589) 14.965 13.910 ( 4.387 2.113 -15.800) 16.534 13.928 ( 6.653 -0.834 -13.440) 15.020 14.060 ( 5.157 -2.960 -8.587) 10.445 14.094 ( 1.375 -5.518 -8.047) 9.854 14.234 ( 3.124 2.697 -0.626) 4.174 14.282 ( 1.898 -0.902 2.019) 2.915 14.540 ( 7.628 5.820 7.927) 12.446 14.751 ( 10.312 -11.122 7.937) 17.118 14.795 ( 2.451 6.462 24.692) 25.641 14.915 ( 7.256 -0.546 15.831) 17.423 15.000 ( -3.058 -0.769 18.950) 19.211 15.107 ( -8.536 -7.477 17.088) 20.513 15.684 ( -10.535 1.243 -0.485) 10.619 15.691 ( -8.843 7.557 5.015) 12.667 15.812 ( -2.690 1.652 -4.767) 5.718 15.952 ( 1.841 -10.284 15.833) 18.969 16.291 ( 1.413 -1.434 -9.204) 9.422 16.446 ( 10.914 -11.394 -7.302) 17.385 17.490 ( -6.320 2.247 15.547) 16.932 17.650 ( 6.884 -6.786 5.333) 11.040 17.955 ( 9.891 7.036 1.017) 12.180 18.236 ( 10.969 -9.317 0.106) 14.392 18.656 ( 11.293 -5.174 -6.122) 13.848 18.760 ( 2.735 -6.044 -9.983) 11.986 20.081 ( -2.252 12.761 0.148) 12.959 20.344 ( -3.491 -8.410 -1.586) 9.243 20.559 ( -14.043 10.913 -3.322) 18.093 20.651 ( -8.922 -0.952 -3.433) 9.607 20.998 ( 7.153 4.813 -5.089) 10.011 21.130 ( 10.287 -8.366 -6.883) 14.939 22.096 ( -15.816 18.219 -9.205) 25.823 22.133 ( 1.358 5.911 -9.764) 11.494 22.398 ( -13.402 9.126 -14.079) 21.473 22.786 ( 1.609 -2.210 -12.996) 13.280 22.813 ( -6.939 -6.210 -15.784) 18.326 22.925 ( -18.131 -13.965 -18.302) 29.304 23.325 ( 3.936 8.431 -17.454) 19.779 23.406 ( -1.186 0.571 -15.548) 15.604 23.953 ( 26.531 11.422 -26.890) 39.465 24.216 ( 11.504 -11.525 -17.311) 23.766 24.574 ( 1.586 4.023 9.458) 10.399 24.606 ( 0.107 0.532 13.987) 13.998 25.109 ( 0.557 -1.327 -6.277) 6.439 25.143 ( -0.158 -5.067 -0.096) 5.071 25.788 ( 0.988 13.713 -7.081) 15.465 26.095 ( -4.371 -13.705 -4.139) 14.969 26.875 ( -1.097 2.545 0.405) 2.801 26.937 ( -2.182 -2.624 -0.562) 3.458 ======================= Grid point 30 (15/72) ======================= q-point: ( 0.33 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 33.627 13.499 18.210) 40.554 2.472 ( 17.719 -21.627 12.630) 30.679 2.603 ( 30.774 13.111 37.499) 50.251 2.962 ( 16.188 -14.312 25.783) 33.640 3.166 ( -1.786 3.337 14.590) 15.073 3.203 ( 2.081 -0.228 18.159) 18.279 3.285 ( -7.079 2.753 18.686) 20.171 3.451 ( -12.530 -9.583 21.137) 26.374 3.685 ( 14.263 11.944 22.723) 29.367 3.723 ( 8.870 5.237 25.346) 27.359 3.938 ( 13.236 11.634 40.061) 43.765 4.074 ( 2.501 4.121 44.862) 45.120 4.183 ( 5.606 8.820 14.098) 17.550 4.352 ( -10.140 -0.199 15.433) 18.467 4.472 ( -3.716 -5.338 11.451) 13.169 4.540 ( -10.219 -13.264 14.524) 22.166 4.740 ( -12.012 -2.913 45.519) 47.168 4.913 ( 2.718 -15.614 29.196) 33.220 5.174 ( -14.140 4.251 14.501) 20.695 5.228 ( -8.949 1.729 24.384) 26.031 5.368 ( 1.065 3.720 21.936) 22.275 5.622 ( 9.414 -15.804 34.141) 38.782 5.924 ( -5.218 1.944 10.541) 11.921 6.016 ( 0.747 -3.696 17.110) 17.521 6.168 ( -3.384 3.701 33.378) 33.753 6.228 ( -4.324 0.595 32.868) 33.156 6.595 ( -4.034 15.177 14.355) 21.276 6.741 ( -18.197 3.593 7.664) 20.070 6.862 ( 4.433 5.105 6.376) 9.293 6.990 ( -5.785 11.026 22.403) 25.631 7.096 ( -11.120 -16.711 5.093) 20.709 7.244 ( -12.845 -11.222 26.589) 31.589 7.591 ( 9.902 9.678 0.085) 13.846 7.817 ( 3.216 -6.970 -1.241) 7.776 7.939 ( -10.441 2.907 5.196) 12.019 8.002 ( -7.621 -0.560 3.717) 8.498 8.093 ( 0.941 5.171 20.587) 21.248 8.163 ( -4.457 0.243 19.819) 20.315 8.595 ( 11.238 2.484 8.620) 14.379 8.761 ( 13.631 -11.555 3.346) 18.180 9.065 ( -3.196 6.771 6.818) 10.126 9.205 ( 5.422 -3.087 4.830) 7.890 9.550 ( 1.789 4.233 36.641) 36.928 9.609 ( 1.906 0.401 33.221) 33.278 9.757 ( 0.902 1.853 26.410) 26.491 9.891 ( -3.054 -7.907 24.251) 25.690 10.007 ( 2.006 6.310 3.215) 7.361 10.225 ( -2.546 -10.434 3.469) 11.287 10.416 ( -0.515 2.259 5.767) 6.215 10.480 ( -0.407 -1.887 8.979) 9.184 10.687 ( 7.906 -3.298 -4.337) 9.601 10.718 ( -2.348 -7.289 -1.143) 7.743 10.980 ( -5.777 10.782 -4.233) 12.944 11.133 ( -1.760 -0.779 -4.859) 5.227 11.317 ( -0.785 5.397 4.800) 7.265 11.409 ( -0.190 -2.824 2.598) 3.842 11.462 ( -2.778 3.268 5.949) 7.334 11.522 ( -1.313 -0.847 12.123) 12.223 11.940 ( 0.586 0.752 14.948) 14.979 11.962 ( 0.012 -1.167 16.442) 16.483 12.028 ( -3.235 2.646 13.482) 14.115 12.054 ( -2.742 0.295 14.490) 14.750 12.585 ( 13.421 3.066 -2.560) 14.003 12.679 ( 13.072 -4.718 -4.530) 14.617 12.798 ( -11.541 5.383 -3.335) 13.164 12.880 ( -5.290 -1.395 -6.782) 8.714 12.989 ( -1.133 0.258 -1.896) 2.224 13.017 ( -3.397 -2.052 0.310) 3.980 13.054 ( -3.549 1.463 0.944) 3.953 13.099 ( -6.922 -1.929 1.602) 7.362 13.218 ( 0.683 3.356 0.266) 3.435 13.323 ( -4.293 -5.096 -3.748) 7.646 13.961 ( 2.584 1.527 -19.308) 19.540 13.987 ( 1.032 -0.788 -19.660) 19.703 14.103 ( 1.320 0.225 -12.500) 12.572 14.111 ( -0.665 0.004 -12.685) 12.702 14.314 ( 3.280 0.216 2.599) 4.191 14.337 ( 2.791 -1.351 3.774) 4.884 14.658 ( 4.204 3.918 4.630) 7.380 14.760 ( -3.237 -1.105 7.617) 8.350 14.887 ( -6.265 -3.392 12.084) 14.028 14.918 ( 3.779 -2.329 21.994) 22.437 15.011 ( -1.388 -1.652 16.846) 16.984 15.068 ( 2.561 -5.071 21.180) 21.929 15.522 ( 0.397 1.077 8.759) 8.834 15.535 ( 0.114 2.110 11.878) 12.065 15.880 ( -2.103 5.901 1.447) 6.429 16.014 ( 6.028 -9.803 2.424) 11.761 16.264 ( -2.983 7.085 -5.950) 9.721 16.503 ( -4.373 -9.613 -5.141) 11.746 17.510 ( 7.069 4.715 5.433) 10.085 17.709 ( -0.577 -11.839 1.096) 11.904 18.201 ( 15.895 15.943 -2.213) 22.621 18.499 ( 15.733 -7.989 -4.290) 18.159 18.705 ( -5.456 3.026 -6.442) 8.967 18.822 ( 1.412 -8.971 -8.899) 12.715 20.059 ( 0.664 11.305 -0.546) 11.337 20.275 ( -5.417 4.139 -2.858) 7.392 20.304 ( -9.196 4.643 -1.467) 10.406 20.467 ( -10.248 -2.032 -2.936) 10.852 21.166 ( 10.025 4.009 -5.021) 11.907 21.307 ( 6.946 -8.988 -5.847) 12.776 21.873 ( -5.082 16.389 -8.333) 19.075 22.146 ( -7.420 -5.638 -7.026) 11.671 22.259 ( 1.128 6.027 -12.141) 13.601 22.533 ( -12.601 -15.372 -20.654) 28.665 22.771 ( -2.413 -4.489 -10.580) 11.743 22.814 ( -3.683 -6.889 -13.103) 15.255 23.380 ( 2.480 5.409 -18.665) 19.590 23.399 ( 0.697 3.791 -18.053) 18.460 24.291 ( 11.377 3.027 -13.461) 17.883 24.382 ( 5.779 -5.067 -7.286) 10.590 24.597 ( 0.397 2.365 11.217) 11.471 24.610 ( 0.442 0.910 12.901) 12.941 25.122 ( 0.764 -1.475 -5.290) 5.544 25.141 ( -0.043 -3.675 -1.412) 3.937 25.818 ( 2.587 9.736 -13.358) 16.731 25.995 ( -6.027 -5.712 -11.294) 14.018 26.857 ( -0.546 1.290 0.475) 1.479 26.892 ( -2.368 -1.593 0.100) 2.856 ======================= Grid point 31 (16/72) ======================= q-point: (-0.50 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -16.182 -1.810 15.468) 22.459 2.594 ( 16.182 -1.810 15.468) 22.459 3.026 ( -1.582 0.929 5.165) 5.481 3.026 ( 1.582 0.929 5.165) 5.481 3.038 ( -9.100 4.766 24.631) 26.687 3.038 ( 9.100 4.766 24.631) 26.687 3.352 ( -9.267 -1.516 38.217) 39.353 3.352 ( 9.267 -1.516 38.217) 39.353 3.716 ( -9.347 -1.707 45.281) 46.267 3.716 ( 9.347 -1.707 45.281) 46.267 4.148 ( -8.573 1.087 10.177) 13.351 4.148 ( 8.573 1.087 10.177) 13.351 4.203 ( -6.558 1.772 5.609) 8.810 4.203 ( 6.558 1.772 5.609) 8.810 4.481 ( -2.957 -3.701 35.214) 35.532 4.481 ( 2.957 -3.701 35.214) 35.532 4.810 ( -15.453 0.347 15.456) 21.859 4.810 ( 15.453 0.347 15.456) 21.859 5.079 ( -4.566 -5.703 23.495) 24.605 5.079 ( 4.566 -5.703 23.495) 24.605 5.626 ( -24.062 12.341 28.967) 39.628 5.626 ( 24.062 12.340 28.967) 39.628 5.924 ( -13.499 -9.595 23.781) 28.980 5.924 ( 13.499 -9.595 23.781) 28.980 6.137 ( -1.587 1.339 28.730) 28.805 6.137 ( 1.587 1.339 28.730) 28.805 6.517 ( -7.852 4.549 18.514) 20.619 6.517 ( 7.852 4.549 18.514) 20.619 6.902 ( -3.922 -6.703 4.640) 9.047 6.902 ( 3.922 -6.703 4.640) 9.047 7.041 ( -6.884 -4.140 22.735) 24.112 7.041 ( 6.884 -4.140 22.735) 24.112 7.747 ( -5.419 12.736 1.383) 13.910 7.747 ( 5.419 12.736 1.383) 13.910 7.897 ( -5.634 -0.235 1.165) 5.758 7.897 ( 5.634 -0.235 1.165) 5.758 8.131 ( -1.181 -0.273 17.721) 17.763 8.131 ( 1.181 -0.273 17.721) 17.763 8.819 ( -10.561 3.248 7.086) 13.126 8.819 ( 10.561 3.248 7.086) 13.126 9.149 ( -11.457 -10.591 7.669) 17.386 9.149 ( 11.457 -10.591 7.669) 17.386 9.588 ( -2.383 1.344 36.919) 37.020 9.588 ( 2.383 1.344 36.919) 37.020 9.769 ( -3.751 -1.539 29.289) 29.568 9.769 ( 3.751 -1.539 29.289) 29.568 10.165 ( -6.237 1.261 -0.429) 6.377 10.165 ( 6.237 1.261 -0.429) 6.377 10.464 ( -3.745 -4.897 4.743) 7.778 10.464 ( 3.745 -4.897 4.743) 7.778 10.761 ( -10.306 7.151 -2.566) 12.803 10.761 ( 10.306 7.151 -2.566) 12.803 10.986 ( -15.772 -6.171 -6.629) 18.187 10.986 ( 15.772 -6.171 -6.629) 18.187 11.330 ( -3.794 8.344 -0.823) 9.203 11.330 ( 3.794 8.344 -0.823) 9.203 11.476 ( -3.158 -2.764 13.304) 13.950 11.476 ( 3.158 -2.764 13.304) 13.950 11.956 ( -0.839 -0.300 11.465) 11.499 11.956 ( 0.839 -0.300 11.465) 11.499 12.015 ( -1.219 1.419 17.280) 17.381 12.015 ( 1.219 1.419 17.280) 17.381 12.680 ( -1.451 4.131 -2.019) 4.822 12.680 ( 1.451 4.131 -2.019) 4.822 12.820 ( -2.592 -3.785 -3.186) 5.585 12.820 ( 2.592 -3.785 -3.186) 5.585 12.991 ( -1.979 0.506 -1.886) 2.780 12.991 ( 1.979 0.506 -1.886) 2.780 13.020 ( -2.201 -0.932 -1.039) 2.606 13.020 ( 2.201 -0.932 -1.039) 2.606 13.275 ( -2.826 0.176 -2.890) 4.046 13.275 ( 2.826 0.176 -2.890) 4.046 13.996 ( -0.625 -0.566 -20.237) 20.254 13.996 ( 0.625 -0.566 -20.237) 20.254 14.105 ( -0.389 0.211 -14.808) 14.815 14.105 ( 0.389 0.211 -14.808) 14.815 14.352 ( -0.827 0.115 4.652) 4.726 14.352 ( 0.827 0.115 4.652) 4.726 14.693 ( -1.850 -2.989 -0.650) 3.575 14.693 ( 1.850 -2.989 -0.650) 3.575 14.890 ( -5.556 4.059 18.557) 19.791 14.890 ( 5.556 4.059 18.557) 19.791 15.026 ( -5.850 -7.928 21.521) 23.669 15.026 ( 5.850 -7.928 21.521) 23.669 15.612 ( -6.258 4.556 17.900) 19.502 15.612 ( 6.258 4.556 17.900) 19.502 15.904 ( -11.975 3.314 -3.437) 12.892 15.904 ( 11.975 3.314 -3.437) 12.892 16.360 ( -9.840 -5.664 -4.281) 12.134 16.360 ( 9.840 -5.664 -4.281) 12.134 17.646 ( -6.033 -3.353 0.994) 6.973 17.646 ( 6.033 -3.353 0.994) 6.973 18.497 ( -14.993 11.937 -5.062) 19.821 18.497 ( 14.993 11.937 -5.062) 19.821 18.751 ( -9.248 -8.568 -7.455) 14.646 18.751 ( 9.248 -8.568 -7.455) 14.646 20.120 ( -6.142 12.100 -1.435) 13.645 20.120 ( 6.142 12.100 -1.435) 13.645 20.314 ( -5.376 -4.261 -2.014) 7.149 20.314 ( 5.376 -4.261 -2.014) 7.149 21.320 ( -5.334 -0.401 -5.381) 7.587 21.320 ( 5.334 -0.401 -5.381) 7.587 21.935 ( -10.364 -2.225 -6.445) 12.405 21.935 ( 10.364 -2.225 -6.445) 12.405 22.369 ( -7.502 -0.411 -17.795) 19.316 22.369 ( 7.502 -0.411 -17.795) 19.316 22.753 ( -1.586 -6.900 -10.660) 12.797 22.753 ( 1.586 -6.900 -10.660) 12.797 23.408 ( -0.367 4.249 -19.472) 19.934 23.408 ( 0.367 4.249 -19.472) 19.934 24.414 ( -2.452 -0.783 -5.009) 5.632 24.414 ( 2.452 -0.783 -5.009) 5.632 24.606 ( -0.787 0.807 11.605) 11.659 24.606 ( 0.787 0.807 11.605) 11.659 25.136 ( -0.641 -1.977 -2.906) 3.573 25.136 ( 0.641 -1.977 -2.906) 3.573 25.889 ( -5.126 2.483 -15.270) 16.298 25.889 ( 5.126 2.483 -15.270) 16.298 26.860 ( -0.962 -0.251 0.485) 1.107 26.860 ( 0.962 -0.251 0.485) 1.107 ======================= Grid point 42 (17/72) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 0.000 52.204) 52.204 2.034 ( 0.000 0.000 45.818) 45.818 3.205 ( 0.000 0.000 29.935) 29.935 3.260 ( 0.000 0.000 8.197) 8.197 3.431 ( 0.000 0.000 15.702) 15.702 3.522 ( 0.000 0.000 -6.690) 6.690 3.628 ( 0.000 0.000 45.550) 45.550 3.762 ( 0.000 0.000 31.103) 31.103 3.851 ( 0.000 0.000 25.542) 25.542 3.927 ( 0.000 0.000 24.743) 24.743 4.220 ( 0.000 0.000 80.115) 80.115 4.829 ( 0.000 0.000 27.524) 27.524 5.267 ( 0.000 0.000 32.818) 32.818 5.332 ( 0.000 0.000 14.961) 14.961 5.525 ( 0.000 0.000 20.325) 20.325 5.542 ( 0.000 0.000 21.966) 21.966 5.584 ( 0.000 0.000 29.872) 29.872 5.676 ( 0.000 0.000 12.695) 12.695 5.776 ( 0.000 0.000 49.211) 49.211 5.878 ( 0.000 0.000 7.241) 7.241 6.152 ( 0.000 0.000 59.941) 59.941 6.279 ( 0.000 0.000 20.182) 20.182 6.316 ( 0.000 0.000 41.943) 41.943 6.318 ( 0.000 0.000 18.025) 18.025 6.506 ( 0.000 0.000 18.280) 18.280 6.858 ( 0.000 0.000 53.816) 53.816 6.947 ( 0.000 0.000 29.068) 29.068 7.117 ( 0.000 0.000 37.836) 37.836 7.376 ( 0.000 0.000 -2.251) 2.251 7.565 ( 0.000 0.000 -5.737) 5.737 7.588 ( 0.000 0.000 37.554) 37.554 7.785 ( 0.000 0.000 8.879) 8.879 7.887 ( 0.000 0.000 2.774) 2.774 7.983 ( 0.000 0.000 2.184) 2.184 8.107 ( 0.000 0.000 14.888) 14.888 8.133 ( 0.000 0.000 17.358) 17.358 8.211 ( 0.000 0.000 31.164) 31.164 8.437 ( 0.000 0.000 42.086) 42.086 8.995 ( 0.000 0.000 10.427) 10.427 9.195 ( 0.000 0.000 16.591) 16.591 9.269 ( 0.000 0.000 45.699) 45.699 9.668 ( 0.000 0.000 6.774) 6.774 9.674 ( 0.000 0.000 9.103) 9.103 9.786 ( 0.000 0.000 -3.759) 3.759 10.028 ( 0.000 0.000 12.553) 12.553 10.291 ( 0.000 0.000 23.109) 23.109 10.403 ( 0.000 0.000 -7.602) 7.602 10.457 ( 0.000 0.000 -2.898) 2.898 10.577 ( 0.000 0.000 27.297) 27.297 10.616 ( 0.000 0.000 11.467) 11.467 10.642 ( 0.000 0.000 23.744) 23.744 10.824 ( 0.000 0.000 -3.978) 3.978 11.322 ( 0.000 0.000 33.697) 33.697 11.592 ( 0.000 0.000 18.602) 18.602 11.628 ( 0.000 0.000 -0.381) 0.381 11.638 ( 0.000 0.000 7.183) 7.183 11.709 ( 0.000 0.000 0.514) 0.514 11.795 ( 0.000 0.000 4.543) 4.543 11.899 ( 0.000 0.000 28.766) 28.766 12.093 ( 0.000 0.000 12.743) 12.743 12.316 ( 0.000 0.000 3.631) 3.631 12.327 ( 0.000 0.000 11.983) 11.983 12.347 ( 0.000 0.000 20.449) 20.449 12.611 ( 0.000 0.000 8.057) 8.057 12.786 ( 0.000 0.000 7.343) 7.343 12.967 ( 0.000 0.000 -0.068) 0.068 13.022 ( 0.000 0.000 0.122) 0.122 13.079 ( 0.000 0.000 -1.680) 1.680 13.372 ( 0.000 0.000 2.247) 2.247 13.409 ( 0.000 0.000 -3.417) 3.417 13.549 ( 0.000 0.000 0.760) 0.760 13.554 ( 0.000 0.000 -11.558) 11.558 13.708 ( 0.000 0.000 -4.008) 4.008 13.792 ( 0.000 0.000 -7.136) 7.136 14.047 ( 0.000 0.000 -5.001) 5.001 14.069 ( 0.000 0.000 -0.951) 0.951 14.077 ( 0.000 0.000 -5.215) 5.215 14.348 ( 0.000 0.000 9.155) 9.155 14.460 ( 0.000 0.000 -14.247) 14.247 14.750 ( 0.000 0.000 13.548) 13.548 14.953 ( 0.000 0.000 5.934) 5.934 15.307 ( 0.000 0.000 25.707) 25.707 15.392 ( 0.000 0.000 22.328) 22.328 15.542 ( 0.000 0.000 17.616) 17.616 15.585 ( 0.000 0.000 -8.931) 8.931 15.681 ( 0.000 0.000 4.114) 4.114 15.695 ( 0.000 0.000 -21.094) 21.094 16.010 ( 0.000 0.000 -10.736) 10.736 16.300 ( 0.000 0.000 -4.529) 4.529 16.333 ( 0.000 0.000 -4.903) 4.903 17.625 ( 0.000 0.000 16.421) 16.421 17.907 ( 0.000 0.000 -0.677) 0.677 17.928 ( 0.000 0.000 -18.035) 18.035 18.144 ( 0.000 0.000 0.441) 0.441 18.440 ( 0.000 0.000 -22.709) 22.709 19.682 ( 0.000 0.000 -7.418) 7.418 19.992 ( 0.000 0.000 -0.499) 0.499 20.373 ( 0.000 0.000 5.575) 5.575 20.402 ( 0.000 0.000 -3.780) 3.780 20.629 ( 0.000 0.000 -3.155) 3.155 20.756 ( 0.000 0.000 -2.700) 2.700 20.777 ( 0.000 0.000 -8.036) 8.036 21.427 ( 0.000 0.000 -10.550) 10.550 21.928 ( 0.000 0.000 -8.366) 8.366 22.073 ( 0.000 0.000 -27.229) 27.229 22.277 ( 0.000 0.000 -12.044) 12.044 22.361 ( 0.000 0.000 -19.187) 19.187 22.842 ( 0.000 0.000 -13.107) 13.107 22.986 ( 0.000 0.000 -18.961) 18.961 23.101 ( 0.000 0.000 -20.278) 20.278 23.219 ( 0.000 0.000 -6.225) 6.225 24.114 ( 0.000 0.000 -15.416) 15.416 24.211 ( 0.000 0.000 -13.645) 13.645 24.750 ( 0.000 0.000 -6.956) 6.956 25.035 ( 0.000 0.000 6.677) 6.677 25.214 ( 0.000 0.000 -19.829) 19.829 25.530 ( 0.000 0.000 12.045) 12.045 26.066 ( 0.000 0.000 -21.133) 21.133 26.879 ( 0.000 0.000 -0.660) 0.660 26.965 ( 0.000 0.000 -1.833) 1.833 ======================= Grid point 43 (18/72) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 21.472 0.000 46.159) 50.909 2.393 ( 34.065 0.000 35.930) 49.511 3.234 ( -1.562 0.000 7.573) 7.732 3.290 ( -9.441 0.000 11.904) 15.193 3.393 ( 18.021 0.000 28.300) 33.551 3.619 ( 6.712 0.000 5.363) 8.592 3.650 ( 1.638 0.000 38.235) 38.270 3.713 ( -1.495 0.000 28.956) 28.995 3.892 ( 3.115 0.000 28.406) 28.576 4.145 ( 18.071 0.000 19.805) 26.810 4.387 ( 17.911 0.000 77.542) 79.584 4.686 ( -12.484 0.000 24.506) 27.503 5.133 ( -23.878 0.000 34.397) 41.872 5.157 ( -11.650 0.000 33.040) 35.034 5.353 ( -0.011 0.000 15.866) 15.866 5.389 ( -13.600 0.000 18.860) 23.252 5.506 ( -7.447 0.000 24.219) 25.338 5.671 ( -10.638 0.000 44.047) 45.313 5.769 ( -5.239 0.000 10.463) 11.701 5.967 ( -0.632 0.000 9.176) 9.197 5.974 ( -12.897 0.000 36.687) 38.888 6.311 ( 1.140 0.000 39.829) 39.845 6.362 ( 3.708 0.000 30.910) 31.131 6.453 ( 21.775 0.000 26.473) 34.277 6.618 ( 9.826 0.000 33.814) 35.213 6.845 ( -1.679 0.000 46.137) 46.167 6.901 ( -2.854 0.000 34.687) 34.805 7.217 ( 4.797 0.000 30.897) 31.267 7.322 ( -5.871 0.000 3.429) 6.799 7.370 ( -14.328 0.000 23.956) 27.914 7.543 ( -3.954 0.000 17.342) 17.787 7.548 ( -17.011 0.000 13.362) 21.631 7.873 ( 2.159 0.000 1.517) 2.639 8.016 ( 11.997 0.000 3.741) 12.566 8.217 ( 6.314 0.000 16.592) 17.753 8.277 ( 2.462 0.000 27.748) 27.857 8.399 ( 7.772 0.000 23.744) 24.983 8.687 ( 26.314 0.000 28.230) 38.592 9.025 ( -42.167 0.000 23.840) 48.440 9.054 ( 6.889 0.000 17.367) 18.683 9.245 ( -1.791 0.000 11.962) 12.095 9.256 ( 0.588 0.000 40.901) 40.905 9.680 ( 1.987 0.000 5.207) 5.573 9.799 ( 2.146 0.000 -3.789) 4.354 10.034 ( -5.217 0.000 7.338) 9.004 10.402 ( -0.268 0.000 -5.546) 5.552 10.424 ( 6.389 0.000 29.948) 30.622 10.509 ( -7.386 0.000 7.080) 10.231 10.589 ( 11.519 0.000 8.988) 14.610 10.699 ( 14.641 0.000 18.228) 23.380 10.798 ( 7.683 0.000 11.592) 13.907 10.827 ( -4.392 0.000 -1.305) 4.582 11.098 ( -14.719 0.000 31.159) 34.461 11.322 ( -20.388 0.000 -0.763) 20.402 11.454 ( -5.531 0.000 14.768) 15.770 11.694 ( -0.184 0.000 19.675) 19.676 11.712 ( 2.562 0.000 13.115) 13.363 11.913 ( 3.859 0.000 19.343) 19.724 12.201 ( 17.532 0.000 4.511) 18.103 12.261 ( 17.169 0.000 9.964) 19.851 12.263 ( -5.781 0.000 7.176) 9.215 12.317 ( -1.194 0.000 8.289) 8.374 12.355 ( 1.183 0.000 19.536) 19.572 12.687 ( -9.879 0.000 11.726) 15.333 12.716 ( 8.311 0.000 5.120) 9.761 12.925 ( -10.645 0.000 -2.123) 10.855 12.962 ( -0.427 0.000 -0.613) 0.747 13.065 ( -1.697 0.000 -2.313) 2.869 13.178 ( -12.929 0.000 1.629) 13.031 13.287 ( -8.349 0.000 4.265) 9.375 13.466 ( -8.544 0.000 -2.354) 8.863 13.488 ( -12.907 0.000 -2.290) 13.108 13.639 ( -0.771 0.000 -13.165) 13.187 13.658 ( -5.485 0.000 -4.301) 6.970 13.976 ( -4.463 0.000 -5.515) 7.095 14.063 ( -10.018 0.000 -6.676) 12.039 14.186 ( 10.315 0.000 -5.232) 11.566 14.356 ( 6.775 0.000 9.588) 11.741 14.681 ( 7.810 0.000 4.758) 9.145 14.883 ( 19.218 0.000 -2.461) 19.375 15.066 ( 10.223 0.000 4.658) 11.234 15.208 ( -11.213 0.000 20.245) 23.143 15.347 ( -15.165 0.000 -4.150) 15.723 15.464 ( 3.819 0.000 17.568) 17.978 15.477 ( -5.389 0.000 13.196) 14.255 15.721 ( 5.524 0.000 -7.406) 9.239 15.754 ( 6.177 0.000 6.256) 8.792 16.110 ( -0.083 0.000 -14.536) 14.536 16.235 ( -4.501 0.000 2.693) 5.245 16.420 ( 8.941 0.000 -5.043) 10.266 17.709 ( 7.500 0.000 7.329) 10.487 17.800 ( -10.461 0.000 -8.529) 13.497 17.983 ( 4.549 0.000 1.315) 4.735 18.171 ( 5.970 0.000 -1.289) 6.107 18.509 ( 5.114 0.000 -21.518) 22.117 19.385 ( -33.025 0.000 2.069) 33.089 19.974 ( -1.602 0.000 -0.283) 1.627 20.005 ( -10.521 0.000 7.760) 13.073 20.375 ( -2.772 0.000 -3.414) 4.398 20.578 ( -8.692 0.000 -4.702) 9.882 20.830 ( 8.075 0.000 -4.636) 9.311 21.060 ( 18.140 0.000 -11.867) 21.677 21.401 ( -2.796 0.000 -10.163) 10.540 21.921 ( 0.372 0.000 -9.117) 9.125 22.038 ( -2.846 0.000 -23.380) 23.553 22.356 ( -3.136 0.000 -21.872) 22.096 22.558 ( 17.936 0.000 -19.681) 26.628 22.802 ( -4.163 0.000 -13.977) 14.584 22.866 ( -9.107 0.000 -16.494) 18.841 22.976 ( -9.689 0.000 -20.307) 22.500 23.464 ( 23.328 0.000 -12.533) 26.481 24.251 ( 11.870 0.000 -12.281) 17.080 24.283 ( 7.159 0.000 -13.085) 14.915 24.721 ( -2.862 0.000 -6.650) 7.240 25.027 ( -1.292 0.000 -1.545) 2.014 25.238 ( 3.237 0.000 -14.033) 14.401 25.470 ( -6.373 0.000 9.526) 11.461 25.988 ( -8.167 0.000 -18.384) 20.117 26.868 ( -0.799 0.000 -0.064) 0.801 26.948 ( -1.696 0.000 -1.358) 2.173 ======================= Grid point 44 (19/72) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 28.964 0.000 34.375) 44.951 3.052 ( 27.898 0.000 15.432) 31.882 3.174 ( -1.802 0.000 14.676) 14.787 3.176 ( -1.007 0.000 15.153) 15.187 3.640 ( -5.153 0.000 32.463) 32.870 3.675 ( -0.722 0.000 32.102) 32.110 3.781 ( 7.472 0.000 7.287) 10.437 3.812 ( 14.648 0.000 32.432) 35.586 3.893 ( 8.650 0.000 25.714) 27.129 4.502 ( -1.288 0.000 14.029) 14.088 4.519 ( 21.900 0.000 16.995) 27.721 4.808 ( -6.534 0.000 47.604) 48.050 4.843 ( -21.768 0.000 31.338) 38.157 4.888 ( 27.428 0.000 60.829) 66.727 5.008 ( -27.078 0.000 18.067) 32.552 5.265 ( -16.207 0.000 37.810) 41.137 5.274 ( -10.465 0.000 16.995) 19.959 5.447 ( -12.280 0.000 27.943) 30.523 5.680 ( -0.309 0.000 15.380) 15.383 5.841 ( -2.860 0.000 32.533) 32.658 5.883 ( -3.209 0.000 19.185) 19.451 6.325 ( -6.729 0.000 32.374) 33.065 6.368 ( 4.287 0.000 35.407) 35.666 6.783 ( -9.019 0.000 30.230) 31.547 6.802 ( 0.595 0.000 40.047) 40.051 6.900 ( -3.509 0.000 25.691) 25.929 6.910 ( 21.527 0.000 16.730) 27.263 7.008 ( 4.000 0.000 38.309) 38.517 7.172 ( -5.917 0.000 37.900) 38.359 7.275 ( -5.685 0.000 9.940) 11.451 7.502 ( 0.097 0.000 10.741) 10.741 7.526 ( 7.768 0.000 29.532) 30.536 7.911 ( 0.576 0.000 8.522) 8.542 8.099 ( -14.659 0.000 33.011) 36.119 8.217 ( -34.620 0.000 23.814) 42.019 8.259 ( 10.508 0.000 14.582) 17.974 8.288 ( -3.082 0.000 15.363) 15.669 8.508 ( 2.232 0.000 22.974) 23.082 9.126 ( 14.247 0.000 21.961) 26.178 9.173 ( 3.866 0.000 39.692) 39.880 9.336 ( 12.064 0.000 21.894) 24.998 9.397 ( 14.526 0.000 18.364) 23.414 9.749 ( 3.847 0.000 -2.089) 4.378 9.869 ( 3.858 0.000 -0.959) 3.975 9.929 ( -2.739 0.000 4.043) 4.884 10.305 ( -9.648 0.000 -0.678) 9.672 10.515 ( 2.921 0.000 26.460) 26.620 10.518 ( 5.380 0.000 9.230) 10.683 10.646 ( -6.595 0.000 5.439) 8.549 10.688 ( -5.854 0.000 -5.841) 8.269 10.912 ( 14.695 0.000 28.750) 32.288 10.945 ( -3.887 0.000 11.808) 12.431 10.955 ( 8.350 0.000 16.602) 18.584 10.986 ( -15.170 0.000 7.828) 17.071 11.377 ( -9.738 0.000 9.927) 13.906 11.617 ( -9.499 0.000 31.775) 33.165 11.751 ( 3.756 0.000 12.097) 12.667 11.939 ( -2.575 0.000 21.583) 21.736 12.154 ( -1.644 0.000 9.189) 9.335 12.252 ( -2.513 0.000 13.767) 13.994 12.303 ( -0.216 0.000 9.897) 9.900 12.441 ( -0.975 0.000 20.659) 20.682 12.567 ( 11.228 0.000 7.392) 13.443 12.638 ( 10.039 0.000 -2.349) 10.310 12.716 ( -7.310 0.000 0.265) 7.315 12.816 ( 0.923 0.000 1.651) 1.891 12.949 ( -1.670 0.000 -1.443) 2.207 13.032 ( -5.205 0.000 1.642) 5.458 13.053 ( 0.264 0.000 0.627) 0.680 13.106 ( -10.105 0.000 2.398) 10.386 13.277 ( -6.857 0.000 3.275) 7.599 13.327 ( -6.022 0.000 -0.566) 6.049 13.627 ( 0.850 0.000 -10.936) 10.969 13.642 ( 0.830 0.000 -14.830) 14.853 13.874 ( -7.050 0.000 -11.381) 13.388 13.887 ( -5.168 0.000 -9.418) 10.743 14.354 ( 7.564 0.000 0.096) 7.565 14.475 ( 3.821 0.000 8.207) 9.052 14.741 ( -0.044 0.000 5.441) 5.442 14.882 ( -16.481 0.000 -4.257) 17.022 15.168 ( 4.444 0.000 8.702) 9.771 15.245 ( -1.677 0.000 21.262) 21.328 15.345 ( 22.126 0.000 -6.116) 22.955 15.445 ( 5.406 0.000 13.254) 14.314 15.551 ( 6.064 0.000 16.148) 17.249 15.752 ( -3.822 0.000 3.182) 4.974 15.824 ( -0.902 0.000 6.715) 6.776 16.027 ( -7.787 0.000 -15.388) 17.246 16.231 ( 5.230 0.000 6.193) 8.106 16.491 ( -3.093 0.000 -2.333) 3.874 17.690 ( 0.773 0.000 1.331) 1.539 17.862 ( 6.544 0.000 -2.914) 7.164 17.978 ( -0.186 0.000 2.626) 2.633 18.404 ( 15.489 0.000 -6.366) 16.746 18.507 ( -10.140 0.000 -12.641) 16.206 18.844 ( -18.306 0.000 -3.720) 18.680 19.944 ( -0.074 0.000 1.997) 1.999 19.951 ( -0.567 0.000 0.210) 0.605 20.316 ( -3.002 0.000 -2.771) 4.085 20.409 ( -8.597 0.000 -3.913) 9.446 21.015 ( 10.998 0.000 -5.850) 12.457 21.327 ( -5.390 0.000 -8.903) 10.407 21.392 ( 18.836 0.000 -13.966) 23.449 21.945 ( 1.986 0.000 -12.089) 12.251 21.987 ( -3.261 0.000 -15.593) 15.930 22.165 ( -16.450 0.000 -25.081) 29.994 22.669 ( -4.861 0.000 -16.868) 17.554 22.704 ( -5.816 0.000 -15.091) 16.173 22.814 ( 4.781 0.000 -20.606) 21.154 22.874 ( -1.166 0.000 -21.052) 21.084 23.929 ( 23.705 0.000 -15.901) 28.544 24.408 ( 1.147 0.000 -7.485) 7.573 24.443 ( 9.509 0.000 -11.619) 15.014 24.677 ( -1.122 0.000 -6.478) 6.574 25.000 ( 0.386 0.000 -12.073) 12.079 25.311 ( -10.462 0.000 3.162) 10.929 25.350 ( 8.907 0.000 -7.946) 11.936 25.789 ( -12.677 0.000 -13.466) 18.494 26.862 ( 0.264 0.000 0.399) 0.479 26.911 ( -2.118 0.000 -0.402) 2.156 ======================= Grid point 45 (20/72) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -17.631 0.000 15.823) 23.690 2.955 ( 17.631 0.000 15.823) 23.690 3.264 ( -11.030 0.000 18.476) 21.518 3.264 ( 11.030 0.000 18.476) 21.518 3.621 ( -6.527 0.000 34.768) 35.376 3.621 ( 6.527 0.000 34.768) 35.376 3.846 ( -2.312 0.000 21.012) 21.138 3.846 ( 2.312 0.000 21.012) 21.138 4.417 ( -29.782 0.000 21.287) 36.608 4.417 ( 29.782 0.000 21.287) 36.608 4.532 ( -10.791 0.000 23.261) 25.643 4.532 ( 10.791 0.000 23.261) 25.643 4.901 ( -1.092 0.000 30.989) 31.008 4.901 ( 1.092 0.000 30.989) 31.008 4.988 ( -3.866 0.000 30.697) 30.939 4.988 ( 3.866 0.000 30.697) 30.939 5.254 ( -10.480 0.000 27.861) 29.767 5.254 ( 10.480 0.000 27.861) 29.767 5.801 ( -3.360 0.000 22.754) 23.001 5.801 ( 3.360 0.000 22.754) 23.001 6.039 ( -24.333 0.000 36.371) 43.760 6.039 ( 24.333 0.000 36.371) 43.760 6.469 ( -9.562 0.000 30.055) 31.540 6.469 ( 9.562 0.000 30.055) 31.540 6.839 ( -3.059 0.000 36.384) 36.512 6.839 ( 3.059 0.000 36.384) 36.512 7.152 ( -2.374 0.000 36.726) 36.803 7.152 ( 2.374 0.000 36.726) 36.803 7.187 ( -4.695 0.000 16.373) 17.033 7.187 ( 4.695 0.000 16.373) 17.033 7.555 ( -4.870 0.000 11.131) 12.150 7.555 ( 4.871 0.000 11.131) 12.150 7.845 ( -6.708 0.000 34.335) 34.984 7.845 ( 6.708 0.000 34.335) 34.984 8.093 ( -10.572 0.000 24.807) 26.965 8.093 ( 10.572 0.000 24.807) 26.965 8.467 ( -7.342 0.000 13.403) 15.282 8.467 ( 7.342 0.000 13.403) 15.282 9.211 ( -0.194 0.000 35.280) 35.281 9.211 ( 0.194 0.000 35.280) 35.281 9.563 ( -3.991 0.000 20.801) 21.181 9.563 ( 3.991 0.000 20.801) 21.181 9.797 ( -4.733 0.000 -6.427) 7.982 9.797 ( 4.733 0.000 -6.427) 7.982 10.095 ( -12.960 0.000 -0.989) 12.998 10.095 ( 12.960 0.000 -0.989) 12.998 10.462 ( -1.229 0.000 20.418) 20.455 10.462 ( 1.229 0.000 20.418) 20.455 10.736 ( -9.367 0.000 1.174) 9.440 10.736 ( 9.367 0.000 1.174) 9.440 10.923 ( -21.392 0.000 1.950) 21.481 10.923 ( 21.392 0.000 1.950) 21.481 10.965 ( -3.336 0.000 13.766) 14.164 10.965 ( 3.336 0.000 13.766) 14.164 11.343 ( -16.650 0.000 35.551) 39.256 11.343 ( 16.650 0.000 35.551) 39.256 11.855 ( -5.433 0.000 16.647) 17.511 11.855 ( 5.433 0.000 16.647) 17.511 12.270 ( -1.401 0.000 14.355) 14.423 12.270 ( 1.401 0.000 14.355) 14.423 12.300 ( -9.092 0.000 14.684) 17.271 12.300 ( 9.092 0.000 14.684) 17.271 12.646 ( -1.092 0.000 3.562) 3.726 12.646 ( 1.092 0.000 3.562) 3.726 12.804 ( -4.205 0.000 -1.263) 4.391 12.804 ( 4.205 0.000 -1.263) 4.391 12.943 ( -3.539 0.000 -0.217) 3.546 12.943 ( 3.539 0.000 -0.217) 3.546 13.035 ( -1.056 0.000 2.059) 2.314 13.035 ( 1.056 0.000 2.059) 2.314 13.246 ( -2.452 0.000 0.798) 2.579 13.246 ( 2.452 0.000 0.798) 2.579 13.657 ( -0.667 0.000 -13.218) 13.235 13.657 ( 0.667 0.000 -13.218) 13.235 13.815 ( -1.051 0.000 -13.737) 13.778 13.815 ( 1.051 0.000 -13.737) 13.778 14.467 ( -4.444 0.000 5.931) 7.411 14.467 ( 4.444 0.000 5.931) 7.411 14.722 ( -1.012 0.000 -1.411) 1.737 14.722 ( 1.012 0.000 -1.411) 1.737 15.210 ( -2.134 0.000 18.774) 18.895 15.210 ( 2.134 0.000 18.774) 18.895 15.605 ( -10.426 0.000 9.789) 14.301 15.605 ( 10.426 0.000 9.789) 14.301 15.668 ( -0.923 0.000 3.581) 3.698 15.668 ( 0.923 0.000 3.581) 3.698 15.808 ( -11.700 0.000 -0.870) 11.732 15.808 ( 11.700 0.000 -0.870) 11.732 16.371 ( -8.097 0.000 1.123) 8.175 16.371 ( 8.097 0.000 1.123) 8.175 17.793 ( -7.915 0.000 0.631) 7.940 17.793 ( 7.915 0.000 0.631) 7.940 18.191 ( -18.018 0.000 -4.520) 18.576 18.191 ( 18.018 0.000 -4.520) 18.576 18.646 ( -10.082 0.000 -11.009) 14.928 18.646 ( 10.082 0.000 -11.009) 14.928 19.949 ( -0.102 0.000 0.737) 0.744 19.949 ( 0.102 0.000 0.737) 0.744 20.301 ( -2.380 0.000 -2.809) 3.681 20.301 ( 2.380 0.000 -2.809) 3.681 21.199 ( -8.596 0.000 -7.173) 11.195 21.199 ( 8.596 0.000 -7.173) 11.195 21.759 ( -20.462 0.000 -14.855) 25.285 21.759 ( 20.462 0.000 -14.855) 25.285 21.986 ( -2.721 0.000 -18.400) 18.600 21.986 ( 2.721 0.000 -18.400) 18.600 22.627 ( -1.449 0.000 -15.958) 16.023 22.627 ( 1.449 0.000 -15.958) 16.023 22.868 ( -0.919 0.000 -21.616) 21.636 22.868 ( 0.919 0.000 -21.616) 21.636 24.275 ( -13.734 0.000 -11.168) 17.702 24.275 ( 13.734 0.000 -11.168) 17.702 24.607 ( -7.487 0.000 -9.026) 11.728 24.607 ( 7.487 0.000 -9.026) 11.728 25.109 ( -10.388 0.000 -6.072) 12.033 25.109 ( 10.388 0.000 -6.072) 12.033 25.551 ( -12.592 0.000 -9.395) 15.711 25.551 ( 12.592 0.000 -9.395) 15.711 26.877 ( -1.417 0.000 0.279) 1.444 26.877 ( 1.417 0.000 0.279) 1.444 ======================= Grid point 49 (21/72) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.000 21.373 42.715) 47.763 2.218 ( 0.000 13.552 39.227) 41.501 2.795 ( 0.000 -27.182 29.903) 40.410 2.815 ( 0.000 -22.719 30.947) 38.391 3.460 ( 0.000 3.486 0.794) 3.575 3.538 ( 0.000 -2.510 2.547) 3.576 3.689 ( 0.000 2.531 34.487) 34.579 3.724 ( 0.000 -0.998 32.709) 32.724 4.230 ( 0.000 23.453 26.646) 35.497 4.280 ( 0.000 22.165 27.271) 35.142 4.414 ( 0.000 12.936 70.889) 72.060 4.727 ( 0.000 -15.657 26.341) 30.643 5.009 ( 0.000 -16.219 17.301) 23.715 5.067 ( 0.000 -16.794 40.249) 43.612 5.278 ( 0.000 0.647 39.322) 39.328 5.425 ( 0.000 -17.222 42.163) 45.544 5.659 ( 0.000 7.836 15.366) 17.249 5.757 ( 0.000 -0.411 24.120) 24.124 5.859 ( 0.000 9.550 12.624) 15.829 5.977 ( 0.000 -2.582 22.861) 23.006 6.027 ( 0.000 -2.182 27.057) 27.145 6.063 ( 0.000 -9.320 34.625) 35.857 6.493 ( 0.000 12.509 35.468) 37.609 6.545 ( 0.000 6.377 34.836) 35.415 6.770 ( 0.000 18.037 11.763) 21.533 6.964 ( 0.000 5.813 42.705) 43.099 6.967 ( 0.000 0.986 29.854) 29.871 7.208 ( 0.000 11.205 34.141) 35.932 7.341 ( 0.000 -24.299 8.843) 25.858 7.408 ( 0.000 -2.210 -2.029) 3.000 7.554 ( 0.000 -0.486 2.253) 2.305 7.631 ( 0.000 -7.387 23.370) 24.510 7.712 ( 0.000 -1.795 40.982) 41.022 7.906 ( 0.000 -13.654 31.233) 34.087 8.025 ( 0.000 1.944 4.798) 5.176 8.041 ( 0.000 -0.144 3.671) 3.674 8.561 ( 0.000 16.952 7.260) 18.441 8.693 ( 0.000 11.951 34.883) 36.873 8.897 ( 0.000 -5.174 14.038) 14.961 9.069 ( 0.000 -11.629 37.697) 39.450 9.316 ( 0.000 5.438 20.471) 21.182 9.487 ( 0.000 -9.537 11.293) 14.781 9.796 ( 0.000 6.734 1.196) 6.839 9.939 ( 0.000 -6.373 5.218) 8.237 9.990 ( 0.000 14.460 6.961) 16.048 10.307 ( 0.000 -10.931 2.749) 11.272 10.337 ( 0.000 3.484 31.300) 31.493 10.434 ( 0.000 -2.462 4.639) 5.252 10.477 ( 0.000 -3.221 5.710) 6.556 10.485 ( 0.000 -4.631 21.928) 22.412 10.896 ( 0.000 15.395 13.779) 20.661 11.032 ( 0.000 13.776 -1.345) 13.841 11.253 ( 0.000 -10.176 17.543) 20.280 11.392 ( 0.000 -13.694 -0.545) 13.705 11.550 ( 0.000 5.091 24.726) 25.244 11.678 ( 0.000 -2.011 15.637) 15.766 11.747 ( 0.000 1.279 0.914) 1.572 11.816 ( 0.000 -2.886 -0.052) 2.887 11.931 ( 0.000 1.524 27.968) 28.009 11.970 ( 0.000 -5.417 20.077) 20.795 12.333 ( 0.000 1.145 6.544) 6.644 12.342 ( 0.000 0.461 11.367) 11.376 12.395 ( 0.000 4.630 18.627) 19.194 12.533 ( 0.000 -6.640 13.403) 14.957 12.868 ( 0.000 5.722 5.027) 7.617 12.951 ( 0.000 -1.732 2.617) 3.138 13.054 ( 0.000 1.877 -1.281) 2.272 13.078 ( 0.000 -0.387 -1.832) 1.873 13.390 ( 0.000 3.085 -0.791) 3.185 13.479 ( 0.000 4.550 -6.378) 7.835 13.503 ( 0.000 -3.093 -5.343) 6.174 13.588 ( 0.000 0.798 -1.492) 1.692 13.737 ( 0.000 -2.410 -1.071) 2.637 13.784 ( 0.000 5.761 -6.087) 8.381 13.810 ( 0.000 -8.941 1.497) 9.065 13.986 ( 0.000 -11.136 -4.879) 12.158 14.134 ( 0.000 6.099 -6.207) 8.702 14.298 ( 0.000 -6.184 -1.246) 6.308 14.537 ( 0.000 4.964 0.191) 4.968 14.659 ( 0.000 -6.129 11.198) 12.766 15.070 ( 0.000 9.971 7.819) 12.671 15.266 ( 0.000 -6.067 16.083) 17.190 15.478 ( 0.000 5.056 18.637) 19.311 15.550 ( 0.000 -1.568 9.787) 9.912 15.725 ( 0.000 11.959 1.085) 12.008 15.734 ( 0.000 4.669 -14.359) 15.099 15.833 ( 0.000 12.280 -4.232) 12.989 15.950 ( 0.000 -1.996 -3.403) 3.945 16.154 ( 0.000 -14.256 -2.800) 14.529 16.173 ( 0.000 -12.457 4.673) 13.305 17.735 ( 0.000 -0.944 -0.075) 0.947 17.846 ( 0.000 17.941 11.313) 21.210 17.939 ( 0.000 -16.178 3.932) 16.649 18.226 ( 0.000 14.171 -11.493) 18.246 18.296 ( 0.000 -16.728 -12.350) 20.794 18.633 ( 0.000 -35.719 13.425) 38.159 20.134 ( 0.000 9.996 2.049) 10.204 20.343 ( 0.000 -6.847 -2.111) 7.165 20.640 ( 0.000 1.362 -4.048) 4.271 20.673 ( 0.000 -0.085 -6.311) 6.311 20.773 ( 0.000 1.164 -8.312) 8.393 20.813 ( 0.000 0.297 -9.027) 9.032 21.885 ( 0.000 7.915 -15.708) 17.589 21.985 ( 0.000 -4.847 -18.754) 19.370 22.177 ( 0.000 37.710 -25.905) 45.750 22.379 ( 0.000 4.530 -18.872) 19.408 22.408 ( 0.000 3.727 -17.457) 17.851 22.786 ( 0.000 -10.198 -19.971) 22.425 22.939 ( 0.000 -1.013 -18.068) 18.097 23.016 ( 0.000 -5.677 -18.179) 19.045 23.317 ( 0.000 8.676 -8.825) 12.375 23.656 ( 0.000 -22.314 -16.005) 27.461 24.594 ( 0.000 17.257 -6.775) 18.539 24.828 ( 0.000 6.726 -10.120) 12.151 24.909 ( 0.000 -10.680 5.291) 11.919 25.035 ( 0.000 -10.993 -9.457) 14.501 25.728 ( 0.000 12.578 -1.217) 12.637 25.971 ( 0.000 -8.596 -13.764) 16.227 26.889 ( 0.000 1.413 -0.691) 1.572 26.936 ( 0.000 -2.344 -1.521) 2.794 ======================= Grid point 50 (22/72) ======================= q-point: ( 0.17 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 16.293 16.451 40.459) 46.616 2.516 ( 24.805 2.449 30.830) 39.646 2.823 ( 10.913 -13.066 30.806) 35.197 3.069 ( 17.679 -17.968 22.707) 33.926 3.466 ( 1.971 2.464 6.496) 7.222 3.575 ( 3.866 -4.283 3.644) 6.824 3.701 ( 0.972 1.830 33.131) 33.195 3.735 ( 1.829 -0.878 31.377) 31.442 4.139 ( -2.559 22.152 28.650) 36.306 4.365 ( -3.841 13.163 19.218) 23.608 4.495 ( 9.813 4.311 58.854) 59.822 4.716 ( 0.176 -5.838 21.844) 22.611 4.967 ( -2.497 -7.260 33.468) 34.337 5.006 ( -3.845 -10.282 39.951) 41.432 5.218 ( -9.247 2.059 40.246) 41.346 5.373 ( -7.187 -11.325 37.761) 40.072 5.604 ( -11.992 3.829 16.768) 20.967 5.612 ( -6.000 -1.693 20.338) 21.272 5.788 ( -9.994 6.494 32.793) 34.892 5.875 ( -5.311 -0.259 21.199) 21.856 5.936 ( -8.740 -6.015 25.741) 27.842 6.058 ( 5.031 -14.361 24.236) 28.617 6.508 ( -3.452 9.289 38.312) 39.573 6.641 ( 7.244 -0.282 39.912) 40.565 6.731 ( 0.959 15.791 18.581) 24.404 6.940 ( 1.091 0.511 29.636) 29.660 7.060 ( 2.272 12.331 29.776) 32.308 7.189 ( -0.742 3.609 34.116) 34.315 7.313 ( -11.134 -1.734 7.959) 13.796 7.374 ( -3.477 -10.956 17.889) 21.264 7.512 ( -7.716 1.986 11.947) 14.360 7.591 ( 8.332 -4.423 13.642) 16.586 7.648 ( 0.711 1.926 16.188) 16.318 7.954 ( 1.768 -17.345 30.530) 35.158 8.109 ( 7.582 3.805 10.093) 13.184 8.196 ( 9.797 -3.350 12.934) 16.568 8.627 ( 1.233 10.129 12.085) 15.817 8.804 ( 11.379 9.801 36.775) 39.723 8.813 ( -13.547 -7.904 11.785) 19.618 9.038 ( -0.298 -9.226 40.333) 41.376 9.324 ( 0.664 4.763 19.404) 19.991 9.398 ( -8.069 3.730 21.564) 23.324 9.644 ( 0.466 6.121 1.528) 6.326 9.833 ( -1.357 -2.800 0.959) 3.255 10.057 ( -1.354 4.177 2.632) 5.119 10.254 ( -3.735 -12.165 3.267) 13.138 10.411 ( -1.399 -0.050 16.978) 17.036 10.456 ( -0.821 -1.927 12.108) 12.288 10.561 ( 13.125 0.759 18.177) 22.433 10.642 ( 14.600 -4.607 18.874) 24.302 10.911 ( -3.074 8.506 2.214) 9.312 11.011 ( -3.690 10.898 5.322) 12.677 11.115 ( -11.403 -3.712 20.165) 23.461 11.181 ( -17.395 -7.056 0.925) 18.794 11.478 ( 0.605 4.167 18.242) 18.722 11.643 ( 0.743 -5.814 20.913) 21.719 11.759 ( 0.627 2.433 13.707) 13.935 11.827 ( 0.645 -5.279 15.264) 16.164 12.193 ( 16.835 -0.097 7.574) 18.460 12.212 ( 15.502 -1.870 7.734) 17.425 12.298 ( -2.278 2.564 11.007) 11.529 12.338 ( 1.228 -0.559 14.853) 14.914 12.409 ( 1.385 4.916 14.124) 15.019 12.543 ( -0.307 -7.040 12.526) 14.373 12.857 ( -1.660 5.374 4.113) 6.968 12.914 ( -5.627 -0.796 0.207) 5.686 13.011 ( -3.214 2.998 -1.153) 4.544 13.057 ( -2.013 -1.096 -1.840) 2.939 13.236 ( -11.471 5.410 1.591) 12.782 13.330 ( -12.058 3.744 2.619) 12.895 13.394 ( -9.846 -6.330 -0.883) 11.739 13.438 ( -13.429 -3.991 -1.408) 14.080 13.652 ( -2.835 1.756 -10.889) 11.388 13.674 ( -2.762 0.255 -7.787) 8.266 13.936 ( 0.284 -1.752 -4.220) 4.578 13.989 ( -5.105 -5.446 -4.856) 8.905 14.198 ( 9.153 4.160 -3.354) 10.599 14.324 ( 5.106 -4.648 1.630) 7.095 14.696 ( 7.524 1.384 5.805) 9.603 14.774 ( 10.579 -6.394 2.084) 12.536 15.136 ( 5.851 8.006 6.821) 12.036 15.305 ( 2.150 -0.196 18.943) 19.066 15.324 ( -10.369 0.337 7.332) 12.704 15.422 ( -5.384 -0.862 11.548) 12.770 15.605 ( -8.052 4.440 -4.601) 10.282 15.758 ( 3.437 -0.293 2.352) 4.175 15.835 ( -3.565 9.464 5.648) 11.583 16.033 ( 1.400 -2.320 -14.167) 14.424 16.190 ( 5.687 -2.671 7.251) 9.594 16.322 ( 11.340 -9.154 -0.602) 14.586 17.690 ( -5.522 -0.989 0.752) 5.660 17.798 ( -2.406 -4.856 8.952) 10.465 18.004 ( 5.308 6.475 0.952) 8.427 18.204 ( 5.074 1.821 -4.224) 6.849 18.442 ( 8.558 -3.726 -17.161) 19.536 18.664 ( 1.606 -26.840 7.675) 27.962 20.098 ( -3.161 9.804 1.648) 10.432 20.301 ( -4.256 -5.863 -2.524) 7.672 20.466 ( -13.294 10.447 -5.591) 17.808 20.558 ( -8.644 -1.297 -5.530) 10.343 20.877 ( 7.614 3.122 -6.268) 10.345 20.963 ( 11.627 -5.329 -8.818) 15.535 21.774 ( -11.821 23.072 -18.864) 32.061 21.933 ( -1.256 0.358 -12.547) 12.615 22.048 ( -4.356 6.254 -19.247) 20.701 22.399 ( -7.197 2.527 -19.818) 21.235 22.472 ( -0.595 -9.199 -21.889) 23.751 22.547 ( -10.221 -17.044 -15.122) 24.973 22.959 ( 2.670 8.591 -18.389) 20.472 23.056 ( -1.715 0.372 -18.558) 18.641 23.566 ( 23.748 9.801 -14.275) 29.391 23.873 ( 18.106 -17.290 -16.334) 29.893 24.644 ( 4.946 15.931 -5.295) 17.501 24.799 ( -3.212 6.997 -6.865) 10.315 24.922 ( 0.792 -9.002 -2.652) 9.418 25.022 ( -0.524 -12.770 -7.700) 14.921 25.682 ( -4.613 12.295 -2.646) 13.395 25.906 ( -6.680 -7.525 -12.665) 16.175 26.880 ( -0.785 1.372 -0.328) 1.614 26.923 ( -1.365 -2.080 -1.089) 2.716 ======================= Grid point 51 (23/72) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 25.528 9.795 31.785) 41.927 2.887 ( 16.147 -14.966 23.963) 32.541 3.167 ( 11.399 5.850 11.978) 17.540 3.260 ( 6.021 2.054 14.511) 15.844 3.542 ( 3.814 -1.016 23.659) 23.986 3.660 ( 1.805 -3.768 28.455) 28.760 3.752 ( 6.718 2.394 26.008) 26.969 3.903 ( 21.813 -10.240 23.649) 33.763 4.119 ( -7.549 15.595 22.128) 28.104 4.231 ( 4.139 5.366 22.940) 23.920 4.533 ( -9.304 -7.130 13.794) 18.102 4.718 ( -2.598 -16.458 20.206) 26.190 4.907 ( -22.132 3.891 36.496) 42.859 4.986 ( 4.025 7.825 53.533) 54.251 5.015 ( -8.741 -2.826 38.485) 39.566 5.110 ( -10.684 -1.046 34.115) 35.764 5.360 ( -6.926 7.457 21.740) 24.004 5.578 ( 3.887 -7.818 30.653) 31.872 5.639 ( -6.403 6.604 26.222) 27.788 5.806 ( -4.776 -6.106 26.812) 27.910 5.874 ( 5.403 9.526 30.236) 32.158 6.190 ( 4.623 -12.261 27.976) 30.893 6.465 ( 1.117 2.817 37.576) 37.698 6.597 ( -1.834 -7.039 34.138) 34.905 6.853 ( -5.205 7.564 22.647) 24.437 6.954 ( 4.036 3.869 17.672) 18.535 6.999 ( -15.327 2.586 26.692) 30.888 7.098 ( 1.213 -0.709 27.412) 27.448 7.161 ( 0.565 3.653 37.323) 37.506 7.341 ( 0.797 -9.261 29.564) 30.991 7.445 ( -2.456 12.127 8.268) 14.881 7.638 ( -2.731 2.045 15.856) 16.219 7.820 ( 12.320 -3.858 13.211) 18.472 7.938 ( -3.023 -10.567 34.097) 35.825 8.199 ( -6.742 1.571 21.497) 22.584 8.249 ( -4.892 -1.818 22.459) 23.058 8.427 ( -10.710 8.237 12.641) 18.503 8.544 ( -6.067 -1.047 16.826) 17.917 9.075 ( 14.629 -0.973 30.133) 33.511 9.123 ( 6.909 -3.839 39.458) 40.242 9.357 ( 4.211 2.961 21.636) 22.240 9.434 ( 6.065 -1.563 18.917) 19.926 9.775 ( 9.726 6.439 -4.363) 12.453 9.910 ( 7.478 -0.438 -1.054) 7.565 9.993 ( -3.918 5.377 0.818) 6.703 10.154 ( -6.397 -10.094 -1.198) 12.010 10.441 ( -0.852 -3.734 20.068) 20.430 10.448 ( 6.936 -4.518 11.777) 14.395 10.714 ( -3.544 2.182 5.965) 7.273 10.719 ( -3.321 1.961 13.013) 13.573 10.832 ( -5.076 -0.784 19.671) 20.330 10.861 ( -4.928 -2.697 24.273) 24.914 10.999 ( -2.539 0.618 4.042) 4.813 11.051 ( 0.647 -0.873 3.253) 3.430 11.465 ( -2.920 9.958 15.795) 18.899 11.644 ( 0.379 -2.574 25.284) 25.418 11.760 ( -0.645 1.857 16.719) 16.834 11.842 ( 0.359 -5.722 17.877) 18.774 12.239 ( -4.275 4.221 9.432) 11.183 12.281 ( -0.410 0.632 12.660) 12.682 12.329 ( -0.879 3.267 15.061) 15.436 12.409 ( -0.135 -2.959 19.982) 20.200 12.580 ( 12.398 1.247 4.955) 13.410 12.615 ( 11.230 -1.727 0.413) 11.370 12.758 ( -7.910 3.263 -0.721) 8.587 12.811 ( -3.307 -1.015 0.522) 3.499 12.950 ( -2.830 0.955 -0.556) 3.038 13.003 ( -4.806 -3.282 0.254) 5.825 13.082 ( -6.612 3.997 2.842) 8.232 13.138 ( -7.733 0.899 3.151) 8.399 13.239 ( -3.785 -1.987 1.667) 4.588 13.275 ( -4.158 -3.787 -0.148) 5.626 13.641 ( 0.552 0.562 -12.806) 12.830 13.643 ( -0.318 0.199 -13.146) 13.152 13.867 ( -5.436 0.013 -11.069) 12.332 13.881 ( -4.654 -0.722 -10.072) 11.119 14.366 ( 8.011 2.056 1.371) 8.384 14.444 ( 5.888 -3.491 5.649) 8.875 14.729 ( -3.845 -0.413 3.169) 5.000 14.769 ( -9.248 -4.986 -1.261) 10.582 15.212 ( 2.551 3.628 11.567) 12.388 15.287 ( 3.801 2.130 14.579) 15.216 15.331 ( 1.349 -2.224 14.861) 15.087 15.481 ( 5.606 -6.501 17.108) 19.140 15.546 ( 4.669 7.994 -1.993) 9.470 15.752 ( 0.564 -0.852 4.958) 5.062 15.847 ( 2.858 2.590 -3.154) 4.982 15.995 ( -5.775 -3.268 -11.646) 13.404 16.280 ( 3.701 5.617 10.659) 12.604 16.434 ( -0.370 -5.694 1.516) 5.904 17.626 ( 0.250 -0.140 3.725) 3.736 17.750 ( -3.324 -10.261 2.956) 11.184 18.140 ( 10.061 13.788 -4.897) 17.757 18.372 ( 10.091 -4.274 -8.764) 14.032 18.537 ( -0.023 1.486 -11.169) 11.267 18.644 ( -2.941 -10.758 -2.173) 11.362 20.055 ( -0.667 9.160 0.376) 9.191 20.200 ( -7.036 9.058 -4.117) 12.186 20.270 ( -5.593 -1.287 -1.980) 6.071 20.389 ( -8.891 -2.471 -4.566) 10.296 21.041 ( 9.355 2.848 -6.775) 11.896 21.154 ( 7.561 -7.672 -8.704) 13.848 21.625 ( -2.386 15.431 -15.234) 21.815 21.925 ( -2.316 -4.379 -15.043) 15.838 22.000 ( -1.804 0.640 -15.472) 15.590 22.070 ( -15.656 -8.878 -19.051) 26.209 22.466 ( -0.500 -6.064 -18.574) 19.546 22.509 ( -2.188 -7.948 -16.246) 18.218 22.985 ( 0.918 6.648 -19.604) 20.721 23.016 ( -1.556 4.020 -19.242) 19.719 23.996 ( 20.214 5.977 -15.182) 25.977 24.174 ( 12.413 -10.093 -12.900) 20.552 24.704 ( -2.347 11.298 -3.907) 12.183 24.742 ( -0.932 5.543 -4.053) 6.930 24.927 ( 2.339 -4.758 -14.548) 15.484 25.046 ( 1.954 -12.606 -4.695) 13.593 25.591 ( -3.864 10.198 -5.980) 12.438 25.749 ( -9.537 -4.250 -10.763) 14.995 26.868 ( -0.316 0.736 0.185) 0.822 26.893 ( -1.574 -1.353 -0.239) 2.090 ======================= Grid point 52 (24/72) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( -17.752 6.104 16.901) 25.260 3.028 ( 17.752 6.104 16.901) 25.260 3.178 ( -15.520 -6.668 18.239) 24.860 3.178 ( 15.520 -6.668 18.239) 24.860 3.645 ( -3.380 1.455 33.491) 33.692 3.645 ( 3.380 1.455 33.491) 33.692 3.959 ( -10.042 8.378 18.779) 22.884 3.959 ( 10.042 8.378 18.779) 22.884 4.345 ( -8.829 -9.912 14.838) 19.908 4.345 ( 8.829 -9.912 14.838) 19.908 4.534 ( -18.509 0.814 26.221) 32.106 4.534 ( 18.509 0.814 26.221) 32.106 4.588 ( -8.422 -6.493 34.062) 35.684 4.588 ( 8.422 -6.493 34.062) 35.684 5.079 ( -2.132 -3.338 27.811) 28.092 5.079 ( 2.132 -3.338 27.811) 28.092 5.444 ( -12.204 14.208 35.377) 40.029 5.444 ( 12.204 14.208 35.377) 40.029 5.715 ( -6.281 -9.801 31.786) 33.850 5.715 ( 6.281 -9.801 31.786) 33.850 6.111 ( -13.805 7.023 30.208) 33.947 6.111 ( 13.805 7.023 30.208) 33.947 6.543 ( -11.458 5.416 25.538) 28.510 6.543 ( 11.458 5.416 25.538) 28.510 6.757 ( -12.655 -7.862 29.894) 33.400 6.757 ( 12.655 -7.862 29.894) 33.400 7.082 ( -4.974 -3.445 21.328) 22.170 7.082 ( 4.974 -3.445 21.328) 22.170 7.265 ( -10.296 5.750 44.685) 46.215 7.265 ( 10.296 5.750 44.685) 46.215 7.510 ( -9.489 -4.132 14.532) 17.841 7.510 ( 9.489 -4.132 14.532) 17.841 7.920 ( -3.427 6.762 26.191) 27.266 7.920 ( 3.427 6.762 26.191) 27.266 8.096 ( -9.495 -2.180 21.904) 23.973 8.096 ( 9.495 -2.180 21.904) 23.973 8.462 ( -4.839 -0.188 13.241) 14.099 8.462 ( 4.839 -0.188 13.241) 14.099 9.216 ( -1.113 0.893 32.636) 32.667 9.216 ( 1.113 0.893 32.636) 32.667 9.461 ( -4.684 -5.811 23.376) 24.538 9.461 ( 4.684 -5.811 23.376) 24.538 9.885 ( -3.812 7.428 -4.550) 9.508 9.885 ( 3.812 7.428 -4.550) 9.508 10.058 ( -4.112 -5.931 -1.082) 7.297 10.058 ( 4.112 -5.931 -1.082) 7.297 10.510 ( -10.112 4.786 17.055) 20.397 10.510 ( 10.112 4.786 17.055) 20.397 10.664 ( -7.107 -5.350 9.481) 13.001 10.664 ( 7.107 -5.350 9.481) 13.001 10.856 ( -10.461 -1.817 12.553) 16.441 10.856 ( 10.461 -1.817 12.553) 16.441 10.906 ( -7.874 -3.089 6.191) 10.482 10.906 ( 7.874 -3.089 6.191) 10.482 11.568 ( -10.851 12.709 28.715) 33.224 11.568 ( 10.851 12.709 28.715) 33.224 11.807 ( -4.675 -4.652 17.900) 19.076 11.807 ( 4.675 -4.652 17.900) 19.076 12.205 ( -5.000 -2.348 10.920) 12.238 12.205 ( 5.000 -2.348 10.920) 12.238 12.379 ( -3.556 3.036 16.100) 16.765 12.379 ( 3.556 3.036 16.100) 16.765 12.676 ( -1.048 2.422 2.462) 3.609 12.676 ( 1.048 2.422 2.462) 3.609 12.771 ( -3.292 -2.532 -0.621) 4.199 12.771 ( 3.292 -2.532 -0.621) 4.199 12.958 ( -4.144 1.222 -0.021) 4.321 12.958 ( 4.144 1.222 -0.021) 4.321 13.015 ( -4.748 -1.536 2.409) 5.541 13.015 ( 4.748 -1.536 2.409) 5.541 13.235 ( -1.353 -0.710 -0.323) 1.562 13.235 ( 1.353 -0.710 -0.323) 1.562 13.651 ( -0.411 -0.337 -12.768) 12.779 13.651 ( 0.411 -0.337 -12.768) 12.779 13.819 ( -0.897 0.199 -13.753) 13.784 13.819 ( 0.897 0.199 -13.753) 13.784 14.482 ( -3.483 1.167 6.957) 7.867 14.482 ( 3.483 1.167 6.957) 7.867 14.655 ( -1.431 -3.982 -2.295) 4.814 14.655 ( 1.431 -3.982 -2.295) 4.814 15.267 ( -3.135 5.075 18.125) 19.082 15.267 ( 3.135 5.075 18.125) 19.082 15.424 ( -5.792 -9.148 16.033) 19.347 15.424 ( 5.792 -9.148 16.033) 19.347 15.794 ( -10.547 4.877 -6.902) 13.516 15.794 ( 10.547 4.877 -6.902) 13.516 15.838 ( -1.578 0.892 -0.697) 1.942 15.838 ( 1.578 0.892 -0.697) 1.942 16.361 ( -5.469 -0.608 7.641) 9.417 16.361 ( 5.469 -0.608 7.641) 9.417 17.678 ( -4.161 -5.097 1.733) 6.804 17.678 ( 4.161 -5.097 1.733) 6.804 18.354 ( -11.511 9.518 -9.874) 17.905 18.354 ( 11.511 9.518 -9.874) 17.905 18.577 ( -5.750 -5.588 -6.805) 10.517 18.577 ( 5.750 -5.588 -6.805) 10.517 20.087 ( -4.138 10.171 -1.571) 11.093 20.087 ( 4.138 10.171 -1.571) 11.093 20.263 ( -3.972 -4.424 -2.890) 6.611 20.263 ( 3.972 -4.424 -2.890) 6.611 21.180 ( -4.481 -1.131 -7.934) 9.182 21.180 ( 4.481 -1.131 -7.934) 9.182 21.722 ( -11.922 -2.505 -15.031) 19.348 21.722 ( 11.922 -2.505 -15.031) 19.348 21.990 ( -0.925 0.435 -16.654) 16.686 21.990 ( 0.925 0.435 -16.654) 16.686 22.466 ( -1.386 -6.628 -17.067) 18.361 22.466 ( 1.386 -6.628 -17.067) 18.361 23.000 ( -0.636 5.052 -20.150) 20.783 23.000 ( 0.636 5.052 -20.150) 20.783 24.249 ( -5.766 -1.304 -11.012) 12.499 24.249 ( 5.766 -1.304 -11.012) 12.499 24.687 ( -2.822 4.977 -6.581) 8.720 24.687 ( 2.822 4.977 -6.581) 8.720 25.023 ( -5.043 -5.280 -9.319) 11.839 25.023 ( 5.043 -5.280 -9.319) 11.839 25.599 ( -5.348 2.409 -8.877) 10.640 25.599 ( 5.348 2.409 -8.877) 10.640 26.871 ( -0.728 -0.340 0.281) 0.851 26.871 ( 0.728 -0.340 0.281) 0.851 ======================= Grid point 63 (25/72) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 0.000 0.000 18.022) 18.022 2.810 ( 0.000 0.000 45.664) 45.664 3.378 ( 0.000 0.000 -5.354) 5.354 3.497 ( 0.000 0.000 24.347) 24.347 3.859 ( 0.000 0.000 33.696) 33.696 3.862 ( 0.000 0.000 26.615) 26.615 4.411 ( 0.000 0.000 36.931) 36.931 4.442 ( 0.000 0.000 28.264) 28.264 4.455 ( 0.000 0.000 35.867) 35.867 4.515 ( 0.000 0.000 32.062) 32.062 5.188 ( 0.000 0.000 15.290) 15.290 5.486 ( 0.000 0.000 8.174) 8.174 5.491 ( 0.000 0.000 27.004) 27.004 5.912 ( 0.000 0.000 20.954) 20.954 5.915 ( 0.000 0.000 25.537) 25.537 5.975 ( 0.000 0.000 8.296) 8.296 6.090 ( 0.000 0.000 13.609) 13.609 6.117 ( 0.000 0.000 56.006) 56.006 6.205 ( 0.000 0.000 23.946) 23.946 6.416 ( 0.000 0.000 16.961) 16.961 6.654 ( 0.000 0.000 15.389) 15.389 6.930 ( 0.000 0.000 22.527) 22.527 6.957 ( 0.000 0.000 25.903) 25.903 7.037 ( 0.000 0.000 26.492) 26.492 7.316 ( 0.000 0.000 51.237) 51.237 7.349 ( 0.000 0.000 1.463) 1.463 7.430 ( 0.000 0.000 14.651) 14.651 7.458 ( 0.000 0.000 17.172) 17.172 7.693 ( 0.000 0.000 11.618) 11.618 7.818 ( 0.000 0.000 1.167) 1.167 7.876 ( 0.000 0.000 37.599) 37.599 7.995 ( 0.000 0.000 11.021) 11.021 8.310 ( 0.000 0.000 21.674) 21.674 8.364 ( 0.000 0.000 42.233) 42.233 8.753 ( 0.000 0.000 54.385) 54.385 8.781 ( 0.000 0.000 38.900) 38.900 8.904 ( 0.000 0.000 20.131) 20.131 9.224 ( 0.000 0.000 32.284) 32.284 9.286 ( 0.000 0.000 34.720) 34.720 9.453 ( 0.000 0.000 9.289) 9.289 9.643 ( 0.000 0.000 0.375) 0.375 9.925 ( 0.000 0.000 13.989) 13.989 10.064 ( 0.000 0.000 22.058) 22.058 10.204 ( 0.000 0.000 23.387) 23.387 10.293 ( 0.000 0.000 18.230) 18.230 10.414 ( 0.000 0.000 4.173) 4.173 10.516 ( 0.000 0.000 12.533) 12.533 10.521 ( 0.000 0.000 33.668) 33.668 10.769 ( 0.000 0.000 -0.154) 0.154 10.852 ( 0.000 0.000 4.790) 4.790 10.940 ( 0.000 0.000 15.626) 15.626 11.416 ( 0.000 0.000 33.062) 33.062 11.663 ( 0.000 0.000 12.277) 12.277 11.678 ( 0.000 0.000 0.057) 0.057 11.766 ( 0.000 0.000 -3.649) 3.649 11.769 ( 0.000 0.000 7.566) 7.566 11.870 ( 0.000 0.000 20.283) 20.283 12.136 ( 0.000 0.000 20.309) 20.309 12.310 ( 0.000 0.000 4.306) 4.306 12.548 ( 0.000 0.000 25.289) 25.289 12.554 ( 0.000 0.000 6.884) 6.884 12.556 ( 0.000 0.000 32.364) 32.364 12.708 ( 0.000 0.000 12.691) 12.691 12.864 ( 0.000 0.000 16.524) 16.524 12.889 ( 0.000 0.000 2.909) 2.909 13.019 ( 0.000 0.000 -3.175) 3.175 13.042 ( 0.000 0.000 1.980) 1.980 13.045 ( 0.000 0.000 9.927) 9.927 13.374 ( 0.000 0.000 1.663) 1.663 13.401 ( 0.000 0.000 -2.390) 2.390 13.412 ( 0.000 0.000 0.969) 0.969 13.531 ( 0.000 0.000 -4.541) 4.541 13.603 ( 0.000 0.000 -4.333) 4.333 13.860 ( 0.000 0.000 14.232) 14.232 13.953 ( 0.000 0.000 -8.435) 8.435 13.981 ( 0.000 0.000 -1.057) 1.057 14.006 ( 0.000 0.000 -4.603) 4.603 14.232 ( 0.000 0.000 -3.360) 3.360 14.573 ( 0.000 0.000 10.241) 10.241 14.985 ( 0.000 0.000 9.202) 9.202 15.036 ( 0.000 0.000 5.776) 5.776 15.194 ( 0.000 0.000 -26.156) 26.156 15.220 ( 0.000 0.000 -27.291) 27.291 15.548 ( 0.000 0.000 -3.523) 3.523 15.684 ( 0.000 0.000 -6.843) 6.843 15.807 ( 0.000 0.000 8.366) 8.366 15.848 ( 0.000 0.000 22.063) 22.063 15.956 ( 0.000 0.000 5.889) 5.889 16.357 ( 0.000 0.000 12.496) 12.496 16.465 ( 0.000 0.000 18.284) 18.284 17.540 ( 0.000 0.000 -18.938) 18.938 17.725 ( 0.000 0.000 -1.620) 1.620 17.903 ( 0.000 0.000 -29.602) 29.602 18.163 ( 0.000 0.000 1.148) 1.148 18.199 ( 0.000 0.000 24.499) 24.499 19.548 ( 0.000 0.000 -5.885) 5.885 19.985 ( 0.000 0.000 -0.181) 0.181 20.309 ( 0.000 0.000 -5.546) 5.546 20.474 ( 0.000 0.000 4.363) 4.363 20.554 ( 0.000 0.000 -4.165) 4.165 20.621 ( 0.000 0.000 -7.127) 7.127 20.704 ( 0.000 0.000 -2.315) 2.315 21.194 ( 0.000 0.000 -12.163) 12.163 21.515 ( 0.000 0.000 -26.814) 26.814 21.751 ( 0.000 0.000 -8.573) 8.573 21.962 ( 0.000 0.000 -19.646) 19.646 22.004 ( 0.000 0.000 -14.608) 14.608 22.551 ( 0.000 0.000 -15.034) 15.034 22.628 ( 0.000 0.000 -16.299) 16.299 22.670 ( 0.000 0.000 -21.723) 21.723 23.073 ( 0.000 0.000 -8.073) 8.073 23.777 ( 0.000 0.000 -17.324) 17.324 23.898 ( 0.000 0.000 -16.664) 16.664 24.463 ( 0.000 0.000 -17.006) 17.006 24.803 ( 0.000 0.000 -20.380) 20.380 25.245 ( 0.000 0.000 9.683) 9.683 25.592 ( 0.000 0.000 -25.312) 25.312 25.708 ( 0.000 0.000 5.293) 5.293 26.835 ( 0.000 0.000 -3.848) 3.848 26.910 ( 0.000 0.000 -3.932) 3.932 ======================= Grid point 64 (26/72) ======================= q-point: ( 0.17 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 12.948 0.000 7.665) 15.047 2.915 ( 10.096 0.000 38.405) 39.710 3.366 ( 0.087 0.000 1.510) 1.512 3.531 ( 5.149 0.000 28.834) 29.290 3.938 ( 7.549 0.000 25.977) 27.052 4.008 ( 15.065 0.000 31.466) 34.886 4.387 ( -0.763 0.000 35.410) 35.419 4.398 ( -2.678 0.000 35.252) 35.353 4.527 ( 7.134 0.000 30.675) 31.493 4.641 ( 10.192 0.000 28.538) 30.304 5.017 ( -16.490 0.000 17.806) 24.268 5.434 ( -5.923 0.000 10.055) 11.670 5.521 ( 1.715 0.000 24.080) 24.141 5.701 ( -10.961 0.000 19.475) 22.347 5.853 ( -6.893 0.000 21.732) 22.799 5.998 ( -17.805 0.000 23.665) 29.615 6.023 ( -6.494 0.000 15.755) 17.040 6.093 ( 0.787 0.000 24.874) 24.886 6.177 ( 6.587 0.000 42.282) 42.792 6.384 ( -19.848 0.000 18.428) 27.084 6.494 ( 1.758 0.000 20.936) 21.010 6.911 ( 4.012 0.000 24.624) 24.948 6.990 ( -10.571 0.000 21.302) 23.781 7.099 ( 9.453 0.000 16.829) 19.303 7.227 ( 1.261 0.000 8.230) 8.326 7.333 ( -6.395 0.000 21.507) 22.438 7.415 ( -8.292 0.000 15.625) 17.689 7.513 ( 10.170 0.000 32.008) 33.585 7.729 ( 3.205 0.000 17.423) 17.715 7.860 ( 4.246 0.000 13.191) 13.858 7.865 ( -1.989 0.000 36.106) 36.161 8.140 ( 12.895 0.000 12.999) 18.310 8.375 ( 8.580 0.000 50.272) 50.999 8.375 ( 3.115 0.000 32.004) 32.155 8.675 ( -0.771 0.000 36.578) 36.586 8.895 ( 4.182 0.000 29.681) 29.975 8.981 ( 2.665 0.000 34.335) 34.438 9.306 ( 8.232 0.000 20.511) 22.101 9.419 ( 13.867 0.000 30.011) 33.060 9.433 ( -4.886 0.000 7.016) 8.549 9.567 ( -17.591 0.000 21.568) 27.832 9.817 ( -0.358 0.000 16.996) 17.000 9.921 ( 0.422 0.000 14.849) 14.855 10.185 ( -2.025 0.000 36.446) 36.502 10.329 ( 4.442 0.000 9.891) 10.843 10.363 ( -6.046 0.000 24.526) 25.260 10.580 ( 6.384 0.000 2.544) 6.872 10.661 ( 3.400 0.000 10.408) 10.949 10.715 ( -6.319 0.000 6.629) 9.158 10.866 ( -7.091 0.000 10.587) 12.743 10.942 ( 9.600 0.000 6.699) 11.706 11.364 ( -21.649 0.000 11.051) 24.306 11.497 ( 7.087 0.000 33.340) 34.085 11.541 ( -10.068 0.000 9.224) 13.654 11.689 ( 2.354 0.000 1.079) 2.589 11.977 ( 11.140 0.000 10.571) 15.358 12.090 ( 11.037 0.000 5.651) 12.400 12.126 ( -5.320 0.000 26.068) 26.605 12.249 ( -0.656 0.000 -4.035) 4.088 12.559 ( -1.786 0.000 13.087) 13.208 12.565 ( -0.672 0.000 24.889) 24.898 12.633 ( 7.681 0.000 22.481) 23.757 12.721 ( 1.431 0.000 12.331) 12.414 12.867 ( -6.759 0.000 6.549) 9.411 12.869 ( -1.902 0.000 6.634) 6.902 12.913 ( -4.865 0.000 -0.621) 4.904 13.033 ( -1.165 0.000 11.137) 11.198 13.057 ( 4.231 0.000 5.745) 7.135 13.218 ( -7.857 0.000 2.352) 8.201 13.338 ( -5.455 0.000 1.505) 5.659 13.421 ( -1.900 0.000 -6.373) 6.650 13.439 ( -10.410 0.000 -2.360) 10.674 13.490 ( -6.012 0.000 4.714) 7.640 13.719 ( -9.956 0.000 8.734) 13.244 13.906 ( -12.993 0.000 -8.151) 15.338 13.949 ( -2.430 0.000 2.212) 3.286 14.091 ( 12.319 0.000 -0.296) 12.322 14.565 ( 2.769 0.000 8.477) 8.918 14.588 ( 26.161 0.000 -7.527) 27.222 14.981 ( 0.396 0.000 7.077) 7.088 15.023 ( -15.033 0.000 -16.065) 22.001 15.101 ( 5.562 0.000 2.920) 6.282 15.372 ( 11.726 0.000 -25.846) 28.382 15.570 ( 1.874 0.000 -5.634) 5.937 15.637 ( -2.076 0.000 0.652) 2.176 15.791 ( -3.926 0.000 23.821) 24.142 15.863 ( 3.651 0.000 2.460) 4.403 15.962 ( -2.092 0.000 0.655) 2.192 16.391 ( 3.559 0.000 14.761) 15.184 16.539 ( 6.474 0.000 16.329) 17.565 17.514 ( -0.772 0.000 -16.605) 16.623 17.739 ( 1.551 0.000 -2.856) 3.250 18.005 ( 8.703 0.000 -26.979) 28.348 18.108 ( -4.107 0.000 4.931) 6.417 18.273 ( 6.053 0.000 15.777) 16.899 19.370 ( -20.198 0.000 -2.100) 20.307 19.973 ( -1.009 0.000 0.112) 1.015 20.176 ( -15.437 0.000 7.762) 17.278 20.291 ( -1.872 0.000 -4.948) 5.290 20.485 ( -8.683 0.000 -4.411) 9.739 20.739 ( 6.373 0.000 -4.408) 7.749 20.855 ( 14.695 0.000 -8.199) 16.828 21.178 ( -1.575 0.000 -11.639) 11.745 21.531 ( 1.588 0.000 -25.054) 25.105 21.732 ( -1.356 0.000 -9.133) 9.233 21.936 ( -4.294 0.000 -19.789) 20.249 22.185 ( 12.864 0.000 -17.955) 22.088 22.488 ( -6.282 0.000 -16.442) 17.601 22.538 ( -7.933 0.000 -15.360) 17.287 22.570 ( -7.591 0.000 -19.282) 20.722 23.237 ( 16.813 0.000 -10.667) 19.911 23.946 ( 15.545 0.000 -17.194) 23.180 23.973 ( 7.442 0.000 -16.810) 18.383 24.442 ( -2.189 0.000 -16.918) 17.059 24.727 ( -7.494 0.000 -20.264) 21.605 25.292 ( 4.670 0.000 8.210) 9.445 25.438 ( -13.370 0.000 -18.605) 22.910 25.733 ( -0.520 0.000 -0.851) 0.997 26.835 ( 0.126 0.000 -3.370) 3.372 26.902 ( -0.880 0.000 -3.594) 3.700 ======================= Grid point 65 (27/72) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 4.957 0.000 -4.165) 6.474 3.075 ( 4.639 0.000 12.307) 13.152 3.469 ( 12.722 0.000 23.313) 26.558 3.713 ( 11.561 0.000 29.559) 31.739 4.114 ( 11.200 0.000 25.433) 27.790 4.293 ( 7.291 0.000 29.771) 30.651 4.368 ( -1.010 0.000 34.661) 34.676 4.439 ( 10.587 0.000 30.720) 32.493 4.622 ( -3.566 0.000 43.301) 43.448 4.754 ( 0.273 0.000 13.383) 13.385 4.864 ( 13.191 0.000 19.799) 23.791 5.254 ( -14.087 0.000 16.967) 22.053 5.496 ( -5.490 0.000 19.083) 19.857 5.534 ( -24.112 0.000 26.801) 36.051 5.568 ( -3.006 0.000 21.240) 21.452 5.774 ( -7.807 0.000 23.815) 25.062 5.858 ( -9.864 0.000 21.274) 23.449 6.019 ( -18.174 0.000 19.373) 26.563 6.087 ( 2.067 0.000 18.603) 18.717 6.357 ( 13.173 0.000 33.836) 36.310 6.387 ( -11.468 0.000 21.573) 24.432 6.890 ( -6.700 0.000 12.556) 14.232 7.066 ( 10.035 0.000 25.889) 27.766 7.149 ( -2.924 0.000 12.528) 12.865 7.165 ( -0.098 0.000 16.123) 16.123 7.261 ( -5.102 0.000 13.108) 14.066 7.393 ( 11.260 0.000 19.440) 22.466 7.635 ( -7.663 0.000 9.266) 12.024 7.769 ( 11.844 0.000 41.099) 42.772 7.781 ( -6.183 0.000 32.812) 33.389 8.053 ( 11.421 0.000 34.735) 36.565 8.294 ( -1.468 0.000 47.103) 47.126 8.454 ( 11.865 0.000 19.924) 23.189 8.627 ( 14.459 0.000 48.436) 50.548 8.769 ( 5.637 0.000 27.103) 27.683 8.793 ( -15.866 0.000 27.682) 31.906 8.936 ( -6.361 0.000 41.589) 42.072 9.060 ( -16.263 0.000 38.701) 41.980 9.482 ( 9.415 0.000 -2.484) 9.737 9.548 ( 5.943 0.000 -0.453) 5.960 9.693 ( 12.528 0.000 15.205) 19.701 9.978 ( 6.235 0.000 24.120) 24.913 9.987 ( 14.997 0.000 23.871) 28.191 10.143 ( -3.453 0.000 42.102) 42.243 10.259 ( -5.692 0.000 31.301) 31.814 10.388 ( -4.899 0.000 13.064) 13.952 10.588 ( -2.736 0.000 -2.165) 3.489 10.611 ( 4.047 0.000 10.528) 11.279 10.722 ( 2.244 0.000 7.107) 7.453 10.736 ( -5.896 0.000 1.318) 6.041 10.964 ( -20.605 0.000 8.846) 22.423 11.039 ( -2.243 0.000 0.979) 2.447 11.430 ( -2.228 0.000 14.858) 15.024 11.595 ( 0.455 0.000 25.692) 25.696 11.833 ( 12.085 0.000 2.537) 12.348 11.905 ( -7.791 0.000 20.217) 21.667 12.139 ( 4.693 0.000 12.659) 13.501 12.212 ( 1.868 0.000 6.050) 6.332 12.383 ( 11.368 0.000 11.079) 15.874 12.441 ( -11.434 0.000 12.002) 16.576 12.491 ( -3.803 0.000 12.051) 12.636 12.714 ( -0.987 0.000 6.092) 6.172 12.738 ( -4.201 0.000 2.492) 4.885 12.758 ( 1.578 0.000 11.161) 11.272 12.851 ( -1.626 0.000 2.096) 2.653 12.880 ( 3.392 0.000 14.442) 14.835 13.011 ( -1.502 0.000 12.517) 12.607 13.109 ( -5.197 0.000 3.683) 6.370 13.179 ( 3.868 0.000 10.549) 11.235 13.210 ( -8.734 0.000 8.416) 12.129 13.308 ( -1.051 0.000 -0.128) 1.059 13.372 ( -1.238 0.000 3.867) 4.061 13.459 ( 2.781 0.000 1.783) 3.303 13.558 ( -6.871 0.000 4.957) 8.472 13.651 ( -10.758 0.000 -9.261) 14.196 13.817 ( -10.402 0.000 5.720) 11.871 14.334 ( 12.344 0.000 -0.471) 12.353 14.653 ( 4.960 0.000 7.482) 8.977 14.746 ( -13.157 0.000 -6.212) 14.550 14.867 ( -3.248 0.000 7.677) 8.336 15.111 ( 19.678 0.000 -14.545) 24.470 15.253 ( 10.712 0.000 0.224) 10.714 15.509 ( 0.928 0.000 -21.833) 21.853 15.589 ( -2.244 0.000 -5.500) 5.940 15.651 ( 3.345 0.000 7.135) 7.880 15.761 ( 2.490 0.000 17.030) 17.211 15.875 ( -6.012 0.000 0.753) 6.059 15.906 ( 0.587 0.000 -0.730) 0.937 16.475 ( 5.229 0.000 17.362) 18.133 16.618 ( 0.668 0.000 13.700) 13.716 17.564 ( 6.383 0.000 -10.283) 12.103 17.774 ( 1.113 0.000 -6.309) 6.407 18.034 ( -2.481 0.000 2.538) 3.549 18.134 ( 3.363 0.000 -21.102) 21.368 18.401 ( 7.529 0.000 7.838) 10.868 18.899 ( -25.858 0.000 6.092) 26.566 19.964 ( 0.311 0.000 0.938) 0.988 20.016 ( -3.637 0.000 4.717) 5.956 20.248 ( -2.340 0.000 -4.015) 4.647 20.325 ( -7.551 0.000 -4.362) 8.720 20.904 ( 10.163 0.000 -4.975) 11.315 21.120 ( 14.490 0.000 -12.075) 18.862 21.140 ( -2.686 0.000 -9.105) 9.493 21.558 ( -0.025 0.000 -23.449) 23.449 21.708 ( -1.328 0.000 -11.189) 11.267 21.770 ( -11.947 0.000 -16.080) 20.032 22.303 ( -1.411 0.000 -18.897) 18.949 22.372 ( -6.198 0.000 -16.821) 17.927 22.442 ( 0.112 0.000 -16.299) 16.299 22.470 ( -2.334 0.000 -18.888) 19.031 23.622 ( 22.809 0.000 -14.573) 27.068 24.139 ( 9.985 0.000 -17.067) 19.773 24.184 ( 2.490 0.000 -14.099) 14.318 24.421 ( 2.074 0.000 -16.211) 16.343 24.583 ( -3.625 0.000 -23.823) 24.097 25.146 ( -17.865 0.000 -18.859) 25.977 25.401 ( 6.958 0.000 6.088) 9.245 25.670 ( -5.868 0.000 0.649) 5.904 26.842 ( 0.693 0.000 -2.657) 2.746 26.882 ( -1.241 0.000 -2.904) 3.158 ======================= Grid point 66 (28/72) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -0.087 0.000 -0.693) 0.698 3.107 ( 0.087 0.000 -0.693) 0.698 3.733 ( -10.967 0.000 26.711) 28.875 3.733 ( 10.967 0.000 26.711) 28.875 4.330 ( -11.891 0.000 25.862) 28.465 4.330 ( 11.891 0.000 25.862) 28.465 4.342 ( -1.932 0.000 35.491) 35.544 4.342 ( 1.932 0.000 35.491) 35.544 4.908 ( -22.491 0.000 25.338) 33.880 4.908 ( 22.491 0.000 25.338) 33.880 4.934 ( -12.419 0.000 20.986) 24.385 4.934 ( 12.419 0.000 20.986) 24.385 5.314 ( -8.533 0.000 23.136) 24.660 5.314 ( 8.533 0.000 23.136) 24.660 5.625 ( -7.932 0.000 22.386) 23.750 5.625 ( 7.932 0.000 22.386) 23.750 5.795 ( -4.483 0.000 21.840) 22.296 5.795 ( 4.483 0.000 21.840) 22.296 6.189 ( -8.711 0.000 19.921) 21.742 6.189 ( 8.711 0.000 19.921) 21.742 6.639 ( -16.529 0.000 17.780) 24.276 6.639 ( 16.529 0.000 17.780) 24.276 7.137 ( -1.657 0.000 7.316) 7.501 7.137 ( 1.657 0.000 7.316) 7.501 7.252 ( -1.383 0.000 38.172) 38.197 7.252 ( 1.383 0.000 38.172) 38.197 7.515 ( -3.060 0.000 0.030) 3.060 7.515 ( 3.060 0.000 0.030) 3.060 7.796 ( -7.921 0.000 40.204) 40.977 7.796 ( 7.921 0.000 40.204) 40.977 8.218 ( -6.339 0.000 48.331) 48.745 8.218 ( 6.339 0.000 48.331) 48.745 8.606 ( -2.179 0.000 30.019) 30.098 8.606 ( 2.179 0.000 30.019) 30.098 8.780 ( -0.566 0.000 40.682) 40.686 8.780 ( 0.566 0.000 40.682) 40.686 8.891 ( -2.363 0.000 32.430) 32.516 8.891 ( 2.363 0.000 32.430) 32.516 9.599 ( -2.230 0.000 -9.257) 9.522 9.599 ( 2.230 0.000 -9.257) 9.522 9.947 ( -15.621 0.000 22.624) 27.493 9.947 ( 15.621 0.000 22.624) 27.493 10.128 ( -7.174 0.000 36.809) 37.501 10.128 ( 7.174 0.000 36.809) 37.501 10.249 ( -8.199 0.000 23.229) 24.633 10.249 ( 8.199 0.000 23.229) 24.633 10.608 ( -7.940 0.000 5.068) 9.420 10.608 ( 7.940 0.000 5.068) 9.420 10.733 ( -1.545 0.000 0.523) 1.631 10.733 ( 1.545 0.000 0.523) 1.631 10.855 ( -15.529 0.000 2.996) 15.816 10.855 ( 15.529 0.000 2.996) 15.816 11.467 ( -6.928 0.000 18.825) 20.059 11.467 ( 6.928 0.000 18.825) 20.059 12.005 ( -15.617 0.000 7.633) 17.382 12.005 ( 15.617 0.000 7.633) 17.382 12.112 ( -11.039 0.000 23.623) 26.075 12.112 ( 11.039 0.000 23.623) 26.075 12.410 ( -4.850 0.000 0.792) 4.914 12.410 ( 4.850 0.000 0.792) 4.914 12.617 ( -12.150 0.000 12.194) 17.214 12.617 ( 12.150 0.000 12.194) 17.214 12.712 ( -1.576 0.000 1.384) 2.097 12.712 ( 1.576 0.000 1.384) 2.097 12.875 ( -3.692 0.000 11.306) 11.893 12.875 ( 3.692 0.000 11.306) 11.893 13.011 ( -4.954 0.000 5.486) 7.391 13.011 ( 4.954 0.000 5.486) 7.391 13.163 ( -1.729 0.000 8.980) 9.145 13.163 ( 1.729 0.000 8.980) 9.145 13.358 ( -1.207 0.000 10.656) 10.724 13.358 ( 1.207 0.000 10.656) 10.724 13.514 ( -3.105 0.000 -3.178) 4.443 13.514 ( 3.105 0.000 -3.178) 4.443 13.611 ( -10.766 0.000 1.241) 10.837 13.611 ( 10.766 0.000 1.241) 10.837 14.535 ( -10.088 0.000 0.897) 10.128 14.535 ( 10.088 0.000 0.897) 10.128 14.756 ( -6.100 0.000 5.464) 8.190 14.756 ( 6.100 0.000 5.464) 8.190 15.415 ( -10.854 0.000 -16.738) 19.949 15.415 ( 10.854 0.000 -16.738) 19.949 15.459 ( -10.806 0.000 -2.196) 11.027 15.459 ( 10.806 0.000 -2.196) 11.027 15.736 ( -5.325 0.000 8.365) 9.916 15.736 ( 5.325 0.000 8.365) 9.916 15.874 ( -3.898 0.000 0.666) 3.954 15.874 ( 3.898 0.000 0.666) 3.954 16.571 ( -4.724 0.000 16.069) 16.749 16.571 ( 4.724 0.000 16.069) 16.749 17.710 ( -7.699 0.000 -7.072) 10.455 17.710 ( 7.699 0.000 -7.072) 10.455 18.088 ( -6.727 0.000 -7.808) 10.306 18.088 ( 6.727 0.000 -7.808) 10.306 18.558 ( -11.220 0.000 4.715) 12.170 18.558 ( 11.220 0.000 4.715) 12.170 19.981 ( -1.243 0.000 2.199) 2.526 19.981 ( 1.243 0.000 2.199) 2.526 20.235 ( -1.808 0.000 -3.795) 4.203 20.235 ( 1.808 0.000 -3.795) 4.203 21.063 ( -6.340 0.000 -5.888) 8.653 21.063 ( 6.340 0.000 -5.888) 8.653 21.397 ( -15.269 0.000 -18.694) 24.138 21.397 ( 15.269 0.000 -18.694) 24.138 21.682 ( -1.129 0.000 -12.985) 13.034 21.682 ( 1.129 0.000 -12.985) 13.034 22.284 ( -2.043 0.000 -17.279) 17.399 22.284 ( 2.043 0.000 -17.279) 17.399 22.459 ( -0.315 0.000 -18.871) 18.874 22.459 ( 0.315 0.000 -18.871) 18.874 24.004 ( -17.439 0.000 -14.997) 23.001 24.004 ( 17.439 0.000 -14.997) 23.001 24.321 ( -9.535 0.000 -17.178) 19.647 24.321 ( 9.535 0.000 -17.178) 19.647 24.801 ( -19.015 0.000 -21.152) 28.443 24.801 ( 19.015 0.000 -21.152) 28.443 25.539 ( -7.785 0.000 3.561) 8.560 25.539 ( 7.785 0.000 3.561) 8.560 26.859 ( -1.118 0.000 -2.473) 2.713 26.859 ( 1.118 0.000 -2.473) 2.713 ======================= Grid point 70 (29/72) ======================= q-point: ( 0.00 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 0.000 8.302 15.166) 17.290 2.921 ( 0.000 6.850 34.671) 35.341 3.236 ( 0.000 -6.767 12.175) 13.929 3.400 ( 0.000 -13.997 32.029) 34.954 3.695 ( 0.000 -0.065 26.269) 26.269 3.798 ( 0.000 -5.493 28.817) 29.336 4.406 ( 0.000 0.295 35.591) 35.593 4.418 ( 0.000 -0.646 34.768) 34.774 4.752 ( 0.000 18.101 27.245) 32.710 4.787 ( 0.000 18.925 24.413) 30.889 5.170 ( 0.000 -9.503 23.611) 25.452 5.201 ( 0.000 -15.728 21.670) 26.777 5.537 ( 0.000 -5.948 9.736) 11.409 5.607 ( 0.000 -1.609 11.439) 11.552 5.944 ( 0.000 4.218 21.105) 21.522 6.059 ( 0.000 -3.812 16.386) 16.824 6.141 ( 0.000 1.052 17.189) 17.221 6.164 ( 0.000 -0.733 30.175) 30.184 6.279 ( 0.000 12.868 47.554) 49.265 6.597 ( 0.000 -2.189 29.716) 29.797 6.672 ( 0.000 4.305 23.362) 23.756 6.820 ( 0.000 -6.107 39.111) 39.585 6.979 ( 0.000 -0.250 15.363) 15.365 7.115 ( 0.000 9.356 21.377) 23.335 7.149 ( 0.000 3.747 23.782) 24.075 7.347 ( 0.000 -13.812 9.615) 16.829 7.395 ( 0.000 3.282 1.620) 3.660 7.571 ( 0.000 -0.633 21.624) 21.633 7.596 ( 0.000 -4.594 17.715) 18.301 7.623 ( 0.000 -7.506 13.320) 15.289 7.997 ( 0.000 9.032 24.215) 25.845 8.091 ( 0.000 1.425 10.497) 10.593 8.314 ( 0.000 -0.177 29.861) 29.862 8.331 ( 0.000 -2.084 37.542) 37.600 8.732 ( 0.000 -0.844 50.837) 50.844 8.776 ( 0.000 -5.812 40.395) 40.811 8.892 ( 0.000 8.465 32.722) 33.799 9.079 ( 0.000 -8.394 24.824) 26.204 9.432 ( 0.000 3.955 13.158) 13.740 9.450 ( 0.000 -0.024 6.510) 6.510 9.711 ( 0.000 8.755 19.718) 21.574 10.006 ( 0.000 -16.157 22.008) 27.302 10.011 ( 0.000 6.764 19.704) 20.833 10.149 ( 0.000 -4.898 25.398) 25.866 10.267 ( 0.000 14.840 18.506) 23.721 10.464 ( 0.000 -1.316 14.183) 14.244 10.519 ( 0.000 1.145 12.295) 12.348 10.624 ( 0.000 1.711 13.649) 13.756 10.744 ( 0.000 -10.023 16.335) 19.165 10.769 ( 0.000 -2.534 8.289) 8.667 11.029 ( 0.000 16.703 2.229) 16.851 11.388 ( 0.000 -9.567 17.071) 19.569 11.572 ( 0.000 -0.002 21.142) 21.142 11.698 ( 0.000 -6.434 13.007) 14.511 11.773 ( 0.000 4.568 5.304) 7.000 11.834 ( 0.000 6.782 -0.191) 6.785 11.857 ( 0.000 -1.875 17.491) 17.591 11.992 ( 0.000 -8.720 14.253) 16.709 12.300 ( 0.000 0.112 7.816) 7.817 12.366 ( 0.000 -6.487 14.107) 15.527 12.661 ( 0.000 4.774 29.032) 29.422 12.673 ( 0.000 2.229 18.866) 18.997 12.723 ( 0.000 2.545 11.351) 11.633 12.817 ( 0.000 -3.633 15.309) 15.734 12.983 ( 0.000 5.935 6.037) 8.466 13.029 ( 0.000 0.973 -0.697) 1.197 13.036 ( 0.000 -0.544 1.363) 1.467 13.064 ( 0.000 0.158 8.834) 8.835 13.373 ( 0.000 -0.078 -0.524) 0.530 13.383 ( 0.000 -1.449 0.535) 1.545 13.440 ( 0.000 3.253 -1.400) 3.542 13.516 ( 0.000 -2.468 -4.386) 5.032 13.683 ( 0.000 6.364 -4.544) 7.820 13.840 ( 0.000 -7.956 -6.451) 10.243 13.878 ( 0.000 1.838 16.163) 16.267 13.941 ( 0.000 -3.443 8.411) 9.089 13.991 ( 0.000 2.794 -6.945) 7.486 14.137 ( 0.000 -8.718 -10.146) 13.377 14.690 ( 0.000 9.131 10.167) 13.665 14.880 ( 0.000 -7.757 9.241) 12.065 15.133 ( 0.000 6.380 -3.172) 7.124 15.220 ( 0.000 -1.405 -24.373) 24.413 15.248 ( 0.000 5.591 -21.363) 22.083 15.431 ( 0.000 -9.198 -4.745) 10.350 15.748 ( 0.000 4.272 -3.036) 5.241 15.811 ( 0.000 -0.933 3.248) 3.380 15.918 ( 0.000 5.707 15.255) 16.288 15.991 ( 0.000 0.847 5.986) 6.046 16.356 ( 0.000 0.092 15.668) 15.668 16.398 ( 0.000 -4.282 21.284) 21.710 17.618 ( 0.000 8.639 -14.496) 16.875 17.800 ( 0.000 6.416 -4.813) 8.021 17.834 ( 0.000 -6.935 -25.765) 26.682 18.007 ( 0.000 -12.134 1.406) 12.216 18.400 ( 0.000 17.356 21.283) 27.463 18.941 ( 0.000 -32.733 13.152) 35.277 20.168 ( 0.000 7.503 0.119) 7.504 20.289 ( 0.000 -2.946 -3.735) 4.757 20.540 ( 0.000 1.351 -4.794) 4.981 20.547 ( 0.000 -0.519 -4.507) 4.537 20.618 ( 0.000 1.174 -6.899) 6.998 20.670 ( 0.000 -2.809 -5.840) 6.480 21.503 ( 0.000 11.740 -20.099) 23.277 21.540 ( 0.000 1.614 -23.808) 23.863 21.809 ( 0.000 13.536 -13.766) 19.306 22.014 ( 0.000 -0.872 -17.019) 17.042 22.068 ( 0.000 8.541 -15.554) 17.745 22.409 ( 0.000 -16.129 -16.560) 23.117 22.585 ( 0.000 -0.618 -17.149) 17.161 22.621 ( 0.000 -3.289 -20.009) 20.278 23.139 ( 0.000 6.106 -9.087) 10.947 23.371 ( 0.000 -16.483 -13.001) 20.994 24.318 ( 0.000 17.359 -17.938) 24.962 24.478 ( 0.000 0.176 -18.731) 18.732 24.795 ( 0.000 1.684 -14.612) 14.708 25.008 ( 0.000 -15.580 -2.691) 15.811 25.693 ( 0.000 4.393 -11.009) 11.853 25.726 ( 0.000 0.729 0.287) 0.784 26.847 ( 0.000 1.292 -3.644) 3.867 26.886 ( 0.000 -1.912 -3.766) 4.224 ======================= Grid point 71 (30/72) ======================= q-point: ( 0.17 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 7.155 4.934 15.486) 17.758 3.017 ( 6.914 1.328 15.366) 16.902 3.295 ( 8.242 0.946 20.816) 22.409 3.496 ( 9.226 -8.931 30.085) 32.711 3.784 ( 9.877 -0.490 26.718) 28.490 3.923 ( 13.323 -8.275 29.161) 33.111 4.398 ( -0.607 1.017 34.918) 34.938 4.428 ( 0.852 -1.600 35.146) 35.193 4.705 ( -1.882 18.506 26.371) 32.271 4.826 ( -0.440 12.155 26.517) 29.173 5.025 ( -11.954 -6.077 22.011) 25.774 5.192 ( -1.838 -17.990 23.439) 29.604 5.513 ( -1.197 1.709 10.356) 10.565 5.636 ( 0.814 -2.861 9.928) 10.364 5.863 ( -7.352 3.628 22.765) 24.196 5.942 ( -10.264 -3.370 19.696) 22.464 6.074 ( -8.805 4.954 22.176) 24.369 6.200 ( -2.534 -0.920 37.943) 38.038 6.337 ( -1.612 2.298 23.139) 23.309 6.364 ( -11.875 7.580 24.687) 28.424 6.464 ( -9.636 2.555 28.651) 30.336 6.791 ( -1.492 -20.597 38.709) 43.873 7.078 ( 8.168 9.475 19.968) 23.563 7.144 ( -4.881 8.977 14.926) 18.089 7.209 ( 1.799 3.974 18.243) 18.757 7.310 ( 1.847 2.321 3.290) 4.429 7.364 ( -2.822 -7.089 13.729) 15.706 7.577 ( 0.046 -10.418 13.092) 16.732 7.709 ( 6.322 2.511 27.116) 27.956 7.780 ( 12.099 -2.826 25.534) 28.396 7.879 ( -6.790 4.946 25.332) 26.689 8.035 ( 1.487 -7.371 23.678) 24.844 8.430 ( 8.952 3.656 32.517) 33.925 8.451 ( 10.446 2.607 32.585) 34.318 8.716 ( 1.690 3.624 43.230) 43.414 8.816 ( -0.075 -5.369 48.321) 48.618 8.973 ( 5.997 -0.047 26.387) 27.060 9.067 ( -2.881 -8.430 17.308) 19.466 9.464 ( 3.193 2.632 5.451) 6.843 9.500 ( 5.923 0.944 10.306) 11.924 9.784 ( 7.101 7.052 27.750) 29.499 9.933 ( -8.998 6.403 35.013) 36.714 9.999 ( -3.333 7.677 13.415) 15.811 10.078 ( -4.666 -2.742 33.764) 34.195 10.164 ( 1.151 -3.775 8.864) 9.702 10.390 ( -8.804 -10.235 18.930) 23.251 10.569 ( -0.458 0.683 11.237) 11.267 10.614 ( 3.130 -2.718 12.981) 13.627 10.823 ( 6.269 2.744 8.602) 10.992 10.894 ( 0.968 5.802 1.816) 6.156 10.939 ( -0.481 3.572 7.584) 8.397 11.207 ( -17.218 -11.958 10.481) 23.438 11.536 ( -0.123 3.403 20.957) 21.231 11.572 ( -7.628 1.143 18.328) 19.885 11.801 ( 0.105 6.461 5.932) 8.772 11.919 ( 4.162 -6.533 10.334) 12.915 11.976 ( 8.515 -0.574 9.281) 12.608 12.070 ( 7.598 -6.898 14.140) 17.472 12.292 ( 1.034 4.716 5.647) 7.429 12.425 ( 3.147 -7.140 12.759) 14.956 12.675 ( 0.161 5.539 21.189) 21.901 12.719 ( 1.698 -0.319 14.018) 14.124 12.720 ( 3.276 3.741 18.526) 19.182 12.812 ( -0.748 -3.556 13.196) 13.688 12.913 ( -8.951 2.705 2.216) 9.610 12.945 ( -5.479 0.651 2.991) 6.276 13.067 ( -0.109 1.998 8.694) 8.921 13.080 ( 3.809 1.210 7.267) 8.294 13.248 ( -7.568 3.716 0.267) 8.436 13.358 ( -5.865 -1.488 -1.424) 6.216 13.379 ( -6.148 -1.118 0.975) 6.324 13.424 ( -2.246 -1.209 -2.493) 3.567 13.515 ( -11.476 3.385 0.979) 12.005 13.640 ( -13.605 -6.524 1.900) 15.207 13.905 ( -8.102 0.863 -0.086) 8.149 13.942 ( -5.273 -1.471 3.516) 6.506 14.121 ( 14.911 4.182 -1.131) 15.528 14.299 ( 13.618 -11.701 -2.662) 18.151 14.798 ( 9.458 7.678 7.438) 14.273 14.922 ( 1.315 -4.191 8.507) 9.574 15.101 ( -6.321 5.172 -19.772) 21.392 15.156 ( 0.578 2.293 -6.246) 6.679 15.333 ( 8.350 -0.034 -16.846) 18.802 15.452 ( 3.778 -7.894 -3.357) 9.373 15.747 ( -0.034 5.661 -2.912) 6.366 15.825 ( -0.734 -0.480 7.398) 7.450 15.872 ( -2.270 3.503 9.183) 10.088 15.955 ( -4.457 -1.944 6.356) 8.003 16.415 ( 5.783 2.429 15.433) 16.658 16.490 ( 7.408 -3.781 15.849) 17.899 17.605 ( -0.648 8.987 -10.845) 14.099 17.788 ( -0.362 0.782 -9.465) 9.504 17.919 ( 6.171 -5.320 -14.757) 16.857 17.998 ( 0.338 -8.103 -3.649) 8.893 18.438 ( 3.641 14.920 16.421) 22.484 18.894 ( -5.429 -26.766 11.900) 29.791 20.132 ( -3.357 6.779 0.460) 7.579 20.246 ( -4.878 -2.206 -2.806) 6.045 20.355 ( -10.620 6.666 -4.778) 13.418 20.443 ( -8.537 -2.838 -5.387) 10.486 20.760 ( 7.558 1.472 -5.197) 9.290 20.804 ( 11.435 -2.854 -6.504) 13.461 21.399 ( -7.504 14.334 -18.048) 24.239 21.544 ( -0.601 -0.609 -23.046) 23.062 21.739 ( -3.463 6.233 -12.459) 14.355 22.039 ( -8.694 1.061 -15.618) 17.906 22.058 ( 1.726 -6.775 -18.725) 19.987 22.255 ( -6.753 -13.131 -13.652) 20.109 22.584 ( 1.213 6.570 -18.472) 19.643 22.673 ( -0.569 -0.013 -18.978) 18.986 23.310 ( 17.580 7.061 -11.807) 22.323 23.557 ( 17.219 -15.667 -15.098) 27.747 24.375 ( 5.836 14.661 -18.434) 24.266 24.470 ( -1.114 1.691 -18.708) 18.817 24.726 ( -7.119 2.925 -14.786) 16.668 24.990 ( -2.359 -17.461 -5.988) 18.610 25.624 ( -5.238 7.667 -5.118) 10.602 25.721 ( -2.053 -1.750 -2.314) 3.554 26.846 ( -0.056 1.142 -3.263) 3.457 26.881 ( -0.590 -1.681 -3.431) 3.866 ======================= Grid point 72 (31/72) ======================= q-point: ( 0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 5.742 1.076 3.975) 7.066 3.098 ( 2.264 -1.644 -0.262) 2.810 3.529 ( 15.195 6.913 29.393) 33.803 3.704 ( 11.358 -4.862 30.972) 33.345 4.040 ( 16.342 1.642 23.774) 28.896 4.219 ( 14.229 -8.629 25.532) 30.476 4.382 ( -1.406 1.322 34.083) 34.137 4.458 ( 1.664 -8.317 30.027) 31.202 4.628 ( -6.976 10.508 25.833) 28.747 4.775 ( 0.844 10.273 34.934) 36.423 4.881 ( -1.602 -4.974 21.742) 22.361 5.153 ( -2.217 -14.365 24.694) 28.654 5.456 ( -9.772 4.274 16.269) 19.454 5.536 ( -16.829 -1.188 18.055) 24.710 5.683 ( -10.237 4.505 22.848) 25.438 5.729 ( -9.973 -2.112 24.346) 26.394 5.849 ( -6.975 3.777 22.821) 24.160 5.974 ( -10.978 -3.549 17.881) 21.280 6.230 ( 1.878 9.143 19.923) 22.001 6.410 ( 1.443 -3.707 20.982) 21.356 6.529 ( 9.366 11.906 35.374) 38.481 6.780 ( -1.125 -7.173 26.291) 27.276 6.952 ( -7.863 -0.914 7.165) 10.677 7.123 ( -7.264 -6.977 15.579) 18.552 7.227 ( -4.253 5.426 17.490) 18.800 7.311 ( 6.221 -1.073 18.630) 19.670 7.410 ( 1.558 3.591 14.421) 14.942 7.547 ( -3.952 -6.995 1.945) 8.267 7.738 ( 0.028 0.917 38.490) 38.501 7.781 ( 5.563 -1.390 40.085) 40.493 8.077 ( 14.489 4.489 36.321) 39.361 8.234 ( 12.081 -7.275 36.076) 38.734 8.539 ( 5.661 7.789 36.091) 37.354 8.667 ( 7.998 -0.981 34.514) 35.442 8.745 ( -4.292 0.433 36.519) 36.773 8.795 ( 4.155 -1.805 32.314) 32.630 8.914 ( -12.438 1.300 33.046) 35.333 8.998 ( -4.593 -3.976 33.037) 33.591 9.549 ( 5.518 4.358 0.191) 7.034 9.629 ( 5.835 -0.997 2.154) 6.299 9.795 ( -1.503 13.464 10.443) 17.105 9.899 ( 3.847 -0.384 30.622) 30.865 10.006 ( 2.983 -6.758 39.920) 40.598 10.115 ( 3.950 -1.462 25.212) 25.562 10.173 ( -0.223 -4.238 7.222) 8.377 10.262 ( -0.793 -6.199 28.812) 29.482 10.569 ( 2.569 -0.629 10.539) 10.866 10.615 ( -6.498 -3.263 4.827) 8.728 10.758 ( -5.616 6.822 10.716) 13.889 10.873 ( -1.276 6.725 4.892) 8.414 10.911 ( -10.355 -2.977 4.923) 11.846 11.027 ( -0.917 -3.429 1.495) 3.851 11.451 ( -4.724 2.779 17.684) 18.514 11.542 ( -4.439 -4.524 23.341) 24.187 11.866 ( 9.127 1.715 7.209) 11.757 11.876 ( 0.561 -0.105 9.164) 9.181 12.154 ( 7.469 1.685 17.207) 18.834 12.225 ( 6.028 -2.914 15.708) 17.076 12.335 ( 2.129 2.667 1.725) 3.824 12.431 ( -1.361 -4.462 8.787) 9.949 12.628 ( -5.087 8.701 14.493) 17.654 12.714 ( -1.680 -0.484 6.827) 7.047 12.758 ( -3.069 1.318 2.658) 4.268 12.794 ( -0.824 1.210 9.353) 9.467 12.803 ( -1.710 0.286 6.364) 6.596 12.898 ( 0.374 -0.932 17.723) 17.752 13.011 ( -4.230 0.586 7.156) 8.334 13.073 ( -5.222 -4.369 5.544) 8.780 13.188 ( -1.993 3.094 7.358) 8.227 13.243 ( -6.158 0.700 6.432) 8.932 13.274 ( -0.033 -0.173 3.325) 3.329 13.371 ( -5.047 -3.943 10.272) 12.105 13.439 ( 3.812 0.576 -3.893) 5.479 13.488 ( -0.234 -3.115 -4.867) 5.783 13.713 ( -10.376 3.787 -0.515) 11.058 13.788 ( -10.392 -2.661 3.903) 11.415 14.373 ( 11.871 3.924 0.938) 12.538 14.517 ( 9.449 -8.959 1.565) 13.115 14.757 ( -10.929 2.634 2.041) 11.425 14.834 ( -8.407 -3.462 5.265) 10.506 15.219 ( 15.056 5.904 -13.127) 20.829 15.275 ( 10.521 0.764 -3.382) 11.078 15.474 ( 5.261 0.028 -11.027) 12.218 15.545 ( 3.087 -4.143 -9.483) 10.800 15.742 ( -0.811 5.120 -1.393) 5.367 15.777 ( -1.038 1.524 16.812) 16.913 15.839 ( -5.269 -1.620 4.989) 7.435 15.871 ( -1.722 -3.484 2.942) 4.874 16.521 ( 5.019 3.547 14.118) 15.398 16.592 ( 2.682 -2.420 12.308) 12.828 17.615 ( 1.971 5.241 -4.875) 7.425 17.757 ( -3.580 -4.760 -5.453) 8.076 17.999 ( 5.020 0.778 -4.512) 6.794 18.078 ( 5.486 -4.330 -17.266) 18.627 18.508 ( 3.490 9.024 8.878) 13.131 18.742 ( -10.214 -11.245 9.321) 17.823 20.074 ( -2.262 5.591 0.797) 6.083 20.128 ( -5.841 7.506 -2.377) 9.803 20.221 ( -4.234 -1.793 -3.053) 5.520 20.291 ( -7.207 -3.013 -4.945) 9.245 20.910 ( 8.048 1.403 -6.023) 10.149 20.984 ( 6.990 -5.240 -7.530) 11.533 21.315 ( -0.658 9.540 -14.611) 17.462 21.504 ( -4.466 -6.009 -22.141) 23.372 21.705 ( -0.452 3.125 -12.614) 13.003 21.817 ( -10.048 -2.060 -10.420) 14.621 22.079 ( 0.494 -5.234 -18.974) 19.689 22.178 ( -4.302 -9.803 -15.842) 19.120 22.595 ( 0.307 6.944 -18.939) 20.175 22.634 ( -2.328 3.791 -18.505) 19.032 23.690 ( 21.193 6.263 -14.962) 26.687 23.883 ( 15.541 -11.126 -15.440) 24.571 24.421 ( -3.865 6.246 -18.626) 20.022 24.521 ( 7.131 0.104 -21.719) 22.860 24.560 ( -7.991 10.012 -14.539) 19.377 24.903 ( -7.500 -16.048 -13.720) 22.405 25.549 ( -1.913 7.387 0.384) 7.640 25.652 ( -4.964 -2.229 0.026) 5.441 26.847 ( 0.210 0.575 -2.610) 2.681 26.867 ( -0.779 -1.075 -2.753) 3.057 ======================= Grid point 73 (32/72) ======================= q-point: (-0.50 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -1.036 0.184 -2.355) 2.580 3.110 ( 1.036 0.184 -2.355) 2.580 3.768 ( -7.139 2.160 31.424) 32.297 3.768 ( 7.139 2.160 31.424) 32.297 4.296 ( -10.473 -2.497 16.868) 20.011 4.296 ( 10.473 -2.497 16.868) 20.011 4.351 ( -1.303 0.319 34.738) 34.764 4.351 ( 1.303 0.319 34.738) 34.764 4.744 ( -7.357 -4.630 25.365) 26.814 4.744 ( 7.357 -4.630 25.365) 26.814 5.072 ( -17.832 5.446 28.357) 33.938 5.072 ( 17.832 5.446 28.357) 33.938 5.212 ( -4.779 -6.548 28.078) 29.224 5.212 ( 4.779 -6.548 28.078) 29.224 5.617 ( -1.274 -1.801 23.601) 23.704 5.617 ( 1.274 -1.801 23.601) 23.704 5.859 ( -4.411 4.073 13.846) 15.092 5.859 ( 4.411 4.073 13.846) 15.092 6.333 ( -7.787 9.347 22.446) 25.531 6.333 ( 7.787 9.347 22.446) 25.531 6.698 ( -8.420 4.389 18.756) 21.022 6.698 ( 8.420 4.389 18.756) 21.022 6.965 ( -8.307 -11.845 15.627) 21.296 6.965 ( 8.307 -11.845 15.627) 21.296 7.247 ( -6.282 0.630 24.376) 25.180 7.247 ( 6.282 0.630 24.376) 25.180 7.477 ( -4.874 -3.125 3.089) 6.562 7.477 ( 4.874 -3.125 3.089) 6.562 7.827 ( -4.346 1.323 42.548) 42.790 7.827 ( 4.346 1.323 42.548) 42.790 8.286 ( -6.391 4.253 45.083) 45.732 8.286 ( 6.391 4.253 45.083) 45.732 8.632 ( -2.100 1.571 33.172) 33.275 8.632 ( 2.100 1.571 33.172) 33.275 8.780 ( -1.638 1.514 32.303) 32.380 8.780 ( 1.638 1.514 32.303) 32.380 8.867 ( -4.701 -3.271 39.842) 40.251 8.867 ( 4.701 -3.271 39.842) 40.251 9.641 ( -3.671 3.446 -7.199) 8.785 9.641 ( 3.671 3.446 -7.199) 8.785 9.868 ( -6.842 -6.379 15.951) 18.492 9.868 ( 6.842 -6.379 15.951) 18.492 10.082 ( -4.570 0.671 30.402) 30.751 10.082 ( 4.570 0.671 30.402) 30.751 10.252 ( -2.301 -3.450 28.094) 28.399 10.252 ( 2.301 -3.450 28.094) 28.399 10.576 ( -7.633 3.084 4.392) 9.331 10.576 ( 7.633 3.084 4.392) 9.331 10.747 ( -8.570 -4.066 5.965) 11.205 10.747 ( 8.570 -4.066 5.965) 11.205 10.925 ( -5.994 5.511 4.926) 9.517 10.925 ( 5.994 5.511 4.926) 9.517 11.421 ( -3.562 -2.794 19.842) 20.352 11.421 ( 3.562 -2.794 19.842) 20.352 12.013 ( -3.933 0.492 5.987) 7.180 12.013 ( 3.933 0.492 5.987) 7.180 12.192 ( -2.422 5.357 18.698) 19.600 12.192 ( 2.422 5.357 18.698) 19.600 12.387 ( -4.567 -2.491 6.934) 8.669 12.387 ( 4.567 -2.491 6.934) 8.669 12.638 ( -6.832 1.818 10.793) 12.902 12.638 ( 6.832 1.818 10.793) 12.902 12.737 ( -2.144 2.299 2.205) 3.840 12.737 ( 2.144 2.299 2.205) 3.840 12.827 ( -3.560 -4.206 8.406) 10.051 12.827 ( 3.560 -4.206 8.406) 10.051 13.021 ( -3.140 1.041 4.947) 5.951 13.021 ( 3.140 1.041 4.947) 5.951 13.166 ( -1.269 0.159 10.527) 10.604 13.166 ( 1.269 0.159 10.527) 10.604 13.310 ( -2.470 -2.723 8.040) 8.841 13.310 ( 2.470 -2.723 8.040) 8.841 13.549 ( -6.914 2.329 0.875) 7.348 13.549 ( 6.914 2.329 0.875) 7.348 13.595 ( -9.444 -1.400 -0.771) 9.578 13.595 ( 9.444 -1.400 -0.771) 9.578 14.560 ( -8.891 2.312 0.785) 9.220 14.560 ( 8.891 2.312 0.785) 9.220 14.678 ( -7.436 -5.152 5.361) 10.516 14.678 ( 7.436 -5.152 5.361) 10.516 15.434 ( -1.936 1.000 -7.535) 7.844 15.434 ( 1.936 1.000 -7.535) 7.844 15.493 ( -3.697 1.811 -11.374) 12.096 15.493 ( 3.697 1.811 -11.374) 12.096 15.753 ( -3.012 1.590 8.691) 9.334 15.753 ( 3.012 1.590 8.691) 9.334 15.824 ( -3.901 -3.340 3.629) 6.288 15.824 ( 3.901 -3.340 3.629) 6.288 16.590 ( -2.360 1.009 13.426) 13.669 16.590 ( 2.360 1.009 13.426) 13.669 17.676 ( -4.424 -1.806 -3.227) 5.766 17.676 ( 4.424 -1.806 -3.227) 5.766 18.102 ( -3.730 0.694 -12.056) 12.639 18.102 ( 3.730 0.694 -12.056) 12.639 18.582 ( -5.899 1.312 6.966) 9.222 18.582 ( 5.899 1.312 6.966) 9.222 20.065 ( -1.375 6.427 -0.664) 6.606 20.065 ( 1.375 6.427 -0.664) 6.606 20.200 ( -2.189 -3.614 -3.459) 5.461 20.200 ( 2.189 -3.614 -3.459) 5.461 21.020 ( -2.892 -2.434 -7.579) 8.469 21.020 ( 2.892 -2.434 -7.579) 8.469 21.384 ( -7.044 -0.835 -16.334) 17.808 21.384 ( 7.044 -0.835 -16.334) 17.808 21.718 ( -2.030 2.388 -11.325) 11.751 21.718 ( 2.030 2.388 -11.325) 11.751 22.103 ( -2.931 -7.557 -18.039) 19.777 22.103 ( 2.931 -7.557 -18.039) 19.777 22.605 ( -0.893 5.317 -18.899) 19.653 22.605 ( 0.893 5.317 -18.899) 19.653 23.990 ( -7.656 -0.678 -14.086) 16.046 23.990 ( 7.656 -0.678 -14.086) 16.046 24.391 ( -4.529 4.561 -19.523) 20.554 24.391 ( 4.529 4.561 -19.523) 20.554 24.725 ( -11.105 -4.904 -18.816) 22.393 24.725 ( 11.105 -4.904 -18.816) 22.393 25.567 ( -3.498 1.462 2.244) 4.405 25.567 ( 3.498 1.462 2.244) 4.405 26.855 ( -0.566 -0.264 -2.370) 2.451 26.855 ( 0.566 -0.264 -2.370) 2.451 ======================= Grid point 84 (33/72) ======================= q-point: ( 0.00 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 0.000 0.000 -5.552) 5.552 3.084 ( 0.000 0.000 -9.457) 9.457 3.817 ( 0.000 0.000 38.409) 38.409 4.221 ( 0.000 0.000 40.069) 40.069 4.452 ( 0.000 0.000 30.127) 30.127 4.504 ( 0.000 0.000 28.386) 28.386 4.811 ( 0.000 0.000 8.937) 8.937 5.118 ( 0.000 0.000 25.263) 25.263 5.130 ( 0.000 0.000 33.808) 33.808 5.169 ( 0.000 0.000 34.358) 34.358 5.607 ( 0.000 0.000 23.389) 23.389 5.785 ( 0.000 0.000 23.468) 23.468 5.907 ( 0.000 0.000 18.769) 18.769 6.225 ( 0.000 0.000 18.292) 18.292 6.306 ( 0.000 0.000 20.025) 20.025 6.330 ( 0.000 0.000 16.819) 16.819 6.331 ( 0.000 0.000 12.526) 12.526 6.535 ( 0.000 0.000 12.866) 12.866 6.676 ( 0.000 0.000 12.300) 12.300 6.885 ( 0.000 0.000 7.779) 7.779 6.940 ( 0.000 0.000 18.101) 18.101 7.021 ( 0.000 0.000 -2.998) 2.998 7.309 ( 0.000 0.000 -6.029) 6.029 7.416 ( 0.000 0.000 14.213) 14.213 7.489 ( 0.000 0.000 25.672) 25.672 7.598 ( 0.000 0.000 0.852) 0.852 7.742 ( 0.000 0.000 7.820) 7.820 7.833 ( 0.000 0.000 5.929) 5.929 8.003 ( 0.000 0.000 12.229) 12.229 8.096 ( 0.000 0.000 24.584) 24.584 8.538 ( 0.000 0.000 30.894) 30.894 8.645 ( 0.000 0.000 31.226) 31.226 8.829 ( 0.000 0.000 13.207) 13.207 9.036 ( 0.000 0.000 42.810) 42.810 9.255 ( 0.000 0.000 33.988) 33.988 9.313 ( 0.000 0.000 8.450) 8.450 9.422 ( 0.000 0.000 -3.723) 3.723 9.679 ( 0.000 0.000 19.653) 19.653 9.846 ( 0.000 0.000 32.900) 32.900 10.072 ( 0.000 0.000 27.203) 27.203 10.080 ( 0.000 0.000 7.941) 7.941 10.249 ( 0.000 0.000 41.702) 41.702 10.471 ( 0.000 0.000 38.568) 38.568 10.475 ( 0.000 0.000 1.430) 1.430 10.547 ( 0.000 0.000 25.252) 25.252 10.744 ( 0.000 0.000 -1.974) 1.974 10.805 ( 0.000 0.000 5.187) 5.187 10.871 ( 0.000 0.000 5.006) 5.006 11.118 ( 0.000 0.000 37.710) 37.710 11.146 ( 0.000 0.000 17.688) 17.688 11.291 ( 0.000 0.000 18.383) 18.383 11.656 ( 0.000 0.000 3.796) 3.796 11.733 ( 0.000 0.000 11.853) 11.853 11.895 ( 0.000 0.000 13.139) 13.139 11.966 ( 0.000 0.000 10.462) 10.462 12.189 ( 0.000 0.000 2.301) 2.301 12.282 ( 0.000 0.000 22.850) 22.850 12.345 ( 0.000 0.000 44.735) 44.735 12.568 ( 0.000 0.000 -2.944) 2.944 12.578 ( 0.000 0.000 6.394) 6.394 12.774 ( 0.000 0.000 -3.986) 3.986 12.823 ( 0.000 0.000 0.700) 0.700 12.930 ( 0.000 0.000 -3.814) 3.814 12.937 ( 0.000 0.000 1.012) 1.012 13.037 ( 0.000 0.000 13.925) 13.925 13.186 ( 0.000 0.000 14.456) 14.456 13.246 ( 0.000 0.000 11.332) 11.332 13.407 ( 0.000 0.000 -7.668) 7.668 13.424 ( 0.000 0.000 25.622) 25.622 13.504 ( 0.000 0.000 16.638) 16.638 13.543 ( 0.000 0.000 17.708) 17.708 13.582 ( 0.000 0.000 18.479) 18.479 13.660 ( 0.000 0.000 7.743) 7.743 13.716 ( 0.000 0.000 -5.977) 5.977 13.884 ( 0.000 0.000 -8.514) 8.514 13.889 ( 0.000 0.000 1.613) 1.613 14.273 ( 0.000 0.000 2.256) 2.256 14.423 ( 0.000 0.000 -26.380) 26.380 14.467 ( 0.000 0.000 34.550) 34.550 14.567 ( 0.000 0.000 -34.276) 34.276 14.976 ( 0.000 0.000 7.477) 7.477 15.106 ( 0.000 0.000 2.391) 2.391 15.369 ( 0.000 0.000 28.075) 28.075 15.448 ( 0.000 0.000 -2.702) 2.702 15.466 ( 0.000 0.000 -10.366) 10.366 15.907 ( 0.000 0.000 3.724) 3.724 16.036 ( 0.000 0.000 0.323) 0.323 16.264 ( 0.000 0.000 17.989) 17.989 16.719 ( 0.000 0.000 20.481) 20.481 16.889 ( 0.000 0.000 19.015) 19.015 17.255 ( 0.000 0.000 -6.190) 6.190 17.301 ( 0.000 0.000 -28.184) 28.184 17.714 ( 0.000 0.000 0.619) 0.619 18.171 ( 0.000 0.000 -0.805) 0.805 18.719 ( 0.000 0.000 26.010) 26.010 19.442 ( 0.000 0.000 -4.785) 4.785 19.979 ( 0.000 0.000 -0.738) 0.738 20.174 ( 0.000 0.000 -7.899) 7.899 20.456 ( 0.000 0.000 -6.143) 6.143 20.512 ( 0.000 0.000 -2.726) 2.726 20.545 ( 0.000 0.000 2.282) 2.282 20.670 ( 0.000 0.000 -0.761) 0.761 20.950 ( 0.000 0.000 -11.913) 11.913 21.027 ( 0.000 0.000 -21.075) 21.075 21.595 ( 0.000 0.000 -16.121) 16.121 21.612 ( 0.000 0.000 -4.243) 4.243 21.709 ( 0.000 0.000 -14.048) 14.048 22.257 ( 0.000 0.000 -18.421) 18.421 22.272 ( 0.000 0.000 -11.690) 11.690 22.332 ( 0.000 0.000 -13.162) 13.162 22.901 ( 0.000 0.000 -8.809) 8.809 23.434 ( 0.000 0.000 -16.555) 16.555 23.561 ( 0.000 0.000 -16.403) 16.403 24.123 ( 0.000 0.000 -16.119) 16.119 24.409 ( 0.000 0.000 -18.428) 18.428 25.066 ( 0.000 0.000 -26.505) 26.505 25.371 ( 0.000 0.000 2.312) 2.312 25.738 ( 0.000 0.000 -2.373) 2.373 26.715 ( 0.000 0.000 -8.237) 8.237 26.792 ( 0.000 0.000 -8.123) 8.123 ======================= Grid point 85 (34/72) ======================= q-point: ( 0.17 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 4.438 0.000 -7.195) 8.453 3.069 ( -1.436 0.000 -9.116) 9.228 3.895 ( 8.005 0.000 36.005) 36.884 4.236 ( 2.226 0.000 34.971) 35.041 4.511 ( 5.948 0.000 28.652) 29.263 4.618 ( 10.970 0.000 27.566) 29.669 4.834 ( 1.940 0.000 8.523) 8.741 5.067 ( -3.370 0.000 28.457) 28.655 5.141 ( 1.345 0.000 32.910) 32.938 5.231 ( 4.664 0.000 29.583) 29.949 5.578 ( -2.936 0.000 32.568) 32.700 5.749 ( -3.774 0.000 22.819) 23.129 5.872 ( -3.359 0.000 14.788) 15.165 6.080 ( -8.738 0.000 20.886) 22.640 6.254 ( -8.406 0.000 15.118) 17.298 6.292 ( -2.336 0.000 14.112) 14.304 6.421 ( 4.000 0.000 17.881) 18.323 6.461 ( -9.667 0.000 24.467) 26.308 6.613 ( -3.980 0.000 9.360) 10.171 6.789 ( -11.348 0.000 7.744) 13.739 6.815 ( -6.161 0.000 14.600) 15.847 7.119 ( 4.805 0.000 2.853) 5.588 7.153 ( -9.494 0.000 1.220) 9.572 7.353 ( -4.414 0.000 7.340) 8.565 7.492 ( -0.169 0.000 15.508) 15.509 7.554 ( -7.287 0.000 1.569) 7.454 7.776 ( 3.589 0.000 14.274) 14.718 7.806 ( -0.889 0.000 6.007) 6.072 8.236 ( 20.134 0.000 22.053) 29.861 8.278 ( 16.546 0.000 18.245) 24.630 8.606 ( 6.656 0.000 34.669) 35.302 8.649 ( -1.021 0.000 22.852) 22.875 8.875 ( 7.630 0.000 16.006) 17.731 9.109 ( 7.215 0.000 39.900) 40.547 9.259 ( 3.949 0.000 25.367) 25.673 9.394 ( 0.350 0.000 2.254) 2.282 9.445 ( 2.148 0.000 10.097) 10.323 9.717 ( -1.027 0.000 12.057) 12.101 9.729 ( -4.009 0.000 24.685) 25.009 9.998 ( -12.861 0.000 47.310) 49.027 10.126 ( 4.108 0.000 9.444) 10.299 10.185 ( 6.140 0.000 27.454) 28.132 10.427 ( -2.452 0.000 24.512) 24.635 10.561 ( 0.608 0.000 14.233) 14.246 10.611 ( 2.321 0.000 20.425) 20.556 10.686 ( -0.257 0.000 -0.964) 0.998 10.829 ( -4.181 0.000 6.735) 7.927 10.925 ( 10.539 0.000 27.482) 29.434 11.117 ( -0.281 0.000 34.089) 34.090 11.197 ( 6.087 0.000 13.348) 14.670 11.300 ( -1.122 0.000 24.116) 24.142 11.572 ( -13.192 0.000 5.884) 14.445 11.705 ( 4.026 0.000 6.561) 7.697 11.772 ( -18.106 0.000 18.497) 25.884 11.910 ( 1.612 0.000 11.090) 11.206 12.176 ( -2.831 0.000 -1.034) 3.014 12.302 ( 0.520 0.000 14.382) 14.392 12.359 ( 0.338 0.000 30.073) 30.075 12.487 ( -0.102 0.000 7.795) 7.796 12.698 ( 3.504 0.000 0.455) 3.533 12.770 ( -0.685 0.000 -1.961) 2.077 12.791 ( -5.502 0.000 -2.307) 5.966 12.893 ( -3.871 0.000 1.614) 4.194 12.901 ( -1.734 0.000 -2.474) 3.021 13.032 ( -11.107 0.000 10.796) 15.489 13.075 ( 1.801 0.000 13.622) 13.741 13.260 ( -2.621 0.000 10.077) 10.412 13.324 ( -0.876 0.000 4.108) 4.201 13.400 ( -4.032 0.000 19.680) 20.089 13.470 ( 0.641 0.000 17.824) 17.836 13.540 ( -3.730 0.000 16.643) 17.056 13.552 ( 3.040 0.000 19.741) 19.974 13.662 ( -3.494 0.000 8.577) 9.262 13.755 ( -1.530 0.000 -0.936) 1.793 13.779 ( -8.112 0.000 -2.255) 8.420 13.938 ( 6.645 0.000 -0.733) 6.686 14.450 ( 5.934 0.000 -18.602) 19.526 14.457 ( 4.016 0.000 19.358) 19.771 14.482 ( 13.526 0.000 8.355) 15.898 14.714 ( 9.125 0.000 -27.838) 29.295 14.967 ( 0.264 0.000 2.362) 2.377 15.079 ( -2.205 0.000 2.080) 3.031 15.377 ( 0.471 0.000 23.443) 23.448 15.446 ( -0.252 0.000 -1.622) 1.641 15.539 ( 7.224 0.000 -4.084) 8.299 15.878 ( -2.578 0.000 0.709) 2.673 15.980 ( -5.857 0.000 -1.127) 5.964 16.219 ( -4.672 0.000 16.308) 16.964 16.769 ( 4.747 0.000 20.284) 20.832 16.869 ( -1.360 0.000 10.072) 10.164 17.250 ( 5.729 0.000 -5.525) 7.959 17.518 ( 15.126 0.000 -17.502) 23.132 17.694 ( -1.908 0.000 -0.969) 2.140 18.144 ( -2.952 0.000 -0.354) 2.973 18.705 ( -1.275 0.000 23.928) 23.962 19.331 ( -12.094 0.000 -1.647) 12.206 19.969 ( -0.581 0.000 -0.872) 1.048 20.172 ( -0.592 0.000 -6.912) 6.937 20.279 ( -11.847 0.000 1.758) 11.976 20.407 ( -10.091 0.000 -3.121) 10.563 20.656 ( 4.320 0.000 -3.677) 5.673 20.746 ( 11.779 0.000 -2.375) 12.016 20.931 ( 0.026 0.000 -13.535) 13.535 21.092 ( 4.698 0.000 -17.021) 17.658 21.567 ( -3.602 0.000 -16.282) 16.676 21.582 ( -2.891 0.000 -4.785) 5.591 21.835 ( 9.075 0.000 -16.379) 18.725 22.167 ( -6.352 0.000 -15.087) 16.370 22.229 ( -5.505 0.000 -13.339) 14.430 22.260 ( -6.529 0.000 -12.193) 13.831 23.026 ( 13.127 0.000 -10.206) 16.628 23.587 ( 14.850 0.000 -17.869) 23.234 23.632 ( 7.067 0.000 -16.608) 18.049 24.101 ( -2.433 0.000 -16.266) 16.447 24.335 ( -7.726 0.000 -18.255) 19.823 24.962 ( -10.770 0.000 -25.463) 27.647 25.401 ( 3.101 0.000 1.766) 3.569 25.725 ( -1.726 0.000 -2.711) 3.214 26.723 ( 0.835 0.000 -7.944) 7.988 26.789 ( -0.337 0.000 -7.907) 7.914 ======================= Grid point 86 (35/72) ======================= q-point: ( 0.33 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 4.130 0.000 -8.903) 9.814 3.037 ( -1.946 0.000 -8.636) 8.853 4.083 ( 11.374 0.000 29.579) 31.690 4.292 ( 2.395 0.000 25.697) 25.809 4.644 ( 7.854 0.000 24.481) 25.710 4.829 ( 5.825 0.000 15.308) 16.379 4.858 ( 3.854 0.000 18.456) 18.854 5.015 ( -2.246 0.000 27.335) 27.427 5.194 ( 5.241 0.000 29.699) 30.158 5.322 ( 4.644 0.000 25.709) 26.125 5.539 ( 0.222 0.000 46.079) 46.080 5.656 ( -5.938 0.000 23.038) 23.791 5.812 ( -2.631 0.000 12.444) 12.719 5.958 ( -3.856 0.000 19.202) 19.585 6.026 ( -14.687 0.000 21.999) 26.451 6.233 ( -3.025 0.000 19.971) 20.199 6.299 ( -6.779 0.000 26.033) 26.901 6.344 ( -21.040 0.000 17.089) 27.106 6.470 ( 3.083 0.000 19.265) 19.510 6.665 ( -4.253 0.000 9.086) 10.033 6.785 ( 2.454 0.000 14.695) 14.899 7.013 ( -7.444 0.000 4.392) 8.643 7.180 ( 2.497 0.000 2.983) 3.891 7.309 ( -1.348 0.000 7.150) 7.276 7.412 ( -4.383 0.000 0.522) 4.415 7.485 ( -0.533 0.000 3.731) 3.769 7.780 ( -1.709 0.000 7.563) 7.754 7.820 ( -0.540 0.000 13.446) 13.457 8.571 ( 15.008 0.000 25.257) 29.379 8.635 ( 2.734 0.000 42.534) 42.622 8.653 ( 21.377 0.000 25.558) 33.319 8.785 ( 10.933 0.000 14.397) 18.077 9.070 ( 9.621 0.000 15.136) 17.935 9.222 ( -12.320 0.000 5.421) 13.460 9.244 ( 5.088 0.000 30.960) 31.376 9.339 ( 0.005 0.000 14.920) 14.920 9.528 ( 5.914 0.000 12.029) 13.404 9.552 ( -8.582 0.000 15.794) 17.975 9.748 ( -0.111 0.000 25.577) 25.578 9.845 ( -9.354 0.000 42.428) 43.447 10.216 ( 2.665 0.000 38.266) 38.359 10.258 ( 9.079 0.000 6.686) 11.275 10.510 ( 10.541 0.000 14.203) 17.687 10.550 ( -1.613 0.000 10.062) 10.191 10.590 ( -0.954 0.000 0.922) 1.327 10.760 ( 6.704 0.000 14.772) 16.222 10.798 ( 1.751 0.000 10.082) 10.233 11.044 ( -8.702 0.000 39.572) 40.518 11.079 ( -4.509 0.000 34.220) 34.516 11.183 ( -3.354 0.000 33.362) 33.530 11.299 ( -17.804 0.000 20.207) 26.931 11.312 ( 4.379 0.000 19.552) 20.036 11.557 ( 0.759 0.000 2.687) 2.792 11.771 ( 1.540 0.000 -0.460) 1.608 11.886 ( -4.610 0.000 10.362) 11.341 12.176 ( 7.345 0.000 6.066) 9.526 12.232 ( -9.586 0.000 1.641) 9.725 12.367 ( 1.630 0.000 12.885) 12.988 12.538 ( 3.293 0.000 0.667) 3.360 12.644 ( -9.108 0.000 2.069) 9.341 12.677 ( -4.048 0.000 8.249) 9.189 12.747 ( -1.948 0.000 0.008) 1.948 12.763 ( -6.297 0.000 0.419) 6.311 12.821 ( -6.531 0.000 -2.235) 6.903 13.001 ( 5.503 0.000 8.336) 9.989 13.086 ( 0.118 0.000 10.663) 10.664 13.205 ( -2.584 0.000 10.674) 10.983 13.351 ( 2.860 0.000 5.639) 6.322 13.374 ( -3.150 0.000 14.850) 15.181 13.446 ( -3.053 0.000 17.022) 17.294 13.489 ( -6.355 0.000 3.208) 7.119 13.501 ( -0.917 0.000 20.642) 20.662 13.635 ( 1.936 0.000 18.114) 18.217 13.684 ( -3.918 0.000 5.986) 7.154 13.772 ( 6.461 0.000 18.616) 19.705 14.022 ( -0.293 0.000 4.874) 4.882 14.476 ( 3.171 0.000 19.662) 19.916 14.576 ( 5.013 0.000 -7.562) 9.073 14.790 ( 1.026 0.000 -3.652) 3.794 14.794 ( 13.380 0.000 -13.601) 19.079 15.034 ( 5.394 0.000 -14.980) 15.921 15.035 ( -1.922 0.000 5.501) 5.827 15.392 ( 1.154 0.000 17.098) 17.137 15.438 ( -0.650 0.000 -0.888) 1.101 15.682 ( 6.787 0.000 -1.313) 6.913 15.848 ( 0.810 0.000 -3.209) 3.309 15.851 ( -7.066 0.000 -2.996) 7.675 16.101 ( -7.881 0.000 10.018) 12.746 16.856 ( 3.745 0.000 18.651) 19.024 16.870 ( 1.311 0.000 8.980) 9.075 17.414 ( 10.248 0.000 -2.302) 10.503 17.653 ( -2.554 0.000 -4.102) 4.832 17.783 ( 12.633 0.000 -11.316) 16.960 18.068 ( -5.014 0.000 0.306) 5.023 18.690 ( 0.419 0.000 19.047) 19.052 19.034 ( -17.987 0.000 7.116) 19.343 19.974 ( 1.349 0.000 -0.418) 1.412 20.101 ( -6.764 0.000 2.936) 7.373 20.149 ( -1.505 0.000 -5.855) 6.046 20.232 ( -7.565 0.000 -4.771) 8.944 20.803 ( 10.270 0.000 -5.864) 11.826 20.940 ( 8.615 0.000 -4.997) 9.960 20.964 ( 2.740 0.000 -9.229) 9.627 21.148 ( -0.259 0.000 -15.974) 15.976 21.467 ( -5.304 0.000 -13.426) 14.436 21.516 ( -4.022 0.000 -6.822) 7.919 21.932 ( 1.309 0.000 -17.351) 17.400 22.077 ( -6.053 0.000 -11.350) 12.863 22.113 ( -3.104 0.000 -16.195) 16.490 22.156 ( -3.502 0.000 -11.958) 12.461 23.343 ( 19.840 0.000 -13.054) 23.750 23.791 ( 9.564 0.000 -16.972) 19.481 23.864 ( 7.330 0.000 -17.243) 18.736 24.063 ( 3.876 0.000 -18.608) 19.007 24.152 ( -10.912 0.000 -18.282) 21.291 24.698 ( -17.268 0.000 -23.862) 29.455 25.477 ( 4.989 0.000 0.523) 5.016 25.669 ( -4.309 0.000 -2.367) 4.916 26.743 ( 1.213 0.000 -7.439) 7.537 26.780 ( -0.673 0.000 -7.472) 7.503 ======================= Grid point 87 (36/72) ======================= q-point: (-0.50 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -2.526 0.000 -8.769) 9.126 2.998 ( 2.526 0.000 -8.769) 9.126 4.260 ( -6.514 0.000 23.141) 24.040 4.260 ( 6.514 0.000 23.141) 24.040 4.775 ( -5.851 0.000 17.136) 18.108 4.775 ( 5.851 0.000 17.136) 18.108 4.971 ( -3.443 0.000 25.162) 25.397 4.971 ( 3.443 0.000 25.162) 25.397 5.327 ( -6.109 0.000 23.249) 24.038 5.327 ( 6.109 0.000 23.249) 24.038 5.575 ( -2.162 0.000 33.124) 33.195 5.575 ( 2.162 0.000 33.124) 33.195 5.814 ( -5.807 0.000 27.775) 28.376 5.814 ( 5.807 0.000 27.775) 28.376 6.016 ( -11.617 0.000 15.464) 19.341 6.016 ( 11.617 0.000 15.464) 19.341 6.222 ( -2.013 0.000 25.333) 25.413 6.222 ( 2.013 0.000 25.333) 25.413 6.560 ( -6.297 0.000 16.742) 17.887 6.560 ( 6.297 0.000 16.742) 17.887 6.875 ( -6.816 0.000 9.967) 12.075 6.875 ( 6.816 0.000 9.967) 12.075 7.237 ( -4.159 0.000 4.258) 5.952 7.237 ( 4.159 0.000 4.258) 5.952 7.450 ( -3.891 0.000 -2.211) 4.475 7.450 ( 3.891 0.000 -2.211) 4.475 7.775 ( -2.027 0.000 11.756) 11.929 7.775 ( 2.027 0.000 11.756) 11.929 8.710 ( -1.369 0.000 40.169) 40.193 8.710 ( 1.369 0.000 40.169) 40.193 8.990 ( -8.635 0.000 9.619) 12.926 8.990 ( 8.635 0.000 9.618) 12.926 8.994 ( -12.297 0.000 21.514) 24.781 8.994 ( 12.297 0.000 21.514) 24.780 9.335 ( -3.477 0.000 7.690) 8.439 9.335 ( 3.477 0.000 7.690) 8.439 9.556 ( -2.276 0.000 18.077) 18.220 9.556 ( 2.276 0.000 18.077) 18.220 9.690 ( -0.919 0.000 41.818) 41.828 9.690 ( 0.919 0.000 41.818) 41.828 10.375 ( -2.000 0.000 5.741) 6.080 10.375 ( 2.000 0.000 5.741) 6.080 10.518 ( -5.982 0.000 14.488) 15.674 10.518 ( 5.982 0.000 14.488) 15.674 10.738 ( -10.897 0.000 15.402) 18.867 10.738 ( 10.897 0.000 15.402) 18.867 10.914 ( -13.391 0.000 19.191) 23.401 10.914 ( 13.391 0.000 19.191) 23.401 10.953 ( -7.929 0.000 30.597) 31.608 10.953 ( 7.929 0.000 30.597) 31.608 11.309 ( -4.370 0.000 37.194) 37.450 11.309 ( 4.370 0.000 37.194) 37.450 11.653 ( -8.112 0.000 2.239) 8.415 11.653 ( 8.112 0.000 2.239) 8.415 12.000 ( -13.022 0.000 0.225) 13.024 12.000 ( 13.022 0.000 0.225) 13.024 12.356 ( -7.311 0.000 1.782) 7.526 12.356 ( 7.311 0.000 1.782) 7.526 12.531 ( -0.612 0.000 7.142) 7.168 12.531 ( 0.612 0.000 7.142) 7.168 12.680 ( -5.052 0.000 -0.205) 5.057 12.680 ( 5.052 0.000 -0.205) 5.057 12.733 ( -1.571 0.000 2.537) 2.984 12.733 ( 1.571 0.000 2.537) 2.984 13.090 ( -0.934 0.000 4.340) 4.439 13.090 ( 0.934 0.000 4.340) 4.439 13.219 ( -6.952 0.000 18.625) 19.880 13.219 ( 6.952 0.000 18.625) 19.880 13.411 ( -3.045 0.000 0.976) 3.198 13.411 ( 3.045 0.000 0.976) 3.198 13.480 ( -1.709 0.000 20.961) 21.031 13.480 ( 1.709 0.000 20.961) 21.031 13.642 ( -0.646 0.000 13.190) 13.205 13.642 ( 0.646 0.000 13.190) 13.205 13.928 ( -8.375 0.000 18.234) 20.066 13.928 ( 8.375 0.000 18.234) 20.066 14.566 ( -4.873 0.000 3.536) 6.021 14.566 ( 4.873 0.000 3.536) 6.021 14.850 ( -4.395 0.000 -3.871) 5.856 14.850 ( 4.395 0.000 -3.871) 5.856 15.070 ( -2.545 0.000 -7.150) 7.589 15.070 ( 2.545 0.000 -7.150) 7.589 15.416 ( -1.545 0.000 4.782) 5.025 15.416 ( 1.545 0.000 4.782) 5.025 15.756 ( -3.119 0.000 -4.456) 5.439 15.756 ( 3.119 0.000 -4.456) 5.439 15.946 ( -8.322 0.000 2.898) 8.812 15.946 ( 8.322 0.000 2.898) 8.812 16.889 ( -0.033 0.000 14.316) 14.316 16.889 ( 0.033 0.000 14.316) 14.316 17.577 ( -6.611 0.000 -4.568) 8.036 17.577 ( 6.611 0.000 -4.568) 8.036 17.962 ( -7.093 0.000 -3.394) 7.863 17.962 ( 7.093 0.000 -3.394) 7.863 18.767 ( -9.324 0.000 14.179) 16.970 18.767 ( 9.324 0.000 14.179) 16.970 20.017 ( -3.205 0.000 0.828) 3.311 20.017 ( 3.205 0.000 0.828) 3.311 20.145 ( -1.850 0.000 -5.219) 5.537 20.145 ( 1.850 0.000 -5.219) 5.537 20.973 ( -4.764 0.000 -3.459) 5.887 20.973 ( 4.764 0.000 -3.459) 5.887 21.058 ( -6.395 0.000 -14.454) 15.806 21.058 ( 6.395 0.000 -14.454) 15.806 21.449 ( -2.629 0.000 -9.404) 9.764 21.449 ( 2.629 0.000 -9.404) 9.764 21.961 ( -4.059 0.000 -14.217) 14.785 21.961 ( 4.059 0.000 -14.217) 14.785 22.118 ( -1.458 0.000 -14.352) 14.426 22.118 ( 1.458 0.000 -14.352) 14.426 23.698 ( -17.356 0.000 -14.897) 22.873 23.698 ( 17.356 0.000 -14.897) 22.873 23.966 ( -9.474 0.000 -17.353) 19.771 23.966 ( 9.474 0.000 -17.353) 19.771 24.352 ( -19.697 0.000 -22.537) 29.932 24.352 ( 19.697 0.000 -22.537) 29.932 25.576 ( -5.539 0.000 -1.015) 5.631 25.576 ( 5.539 0.000 -1.015) 5.631 26.764 ( -1.034 0.000 -7.237) 7.311 26.764 ( 1.034 0.000 -7.237) 7.311 ======================= Grid point 91 (37/72) ======================= q-point: ( 0.00 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 0.000 5.553 -6.481) 8.534 3.010 ( 0.000 -6.058 -8.556) 10.484 3.899 ( 0.000 7.765 37.472) 38.268 4.149 ( 0.000 -13.849 36.163) 38.724 4.315 ( 0.000 4.289 31.715) 32.004 4.442 ( 0.000 -5.370 30.605) 31.072 5.039 ( 0.000 7.321 22.602) 23.758 5.097 ( 0.000 -0.881 31.841) 31.853 5.240 ( 0.000 7.681 24.461) 25.638 5.246 ( 0.000 7.389 21.359) 22.601 5.638 ( 0.000 3.076 16.095) 16.386 5.751 ( 0.000 -1.748 31.273) 31.322 5.790 ( 0.000 -9.520 11.951) 15.279 5.865 ( 0.000 -14.647 29.567) 32.996 6.333 ( 0.000 2.262 19.245) 19.378 6.344 ( 0.000 1.079 13.119) 13.164 6.479 ( 0.000 -2.114 14.651) 14.803 6.501 ( 0.000 -1.554 19.436) 19.498 6.810 ( 0.000 11.604 1.540) 11.706 6.908 ( 0.000 0.707 4.726) 4.778 7.069 ( 0.000 5.510 2.075) 5.888 7.099 ( 0.000 10.016 20.635) 22.938 7.298 ( 0.000 -5.659 -4.741) 7.382 7.330 ( 0.000 -7.342 15.959) 17.567 7.451 ( 0.000 2.213 6.111) 6.500 7.620 ( 0.000 -9.124 6.525) 11.217 7.681 ( 0.000 6.713 14.590) 16.061 7.804 ( 0.000 -3.363 8.054) 8.728 7.978 ( 0.000 0.165 17.734) 17.735 8.044 ( 0.000 -4.531 21.473) 21.946 8.631 ( 0.000 6.247 24.119) 24.915 8.703 ( 0.000 5.597 37.159) 37.578 8.750 ( 0.000 -5.009 15.195) 15.999 8.888 ( 0.000 -10.218 47.337) 48.427 9.321 ( 0.000 1.878 16.802) 16.906 9.323 ( 0.000 0.715 8.998) 9.027 9.482 ( 0.000 5.934 8.755) 10.576 9.616 ( 0.000 -5.138 17.235) 17.984 9.895 ( 0.000 3.568 34.780) 34.963 9.995 ( 0.000 -5.185 19.228) 19.915 10.063 ( 0.000 2.205 37.136) 37.201 10.234 ( 0.000 -11.605 18.911) 22.188 10.457 ( 0.000 13.141 10.302) 16.698 10.525 ( 0.000 -0.500 13.871) 13.880 10.572 ( 0.000 5.737 23.455) 24.146 10.802 ( 0.000 2.740 6.775) 7.308 10.846 ( 0.000 -0.602 10.751) 10.768 10.938 ( 0.000 -16.738 17.663) 24.334 11.050 ( 0.000 11.344 6.954) 13.305 11.254 ( 0.000 -7.597 27.171) 28.213 11.296 ( 0.000 18.667 39.689) 43.860 11.574 ( 0.000 3.334 -3.076) 4.537 11.805 ( 0.000 -11.175 14.599) 18.385 11.848 ( 0.000 -9.391 2.452) 9.706 11.968 ( 0.000 9.558 16.379) 18.964 12.121 ( 0.000 -4.692 11.257) 12.196 12.211 ( 0.000 -1.185 28.042) 28.067 12.302 ( 0.000 -3.180 20.859) 21.100 12.491 ( 0.000 -1.682 6.566) 6.778 12.537 ( 0.000 -3.092 7.409) 8.029 12.782 ( 0.000 0.657 -2.678) 2.757 12.804 ( 0.000 -1.244 -0.958) 1.570 12.955 ( 0.000 1.243 0.783) 1.469 12.966 ( 0.000 0.797 -0.812) 1.138 13.187 ( 0.000 9.102 11.386) 14.577 13.268 ( 0.000 5.102 12.533) 13.532 13.283 ( 0.000 2.487 11.370) 11.639 13.338 ( 0.000 -4.839 4.653) 6.713 13.445 ( 0.000 1.433 16.150) 16.214 13.512 ( 0.000 -3.085 17.081) 17.357 13.535 ( 0.000 1.939 14.765) 14.891 13.569 ( 0.000 -1.144 17.105) 17.143 13.666 ( 0.000 0.981 4.641) 4.744 13.701 ( 0.000 -1.473 -2.234) 2.676 13.876 ( 0.000 -0.700 -0.185) 0.724 13.882 ( 0.000 -0.851 -7.675) 7.722 14.230 ( 0.000 0.927 7.739) 7.795 14.347 ( 0.000 -7.870 19.045) 20.607 14.503 ( 0.000 4.400 -25.257) 25.637 14.569 ( 0.000 -1.377 -25.362) 25.400 14.997 ( 0.000 2.133 6.003) 6.370 15.062 ( 0.000 -3.322 3.482) 4.812 15.398 ( 0.000 2.205 21.742) 21.854 15.439 ( 0.000 -1.161 6.939) 7.035 15.583 ( 0.000 9.243 -7.050) 11.625 15.791 ( 0.000 -8.600 -0.710) 8.629 16.131 ( 0.000 6.181 3.919) 7.319 16.240 ( 0.000 -2.919 12.855) 13.182 16.730 ( 0.000 2.127 18.709) 18.830 16.822 ( 0.000 -5.194 18.496) 19.211 17.306 ( 0.000 2.904 -10.012) 10.425 17.322 ( 0.000 1.119 -21.104) 21.134 17.790 ( 0.000 7.904 0.823) 7.947 18.031 ( 0.000 -11.519 -0.068) 11.519 18.844 ( 0.000 10.979 21.737) 24.353 19.165 ( 0.000 -17.566 9.425) 19.935 20.103 ( 0.000 5.979 -5.985) 8.460 20.172 ( 0.000 -0.826 -7.818) 7.862 20.480 ( 0.000 2.116 -5.659) 6.042 20.504 ( 0.000 0.145 -0.727) 0.742 20.524 ( 0.000 -1.657 1.257) 2.080 20.564 ( 0.000 -5.285 -3.608) 6.400 21.081 ( 0.000 3.925 -20.912) 21.278 21.113 ( 0.000 4.483 -18.418) 18.956 21.570 ( 0.000 6.689 -10.129) 12.138 21.699 ( 0.000 -2.039 -13.967) 14.115 21.806 ( 0.000 11.182 -9.876) 14.919 22.122 ( 0.000 -14.848 -11.955) 19.063 22.245 ( 0.000 -0.316 -16.456) 16.459 22.271 ( 0.000 -2.562 -13.230) 13.476 22.950 ( 0.000 4.565 -9.519) 10.557 23.119 ( 0.000 -11.963 -12.128) 17.035 23.942 ( 0.000 15.918 -18.554) 24.446 24.112 ( 0.000 -1.902 -17.167) 17.272 24.462 ( 0.000 6.986 -17.597) 18.933 24.767 ( 0.000 -18.477 -18.783) 26.348 25.560 ( 0.000 9.501 -4.302) 10.430 25.702 ( 0.000 -3.711 -3.429) 5.053 26.732 ( 0.000 1.462 -8.099) 8.230 26.770 ( 0.000 -1.769 -8.060) 8.252 ======================= Grid point 92 (38/72) ======================= q-point: ( 0.17 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 2.845 4.163 -7.420) 8.971 3.009 ( -0.116 -4.871 -8.450) 9.754 3.977 ( 8.078 7.754 34.980) 36.729 4.216 ( 6.837 -11.878 35.186) 37.761 4.348 ( 3.890 4.374 26.023) 26.674 4.519 ( 7.198 -8.185 27.030) 29.144 5.036 ( -0.518 6.844 22.872) 23.880 5.090 ( -1.152 -0.136 30.440) 30.462 5.193 ( -1.434 8.465 27.324) 28.641 5.316 ( 3.865 3.293 22.310) 22.880 5.637 ( -0.823 5.809 25.705) 26.366 5.690 ( -4.944 -2.666 27.391) 27.961 5.793 ( -2.918 -11.918 22.249) 25.409 5.811 ( -0.525 -8.265 14.772) 16.935 6.289 ( -2.979 2.386 20.409) 20.763 6.343 ( -2.341 -0.736 18.848) 19.007 6.447 ( -5.477 1.886 19.086) 19.946 6.543 ( 0.655 -3.278 13.297) 13.711 6.604 ( -13.245 7.731 8.563) 17.565 6.729 ( -15.858 -3.262 8.855) 18.453 6.990 ( -3.476 10.654 11.827) 16.294 7.143 ( -1.306 -0.003 10.640) 10.719 7.233 ( -8.154 5.891 -0.328) 10.065 7.309 ( -1.679 -2.534 5.987) 6.715 7.399 ( -2.276 -4.015 3.921) 6.056 7.530 ( -3.275 -7.338 6.365) 10.251 7.725 ( -0.451 2.599 16.772) 16.978 7.815 ( 0.164 -2.610 7.069) 7.537 8.236 ( 21.141 -0.428 19.462) 28.739 8.242 ( 19.632 -1.558 18.301) 26.885 8.667 ( 1.924 4.833 47.390) 47.675 8.695 ( 3.695 3.767 13.877) 14.846 8.837 ( 7.997 -2.249 18.477) 20.259 8.926 ( 4.983 -10.897 41.184) 42.891 9.359 ( 4.304 4.860 12.878) 14.421 9.431 ( 3.516 -1.449 4.870) 6.179 9.486 ( 2.035 6.674 13.939) 15.588 9.641 ( -0.050 -6.596 15.582) 16.921 9.750 ( -5.605 3.558 29.497) 30.234 9.877 ( -6.445 -7.060 40.667) 41.776 10.224 ( 8.767 5.425 22.381) 24.641 10.321 ( 2.702 1.362 16.233) 16.513 10.419 ( -0.121 5.825 9.026) 10.743 10.436 ( -8.502 1.608 21.218) 22.914 10.574 ( 3.195 -6.047 15.522) 16.962 10.692 ( -11.497 -10.631 7.788) 17.489 10.901 ( 6.331 10.293 13.911) 18.427 11.033 ( 7.155 1.320 25.054) 26.089 11.120 ( 6.314 1.640 5.779) 8.715 11.212 ( -2.750 6.974 34.169) 34.981 11.280 ( -4.354 -3.077 32.075) 32.515 11.508 ( -10.851 -5.572 12.353) 17.360 11.686 ( -6.476 0.542 6.581) 9.249 11.843 ( -1.654 -5.037 9.747) 11.096 11.904 ( -3.346 7.710 13.295) 15.729 12.082 ( -2.572 -6.683 8.855) 11.388 12.273 ( 5.188 0.204 19.187) 19.877 12.359 ( 2.585 -2.188 14.384) 14.778 12.476 ( -0.127 2.513 7.051) 7.486 12.597 ( 4.363 -6.833 2.496) 8.483 12.783 ( -0.367 1.075 -1.434) 1.829 12.810 ( -1.041 -0.829 -0.816) 1.561 12.894 ( -4.729 0.860 2.902) 5.615 12.912 ( -5.903 -0.427 0.661) 5.956 13.114 ( -11.309 7.932 3.347) 14.213 13.159 ( -5.603 3.443 2.440) 7.015 13.275 ( -2.527 0.206 10.048) 10.363 13.314 ( 1.133 -0.224 12.181) 12.235 13.440 ( -1.259 1.852 21.719) 21.835 13.449 ( -2.375 0.256 13.650) 13.858 13.491 ( -4.479 -3.089 18.579) 19.360 13.536 ( -2.356 -4.459 10.961) 12.066 13.650 ( -3.304 1.337 9.131) 9.802 13.696 ( -0.692 -2.235 11.435) 11.672 13.852 ( -1.100 4.394 -2.658) 5.252 13.942 ( 3.172 -2.009 -2.317) 4.412 14.334 ( 9.003 -0.983 7.133) 11.529 14.407 ( 7.506 -5.274 18.026) 20.226 14.599 ( 8.804 5.191 -20.918) 23.282 14.688 ( 9.259 -2.805 -26.863) 28.552 14.993 ( 0.186 3.034 5.989) 6.716 15.065 ( 1.156 -2.341 4.210) 4.954 15.398 ( -0.453 1.803 17.625) 17.723 15.435 ( -0.533 -1.178 6.048) 6.184 15.617 ( 3.806 6.703 -4.438) 8.894 15.779 ( -0.800 -7.051 -2.192) 7.428 16.072 ( -6.068 6.014 2.374) 8.867 16.184 ( -5.644 -3.536 10.995) 12.854 16.774 ( 4.284 1.374 18.029) 18.582 16.833 ( 1.602 -3.081 15.464) 15.849 17.335 ( 5.624 6.396 -9.994) 13.131 17.462 ( 9.668 -4.604 -14.717) 18.200 17.787 ( 0.396 8.212 -0.491) 8.236 18.013 ( -1.658 -10.589 0.144) 10.719 18.825 ( -1.913 10.358 20.240) 22.817 19.112 ( -5.839 -14.789 9.731) 18.641 20.077 ( -2.303 5.913 -5.258) 8.241 20.159 ( -1.574 -1.718 -6.689) 7.083 20.304 ( -10.449 1.964 -0.926) 10.673 20.359 ( -9.506 -3.141 -2.883) 10.418 20.674 ( 7.176 1.516 -3.117) 7.969 20.715 ( 10.753 -2.069 -2.049) 11.140 21.041 ( -2.765 6.497 -17.787) 19.137 21.116 ( 0.554 0.203 -18.295) 18.305 21.510 ( -3.563 4.515 -9.988) 11.525 21.718 ( -0.096 -8.980 -14.489) 17.046 21.783 ( -4.523 9.001 -9.576) 13.899 22.008 ( -6.372 -10.998 -10.436) 16.446 22.240 ( -0.131 4.314 -14.862) 15.476 22.315 ( 0.219 -1.011 -15.838) 15.872 23.080 ( 13.635 5.139 -11.035) 18.278 23.265 ( 14.433 -12.317 -13.841) 23.486 23.987 ( 4.613 12.845 -19.015) 23.406 24.102 ( -1.279 -0.596 -17.293) 17.350 24.392 ( -7.377 7.736 -17.581) 20.576 24.705 ( -6.718 -17.518 -19.733) 27.229 25.552 ( -0.582 8.586 -3.086) 9.143 25.687 ( -1.671 -3.753 -3.312) 5.277 26.737 ( 0.558 1.238 -7.841) 7.958 26.770 ( -0.036 -1.525 -7.836) 7.983 ======================= Grid point 93 (39/72) ======================= q-point: ( 0.33 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 2.680 1.691 -8.542) 9.111 3.005 ( -0.346 -2.461 -8.423) 8.782 4.166 ( 11.420 7.584 28.892) 31.980 4.355 ( 5.789 -1.094 31.168) 31.720 4.450 ( 7.206 -3.605 15.595) 17.554 4.641 ( 3.659 -12.126 16.383) 20.708 5.015 ( -1.345 5.730 25.447) 26.119 5.052 ( -2.306 0.979 30.344) 30.448 5.210 ( 3.569 5.078 30.682) 31.304 5.358 ( -0.277 -3.665 24.028) 24.308 5.570 ( -0.812 3.756 39.727) 39.912 5.702 ( 3.452 6.240 20.708) 21.901 5.738 ( -1.994 -9.887 23.605) 25.669 5.828 ( 1.078 -2.769 14.153) 14.462 6.147 ( -17.661 6.393 20.283) 27.644 6.236 ( -5.369 0.550 24.544) 25.130 6.275 ( -5.378 -2.298 26.274) 26.917 6.292 ( -17.311 -3.922 14.033) 22.627 6.561 ( 2.944 6.103 13.812) 15.384 6.659 ( 1.403 -1.933 8.569) 8.896 6.933 ( -2.257 10.238 11.045) 15.228 7.060 ( -7.706 3.533 6.152) 10.474 7.115 ( -1.507 -4.027 9.641) 10.557 7.239 ( -4.965 -6.559 3.902) 9.105 7.401 ( 1.511 1.275 0.229) 1.990 7.482 ( -2.426 -2.315 2.769) 4.349 7.701 ( -1.557 -1.897 12.799) 13.032 7.768 ( -4.590 -5.070 10.720) 12.716 8.616 ( 16.674 1.421 27.737) 32.394 8.633 ( 20.730 -0.146 21.424) 29.812 8.742 ( 7.859 9.709 47.086) 48.714 8.848 ( 11.243 4.293 11.808) 16.860 8.996 ( 7.104 -4.836 11.107) 14.044 9.056 ( 6.599 -12.290 32.892) 35.728 9.321 ( -5.622 6.568 9.581) 12.905 9.409 ( -2.996 1.242 3.419) 4.712 9.541 ( -1.055 0.642 15.267) 15.317 9.555 ( -4.977 -1.547 25.867) 26.387 9.745 ( 0.110 3.928 24.810) 25.119 9.850 ( -1.302 -1.808 37.510) 37.576 10.230 ( -4.053 0.981 29.508) 29.802 10.301 ( -0.977 1.711 8.770) 8.988 10.363 ( 2.325 -6.706 17.243) 18.646 10.501 ( -1.520 -7.027 3.617) 8.048 10.572 ( 10.701 4.645 12.723) 17.261 10.733 ( 9.563 -5.482 11.868) 16.197 10.889 ( -7.746 10.468 24.337) 27.602 11.056 ( -9.699 -1.762 36.402) 37.714 11.154 ( -7.286 2.397 26.169) 27.270 11.196 ( -7.608 -2.845 17.441) 19.240 11.238 ( 0.848 -0.730 29.489) 29.510 11.274 ( 6.237 -1.447 17.065) 18.227 11.632 ( -1.512 6.415 9.410) 11.488 11.773 ( -6.767 -4.813 6.079) 10.291 11.902 ( 3.520 6.274 8.578) 11.195 12.066 ( 1.164 -6.639 7.514) 10.094 12.346 ( -0.805 2.039 3.601) 4.216 12.364 ( 1.059 1.256 5.091) 5.349 12.493 ( 1.800 2.198 6.894) 7.456 12.615 ( -3.315 -5.267 6.077) 8.698 12.730 ( -4.897 2.705 -1.666) 5.837 12.762 ( -1.719 0.231 -0.192) 1.745 12.811 ( -3.620 1.686 4.524) 6.035 12.847 ( -3.752 1.719 -2.505) 4.828 12.932 ( -2.968 0.985 5.624) 6.435 13.069 ( -4.258 -4.202 1.824) 6.254 13.240 ( -1.764 3.040 12.346) 12.837 13.334 ( -0.026 -3.467 8.582) 9.256 13.352 ( -6.905 -0.618 14.207) 15.808 13.398 ( -2.541 -3.349 4.654) 6.271 13.458 ( 1.371 1.375 20.604) 20.696 13.499 ( -0.231 -1.688 17.396) 17.480 13.655 ( 1.542 2.244 17.859) 18.065 13.695 ( -0.101 -0.905 14.733) 14.761 13.821 ( 0.394 5.196 10.175) 11.432 13.958 ( -1.945 -5.898 7.646) 9.850 14.494 ( 8.067 2.623 9.850) 12.999 14.565 ( 7.137 -2.353 1.849) 7.739 14.725 ( 3.038 0.830 -4.929) 5.849 14.802 ( 1.866 -4.521 -12.975) 13.866 15.049 ( 6.928 6.397 0.435) 9.440 15.137 ( 5.853 0.801 -5.507) 8.076 15.375 ( -1.718 0.059 11.232) 11.363 15.414 ( -1.942 -2.194 2.632) 3.939 15.710 ( 5.443 2.724 -2.125) 6.447 15.786 ( 2.278 -3.582 -4.125) 5.919 15.939 ( -7.443 5.430 0.060) 9.213 16.053 ( -8.172 -4.260 6.086) 11.044 16.859 ( 4.102 0.935 16.811) 17.330 16.880 ( 2.780 -0.299 15.750) 15.996 17.457 ( 6.271 4.175 -6.889) 10.208 17.575 ( 1.358 -5.665 -9.180) 10.872 17.853 ( 6.947 5.314 -4.087) 9.654 17.987 ( -0.744 -6.280 0.020) 6.324 18.786 ( -1.616 7.802 16.980) 18.756 18.959 ( -9.955 -6.605 11.438) 16.540 20.042 ( -1.038 4.661 -3.377) 5.849 20.117 ( -3.282 -0.983 -2.285) 4.118 20.142 ( -5.610 1.359 -2.841) 6.434 20.201 ( -6.987 -2.605 -3.817) 8.377 20.794 ( 5.672 1.384 -5.588) 8.082 20.873 ( 5.076 -4.486 -3.543) 7.645 21.044 ( 3.058 4.142 -12.915) 13.903 21.116 ( -0.411 -2.614 -15.513) 15.737 21.477 ( 0.385 5.175 -9.613) 10.924 21.643 ( -7.146 1.211 -6.007) 9.414 21.726 ( 0.098 -4.865 -15.466) 16.214 21.896 ( -6.910 -10.393 -11.420) 16.917 22.239 ( 0.101 6.400 -15.849) 17.092 22.284 ( -2.429 2.704 -15.722) 16.137 23.400 ( 19.340 5.277 -13.759) 24.314 23.569 ( 16.285 -10.069 -15.398) 24.570 24.045 ( -4.237 3.877 -17.929) 18.826 24.087 ( 2.154 0.002 -20.145) 20.259 24.229 ( -6.679 11.610 -17.762) 22.246 24.532 ( -11.530 -13.155 -21.147) 27.445 25.552 ( 0.887 5.148 -1.534) 5.445 25.642 ( -3.049 -2.666 -2.498) 4.759 26.750 ( 0.735 0.630 -7.364) 7.428 26.768 ( -0.215 -0.917 -7.386) 7.446 ======================= Grid point 94 (40/72) ======================= q-point: (-0.50 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -1.240 -0.313 -8.632) 8.726 2.992 ( 1.240 -0.313 -8.632) 8.726 4.346 ( -6.542 7.170 23.843) 25.743 4.346 ( 6.542 7.170 23.843) 25.743 4.599 ( -7.168 -11.118 14.035) 19.286 4.599 ( 7.168 -11.118 14.035) 19.286 5.017 ( -1.395 1.655 29.360) 29.440 5.017 ( 1.395 1.655 29.360) 29.440 5.303 ( -5.045 -0.688 27.381) 27.850 5.303 ( 5.045 -0.688 27.381) 27.850 5.655 ( -7.138 3.107 25.923) 27.066 5.655 ( 7.138 3.107 25.923) 27.066 5.799 ( -6.740 -0.826 33.979) 34.651 5.799 ( 6.740 -0.826 33.979) 34.651 6.000 ( -7.487 -0.144 13.738) 15.646 6.000 ( 7.487 -0.144 13.738) 15.646 6.222 ( -0.940 -0.036 24.710) 24.728 6.222 ( 0.940 -0.036 24.710) 24.728 6.634 ( -3.964 4.039 11.013) 12.382 6.634 ( 3.964 4.039 11.013) 12.382 6.943 ( -3.973 6.733 9.846) 12.572 6.943 ( 3.973 6.733 9.846) 12.572 7.150 ( -4.280 -9.066 6.204) 11.790 7.150 ( 4.280 -9.066 6.204) 11.790 7.438 ( -2.438 1.141 -0.010) 2.692 7.438 ( 2.438 1.141 -0.010) 2.692 7.697 ( -1.908 -4.779 12.789) 13.785 7.697 ( 1.908 -4.779 12.789) 13.785 8.799 ( -3.295 4.232 42.633) 42.969 8.799 ( 3.295 4.232 42.633) 42.969 8.981 ( -12.281 0.978 17.399) 21.319 8.981 ( 12.281 0.978 17.399) 21.319 9.025 ( -3.018 1.272 11.286) 11.752 9.025 ( 3.018 1.272 11.286) 11.752 9.351 ( -6.462 0.489 0.739) 6.522 9.351 ( 6.462 0.489 0.739) 6.522 9.491 ( -4.042 -3.194 29.143) 29.594 9.491 ( 4.042 -3.194 29.143) 29.594 9.757 ( -5.122 3.838 30.858) 31.514 9.757 ( 5.122 3.838 30.858) 31.514 10.240 ( -3.999 -8.256 18.483) 20.635 10.240 ( 3.999 -8.256 18.483) 20.635 10.533 ( -7.327 0.694 8.085) 10.933 10.533 ( 7.327 0.694 8.085) 10.933 10.663 ( -7.354 -1.712 19.390) 20.809 10.663 ( 7.354 -1.712 19.390) 20.809 10.954 ( -6.660 1.264 23.381) 24.344 10.954 ( 6.660 1.264 23.381) 24.344 11.016 ( -4.419 1.283 22.681) 23.143 11.016 ( 4.419 1.283 22.681) 23.143 11.330 ( -1.951 2.229 30.628) 30.771 11.330 ( 1.951 2.229 30.628) 30.771 11.649 ( -4.492 -0.460 8.736) 9.834 11.649 ( 4.492 -0.460 8.736) 9.834 12.019 ( -7.236 1.218 -0.256) 7.343 12.019 ( 7.236 1.218 -0.256) 7.343 12.348 ( -3.402 -0.673 3.158) 4.690 12.348 ( 3.402 -0.673 3.158) 4.690 12.544 ( -3.980 0.377 5.688) 6.953 12.544 ( 3.980 0.377 5.688) 6.953 12.708 ( -2.754 2.763 -0.287) 3.912 12.708 ( 2.754 2.763 -0.288) 3.912 12.781 ( -1.004 4.421 2.283) 5.076 12.781 ( 1.004 4.421 2.283) 5.076 12.989 ( -4.931 -8.329 4.611) 10.722 12.989 ( 4.931 -8.329 4.611) 10.722 13.239 ( -2.749 2.107 16.374) 16.737 13.239 ( 2.749 2.107 16.374) 16.737 13.363 ( -1.540 -3.210 3.569) 5.042 13.363 ( 1.540 -3.210 3.569) 5.042 13.490 ( -1.215 0.597 19.194) 19.242 13.490 ( 1.215 0.597 19.194) 19.242 13.675 ( -1.268 1.872 13.089) 13.282 13.675 ( 1.268 1.872 13.089) 13.282 13.888 ( -5.014 -2.373 16.113) 17.041 13.888 ( 5.014 -2.373 16.113) 17.041 14.604 ( -3.056 2.390 1.919) 4.328 14.604 ( 3.056 2.390 1.919) 4.328 14.774 ( -3.300 -3.780 3.002) 5.847 14.774 ( 3.300 -3.780 3.002) 5.847 15.175 ( -3.729 5.871 -8.919) 11.310 15.175 ( 3.729 5.871 -8.919) 11.310 15.371 ( -1.993 -3.378 4.083) 5.662 15.371 ( 1.993 -3.378 4.083) 5.662 15.798 ( -4.461 3.163 -3.719) 6.613 15.798 ( 4.461 3.163 -3.719) 6.613 15.906 ( -6.796 -3.089 1.622) 7.639 15.906 ( 6.796 -3.089 1.622) 7.639 16.904 ( -0.572 0.869 16.748) 16.780 16.904 ( 0.572 0.869 16.748) 16.780 17.546 ( -3.497 -1.725 -6.793) 7.833 17.546 ( 3.497 -1.725 -6.793) 7.833 17.963 ( -3.363 0.073 -2.738) 4.337 17.963 ( 3.363 0.073 -2.738) 4.337 18.807 ( -4.955 2.214 14.143) 15.149 18.807 ( 4.955 2.214 14.143) 15.149 20.051 ( -2.179 2.825 -1.094) 3.732 20.051 ( 2.179 2.825 -1.094) 3.732 20.119 ( -1.714 -2.367 -4.562) 5.418 20.119 ( 1.714 -2.367 -4.562) 5.418 20.879 ( -3.242 -4.008 -6.540) 8.328 20.879 ( 3.242 -4.008 -6.540) 8.328 21.103 ( -1.950 1.324 -11.464) 11.704 21.103 ( 1.950 1.324 -11.464) 11.704 21.527 ( -4.937 6.108 -7.177) 10.639 21.527 ( 4.937 6.108 -7.177) 10.639 21.773 ( -5.280 -9.719 -13.644) 17.564 21.773 ( 5.280 -9.719 -13.644) 17.564 22.249 ( -1.197 4.810 -15.954) 16.706 22.249 ( 1.197 4.810 -15.954) 16.706 23.701 ( -8.599 0.167 -14.267) 16.659 23.701 ( 8.599 0.167 -14.267) 16.659 23.988 ( -4.680 1.369 -19.387) 19.991 23.988 ( 4.680 1.369 -19.387) 19.991 24.317 ( -10.718 -2.087 -20.942) 23.618 24.317 ( 10.718 -2.087 -20.942) 23.618 25.586 ( -2.689 0.582 -1.487) 3.127 25.586 ( 2.689 0.582 -1.487) 3.127 26.762 ( -0.520 -0.152 -7.152) 7.172 26.762 ( 0.520 -0.152 -7.152) 7.172 ======================= Grid point 105 (41/72) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 0.000 0.000 -9.945) 9.945 2.853 ( 0.000 0.000 -12.524) 12.524 4.414 ( 0.000 0.000 17.790) 17.790 4.658 ( 0.000 0.000 -2.033) 2.033 4.905 ( 0.000 0.000 9.188) 9.188 4.976 ( 0.000 0.000 18.182) 18.182 5.237 ( 0.000 0.000 39.389) 39.389 5.590 ( 0.000 0.000 25.153) 25.153 5.748 ( 0.000 0.000 27.130) 27.130 5.823 ( 0.000 0.000 29.964) 29.964 5.893 ( 0.000 0.000 4.272) 4.272 6.281 ( 0.000 0.000 14.680) 14.680 6.324 ( 0.000 0.000 24.567) 24.567 6.435 ( 0.000 0.000 -1.779) 1.779 6.646 ( 0.000 0.000 17.823) 17.823 6.703 ( 0.000 0.000 22.246) 22.246 6.753 ( 0.000 0.000 23.900) 23.900 6.792 ( 0.000 0.000 11.011) 11.011 7.030 ( 0.000 0.000 12.899) 12.899 7.074 ( 0.000 0.000 25.367) 25.367 7.102 ( 0.000 0.000 17.653) 17.653 7.225 ( 0.000 0.000 13.334) 13.334 7.230 ( 0.000 0.000 4.179) 4.179 7.634 ( 0.000 0.000 3.187) 3.187 7.725 ( 0.000 0.000 15.990) 15.990 7.832 ( 0.000 0.000 2.643) 2.643 7.838 ( 0.000 0.000 13.602) 13.602 7.953 ( 0.000 0.000 7.591) 7.591 8.168 ( 0.000 0.000 4.814) 4.814 8.346 ( 0.000 0.000 2.861) 2.861 8.734 ( 0.000 0.000 5.477) 5.477 8.784 ( 0.000 0.000 -2.969) 2.969 9.248 ( 0.000 0.000 -8.853) 8.853 9.355 ( 0.000 0.000 -1.503) 1.503 9.532 ( 0.000 0.000 11.735) 11.735 9.699 ( 0.000 0.000 5.045) 5.045 9.719 ( 0.000 0.000 10.225) 10.225 10.051 ( 0.000 0.000 43.072) 43.072 10.359 ( 0.000 0.000 -2.388) 2.388 10.484 ( 0.000 0.000 13.603) 13.603 10.487 ( 0.000 0.000 14.289) 14.289 10.491 ( 0.000 0.000 -3.102) 3.102 10.584 ( 0.000 0.000 -5.145) 5.145 10.694 ( 0.000 0.000 51.940) 51.940 10.836 ( 0.000 0.000 -4.840) 4.840 11.055 ( 0.000 0.000 5.893) 5.893 11.145 ( 0.000 0.000 0.895) 0.895 11.152 ( 0.000 0.000 28.266) 28.266 11.211 ( 0.000 0.000 -4.712) 4.712 11.529 ( 0.000 0.000 -14.679) 14.679 11.581 ( 0.000 0.000 32.493) 32.493 11.995 ( 0.000 0.000 43.625) 43.625 12.165 ( 0.000 0.000 4.138) 4.138 12.205 ( 0.000 0.000 11.039) 11.039 12.281 ( 0.000 0.000 3.929) 3.929 12.332 ( 0.000 0.000 34.808) 34.808 12.527 ( 0.000 0.000 1.032) 1.032 12.551 ( 0.000 0.000 -14.468) 14.468 12.626 ( 0.000 0.000 2.741) 2.741 12.638 ( 0.000 0.000 -7.983) 7.983 12.643 ( 0.000 0.000 -10.604) 10.604 12.887 ( 0.000 0.000 23.805) 23.805 13.091 ( 0.000 0.000 14.193) 14.193 13.093 ( 0.000 0.000 10.282) 10.282 13.162 ( 0.000 0.000 -10.113) 10.113 13.183 ( 0.000 0.000 -13.281) 13.281 13.513 ( 0.000 0.000 -17.131) 17.131 13.599 ( 0.000 0.000 -17.062) 17.062 13.618 ( 0.000 0.000 25.560) 25.560 13.675 ( 0.000 0.000 43.955) 43.955 13.838 ( 0.000 0.000 18.658) 18.658 13.856 ( 0.000 0.000 10.244) 10.244 13.936 ( 0.000 0.000 8.149) 8.149 13.955 ( 0.000 0.000 22.420) 22.420 14.098 ( 0.000 0.000 8.110) 8.110 14.135 ( 0.000 0.000 23.611) 23.611 14.152 ( 0.000 0.000 27.810) 27.810 14.213 ( 0.000 0.000 12.899) 12.899 14.383 ( 0.000 0.000 14.094) 14.094 15.074 ( 0.000 0.000 5.437) 5.437 15.125 ( 0.000 0.000 18.071) 18.071 15.161 ( 0.000 0.000 8.793) 8.793 15.259 ( 0.000 0.000 -5.208) 5.208 15.484 ( 0.000 0.000 4.451) 4.451 15.993 ( 0.000 0.000 -1.583) 1.583 16.082 ( 0.000 0.000 16.169) 16.169 16.156 ( 0.000 0.000 42.010) 42.010 16.417 ( 0.000 0.000 -8.910) 8.910 16.947 ( 0.000 0.000 -0.325) 0.325 17.107 ( 0.000 0.000 6.041) 6.041 17.127 ( 0.000 0.000 20.212) 20.212 17.392 ( 0.000 0.000 15.404) 15.404 17.726 ( 0.000 0.000 0.083) 0.083 18.118 ( 0.000 0.000 -4.453) 4.453 19.212 ( 0.000 0.000 21.732) 21.732 19.345 ( 0.000 0.000 -5.123) 5.123 19.943 ( 0.000 0.000 -3.018) 3.018 19.993 ( 0.000 0.000 -9.607) 9.607 20.319 ( 0.000 0.000 -7.009) 7.009 20.509 ( 0.000 0.000 2.124) 2.124 20.553 ( 0.000 0.000 -1.270) 1.270 20.672 ( 0.000 0.000 -14.287) 14.287 20.677 ( 0.000 0.000 0.762) 0.762 20.706 ( 0.000 0.000 -12.680) 12.680 21.333 ( 0.000 0.000 -9.798) 9.798 21.464 ( 0.000 0.000 -9.795) 9.795 21.626 ( 0.000 0.000 6.878) 6.878 21.964 ( 0.000 0.000 -9.607) 9.607 22.098 ( 0.000 0.000 -9.763) 9.763 22.119 ( 0.000 0.000 -2.560) 2.560 22.726 ( 0.000 0.000 -8.377) 8.377 23.114 ( 0.000 0.000 -15.078) 15.078 23.247 ( 0.000 0.000 -14.499) 14.499 23.826 ( 0.000 0.000 -13.122) 13.122 24.069 ( 0.000 0.000 -15.145) 15.145 24.539 ( 0.000 0.000 -25.400) 25.400 25.327 ( 0.000 0.000 -6.776) 6.776 25.611 ( 0.000 0.000 -10.331) 10.331 26.493 ( 0.000 0.000 -14.002) 14.002 26.572 ( 0.000 0.000 -13.862) 13.862 ======================= Grid point 106 (42/72) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 2.864 0.000 -10.477) 10.861 2.845 ( -0.834 0.000 -12.319) 12.347 4.439 ( 2.500 0.000 15.328) 15.531 4.636 ( -2.171 0.000 0.213) 2.182 4.913 ( 1.483 0.000 6.446) 6.614 4.998 ( 2.053 0.000 16.179) 16.309 5.285 ( 4.041 0.000 34.785) 35.019 5.561 ( -3.126 0.000 24.657) 24.854 5.748 ( 0.103 0.000 26.190) 26.190 5.841 ( 1.723 0.000 28.895) 28.946 5.921 ( 2.811 0.000 4.053) 4.932 6.194 ( -8.217 0.000 11.903) 14.463 6.315 ( -1.002 0.000 25.316) 25.336 6.402 ( -3.308 0.000 2.558) 4.181 6.550 ( -8.114 0.000 23.036) 24.423 6.684 ( 2.126 0.000 25.589) 25.678 6.815 ( 0.780 0.000 7.539) 7.579 6.829 ( 3.640 0.000 22.929) 23.217 6.953 ( -6.297 0.000 18.794) 19.821 7.019 ( -5.273 0.000 29.544) 30.011 7.112 ( 1.129 0.000 19.679) 19.712 7.205 ( -2.388 0.000 6.667) 7.081 7.249 ( 1.495 0.000 10.737) 10.840 7.527 ( -6.309 0.000 9.780) 11.638 7.654 ( -8.406 0.000 9.110) 12.396 7.702 ( -7.508 0.000 8.130) 11.066 7.926 ( 3.028 0.000 5.245) 6.056 7.939 ( -0.547 0.000 9.119) 9.135 8.437 ( 18.875 0.000 1.586) 18.942 8.476 ( 16.835 0.000 0.962) 16.862 8.723 ( 0.592 0.000 1.913) 2.003 8.859 ( 6.715 0.000 -1.218) 6.825 9.232 ( -0.802 0.000 -7.315) 7.359 9.442 ( 6.238 0.000 -1.463) 6.408 9.473 ( -6.355 0.000 10.076) 11.913 9.733 ( 3.167 0.000 5.122) 6.022 9.751 ( 2.964 0.000 11.321) 11.703 10.129 ( 7.074 0.000 42.620) 43.203 10.221 ( -10.343 0.000 14.281) 17.634 10.388 ( 2.894 0.000 -1.052) 3.079 10.425 ( -10.280 0.000 4.968) 11.417 10.548 ( 1.759 0.000 2.170) 2.794 10.642 ( 1.984 0.000 6.115) 6.429 10.733 ( 2.763 0.000 37.267) 37.370 10.824 ( -1.533 0.000 -3.245) 3.589 10.933 ( -7.479 0.000 8.811) 11.558 11.157 ( 1.721 0.000 16.177) 16.268 11.205 ( 2.029 0.000 -8.898) 9.127 11.272 ( 6.700 0.000 4.282) 7.952 11.609 ( 5.438 0.000 -4.619) 7.135 11.715 ( 10.881 0.000 28.851) 30.835 11.977 ( -2.109 0.000 36.602) 36.663 12.037 ( -18.648 0.000 13.004) 22.735 12.171 ( 1.716 0.000 6.071) 6.309 12.174 ( -10.692 0.000 33.156) 34.837 12.323 ( 4.001 0.000 13.767) 14.336 12.509 ( -10.759 0.000 -0.431) 10.767 12.511 ( -2.038 0.000 -0.026) 2.038 12.531 ( -5.535 0.000 -15.542) 16.498 12.600 ( -3.600 0.000 -10.345) 10.953 12.647 ( 3.325 0.000 -2.266) 4.024 12.809 ( -2.536 0.000 6.902) 7.353 13.037 ( -5.252 0.000 8.698) 10.160 13.140 ( -0.845 0.000 -6.276) 6.332 13.147 ( 0.532 0.000 26.145) 26.151 13.291 ( 8.020 0.000 -2.523) 8.408 13.548 ( -4.077 0.000 18.601) 19.042 13.548 ( -6.809 0.000 6.906) 9.698 13.602 ( 2.121 0.000 18.739) 18.859 13.663 ( 5.026 0.000 3.415) 6.077 13.795 ( -3.052 0.000 -0.094) 3.053 13.815 ( -3.151 0.000 22.167) 22.389 13.857 ( -5.813 0.000 9.195) 10.878 14.050 ( 8.890 0.000 27.546) 28.945 14.077 ( -4.216 0.000 22.821) 23.207 14.172 ( 1.157 0.000 24.840) 24.867 14.252 ( 12.192 0.000 3.196) 12.604 14.369 ( 13.988 0.000 10.439) 17.454 14.475 ( 7.579 0.000 8.330) 11.261 15.069 ( -0.613 0.000 -0.805) 1.012 15.089 ( -1.412 0.000 23.486) 23.529 15.094 ( -4.673 0.000 6.935) 8.363 15.360 ( 7.868 0.000 -3.232) 8.506 15.519 ( 1.859 0.000 4.172) 4.568 15.941 ( -9.686 0.000 15.677) 18.428 15.958 ( -3.310 0.000 3.195) 4.600 16.209 ( 0.518 0.000 39.234) 39.237 16.301 ( -10.502 0.000 -9.775) 14.347 16.943 ( 2.850 0.000 6.563) 7.155 17.157 ( 2.706 0.000 18.199) 18.399 17.299 ( 14.009 0.000 3.498) 14.439 17.452 ( 7.131 0.000 10.092) 12.357 17.690 ( -3.423 0.000 0.187) 3.428 18.097 ( -2.246 0.000 -4.131) 4.702 19.173 ( -3.918 0.000 20.856) 21.221 19.296 ( -5.127 0.000 -2.197) 5.578 19.922 ( -0.637 0.000 -3.920) 3.972 20.021 ( 0.945 0.000 -7.610) 7.669 20.248 ( -6.656 0.000 -3.928) 7.729 20.362 ( -11.513 0.000 -1.533) 11.614 20.605 ( 1.002 0.000 -0.977) 1.399 20.637 ( 1.607 0.000 -14.144) 14.235 20.737 ( 8.600 0.000 0.326) 8.606 20.829 ( 7.531 0.000 -11.453) 13.707 21.304 ( -2.850 0.000 -9.458) 9.878 21.541 ( 5.440 0.000 -12.543) 13.672 21.592 ( -3.429 0.000 7.090) 7.875 21.915 ( -3.975 0.000 -8.402) 9.294 22.050 ( -4.505 0.000 -8.350) 9.488 22.067 ( -5.439 0.000 -2.200) 5.867 22.829 ( 10.918 0.000 -9.274) 14.325 23.239 ( 12.432 0.000 -16.487) 20.649 23.315 ( 6.807 0.000 -14.551) 16.065 23.801 ( -2.856 0.000 -13.318) 13.621 23.998 ( -7.379 0.000 -14.990) 16.707 24.450 ( -9.311 0.000 -24.802) 26.493 25.349 ( 2.257 0.000 -7.084) 7.435 25.596 ( -1.684 0.000 -10.274) 10.411 26.506 ( 1.286 0.000 -13.805) 13.865 26.573 ( 0.023 0.000 -13.707) 13.707 ======================= Grid point 107 (43/72) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 3.468 0.000 -11.319) 11.839 2.823 ( -1.551 0.000 -11.959) 12.060 4.495 ( 3.259 0.000 9.466) 10.011 4.592 ( -2.323 0.000 1.961) 3.040 4.964 ( 3.619 0.000 3.303) 4.900 5.033 ( 1.094 0.000 10.975) 11.029 5.352 ( 3.036 0.000 26.477) 26.651 5.486 ( -4.598 0.000 22.738) 23.198 5.761 ( 1.640 0.000 24.740) 24.794 5.864 ( -0.397 0.000 24.872) 24.875 5.978 ( 2.753 0.000 3.908) 4.780 6.050 ( -5.499 0.000 12.227) 13.407 6.283 ( -2.319 0.000 20.680) 20.809 6.326 ( -4.592 0.000 7.041) 8.406 6.465 ( 0.042 0.000 36.267) 36.267 6.698 ( -10.180 0.000 21.848) 24.103 6.751 ( 4.829 0.000 31.756) 32.121 6.882 ( 2.578 0.000 22.937) 23.081 6.918 ( -3.455 0.000 29.585) 29.786 6.947 ( 0.794 0.000 25.510) 25.522 7.135 ( 0.835 0.000 21.909) 21.925 7.154 ( -2.459 0.000 10.254) 10.545 7.266 ( 1.196 0.000 6.009) 6.127 7.441 ( -4.422 0.000 5.895) 7.369 7.496 ( -6.444 0.000 11.707) 13.363 7.575 ( -6.109 0.000 6.325) 8.793 7.908 ( -1.675 0.000 6.006) 6.235 7.939 ( -1.393 0.000 2.995) 3.303 8.725 ( 15.018 0.000 -2.164) 15.173 8.781 ( 5.702 0.000 -1.086) 5.805 8.885 ( 17.423 0.000 -6.610) 18.635 9.001 ( 7.214 0.000 -6.233) 9.534 9.235 ( 4.725 0.000 1.648) 5.004 9.322 ( -8.411 0.000 9.034) 12.344 9.457 ( -5.888 0.000 3.481) 6.840 9.757 ( -3.476 0.000 7.771) 8.513 9.843 ( 8.340 0.000 12.000) 14.613 10.199 ( -6.546 0.000 8.145) 10.450 10.214 ( 8.254 0.000 13.488) 15.813 10.262 ( 0.075 0.000 36.675) 36.675 10.443 ( 1.915 0.000 -4.751) 5.122 10.581 ( -0.033 0.000 14.219) 14.219 10.625 ( -1.896 0.000 8.118) 8.337 10.732 ( -4.529 0.000 16.576) 17.183 10.818 ( 3.365 0.000 1.825) 3.828 10.878 ( 3.584 0.000 2.368) 4.296 11.175 ( -1.713 0.000 4.169) 4.507 11.204 ( -3.106 0.000 -11.283) 11.703 11.435 ( 10.164 0.000 6.834) 12.247 11.653 ( -13.880 0.000 4.595) 14.621 11.663 ( 1.482 0.000 6.580) 6.745 11.843 ( -4.099 0.000 26.456) 26.772 11.906 ( -5.845 0.000 26.568) 27.204 12.037 ( -6.360 0.000 34.302) 34.886 12.236 ( 4.511 0.000 9.569) 10.580 12.262 ( -7.109 0.000 5.025) 8.706 12.407 ( 4.141 0.000 22.311) 22.692 12.469 ( -3.116 0.000 -8.469) 9.024 12.475 ( -1.156 0.000 0.731) 1.368 12.525 ( -3.550 0.000 -4.863) 6.021 12.745 ( 4.623 0.000 -2.325) 5.175 12.791 ( -1.148 0.000 4.414) 4.561 12.922 ( -3.023 0.000 16.843) 17.112 13.113 ( -3.233 0.000 31.259) 31.426 13.159 ( 2.783 0.000 2.884) 4.008 13.381 ( -9.337 0.000 11.645) 14.927 13.423 ( 6.063 0.000 -0.939) 6.135 13.531 ( 0.951 0.000 15.858) 15.887 13.586 ( -3.533 0.000 14.672) 15.091 13.660 ( -4.607 0.000 12.356) 13.187 13.750 ( -2.517 0.000 19.991) 20.149 13.751 ( -3.352 0.000 7.029) 7.787 13.896 ( 9.092 0.000 -0.879) 9.134 14.028 ( -0.373 0.000 13.770) 13.775 14.163 ( -2.286 0.000 24.108) 24.216 14.170 ( 1.303 0.000 28.357) 28.387 14.463 ( 10.649 0.000 -4.334) 11.497 14.592 ( 4.000 0.000 1.384) 4.233 14.658 ( 15.687 0.000 13.050) 20.406 15.052 ( -3.602 0.000 17.180) 17.553 15.069 ( 2.384 0.000 6.743) 7.152 15.085 ( 1.992 0.000 8.172) 8.412 15.471 ( 2.497 0.000 -4.348) 5.014 15.515 ( -2.036 0.000 -0.645) 2.136 15.819 ( -0.976 0.000 6.147) 6.225 15.907 ( -0.822 0.000 14.912) 14.935 16.097 ( -10.920 0.000 -7.831) 13.438 16.139 ( -7.763 0.000 36.189) 37.013 17.041 ( 6.651 0.000 9.799) 11.843 17.192 ( 0.216 0.000 14.819) 14.820 17.480 ( 6.517 0.000 8.108) 10.402 17.628 ( -2.889 0.000 1.600) 3.302 17.679 ( 14.947 0.000 -1.324) 15.005 18.036 ( -4.600 0.000 -3.394) 5.716 19.095 ( -3.673 0.000 19.002) 19.354 19.174 ( -7.258 0.000 6.011) 9.424 19.937 ( 2.253 0.000 -3.021) 3.769 20.017 ( -0.510 0.000 -6.812) 6.831 20.120 ( -6.721 0.000 -1.502) 6.887 20.145 ( -10.004 0.000 -2.771) 10.380 20.678 ( 6.193 0.000 -5.697) 8.415 20.732 ( 7.230 0.000 -12.560) 14.492 20.876 ( 4.870 0.000 -3.373) 5.924 20.913 ( 0.117 0.000 -10.301) 10.302 21.270 ( 0.877 0.000 -5.665) 5.733 21.484 ( -7.042 0.000 2.316) 7.413 21.632 ( 4.047 0.000 -9.344) 10.183 21.850 ( -3.865 0.000 -8.431) 9.275 21.946 ( -5.929 0.000 -1.030) 6.018 21.968 ( -3.781 0.000 -6.251) 7.305 23.098 ( 17.296 0.000 -11.150) 20.579 23.469 ( 9.306 0.000 -14.661) 17.365 23.504 ( 12.795 0.000 -17.999) 22.084 23.722 ( -4.316 0.000 -14.625) 15.249 23.824 ( -10.194 0.000 -14.642) 17.841 24.217 ( -15.468 0.000 -23.360) 28.017 25.405 ( 3.698 0.000 -7.864) 8.690 25.549 ( -3.361 0.000 -9.808) 10.367 26.534 ( 1.601 0.000 -13.441) 13.536 26.571 ( -0.315 0.000 -13.405) 13.408 ======================= Grid point 108 (44/72) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -2.512 0.000 -11.716) 11.982 2.786 ( 2.512 0.000 -11.716) 11.982 4.549 ( -2.581 0.000 4.104) 4.849 4.549 ( 2.581 0.000 4.104) 4.849 5.023 ( -2.200 0.000 5.254) 5.696 5.023 ( 2.200 0.000 5.254) 5.696 5.409 ( -3.560 0.000 21.830) 22.118 5.409 ( 3.560 0.000 21.830) 22.118 5.813 ( -3.762 0.000 22.640) 22.950 5.813 ( 3.762 0.000 22.640) 22.950 6.008 ( -0.762 0.000 9.283) 9.315 6.008 ( 0.762 0.000 9.283) 9.315 6.264 ( -1.218 0.000 13.991) 14.044 6.264 ( 1.218 0.000 13.991) 14.044 6.538 ( -6.910 0.000 37.228) 37.864 6.538 ( 6.910 0.000 37.228) 37.864 6.837 ( -4.334 0.000 34.019) 34.294 6.837 ( 4.334 0.000 34.019) 34.294 6.938 ( -2.956 0.000 23.963) 24.145 6.938 ( 2.956 0.000 23.963) 24.145 7.134 ( -0.226 0.000 16.407) 16.409 7.134 ( 0.226 0.000 16.407) 16.409 7.328 ( -5.637 0.000 5.222) 7.684 7.328 ( 5.637 0.000 5.222) 7.684 7.485 ( -3.245 0.000 7.117) 7.822 7.485 ( 3.245 0.000 7.117) 7.822 7.905 ( -1.368 0.000 3.807) 4.045 7.905 ( 1.368 0.000 3.807) 4.045 8.904 ( -4.974 0.000 -6.664) 8.316 8.904 ( 4.974 0.000 -6.664) 8.316 8.984 ( -8.477 0.000 -7.225) 11.138 8.984 ( 8.477 0.000 -7.225) 11.138 9.307 ( -7.211 0.000 5.243) 8.916 9.307 ( 7.211 0.000 5.243) 8.916 9.534 ( -19.399 0.000 12.217) 22.926 9.534 ( 19.399 0.000 12.217) 22.926 10.028 ( -10.720 0.000 9.456) 14.294 10.028 ( 10.720 0.000 9.456) 14.294 10.305 ( -2.488 0.000 18.528) 18.695 10.305 ( 2.488 0.000 18.528) 18.695 10.515 ( -8.073 0.000 5.043) 9.519 10.515 ( 8.073 0.000 5.043) 9.519 10.632 ( -3.064 0.000 15.982) 16.273 10.632 ( 3.064 0.000 15.982) 16.273 10.942 ( -4.625 0.000 -0.793) 4.692 10.942 ( 4.625 0.000 -0.793) 4.692 11.106 ( -0.834 0.000 -2.545) 2.679 11.106 ( 0.834 0.000 -2.545) 2.679 11.557 ( -1.494 0.000 -3.010) 3.360 11.557 ( 1.494 0.000 -3.010) 3.360 11.761 ( -6.468 0.000 16.027) 17.283 11.761 ( 6.468 0.000 16.026) 17.282 11.829 ( -4.863 0.000 27.451) 27.879 11.829 ( 4.863 0.000 27.452) 27.879 12.288 ( -0.895 0.000 20.478) 20.498 12.288 ( 0.895 0.000 20.478) 20.498 12.431 ( -0.206 0.000 2.226) 2.235 12.431 ( 0.206 0.000 2.226) 2.235 12.481 ( -1.611 0.000 3.830) 4.155 12.481 ( 1.611 0.000 3.830) 4.155 12.758 ( -1.228 0.000 5.291) 5.431 12.758 ( 1.228 0.000 5.291) 5.431 13.019 ( -7.741 0.000 25.651) 26.794 13.019 ( 7.741 0.000 25.651) 26.794 13.235 ( -5.873 0.000 6.699) 8.909 13.235 ( 5.873 0.000 6.698) 8.909 13.535 ( -4.995 0.000 5.807) 7.660 13.535 ( 4.995 0.000 5.807) 7.660 13.542 ( -2.865 0.000 10.168) 10.564 13.542 ( 2.865 0.000 10.168) 10.564 13.733 ( -0.092 0.000 17.068) 17.068 13.733 ( 0.092 0.000 17.068) 17.068 14.031 ( -3.631 0.000 2.324) 4.310 14.031 ( 3.631 0.000 2.324) 4.310 14.129 ( -1.982 0.000 26.441) 26.515 14.129 ( 1.982 0.000 26.441) 26.515 14.600 ( -3.464 0.000 -1.215) 3.671 14.600 ( 3.464 0.000 -1.215) 3.671 14.913 ( -11.481 0.000 18.679) 21.925 14.913 ( 11.481 0.000 18.679) 21.925 15.114 ( -0.375 0.000 5.586) 5.599 15.114 ( 0.375 0.000 5.586) 5.599 15.479 ( -0.833 0.000 -4.458) 4.535 15.479 ( 0.833 0.000 -4.458) 4.535 15.912 ( -8.845 0.000 -2.284) 9.135 15.912 ( 8.845 0.000 -2.284) 9.135 15.974 ( -8.024 0.000 26.907) 28.078 15.974 ( 8.024 0.000 26.907) 28.078 17.150 ( -4.583 0.000 12.117) 12.955 17.150 ( 4.583 0.000 12.117) 12.955 17.573 ( -3.745 0.000 4.488) 5.845 17.573 ( 3.745 0.000 4.488) 5.845 17.912 ( -9.619 0.000 -2.754) 10.005 17.912 ( 9.619 0.000 -2.754) 10.005 19.076 ( -2.372 0.000 14.708) 14.898 19.076 ( 2.372 0.000 14.708) 14.898 20.003 ( -5.049 0.000 -2.102) 5.469 20.003 ( 5.049 0.000 -2.102) 5.469 20.035 ( -3.029 0.000 -5.025) 5.867 20.035 ( 3.029 0.000 -5.025) 5.867 20.795 ( -4.446 0.000 -10.813) 11.692 20.795 ( 4.446 0.000 -10.813) 11.692 20.891 ( -1.762 0.000 -6.968) 7.188 20.891 ( 1.762 0.000 -6.968) 7.188 21.350 ( -6.769 0.000 -0.867) 6.824 21.350 ( 6.769 0.000 -0.867) 6.824 21.732 ( -7.159 0.000 -6.609) 9.743 21.732 ( 7.159 0.000 -6.609) 9.743 21.918 ( -1.560 0.000 -4.638) 4.893 21.918 ( 1.560 0.000 -4.638) 4.893 23.416 ( -15.847 0.000 -12.892) 20.428 23.416 ( 15.847 0.000 -12.892) 20.428 23.639 ( -8.948 0.000 -14.842) 17.330 23.639 ( 8.948 0.000 -14.842) 17.330 23.909 ( -17.169 0.000 -21.164) 27.252 23.909 ( 17.169 0.000 -21.164) 27.252 25.478 ( -4.123 0.000 -8.877) 9.788 25.478 ( 4.123 0.000 -8.877) 9.788 26.559 ( -1.028 0.000 -13.265) 13.304 26.559 ( 1.028 0.000 -13.265) 13.304 ======================= Grid point 112 (45/72) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 0.000 4.357 -10.477) 11.347 2.798 ( 0.000 -4.538 -11.755) 12.600 4.450 ( 0.000 3.485 14.515) 14.928 4.565 ( 0.000 -6.539 5.281) 8.405 4.920 ( 0.000 0.923 13.342) 13.373 4.937 ( 0.000 -1.069 21.547) 21.573 5.451 ( 0.000 13.200 26.830) 29.901 5.604 ( 0.000 -0.306 22.996) 22.998 5.749 ( 0.000 -0.017 26.871) 26.871 5.776 ( 0.000 -2.721 22.021) 22.189 5.927 ( 0.000 2.672 16.533) 16.748 6.084 ( 0.000 -12.100 18.564) 22.159 6.343 ( 0.000 0.620 16.228) 16.240 6.373 ( 0.000 -2.845 8.690) 9.144 6.674 ( 0.000 1.685 20.129) 20.199 6.716 ( 0.000 -1.961 19.523) 19.621 6.775 ( 0.000 4.012 10.495) 11.236 6.815 ( 0.000 -0.298 15.773) 15.776 7.005 ( 0.000 -1.669 24.220) 24.278 7.017 ( 0.000 -1.459 16.132) 16.198 7.211 ( 0.000 5.575 15.288) 16.273 7.256 ( 0.000 3.127 5.645) 6.453 7.406 ( 0.000 11.455 12.219) 16.749 7.586 ( 0.000 -1.005 6.440) 6.518 7.639 ( 0.000 -7.735 14.045) 16.034 7.704 ( 0.000 -9.647 3.744) 10.348 7.883 ( 0.000 2.858 10.475) 10.858 7.934 ( 0.000 -1.752 8.201) 8.386 8.194 ( 0.000 2.702 5.118) 5.787 8.281 ( 0.000 -4.695 3.939) 6.129 8.772 ( 0.000 2.495 3.749) 4.504 8.799 ( 0.000 0.307 -0.112) 0.327 9.266 ( 0.000 1.688 -6.136) 6.364 9.316 ( 0.000 -2.666 -1.989) 3.326 9.567 ( 0.000 2.355 8.759) 9.070 9.618 ( 0.000 -2.699 7.460) 7.933 9.872 ( 0.000 8.836 6.996) 11.270 10.049 ( 0.000 -4.079 22.763) 23.126 10.308 ( 0.000 -1.068 24.087) 24.110 10.420 ( 0.000 2.961 10.429) 10.841 10.432 ( 0.000 -6.588 18.048) 19.213 10.516 ( 0.000 -5.382 31.433) 31.890 10.679 ( 0.000 9.935 13.658) 16.889 10.736 ( 0.000 4.917 -4.148) 6.433 10.818 ( 0.000 -0.034 -6.903) 6.903 11.003 ( 0.000 -11.834 4.450) 12.643 11.111 ( 0.000 5.018 6.631) 8.316 11.214 ( 0.000 -2.877 2.892) 4.080 11.266 ( 0.000 6.032 16.744) 17.798 11.365 ( 0.000 -4.814 -5.134) 7.038 11.747 ( 0.000 8.004 25.741) 26.957 11.953 ( 0.000 -9.476 20.055) 22.181 12.143 ( 0.000 4.905 29.098) 29.508 12.207 ( 0.000 3.432 3.254) 4.730 12.279 ( 0.000 -4.852 21.500) 22.041 12.285 ( 0.000 -2.441 -0.282) 2.457 12.510 ( 0.000 -0.562 13.141) 13.153 12.524 ( 0.000 -1.532 6.860) 7.030 12.607 ( 0.000 0.237 -5.904) 5.909 12.623 ( 0.000 -1.059 -8.723) 8.787 12.818 ( 0.000 9.405 -11.893) 15.162 12.959 ( 0.000 -5.412 1.990) 5.766 12.961 ( 0.000 7.802 28.024) 29.089 13.135 ( 0.000 1.022 -9.484) 9.539 13.172 ( 0.000 -1.017 -12.123) 12.166 13.194 ( 0.000 -6.088 29.058) 29.689 13.468 ( 0.000 -3.831 -6.936) 7.924 13.499 ( 0.000 -4.372 2.048) 4.828 13.574 ( 0.000 3.517 8.085) 8.817 13.654 ( 0.000 -1.395 3.460) 3.730 13.863 ( 0.000 1.173 9.691) 9.762 13.899 ( 0.000 -1.188 9.130) 9.207 13.964 ( 0.000 1.174 21.503) 21.535 13.964 ( 0.000 1.259 21.452) 21.489 14.080 ( 0.000 0.560 19.940) 19.948 14.114 ( 0.000 -1.696 22.790) 22.853 14.183 ( 0.000 1.481 20.712) 20.765 14.207 ( 0.000 -0.668 16.065) 16.079 14.549 ( 0.000 13.362 18.981) 23.213 14.872 ( 0.000 -14.977 21.489) 26.193 15.086 ( 0.000 -0.917 0.675) 1.139 15.095 ( 0.000 -2.150 3.108) 3.779 15.430 ( 0.000 10.766 -0.898) 10.803 15.593 ( 0.000 0.173 4.734) 4.737 15.956 ( 0.000 3.112 8.214) 8.784 16.101 ( 0.000 -5.460 34.910) 35.334 16.156 ( 0.000 4.664 10.334) 11.338 16.297 ( 0.000 -8.425 -6.254) 10.493 16.982 ( 0.000 3.816 7.672) 8.569 17.075 ( 0.000 -3.462 8.618) 9.288 17.241 ( 0.000 7.597 14.183) 16.089 17.367 ( 0.000 -3.105 13.822) 14.167 17.783 ( 0.000 6.372 -2.011) 6.682 17.988 ( 0.000 -10.263 -4.217) 11.095 19.247 ( 0.000 2.848 17.187) 17.421 19.313 ( 0.000 -2.671 4.574) 5.297 19.970 ( 0.000 1.811 -6.486) 6.734 19.994 ( 0.000 -0.256 -9.184) 9.187 20.351 ( 0.000 3.040 -6.366) 7.055 20.452 ( 0.000 -6.026 -4.506) 7.524 20.541 ( 0.000 2.797 3.223) 4.267 20.613 ( 0.000 -3.302 3.518) 4.825 20.713 ( 0.000 3.259 -15.426) 15.767 20.767 ( 0.000 -0.132 -15.612) 15.613 21.392 ( 0.000 5.021 -8.068) 9.503 21.461 ( 0.000 -0.837 -9.523) 9.560 21.705 ( 0.000 7.095 0.916) 7.153 21.934 ( 0.000 -12.022 -6.306) 13.576 21.999 ( 0.000 3.360 -6.667) 7.466 22.087 ( 0.000 -3.689 -3.914) 5.378 22.761 ( 0.000 3.308 -9.044) 9.630 22.883 ( 0.000 -8.678 -11.161) 14.137 23.586 ( 0.000 16.150 -16.672) 23.211 23.796 ( 0.000 -3.775 -14.161) 14.655 24.114 ( 0.000 5.423 -16.369) 17.244 24.346 ( 0.000 -13.920 -21.627) 25.719 25.436 ( 0.000 7.320 -9.113) 11.689 25.567 ( 0.000 -4.137 -10.277) 11.078 26.511 ( 0.000 1.588 -13.917) 14.008 26.551 ( 0.000 -1.736 -13.852) 13.960 ======================= Grid point 113 (46/72) ======================= q-point: ( 0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 1.920 3.575 -10.797) 11.534 2.799 ( 0.069 -3.787 -11.701) 12.299 4.476 ( 2.699 3.593 12.061) 12.871 4.583 ( 1.577 -5.080 3.123) 6.168 4.880 ( -1.985 1.166 17.425) 17.576 4.953 ( 0.184 -3.885 15.240) 15.729 5.473 ( 1.611 11.729 25.599) 28.204 5.596 ( -1.326 1.258 21.861) 21.938 5.753 ( 0.639 0.474 26.079) 26.091 5.797 ( 2.028 -3.246 21.748) 22.082 5.944 ( 1.746 2.190 14.986) 15.245 6.073 ( -1.442 -9.276 15.726) 18.315 6.290 ( -3.870 0.142 18.028) 18.439 6.328 ( -3.944 -3.297 12.705) 13.705 6.652 ( -5.636 5.178 15.696) 17.462 6.696 ( 1.113 0.609 23.247) 23.282 6.797 ( 2.746 -1.250 12.988) 13.333 6.813 ( -1.178 -2.181 14.296) 14.509 6.943 ( -4.636 -0.037 25.537) 25.955 6.970 ( -4.595 -2.229 28.103) 28.563 7.213 ( 0.035 6.168 15.592) 16.768 7.257 ( -0.017 4.455 6.410) 7.806 7.389 ( -3.709 8.174 12.723) 15.571 7.484 ( -5.303 -0.987 9.743) 11.137 7.544 ( -8.688 -6.875 10.933) 15.566 7.642 ( -4.374 -7.741 5.920) 10.682 7.920 ( -0.137 0.547 7.667) 7.688 7.936 ( -0.272 -0.479 7.869) 7.889 8.427 ( 18.999 -0.539 1.866) 19.098 8.438 ( 17.752 -1.844 1.689) 17.927 8.784 ( 2.180 4.067 1.421) 4.828 8.849 ( 4.790 -1.457 -0.436) 5.026 9.270 ( 0.889 3.168 -5.419) 6.339 9.357 ( 2.840 -4.602 -0.966) 5.493 9.544 ( -2.990 3.993 7.788) 9.249 9.637 ( 0.667 -4.445 7.724) 8.936 9.896 ( 3.024 8.514 8.852) 12.649 10.087 ( 3.399 -7.056 16.257) 18.045 10.262 ( -3.968 5.020 28.991) 29.688 10.398 ( 0.498 -2.928 22.533) 22.728 10.477 ( -3.375 6.105 14.791) 16.353 10.499 ( -3.531 2.331 -1.066) 4.363 10.596 ( 4.082 -6.066 15.532) 17.167 10.686 ( -3.616 -6.534 11.858) 14.014 10.831 ( -2.196 3.919 -3.481) 5.683 10.918 ( -4.305 -2.261 3.457) 5.967 11.146 ( 0.732 1.790 3.768) 4.235 11.216 ( 0.463 -3.302 1.267) 3.567 11.343 ( 6.739 7.494 9.140) 13.606 11.512 ( 10.634 -7.234 3.684) 13.378 11.780 ( 2.682 5.431 26.408) 27.093 11.923 ( -4.169 -6.090 21.717) 22.937 12.106 ( -13.119 3.378 9.616) 16.613 12.140 ( -1.708 0.939 27.168) 27.238 12.223 ( 1.561 3.419 10.962) 11.588 12.278 ( -3.618 -2.422 10.330) 11.210 12.465 ( -3.176 -1.438 1.777) 3.913 12.497 ( -0.120 -2.904 -1.932) 3.490 12.591 ( -2.983 0.144 -4.920) 5.756 12.603 ( -1.706 -0.447 -1.580) 2.367 12.767 ( -6.014 13.674 -2.543) 15.153 12.867 ( -3.920 4.697 12.600) 14.007 12.977 ( -0.523 -5.530 9.721) 11.196 13.066 ( -5.963 -8.727 6.887) 12.615 13.136 ( -0.130 2.525 4.004) 4.735 13.252 ( 1.783 -7.269 7.775) 10.792 13.449 ( -1.010 0.487 1.860) 2.172 13.509 ( -0.127 -3.795 15.609) 16.064 13.634 ( 2.738 2.565 10.706) 11.345 13.678 ( 0.983 -0.683 10.180) 10.250 13.804 ( -3.113 0.993 2.346) 4.022 13.811 ( -4.169 0.418 2.709) 4.989 13.929 ( -2.992 3.111 20.549) 20.997 13.980 ( 0.236 -2.416 22.232) 22.364 14.137 ( 2.077 0.803 22.405) 22.515 14.151 ( 2.958 -0.906 25.807) 25.992 14.284 ( 10.374 2.295 7.407) 12.952 14.336 ( 11.226 -2.263 8.689) 14.375 14.616 ( 7.444 11.079 16.617) 21.314 14.878 ( 1.784 -12.084 19.476) 22.989 15.090 ( 1.833 2.016 1.417) 3.071 15.139 ( 1.567 -1.379 7.496) 7.781 15.412 ( 0.281 6.859 -3.305) 7.619 15.577 ( -2.123 -3.835 3.246) 5.454 15.880 ( -6.327 6.573 7.142) 11.586 16.100 ( -2.540 -4.022 22.267) 22.769 16.114 ( -4.567 0.948 13.128) 13.932 16.231 ( -5.668 -4.944 5.807) 9.502 17.013 ( 4.006 5.572 8.768) 11.134 17.130 ( 4.431 -3.790 13.011) 14.258 17.331 ( 7.974 3.659 8.446) 12.179 17.420 ( 5.318 -3.266 9.993) 11.782 17.770 ( -0.627 7.597 -1.811) 7.835 17.977 ( -0.988 -9.604 -3.700) 10.339 19.210 ( -3.743 2.989 16.601) 17.278 19.273 ( -4.175 -2.221 5.540) 7.284 19.955 ( -0.762 2.507 -6.284) 6.809 20.003 ( 0.089 -1.611 -7.862) 8.026 20.264 ( -7.469 1.516 -3.105) 8.229 20.315 ( -9.715 -3.067 -1.783) 10.343 20.635 ( 4.536 2.744 -1.833) 5.609 20.692 ( 1.291 0.343 -8.859) 8.959 20.719 ( 6.691 1.710 -5.626) 8.908 20.803 ( 4.255 -3.041 -12.622) 13.662 21.339 ( -3.148 4.522 -7.212) 9.076 21.473 ( -0.348 -5.983 -10.123) 11.764 21.690 ( -2.214 7.630 1.437) 8.073 21.860 ( -4.812 -6.555 -3.326) 8.785 22.016 ( -0.788 1.557 -6.935) 7.151 22.072 ( -1.748 -1.939 -6.552) 7.053 22.867 ( 11.236 3.674 -9.963) 15.460 23.001 ( 12.007 -9.126 -12.268) 19.441 23.624 ( 3.875 13.513 -16.924) 22.001 23.784 ( -1.518 -2.375 -14.244) 14.520 24.044 ( -7.362 5.641 -16.342) 18.791 24.276 ( -7.352 -13.124 -21.677) 26.385 25.439 ( 0.365 6.296 -8.932) 10.934 25.555 ( -1.261 -3.791 -10.132) 10.891 26.521 ( 0.975 1.334 -13.735) 13.834 26.555 ( 0.339 -1.477 -13.689) 13.773 ======================= Grid point 114 (47/72) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 2.219 1.820 -11.310) 11.669 2.798 ( -0.284 -2.044 -11.613) 11.795 4.536 ( 3.385 3.600 6.244) 7.963 4.604 ( 0.257 -0.760 0.015) 0.803 4.873 ( 1.307 -2.380 15.126) 15.367 4.943 ( -1.189 -6.420 12.411) 14.023 5.485 ( -0.175 7.627 21.856) 23.149 5.548 ( -3.587 2.559 19.812) 20.296 5.777 ( 1.843 1.265 24.861) 24.961 5.827 ( 0.525 -3.107 21.745) 21.972 5.986 ( 2.514 1.655 11.516) 11.903 6.042 ( -1.237 -1.734 8.670) 8.928 6.246 ( -1.340 -1.388 19.806) 19.899 6.264 ( -2.478 -2.870 14.775) 15.254 6.559 ( -2.713 5.895 27.662) 28.413 6.670 ( -5.149 -3.681 27.158) 27.886 6.784 ( 0.646 3.173 24.521) 24.734 6.857 ( 1.936 -2.666 20.111) 20.379 6.895 ( -2.781 -1.196 31.075) 31.222 6.904 ( 0.701 -1.898 25.491) 25.571 7.186 ( -2.440 5.245 14.616) 15.719 7.254 ( -3.386 6.502 14.741) 16.463 7.291 ( -1.687 -1.265 9.740) 9.966 7.402 ( -5.709 -6.132 12.415) 14.977 7.448 ( -0.292 2.626 6.200) 6.740 7.554 ( -4.957 -3.687 5.634) 8.361 7.883 ( -2.413 -0.798 7.326) 7.754 7.907 ( -2.636 -2.167 5.363) 6.357 8.757 ( 17.071 2.618 -3.043) 17.536 8.799 ( 12.083 -0.068 -2.977) 12.444 8.891 ( 11.776 1.546 -4.687) 12.769 8.954 ( 6.096 -3.338 -4.686) 8.382 9.296 ( 2.280 4.573 -1.368) 5.290 9.378 ( -1.046 0.282 1.434) 1.797 9.443 ( -6.857 3.148 8.579) 11.425 9.615 ( -2.545 -9.104 10.605) 14.206 9.953 ( 2.347 7.642 12.104) 14.506 10.128 ( -1.798 -6.835 14.370) 16.014 10.262 ( 4.590 4.529 20.805) 21.781 10.326 ( -6.772 2.932 16.431) 18.012 10.447 ( 3.000 -2.309 14.505) 14.991 10.475 ( -0.808 -4.571 -4.258) 6.299 10.613 ( -0.402 2.173 14.523) 14.690 10.717 ( 0.531 -4.828 17.693) 18.347 10.815 ( 2.116 2.348 3.813) 4.953 10.884 ( 2.625 -1.675 -0.399) 3.140 11.149 ( -1.736 1.738 -1.677) 2.974 11.213 ( -2.581 -2.374 -5.311) 6.364 11.464 ( 7.622 5.193 11.544) 14.776 11.602 ( 2.061 -5.095 4.231) 6.936 11.790 ( -5.841 2.181 22.444) 23.294 11.818 ( -2.461 0.193 17.455) 17.628 11.884 ( -10.037 4.166 20.047) 22.803 12.027 ( -12.237 -4.862 13.385) 18.776 12.213 ( 0.384 2.140 12.849) 13.031 12.276 ( 0.966 -0.956 17.303) 17.357 12.457 ( 2.497 3.019 1.110) 4.072 12.473 ( -1.261 1.560 4.950) 5.341 12.527 ( -2.586 1.347 -2.868) 4.090 12.615 ( 0.948 1.823 4.850) 5.267 12.709 ( 2.220 4.219 2.551) 5.407 12.824 ( -2.164 2.368 7.789) 8.424 12.889 ( -4.038 -2.275 13.207) 13.997 13.036 ( -1.411 -8.414 10.243) 13.330 13.149 ( 1.738 0.419 15.362) 15.466 13.233 ( -3.135 -7.794 12.933) 15.422 13.456 ( 1.596 1.928 4.667) 5.296 13.502 ( -0.197 -2.179 13.883) 14.054 13.603 ( -3.628 1.121 14.223) 14.722 13.632 ( -4.030 -1.557 12.391) 13.122 13.777 ( -0.418 2.631 10.647) 10.975 13.804 ( -3.461 1.325 16.515) 16.926 13.915 ( 5.182 2.054 1.736) 5.838 13.980 ( 0.997 -3.143 12.037) 12.480 14.155 ( -1.234 -0.078 23.040) 23.073 14.168 ( -1.115 -0.848 26.235) 26.273 14.465 ( 8.070 0.983 -0.598) 8.151 14.515 ( 6.327 -3.560 2.890) 7.814 14.812 ( 12.372 8.370 14.667) 20.934 14.959 ( 5.761 -5.579 15.890) 17.799 15.127 ( 1.298 3.198 2.747) 4.411 15.134 ( -0.796 2.389 9.013) 9.359 15.464 ( 3.470 1.131 -3.323) 4.936 15.557 ( 1.632 -3.531 2.255) 4.496 15.765 ( -4.879 5.532 2.444) 7.770 15.975 ( -9.354 -9.587 3.032) 13.733 16.021 ( -4.736 5.583 17.593) 19.055 16.114 ( -7.468 -2.859 23.198) 24.538 17.115 ( 6.119 5.651 10.442) 13.357 17.202 ( 2.667 -0.817 13.861) 14.139 17.455 ( 4.838 -0.563 6.468) 8.097 17.514 ( 2.920 -5.287 4.367) 7.453 17.809 ( 5.544 7.161 -1.889) 9.252 17.960 ( -0.948 -6.184 -2.820) 6.863 19.132 ( -3.983 2.739 15.564) 16.297 19.175 ( -5.806 -0.688 8.928) 10.672 19.957 ( 1.281 1.741 -4.520) 5.010 19.998 ( -0.107 -1.644 -6.450) 6.657 20.125 ( -7.145 0.413 -1.611) 7.336 20.137 ( -8.650 -0.636 -2.226) 8.955 20.685 ( 2.788 2.015 -5.588) 6.562 20.746 ( 3.465 -1.203 -11.483) 12.055 20.848 ( 4.274 -0.876 -4.154) 6.025 20.876 ( 3.470 -2.277 -9.649) 10.504 21.324 ( 2.192 5.171 -6.050) 8.255 21.465 ( -0.293 -6.048 -10.584) 12.194 21.620 ( -4.110 4.642 5.048) 7.995 21.760 ( -6.678 -6.691 -0.812) 9.488 21.989 ( -1.155 3.799 -7.816) 8.767 22.026 ( -2.750 1.068 -8.839) 9.318 23.140 ( 17.211 3.965 -11.871) 21.280 23.272 ( 15.838 -8.167 -13.812) 22.547 23.700 ( 1.172 5.486 -16.651) 17.571 23.730 ( -3.604 0.414 -14.982) 15.415 23.873 ( -8.854 7.031 -16.864) 20.303 24.095 ( -11.528 -10.041 -21.551) 26.423 25.452 ( 1.202 3.567 -8.774) 9.547 25.523 ( -2.132 -2.402 -9.648) 10.168 26.542 ( 1.119 0.700 -13.386) 13.451 26.560 ( 0.159 -0.846 -13.369) 13.397 ======================= Grid point 115 (48/72) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -1.250 -0.102 -11.541) 11.609 2.784 ( 1.250 -0.102 -11.541) 11.609 4.587 ( -1.981 2.602 1.074) 3.442 4.587 ( 1.981 2.602 1.074) 3.442 4.911 ( -2.228 -5.963 12.138) 13.706 4.911 ( 2.228 -5.963 12.138) 13.706 5.493 ( -1.709 3.900 19.338) 19.801 5.493 ( 1.709 3.900 19.338) 19.801 5.813 ( -1.728 -0.004 23.542) 23.605 5.813 ( 1.728 -0.004 23.542) 23.605 6.023 ( -1.343 0.912 6.156) 6.366 6.023 ( 1.343 0.912 6.156) 6.366 6.236 ( -0.607 -1.397 17.529) 17.595 6.236 ( 0.607 -1.397 17.529) 17.595 6.576 ( -3.919 1.917 35.042) 35.313 6.576 ( 3.919 1.917 35.042) 35.313 6.819 ( -2.796 -0.855 32.883) 33.013 6.819 ( 2.796 -0.855 32.883) 33.013 6.911 ( -1.239 -1.681 21.205) 21.307 6.911 ( 1.239 -1.681 21.205) 21.307 7.176 ( -2.153 3.008 14.157) 14.632 7.176 ( 2.154 3.008 14.157) 14.632 7.323 ( -3.120 -1.566 12.229) 12.718 7.323 ( 3.120 -1.566 12.229) 12.718 7.475 ( -3.203 0.159 4.889) 5.847 7.475 ( 3.203 0.159 4.889) 5.847 7.867 ( -0.949 -2.238 5.930) 6.408 7.867 ( 0.949 -2.238 5.930) 6.408 8.923 ( -3.053 1.091 -6.700) 7.443 8.923 ( 3.053 1.091 -6.700) 7.443 9.019 ( -5.338 1.891 -10.961) 12.337 9.019 ( 5.338 1.891 -10.961) 12.337 9.320 ( -3.476 1.152 5.856) 6.907 9.320 ( 3.476 1.152 5.856) 6.907 9.505 ( -10.782 -1.970 11.319) 15.756 9.505 ( 10.782 -1.970 11.319) 15.756 10.023 ( -6.296 -0.346 14.267) 15.598 10.023 ( 6.296 -0.346 14.267) 15.598 10.270 ( -1.963 -1.953 15.027) 15.280 10.270 ( 1.963 -1.953 15.027) 15.280 10.528 ( -5.999 0.961 10.222) 11.891 10.528 ( 5.999 0.961 10.222) 11.891 10.632 ( -6.805 -0.316 6.934) 9.720 10.632 ( 6.805 -0.316 6.934) 9.720 10.894 ( -4.490 -2.166 5.258) 7.246 10.894 ( 4.490 -2.166 5.258) 7.246 11.133 ( -3.231 1.439 -3.330) 4.858 11.133 ( 3.231 1.439 -3.330) 4.858 11.646 ( -10.915 6.030 1.111) 12.519 11.646 ( 10.915 6.030 1.111) 12.519 11.751 ( -9.965 -2.020 5.129) 11.388 11.751 ( 9.965 -2.020 5.129) 11.388 11.778 ( -4.276 -2.643 35.000) 35.359 11.778 ( 4.276 -2.643 35.000) 35.359 12.254 ( -2.649 -1.054 13.775) 14.066 12.254 ( 2.649 -1.054 13.775) 14.066 12.469 ( -0.796 -0.401 7.797) 7.848 12.469 ( 0.796 -0.401 7.797) 7.848 12.572 ( -4.673 7.554 2.415) 9.205 12.572 ( 4.673 7.554 2.415) 9.205 12.773 ( -3.815 2.943 7.809) 9.176 12.773 ( 3.815 2.943 7.809) 9.176 12.943 ( -7.751 -7.737 14.058) 17.821 12.943 ( 7.751 -7.737 14.058) 17.821 13.185 ( -1.928 -2.248 17.746) 17.991 13.185 ( 1.928 -2.248 17.746) 17.991 13.488 ( -1.406 -1.439 2.984) 3.598 13.488 ( 1.406 -1.439 2.984) 3.598 13.579 ( -1.478 0.844 14.188) 14.290 13.579 ( 1.478 0.844 14.188) 14.290 13.759 ( -0.278 1.643 16.431) 16.515 13.759 ( 0.278 1.643 16.431) 16.515 14.004 ( -1.477 -1.834 3.429) 4.160 14.004 ( 1.477 -1.834 3.429) 4.160 14.129 ( -0.787 0.124 26.461) 26.473 14.129 ( 0.787 0.124 26.461) 26.473 14.557 ( -1.593 -1.708 -0.317) 2.357 14.557 ( 1.593 -1.708 -0.317) 2.357 14.984 ( -4.677 2.567 15.052) 15.970 14.984 ( 4.678 2.567 15.052) 15.970 15.135 ( -0.298 1.821 3.843) 4.263 15.135 ( 0.298 1.821 3.843) 4.263 15.539 ( -4.633 4.849 0.230) 6.710 15.539 ( 4.633 4.849 0.230) 6.710 15.802 ( -8.424 -7.026 3.402) 11.485 15.802 ( 8.424 -7.026 3.402) 11.485 15.996 ( -3.321 0.632 19.180) 19.476 15.996 ( 3.321 0.632 19.180) 19.476 17.203 ( -2.771 3.367 12.206) 12.962 17.203 ( 2.771 3.367 12.206) 12.962 17.516 ( -1.974 -3.582 4.895) 6.379 17.516 ( 1.974 -3.582 4.895) 6.379 17.918 ( -4.463 0.323 -2.592) 5.171 17.918 ( 4.463 0.323 -2.592) 5.171 19.100 ( -1.315 1.374 13.331) 13.466 19.100 ( 1.315 1.374 13.331) 13.466 20.005 ( -2.962 0.148 -3.390) 4.504 20.005 ( 2.962 0.148 -3.390) 4.504 20.032 ( -1.956 -0.214 -3.565) 4.072 20.032 ( 1.956 -0.214 -3.565) 4.072 20.746 ( -2.941 -2.475 -6.756) 7.773 20.746 ( 2.941 -2.475 -6.756) 7.773 20.899 ( -1.535 0.279 -9.586) 9.712 20.899 ( 1.535 0.279 -9.586) 9.712 21.409 ( -5.767 3.959 -6.615) 9.628 21.409 ( 5.767 3.959 -6.615) 9.628 21.633 ( -5.739 -5.407 2.633) 8.313 21.633 ( 5.739 -5.407 2.633) 8.313 21.988 ( -1.109 3.065 -8.969) 9.543 21.988 ( 1.109 3.065 -8.969) 9.543 23.427 ( -8.866 0.641 -12.751) 15.544 23.427 ( 8.866 0.641 -12.751) 15.544 23.631 ( -5.467 -0.501 -15.852) 16.776 23.631 ( 5.467 -0.501 -15.852) 16.776 23.899 ( -8.592 -0.573 -20.221) 21.978 23.899 ( 8.592 -0.573 -20.221) 21.978 25.483 ( -2.040 0.253 -9.051) 9.281 25.483 ( 2.040 0.253 -9.051) 9.281 26.558 ( -0.515 -0.076 -13.216) 13.226 26.558 ( 0.515 -0.076 -13.216) 13.226 ======================= Grid point 126 (49/72) ======================= q-point: ( 0.00 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 0.000 0.000 -10.460) 10.460 2.592 ( 0.000 0.000 -13.105) 13.105 4.484 ( 0.000 0.000 -12.523) 12.523 4.527 ( 0.000 0.000 -5.042) 5.042 4.872 ( 0.000 0.000 -10.405) 10.405 5.017 ( 0.000 0.000 -15.156) 15.156 5.874 ( 0.000 0.000 -3.256) 3.256 6.062 ( 0.000 0.000 38.457) 38.457 6.065 ( 0.000 0.000 2.605) 2.605 6.227 ( 0.000 0.000 20.421) 20.421 6.247 ( 0.000 0.000 8.136) 8.136 6.302 ( 0.000 0.000 16.017) 16.017 6.584 ( 0.000 0.000 20.333) 20.333 6.850 ( 0.000 0.000 5.995) 5.995 6.902 ( 0.000 0.000 31.196) 31.196 7.025 ( 0.000 0.000 13.408) 13.408 7.190 ( 0.000 0.000 27.661) 27.661 7.217 ( 0.000 0.000 19.834) 19.834 7.392 ( 0.000 0.000 14.194) 14.194 7.532 ( 0.000 0.000 18.632) 18.632 7.571 ( 0.000 0.000 22.172) 22.172 7.573 ( 0.000 0.000 20.946) 20.946 7.682 ( 0.000 0.000 26.335) 26.335 7.769 ( 0.000 0.000 13.100) 13.100 7.914 ( 0.000 0.000 11.511) 11.511 7.957 ( 0.000 0.000 10.243) 10.243 8.110 ( 0.000 0.000 13.308) 13.308 8.262 ( 0.000 0.000 20.758) 20.758 8.296 ( 0.000 0.000 12.719) 12.719 8.311 ( 0.000 0.000 -4.475) 4.475 8.762 ( 0.000 0.000 0.716) 0.716 8.818 ( 0.000 0.000 3.004) 3.004 9.071 ( 0.000 0.000 -7.458) 7.458 9.281 ( 0.000 0.000 -5.784) 5.784 9.525 ( 0.000 0.000 -3.281) 3.281 9.673 ( 0.000 0.000 -3.506) 3.506 9.784 ( 0.000 0.000 -2.136) 2.136 10.085 ( 0.000 0.000 -18.429) 18.429 10.223 ( 0.000 0.000 -11.040) 11.040 10.334 ( 0.000 0.000 -8.715) 8.715 10.615 ( 0.000 0.000 -7.772) 7.772 10.641 ( 0.000 0.000 -6.863) 6.863 10.742 ( 0.000 0.000 6.062) 6.062 10.869 ( 0.000 0.000 -17.750) 17.750 10.882 ( 0.000 0.000 -8.129) 8.129 11.091 ( 0.000 0.000 -5.919) 5.919 11.286 ( 0.000 0.000 -5.425) 5.425 11.386 ( 0.000 0.000 44.483) 44.483 11.482 ( 0.000 0.000 4.028) 4.028 11.696 ( 0.000 0.000 25.287) 25.287 12.035 ( 0.000 0.000 -11.912) 11.912 12.054 ( 0.000 0.000 10.439) 10.439 12.118 ( 0.000 0.000 -17.216) 17.216 12.238 ( 0.000 0.000 -7.581) 7.581 12.327 ( 0.000 0.000 -19.696) 19.696 12.333 ( 0.000 0.000 -13.501) 13.501 12.366 ( 0.000 0.000 -20.609) 20.609 12.431 ( 0.000 0.000 4.476) 4.476 12.577 ( 0.000 0.000 5.479) 5.479 12.632 ( 0.000 0.000 -10.334) 10.334 12.840 ( 0.000 0.000 -13.495) 13.495 12.951 ( 0.000 0.000 -5.053) 5.053 13.015 ( 0.000 0.000 0.561) 0.561 13.027 ( 0.000 0.000 40.646) 40.646 13.365 ( 0.000 0.000 19.514) 19.514 13.373 ( 0.000 0.000 10.738) 10.738 13.538 ( 0.000 0.000 23.071) 23.071 13.920 ( 0.000 0.000 14.651) 14.651 13.970 ( 0.000 0.000 28.044) 28.044 14.010 ( 0.000 0.000 9.734) 9.734 14.060 ( 0.000 0.000 12.700) 12.700 14.139 ( 0.000 0.000 9.903) 9.903 14.325 ( 0.000 0.000 13.135) 13.135 14.440 ( 0.000 0.000 15.986) 15.986 14.680 ( 0.000 0.000 26.191) 26.191 14.681 ( 0.000 0.000 43.617) 43.617 14.688 ( 0.000 0.000 24.841) 24.841 14.727 ( 0.000 0.000 23.204) 23.204 14.827 ( 0.000 0.000 29.286) 29.286 15.167 ( 0.000 0.000 13.341) 13.341 15.332 ( 0.000 0.000 9.858) 9.858 15.398 ( 0.000 0.000 22.493) 22.493 15.525 ( 0.000 0.000 0.556) 0.556 15.540 ( 0.000 0.000 22.610) 22.610 16.054 ( 0.000 0.000 5.325) 5.325 16.113 ( 0.000 0.000 -14.338) 14.338 16.520 ( 0.000 0.000 23.182) 23.182 16.817 ( 0.000 0.000 18.466) 18.466 17.102 ( 0.000 0.000 9.482) 9.482 17.219 ( 0.000 0.000 3.913) 3.913 17.627 ( 0.000 0.000 31.414) 31.414 17.717 ( 0.000 0.000 -0.219) 0.219 17.736 ( 0.000 0.000 18.298) 18.298 18.005 ( 0.000 0.000 -5.876) 5.876 19.225 ( 0.000 0.000 -6.934) 6.934 19.500 ( 0.000 0.000 3.241) 3.241 19.839 ( 0.000 0.000 -3.449) 3.449 19.858 ( 0.000 0.000 -5.137) 5.137 20.189 ( 0.000 0.000 -5.463) 5.463 20.434 ( 0.000 0.000 -14.193) 14.193 20.445 ( 0.000 0.000 -8.376) 8.376 20.515 ( 0.000 0.000 -2.030) 2.030 20.576 ( 0.000 0.000 3.663) 3.663 20.671 ( 0.000 0.000 -1.502) 1.502 21.170 ( 0.000 0.000 -7.509) 7.509 21.318 ( 0.000 0.000 -5.153) 5.153 21.911 ( 0.000 0.000 20.584) 20.584 21.916 ( 0.000 0.000 5.704) 5.704 21.970 ( 0.000 0.000 -1.381) 1.381 22.204 ( 0.000 0.000 11.641) 11.641 22.575 ( 0.000 0.000 -5.962) 5.962 22.829 ( 0.000 0.000 -13.092) 13.092 22.984 ( 0.000 0.000 -11.510) 11.510 23.598 ( 0.000 0.000 -9.517) 9.517 23.803 ( 0.000 0.000 -11.128) 11.128 24.056 ( 0.000 0.000 -22.147) 22.147 25.099 ( 0.000 0.000 -15.651) 15.651 25.324 ( 0.000 0.000 -17.871) 17.871 26.148 ( 0.000 0.000 -20.167) 20.167 26.232 ( 0.000 0.000 -19.702) 19.702 ======================= Grid point 127 (50/72) ======================= q-point: ( 0.17 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 2.006 0.000 -10.871) 11.054 2.587 ( -0.553 0.000 -12.981) 12.993 4.480 ( -0.429 0.000 -12.308) 12.316 4.516 ( -1.175 0.000 -6.122) 6.234 4.865 ( -0.388 0.000 -10.583) 10.590 5.005 ( -1.372 0.000 -15.765) 15.825 5.871 ( -0.616 0.000 -0.800) 1.010 6.025 ( -2.857 0.000 31.464) 31.593 6.028 ( -3.912 0.000 4.217) 5.752 6.195 ( -4.795 0.000 9.013) 10.209 6.232 ( 0.400 0.000 20.210) 20.214 6.294 ( -1.000 0.000 15.759) 15.791 6.585 ( 0.006 0.000 19.772) 19.772 6.773 ( -5.933 0.000 16.485) 17.521 6.950 ( 3.967 0.000 21.620) 21.981 7.042 ( 1.773 0.000 13.989) 14.101 7.247 ( 7.087 0.000 27.674) 28.567 7.311 ( 7.342 0.000 23.884) 24.987 7.384 ( -0.759 0.000 11.681) 11.706 7.466 ( -2.876 0.000 24.295) 24.465 7.503 ( -2.731 0.000 19.198) 19.392 7.654 ( 1.751 0.000 25.155) 25.216 7.696 ( 1.024 0.000 24.038) 24.059 7.731 ( -3.062 0.000 15.653) 15.950 7.861 ( -5.444 0.000 14.959) 15.919 7.928 ( -4.147 0.000 17.810) 18.287 8.088 ( -2.335 0.000 10.750) 11.001 8.220 ( -5.906 0.000 16.664) 17.680 8.416 ( 14.344 0.000 -1.329) 14.406 8.422 ( 9.692 0.000 -0.662) 9.715 8.745 ( -0.839 0.000 0.732) 1.113 8.846 ( 2.121 0.000 -0.089) 2.123 9.094 ( 3.128 0.000 -5.514) 6.339 9.379 ( 8.609 0.000 -5.114) 10.014 9.486 ( -4.421 0.000 -1.983) 4.846 9.694 ( 2.318 0.000 -4.754) 5.289 9.830 ( 4.777 0.000 -2.176) 5.250 10.111 ( 2.911 0.000 -16.677) 16.929 10.202 ( -2.634 0.000 -9.286) 9.652 10.392 ( 6.409 0.000 -9.378) 11.359 10.408 ( -14.415 0.000 -3.482) 14.829 10.621 ( -0.984 0.000 -11.030) 11.074 10.770 ( 3.532 0.000 2.930) 4.590 10.782 ( -9.411 0.000 -15.789) 18.381 10.878 ( -0.386 0.000 -11.065) 11.072 11.164 ( -0.439 0.000 -2.742) 2.777 11.325 ( 4.895 0.000 -3.905) 6.262 11.340 ( -4.885 0.000 37.662) 37.977 11.525 ( 4.225 0.000 -2.817) 5.078 11.530 ( -15.585 0.000 22.752) 27.578 11.938 ( -15.724 0.000 -14.695) 21.521 12.059 ( 2.368 0.000 -12.540) 12.762 12.140 ( -7.842 0.000 -5.036) 9.319 12.219 ( -5.837 0.000 -23.020) 23.749 12.291 ( 7.332 0.000 1.846) 7.561 12.301 ( 7.171 0.000 -12.517) 14.425 12.408 ( -4.155 0.000 -1.055) 4.287 12.463 ( 9.240 0.000 -12.973) 15.928 12.570 ( -0.268 0.000 5.795) 5.802 12.629 ( 4.838 0.000 5.853) 7.594 12.915 ( -6.288 0.000 25.647) 26.407 12.955 ( 7.825 0.000 3.774) 8.687 12.989 ( 3.887 0.000 0.758) 3.961 13.101 ( 6.288 0.000 10.161) 11.949 13.368 ( -10.389 0.000 8.360) 13.335 13.490 ( 9.022 0.000 16.887) 19.146 13.586 ( 12.704 0.000 7.078) 14.543 13.876 ( -10.066 0.000 10.889) 14.829 13.890 ( -6.645 0.000 9.565) 11.647 13.950 ( 0.011 0.000 21.435) 21.435 14.072 ( 5.563 0.000 34.338) 34.786 14.280 ( -3.796 0.000 20.982) 21.323 14.304 ( 8.867 0.000 14.703) 17.170 14.474 ( 4.213 0.000 13.691) 14.324 14.621 ( -7.550 0.000 27.326) 28.350 14.672 ( -4.600 0.000 26.237) 26.637 14.748 ( 5.141 0.000 29.248) 29.696 14.796 ( 11.187 0.000 31.324) 33.262 14.836 ( 0.486 0.000 22.941) 22.947 15.130 ( -2.910 0.000 10.166) 10.574 15.228 ( -6.853 0.000 7.506) 10.164 15.426 ( 1.915 0.000 19.855) 19.947 15.514 ( -2.258 0.000 -1.178) 2.547 15.546 ( 0.169 0.000 20.703) 20.704 16.037 ( -6.493 0.000 -11.392) 13.113 16.138 ( 7.257 0.000 9.514) 11.966 16.368 ( -12.268 0.000 23.133) 26.185 16.857 ( -0.663 0.000 17.789) 17.801 17.124 ( 3.714 0.000 8.705) 9.464 17.366 ( 13.273 0.000 2.069) 13.434 17.555 ( -5.367 0.000 17.764) 18.557 17.744 ( 1.605 0.000 11.576) 11.687 17.746 ( 0.978 0.000 17.938) 17.965 17.995 ( -1.182 0.000 -4.687) 4.834 19.224 ( 0.025 0.000 -5.211) 5.211 19.446 ( -4.763 0.000 3.378) 5.839 19.844 ( 0.863 0.000 -3.150) 3.266 19.895 ( 2.180 0.000 -3.389) 4.029 20.158 ( -3.471 0.000 -4.252) 5.489 20.340 ( -11.709 0.000 -0.606) 11.725 20.385 ( 1.716 0.000 -11.004) 11.137 20.584 ( 7.756 0.000 -12.761) 14.933 20.606 ( -2.398 0.000 0.107) 2.400 20.731 ( 5.813 0.000 -1.033) 5.904 21.153 ( -1.194 0.000 -7.010) 7.111 21.330 ( 0.643 0.000 -8.629) 8.653 21.888 ( -2.490 0.000 6.633) 7.085 21.890 ( -2.256 0.000 21.720) 21.837 21.956 ( -1.299 0.000 0.546) 1.409 22.166 ( -4.029 0.000 12.473) 13.107 22.659 ( 9.243 0.000 -7.234) 11.738 22.928 ( 10.085 0.000 -14.165) 17.389 23.053 ( 6.898 0.000 -11.258) 13.203 23.568 ( -3.276 0.000 -9.728) 10.265 23.734 ( -7.217 0.000 -11.124) 13.260 23.977 ( -8.236 0.000 -21.711) 23.220 25.116 ( 1.764 0.000 -15.820) 15.918 25.311 ( -1.463 0.000 -17.799) 17.859 26.164 ( 1.673 0.000 -19.947) 20.017 26.236 ( 0.306 0.000 -19.563) 19.566 ======================= Grid point 128 (51/72) ======================= q-point: ( 0.33 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 2.696 0.000 -11.693) 12.000 2.571 ( -1.243 0.000 -12.702) 12.763 4.470 ( -0.439 0.000 -11.522) 11.530 4.490 ( -1.436 0.000 -8.375) 8.497 4.871 ( 1.272 0.000 -12.189) 12.255 4.966 ( -2.760 0.000 -16.251) 16.483 5.845 ( -1.616 0.000 9.331) 9.469 5.933 ( -5.781 0.000 9.173) 10.843 6.002 ( 0.719 0.000 15.162) 15.179 6.104 ( -4.515 0.000 8.259) 9.413 6.239 ( 0.419 0.000 19.211) 19.215 6.270 ( -1.374 0.000 16.463) 16.520 6.587 ( 0.411 0.000 18.117) 18.121 6.671 ( -4.717 0.000 18.197) 18.799 7.040 ( 5.379 0.000 20.224) 20.927 7.086 ( 2.705 0.000 17.200) 17.411 7.381 ( 0.704 0.000 10.243) 10.267 7.400 ( 5.617 0.000 26.365) 26.957 7.438 ( 4.523 0.000 19.391) 19.911 7.467 ( 3.232 0.000 29.817) 29.992 7.478 ( 3.222 0.000 26.293) 26.490 7.632 ( -3.830 0.000 32.672) 32.896 7.673 ( -3.477 0.000 17.340) 17.685 7.712 ( 1.134 0.000 20.378) 20.410 7.735 ( -7.543 0.000 22.872) 24.084 7.844 ( -3.613 0.000 22.800) 23.085 8.031 ( -3.413 0.000 7.120) 7.896 8.082 ( -7.953 0.000 14.080) 16.171 8.615 ( 10.507 0.000 -6.524) 12.368 8.685 ( 11.057 0.000 -9.434) 14.534 8.747 ( 1.010 0.000 -1.955) 2.201 8.869 ( -0.527 0.000 -5.923) 5.947 9.208 ( 9.419 0.000 -2.117) 9.654 9.383 ( -5.484 0.000 0.204) 5.488 9.501 ( 3.738 0.000 -1.358) 3.977 9.736 ( 0.887 0.000 -5.687) 5.755 9.936 ( 5.905 0.000 -1.114) 6.009 10.115 ( -6.833 0.000 -6.229) 9.246 10.175 ( 2.039 0.000 -17.482) 17.601 10.311 ( 8.636 0.000 -4.092) 9.556 10.486 ( -8.251 0.000 -10.831) 13.616 10.609 ( 3.087 0.000 -12.555) 12.929 10.645 ( 4.234 0.000 -10.088) 10.941 10.862 ( -2.584 0.000 -14.072) 14.307 10.876 ( 8.190 0.000 4.213) 9.210 11.098 ( -5.670 0.000 -0.026) 5.670 11.185 ( -17.858 0.000 16.222) 24.126 11.230 ( -9.386 0.000 19.546) 21.683 11.334 ( -3.248 0.000 -15.186) 15.530 11.546 ( -21.103 0.000 -14.560) 25.638 11.635 ( 7.052 0.000 -2.615) 7.522 11.946 ( -10.422 0.000 -8.772) 13.622 12.105 ( 2.434 0.000 -13.239) 13.461 12.171 ( -1.349 0.000 -17.551) 17.603 12.396 ( 2.196 0.000 6.802) 7.148 12.450 ( 4.305 0.000 -0.080) 4.306 12.497 ( 11.688 0.000 7.777) 14.038 12.588 ( 6.458 0.000 3.192) 7.204 12.634 ( 4.950 0.000 -10.814) 11.893 12.708 ( 1.856 0.000 13.835) 13.959 12.851 ( 0.468 0.000 23.857) 23.861 12.981 ( -3.842 0.000 14.198) 14.709 13.092 ( 6.524 0.000 1.704) 6.743 13.261 ( 11.496 0.000 11.974) 16.599 13.266 ( -1.867 0.000 -5.532) 5.839 13.531 ( -4.476 0.000 22.047) 22.496 13.613 ( -6.702 0.000 0.115) 6.703 13.745 ( -9.483 0.000 11.711) 15.069 13.864 ( 9.136 0.000 10.444) 13.875 14.004 ( 1.723 0.000 35.478) 35.520 14.218 ( 10.289 0.000 31.232) 32.884 14.234 ( 1.289 0.000 27.832) 27.862 14.342 ( -7.149 0.000 36.790) 37.478 14.479 ( -5.983 0.000 21.349) 22.171 14.495 ( -2.547 0.000 7.893) 8.294 14.616 ( -0.307 0.000 19.915) 19.917 14.828 ( 3.328 0.000 27.469) 27.670 14.836 ( -0.179 0.000 19.540) 19.541 15.037 ( 12.462 0.000 20.567) 24.048 15.087 ( -1.315 0.000 2.770) 3.066 15.182 ( 1.582 0.000 4.602) 4.866 15.427 ( -2.652 0.000 16.194) 16.409 15.463 ( -1.960 0.000 0.282) 1.980 15.529 ( -2.266 0.000 14.612) 14.787 15.958 ( -0.168 0.000 -1.608) 1.617 16.161 ( -9.190 0.000 22.740) 24.527 16.267 ( 6.820 0.000 13.592) 15.208 16.713 ( -14.031 0.000 14.924) 20.484 17.235 ( 7.603 0.000 8.137) 11.137 17.472 ( -4.193 0.000 11.108) 11.873 17.630 ( 13.869 0.000 -2.061) 14.022 17.768 ( 0.955 0.000 13.960) 13.992 17.769 ( 1.468 0.000 18.153) 18.213 17.957 ( -3.291 0.000 -1.617) 3.667 19.233 ( 1.218 0.000 -0.792) 1.453 19.355 ( -4.862 0.000 4.642) 6.722 19.880 ( 3.259 0.000 -3.511) 4.790 19.914 ( 0.899 0.000 -0.565) 1.062 20.067 ( -6.005 0.000 -2.182) 6.389 20.128 ( -10.629 0.000 0.180) 10.631 20.493 ( 8.518 0.000 -11.117) 14.005 20.583 ( 0.487 0.000 -3.829) 3.860 20.677 ( 1.871 0.000 -12.629) 12.766 20.782 ( -0.912 0.000 -5.707) 5.779 21.164 ( 3.246 0.000 -6.911) 7.635 21.322 ( -1.883 0.000 -11.524) 11.677 21.842 ( -2.131 0.000 21.277) 21.384 21.847 ( -1.684 0.000 8.722) 8.883 21.940 ( 0.030 0.000 5.422) 5.422 22.069 ( -5.989 0.000 14.034) 15.259 22.896 ( 15.506 0.000 -8.841) 17.849 23.157 ( 13.177 0.000 -16.034) 20.754 23.208 ( 9.281 0.000 -11.120) 14.484 23.472 ( -7.273 0.000 -10.281) 12.593 23.562 ( -10.271 0.000 -11.230) 15.219 23.772 ( -13.570 0.000 -20.453) 24.545 25.160 ( 2.885 0.000 -16.272) 16.526 25.272 ( -2.684 0.000 -17.471) 17.676 26.200 ( 1.972 0.000 -19.520) 19.619 26.239 ( -0.062 0.000 -19.315) 19.315 ======================= Grid point 129 (52/72) ======================= q-point: (-0.50 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -2.133 0.000 -12.325) 12.508 2.541 ( 2.133 0.000 -12.325) 12.508 4.470 ( -0.548 0.000 -10.271) 10.286 4.470 ( 0.548 0.000 -10.271) 10.286 4.911 ( -2.882 0.000 -14.825) 15.102 4.911 ( 2.882 0.000 -14.825) 15.102 5.849 ( -2.614 0.000 12.196) 12.473 5.849 ( 2.614 0.000 12.196) 12.473 6.037 ( -2.803 0.000 8.642) 9.085 6.037 ( 2.803 0.000 8.642) 9.085 6.249 ( -0.793 0.000 17.911) 17.928 6.249 ( 0.793 0.000 17.911) 17.928 6.608 ( -2.151 0.000 17.500) 17.632 6.608 ( 2.151 0.000 17.500) 17.632 7.111 ( -1.162 0.000 20.216) 20.249 7.111 ( 1.162 0.000 20.216) 20.249 7.396 ( -0.903 0.000 11.121) 11.158 7.396 ( 0.903 0.000 11.121) 11.158 7.514 ( -2.366 0.000 29.957) 30.050 7.514 ( 2.366 0.000 29.957) 30.050 7.588 ( -4.347 0.000 27.292) 27.636 7.588 ( 4.347 0.000 27.292) 27.636 7.611 ( -3.368 0.000 24.994) 25.220 7.611 ( 3.368 0.000 24.994) 25.220 7.773 ( -5.001 0.000 27.873) 28.318 7.773 ( 5.001 0.000 27.872) 28.318 7.992 ( -0.518 0.000 6.118) 6.140 7.992 ( 0.518 0.000 6.118) 6.140 8.758 ( -1.802 0.000 -6.748) 6.985 8.758 ( 1.802 0.000 -6.748) 6.985 8.802 ( -5.850 0.000 -9.094) 10.813 8.802 ( 5.850 0.000 -9.094) 10.813 9.324 ( -1.837 0.000 -1.299) 2.250 9.324 ( 1.838 0.000 -1.299) 2.251 9.642 ( -11.406 0.000 -0.824) 11.435 9.642 ( 11.406 0.000 -0.824) 11.435 10.008 ( -3.143 0.000 -5.764) 6.565 10.008 ( 3.143 0.000 -5.764) 6.565 10.268 ( -9.362 0.000 -12.454) 15.581 10.268 ( 9.362 0.000 -12.454) 15.581 10.618 ( -17.836 0.000 -4.146) 18.312 10.618 ( 17.836 0.000 -4.146) 18.312 10.740 ( -3.760 0.000 -11.426) 12.029 10.740 ( 3.760 0.000 -11.426) 12.029 10.974 ( -0.419 0.000 -3.841) 3.863 10.974 ( 0.419 0.000 -3.840) 3.863 11.078 ( -8.905 0.000 14.520) 17.033 11.078 ( 8.905 0.000 14.520) 17.033 11.304 ( -3.510 0.000 -17.687) 18.032 11.304 ( 3.510 0.000 -17.687) 18.032 11.775 ( -8.346 0.000 -4.735) 9.596 11.775 ( 8.346 0.000 -4.735) 9.596 12.144 ( -1.743 0.000 -14.705) 14.808 12.144 ( 1.743 0.000 -14.705) 14.808 12.443 ( -2.374 0.000 14.917) 15.104 12.443 ( 2.374 0.000 14.917) 15.104 12.643 ( -2.667 0.000 -2.276) 3.506 12.643 ( 2.667 0.000 -2.276) 3.506 12.713 ( -1.718 0.000 11.054) 11.187 12.713 ( 1.718 0.000 11.054) 11.187 12.895 ( -4.131 0.000 9.004) 9.907 12.895 ( 4.131 0.000 9.004) 9.907 13.203 ( -5.392 0.000 -1.875) 5.709 13.203 ( 5.392 0.000 -1.875) 5.709 13.503 ( -4.225 0.000 6.668) 7.894 13.503 ( 4.225 0.000 6.668) 7.894 13.517 ( -13.591 0.000 19.504) 23.772 13.517 ( 13.591 0.000 19.504) 23.772 14.012 ( -2.626 0.000 29.745) 29.861 14.012 ( 2.626 0.000 29.745) 29.861 14.238 ( -0.055 0.000 26.209) 26.209 14.238 ( 0.055 0.000 26.209) 26.209 14.346 ( -6.664 0.000 26.452) 27.278 14.346 ( 6.664 0.000 26.452) 27.278 14.567 ( -7.660 0.000 19.697) 21.134 14.567 ( 7.660 0.000 19.697) 21.134 14.844 ( -1.104 0.000 17.525) 17.559 14.844 ( 1.104 0.000 17.525) 17.559 15.102 ( -2.237 0.000 2.985) 3.730 15.102 ( 2.237 0.000 2.985) 3.730 15.315 ( -9.309 0.000 13.104) 16.074 15.315 ( 9.309 0.000 13.104) 16.074 15.474 ( -2.785 0.000 7.672) 8.162 15.474 ( 2.785 0.000 7.672) 8.162 16.029 ( -6.015 0.000 14.587) 15.778 16.029 ( 6.015 0.000 14.587) 15.778 16.437 ( -13.136 0.000 13.663) 18.953 16.437 ( 13.136 0.000 13.663) 18.953 17.373 ( -6.786 0.000 8.748) 11.071 17.373 ( 6.786 0.000 8.748) 11.071 17.772 ( -0.879 0.000 9.503) 9.543 17.772 ( 0.879 0.000 9.503) 9.543 17.856 ( -8.017 0.000 4.222) 9.060 17.856 ( 8.017 0.000 4.222) 9.060 19.276 ( -3.477 0.000 3.644) 5.037 19.276 ( 3.477 0.000 3.644) 5.037 19.960 ( -5.021 0.000 -1.639) 5.281 19.960 ( 5.021 0.000 -1.639) 5.281 19.971 ( -6.222 0.000 -0.449) 6.238 19.971 ( 6.222 0.000 -0.449) 6.238 20.602 ( -0.503 0.000 -8.590) 8.605 20.602 ( 0.503 0.000 -8.590) 8.605 20.711 ( -4.762 0.000 -10.038) 11.111 20.711 ( 4.762 0.000 -10.038) 11.111 21.254 ( -5.243 0.000 -9.550) 10.894 21.254 ( 5.243 0.000 -9.550) 10.894 21.828 ( -0.363 0.000 14.047) 14.052 21.828 ( 0.363 0.000 14.047) 14.052 21.973 ( -3.796 0.000 12.333) 12.904 21.973 ( 3.796 0.000 12.333) 12.904 23.180 ( -13.422 0.000 -10.506) 17.045 23.180 ( 13.423 0.000 -10.506) 17.045 23.374 ( -8.185 0.000 -11.325) 13.973 23.374 ( 8.185 0.000 -11.325) 13.973 23.512 ( -12.584 0.000 -17.744) 21.753 23.512 ( 12.584 0.000 -17.744) 21.753 25.217 ( -3.209 0.000 -16.888) 17.190 25.217 ( 3.209 0.000 -16.888) 17.190 26.229 ( -1.086 0.000 -19.258) 19.288 26.229 ( 1.086 0.000 -19.258) 19.288 ======================= Grid point 133 (53/72) ======================= q-point: ( 0.00 0.33 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 0.000 3.386 -11.101) 11.606 2.551 ( 0.000 -3.420 -12.421) 12.883 4.487 ( 0.000 0.421 -10.298) 10.307 4.507 ( 0.000 -1.347 -6.629) 6.764 4.918 ( 0.000 3.482 -11.442) 11.960 4.989 ( 0.000 -2.538 -13.843) 14.074 5.927 ( 0.000 4.253 -4.365) 6.095 6.021 ( 0.000 -3.704 -1.270) 3.915 6.130 ( 0.000 5.291 34.600) 35.003 6.219 ( 0.000 -1.881 21.610) 21.692 6.265 ( 0.000 1.811 14.036) 14.153 6.297 ( 0.000 -0.696 15.740) 15.755 6.558 ( 0.000 0.055 19.723) 19.723 6.677 ( 0.000 -10.948 25.121) 27.402 6.945 ( 0.000 6.847 11.086) 13.030 7.066 ( 0.000 -2.508 17.505) 17.684 7.197 ( 0.000 0.699 26.209) 26.218 7.231 ( 0.000 -2.210 22.844) 22.950 7.455 ( 0.000 9.428 12.705) 15.821 7.561 ( 0.000 -0.854 21.452) 21.469 7.564 ( 0.000 -0.108 21.689) 21.689 7.643 ( 0.000 -4.316 18.928) 19.414 7.664 ( 0.000 8.849 13.676) 16.289 7.760 ( 0.000 0.140 17.184) 17.184 7.820 ( 0.000 -6.276 14.715) 15.997 7.862 ( 0.000 -7.751 12.097) 14.367 8.158 ( 0.000 3.808 14.102) 14.607 8.238 ( 0.000 -2.761 18.350) 18.557 8.295 ( 0.000 -0.032 10.585) 10.585 8.298 ( 0.000 -0.460 1.780) 1.839 8.798 ( 0.000 2.332 0.490) 2.383 8.826 ( 0.000 0.024 1.894) 1.894 9.124 ( 0.000 4.301 -6.739) 7.994 9.225 ( 0.000 -4.333 -5.916) 7.333 9.571 ( 0.000 3.357 -2.986) 4.493 9.640 ( 0.000 -2.633 -2.581) 3.687 9.847 ( 0.000 5.056 -4.276) 6.622 9.973 ( 0.000 -6.198 -10.100) 11.850 10.342 ( 0.000 1.303 -9.448) 9.537 10.361 ( 0.000 5.437 -14.401) 15.393 10.487 ( 0.000 -3.804 -10.550) 11.215 10.584 ( 0.000 -5.899 -15.159) 16.266 10.817 ( 0.000 7.925 5.308) 9.539 10.943 ( 0.000 4.749 -14.875) 15.614 10.962 ( 0.000 -0.451 -10.515) 10.524 11.038 ( 0.000 -4.597 -6.363) 7.850 11.284 ( 0.000 3.336 6.999) 7.754 11.414 ( 0.000 -5.890 6.886) 9.062 11.450 ( 0.000 5.464 38.887) 39.269 11.598 ( 0.000 -7.283 31.103) 31.944 12.022 ( 0.000 0.886 -12.699) 12.730 12.073 ( 0.000 -3.215 -15.384) 15.716 12.153 ( 0.000 6.398 7.048) 9.519 12.271 ( 0.000 -0.077 -1.721) 1.723 12.313 ( 0.000 -2.635 -13.707) 13.958 12.323 ( 0.000 -0.448 -18.670) 18.675 12.341 ( 0.000 -1.310 -7.378) 7.494 12.354 ( 0.000 -1.088 -18.888) 18.920 12.654 ( 0.000 2.034 -9.879) 10.087 12.701 ( 0.000 1.220 -4.122) 4.298 12.793 ( 0.000 5.424 4.174) 6.845 12.961 ( 0.000 1.456 -4.448) 4.680 12.968 ( 0.000 -4.330 5.568) 7.054 13.099 ( 0.000 -13.459 5.915) 14.701 13.188 ( 0.000 9.452 29.431) 30.911 13.336 ( 0.000 -3.616 21.440) 21.743 13.763 ( 0.000 9.941 19.759) 22.119 13.901 ( 0.000 -3.011 22.098) 22.303 13.949 ( 0.000 -0.281 6.159) 6.166 13.978 ( 0.000 -2.223 5.493) 5.926 14.104 ( 0.000 3.487 29.899) 30.102 14.154 ( 0.000 0.187 26.030) 26.030 14.334 ( 0.000 0.790 14.792) 14.813 14.397 ( 0.000 -5.593 22.280) 22.971 14.484 ( 0.000 -1.576 16.844) 16.918 14.547 ( 0.000 -5.791 16.848) 17.816 14.782 ( 0.000 2.696 32.486) 32.598 14.806 ( 0.000 0.102 35.880) 35.880 15.047 ( 0.000 12.349 18.867) 22.549 15.169 ( 0.000 -0.143 10.259) 10.260 15.281 ( 0.000 -1.813 23.827) 23.896 15.351 ( 0.000 -7.848 24.884) 26.092 15.528 ( 0.000 9.357 11.081) 14.503 15.677 ( 0.000 1.197 5.478) 5.607 15.949 ( 0.000 -3.785 2.100) 4.328 16.029 ( 0.000 -6.543 -10.251) 12.161 16.610 ( 0.000 6.492 21.638) 22.591 16.749 ( 0.000 -5.583 19.926) 20.693 17.171 ( 0.000 5.145 9.143) 10.491 17.244 ( 0.000 -0.039 7.245) 7.245 17.672 ( 0.000 3.335 27.504) 27.706 17.694 ( 0.000 1.749 1.770) 2.488 17.748 ( 0.000 -0.552 15.323) 15.333 17.872 ( 0.000 -9.837 -6.249) 11.654 19.324 ( 0.000 7.250 -3.579) 8.086 19.459 ( 0.000 -4.185 1.593) 4.478 19.844 ( 0.000 0.440 -4.419) 4.441 19.854 ( 0.000 -0.383 -5.106) 5.121 20.227 ( 0.000 3.687 -6.216) 7.227 20.341 ( 0.000 -6.119 -8.405) 10.397 20.468 ( 0.000 1.970 -8.545) 8.769 20.512 ( 0.000 -1.424 -7.680) 7.811 20.606 ( 0.000 2.329 2.537) 3.444 20.654 ( 0.000 -1.632 0.091) 1.635 21.228 ( 0.000 4.316 -8.292) 9.348 21.302 ( 0.000 -1.907 -6.945) 7.202 21.842 ( 0.000 -0.696 11.264) 11.285 21.896 ( 0.000 -4.906 3.775) 6.191 22.044 ( 0.000 6.225 12.532) 13.993 22.161 ( 0.000 -4.033 11.822) 12.491 22.596 ( 0.000 1.985 -6.834) 7.117 22.675 ( 0.000 -5.892 -9.273) 10.986 23.272 ( 0.000 16.327 -14.402) 21.771 23.539 ( 0.000 -6.721 -11.515) 13.333 23.821 ( 0.000 2.148 -12.422) 12.606 23.934 ( 0.000 -8.190 -18.493) 20.225 25.176 ( 0.000 5.594 -16.671) 17.585 25.284 ( 0.000 -3.688 -17.634) 18.016 26.168 ( 0.000 1.740 -20.022) 20.097 26.211 ( 0.000 -1.807 -19.791) 19.873 ======================= Grid point 134 (54/72) ======================= q-point: ( 0.17 0.33 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 1.383 2.877 -11.365) 11.805 2.553 ( 0.104 -2.896 -12.417) 12.751 4.483 ( -0.340 0.489 -10.355) 10.372 4.502 ( -0.479 -1.047 -7.784) 7.868 4.903 ( -1.375 3.084 -11.289) 11.783 4.973 ( -1.676 -2.767 -13.977) 14.347 5.926 ( -0.205 4.172 -4.631) 6.237 6.006 ( -1.684 -2.394 -1.463) 3.273 6.072 ( -5.337 3.894 30.581) 31.287 6.159 ( -5.796 -3.123 19.288) 20.381 6.256 ( -0.640 1.834 17.302) 17.411 6.289 ( -0.884 -0.713 16.049) 16.089 6.567 ( 1.111 1.054 19.789) 19.848 6.688 ( 1.145 -9.048 24.850) 26.470 6.940 ( -0.463 6.584 11.321) 13.104 7.078 ( 0.604 -3.420 17.112) 17.461 7.251 ( 6.273 0.528 28.077) 28.774 7.282 ( 4.798 -2.677 26.780) 27.338 7.432 ( -2.293 5.309 11.404) 12.786 7.497 ( -1.706 1.257 17.407) 17.535 7.584 ( -0.844 3.483 23.918) 24.185 7.626 ( -0.070 1.100 22.034) 22.061 7.697 ( -1.896 -1.646 12.547) 12.796 7.721 ( -0.107 -1.358 18.429) 18.479 7.796 ( -2.065 -2.000 23.153) 23.331 7.872 ( -1.623 -4.879 18.860) 19.548 8.122 ( -3.559 2.857 12.478) 13.286 8.189 ( -5.196 -2.681 15.564) 16.627 8.412 ( 12.594 -0.096 -0.029) 12.594 8.416 ( 10.554 -0.388 0.302) 10.566 8.790 ( -0.403 3.076 -0.226) 3.110 8.838 ( 0.942 -1.040 -0.316) 1.438 9.149 ( 3.113 4.729 -5.402) 7.825 9.277 ( 4.341 -6.432 -4.933) 9.195 9.569 ( -0.702 4.902 -2.066) 5.366 9.661 ( 1.758 -3.127 -2.667) 4.470 9.890 ( 4.602 4.829 -4.837) 8.240 10.011 ( 4.066 -5.913 -9.627) 12.007 10.294 ( -5.301 5.463 -14.225) 16.133 10.368 ( -3.104 -0.879 -10.298) 10.791 10.455 ( -2.684 1.203 -7.742) 8.282 10.525 ( 2.915 -6.828 -12.669) 14.684 10.717 ( -7.247 3.500 -1.888) 8.266 10.813 ( -8.085 -2.246 -9.659) 12.795 11.016 ( 1.635 6.467 -9.117) 11.297 11.108 ( -0.334 -3.405 -2.856) 4.457 11.309 ( -0.374 2.344 16.954) 17.120 11.401 ( -0.659 -1.905 10.373) 10.567 11.471 ( -1.262 1.536 20.436) 20.532 11.541 ( -2.693 -1.840 10.989) 11.463 11.948 ( -13.055 1.141 -14.147) 19.284 12.002 ( -3.523 -3.660 -11.949) 12.984 12.176 ( -3.512 1.971 -8.849) 9.722 12.208 ( -5.825 -0.525 -20.168) 20.999 12.252 ( 1.066 -0.422 0.081) 1.149 12.295 ( 2.609 -2.664 -3.687) 5.244 12.413 ( 7.466 2.196 -8.883) 11.810 12.465 ( 8.608 -1.337 -10.227) 13.434 12.596 ( -1.527 3.074 4.793) 5.895 12.681 ( -0.448 -2.377 6.955) 7.363 12.818 ( 1.290 4.813 11.154) 12.216 12.963 ( 0.729 -2.765 -0.969) 3.019 13.041 ( 6.144 0.795 3.800) 7.268 13.117 ( 7.477 -6.636 3.245) 10.510 13.313 ( 1.431 8.264 25.594) 26.933 13.494 ( 7.881 -4.569 15.669) 18.125 13.630 ( -2.300 3.109 9.064) 9.855 13.725 ( -12.099 -6.824 12.743) 18.850 13.948 ( -0.791 3.269 11.435) 11.920 13.999 ( 0.361 -0.461 17.836) 17.846 14.138 ( 1.827 5.543 34.726) 35.213 14.241 ( -1.798 -3.439 29.607) 29.860 14.332 ( 7.150 2.991 14.914) 16.808 14.437 ( 6.273 -5.474 20.875) 22.473 14.542 ( 2.866 -0.619 13.046) 13.372 14.594 ( 0.282 -3.192 17.575) 17.865 14.744 ( -2.186 0.118 31.219) 31.295 14.760 ( -3.259 -0.511 32.891) 33.056 15.073 ( 1.894 8.180 18.892) 20.674 15.162 ( 0.538 -0.224 7.905) 7.927 15.248 ( -2.353 5.255 21.105) 21.876 15.390 ( 2.173 -6.055 16.953) 18.132 15.488 ( -2.320 6.854 12.926) 14.814 15.644 ( -3.490 -0.416 5.747) 6.737 15.939 ( -1.146 -6.536 6.362) 9.193 15.980 ( -3.521 -5.338 -5.757) 8.605 16.561 ( -4.501 10.860 20.124) 23.306 16.765 ( -1.422 -7.515 19.021) 20.501 17.199 ( 3.606 5.841 8.244) 10.728 17.326 ( 6.740 -4.516 6.949) 10.682 17.622 ( -1.296 6.074 9.956) 11.735 17.721 ( 0.641 -1.089 15.406) 15.457 17.773 ( 2.295 1.381 14.145) 14.396 17.884 ( 1.192 -8.090 -3.004) 8.712 19.305 ( -1.807 5.964 -2.596) 6.751 19.415 ( -4.122 -3.269 1.790) 5.557 19.851 ( 0.944 0.665 -3.708) 3.883 19.874 ( 1.493 -1.407 -4.092) 4.577 20.198 ( -4.099 3.336 -3.054) 6.104 20.282 ( -7.042 -3.908 -1.920) 8.280 20.428 ( -0.283 3.055 -10.558) 10.994 20.509 ( 1.989 -4.192 -11.272) 12.190 20.663 ( 3.035 2.960 -1.293) 4.432 20.716 ( 4.850 -1.598 -1.580) 5.345 21.201 ( -1.834 3.990 -7.027) 8.286 21.292 ( -1.082 -3.495 -8.217) 8.995 21.836 ( -0.298 0.554 11.159) 11.177 21.896 ( -0.063 -3.778 6.005) 7.095 22.022 ( -2.705 5.825 12.082) 13.683 22.128 ( -3.586 -3.541 12.336) 13.326 22.684 ( 9.571 2.403 -7.905) 12.644 22.774 ( 10.301 -6.300 -10.046) 15.707 23.307 ( 3.526 14.028 -14.455) 20.449 23.526 ( -1.508 -5.022 -11.456) 12.599 23.751 ( -7.346 2.117 -12.412) 14.577 23.864 ( -7.350 -7.939 -18.505) 21.436 25.180 ( 0.475 4.776 -16.660) 17.337 25.274 ( -0.996 -3.294 -17.554) 17.888 26.182 ( 1.331 1.460 -19.826) 19.925 26.217 ( 0.645 -1.529 -19.635) 19.705 ======================= Grid point 135 (55/72) ======================= q-point: ( 0.33 0.33 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 1.738 1.613 -11.890) 12.124 2.553 ( -0.230 -1.582 -12.392) 12.495 4.477 ( -0.205 0.673 -10.615) 10.639 4.491 ( -0.715 -0.270 -9.792) 9.822 4.881 ( -0.574 1.368 -11.750) 11.843 4.932 ( -2.589 -2.684 -13.922) 14.412 5.911 ( -1.528 4.967 2.429) 5.737 5.957 ( -3.844 2.228 8.397) 9.500 5.991 ( -1.830 -1.441 14.015) 14.207 6.051 ( -4.807 -4.465 12.310) 13.950 6.248 ( -0.150 1.068 19.160) 19.190 6.269 ( -1.122 -0.450 17.347) 17.389 6.603 ( 2.941 3.390 19.978) 20.476 6.705 ( -0.140 -2.265 24.709) 24.813 6.942 ( 1.377 0.870 10.639) 10.763 7.067 ( -2.149 -6.092 16.199) 17.439 7.377 ( 4.242 0.787 23.391) 23.786 7.397 ( 8.017 -0.980 29.457) 30.544 7.433 ( 3.489 1.821 20.953) 21.319 7.479 ( -0.199 0.103 12.262) 12.264 7.580 ( -1.374 1.658 24.885) 24.978 7.624 ( 2.121 4.889 29.635) 30.110 7.633 ( -3.236 -1.970 19.966) 20.322 7.740 ( -0.599 0.520 23.967) 23.980 7.748 ( -2.561 -0.527 24.714) 24.852 7.791 ( -5.299 -3.710 22.685) 23.589 8.044 ( -4.468 1.051 9.495) 10.546 8.068 ( -7.010 -1.043 13.184) 14.968 8.625 ( 10.824 1.091 -7.700) 13.328 8.660 ( 11.388 -1.789 -8.839) 14.526 8.790 ( 0.145 2.934 -3.537) 4.597 8.846 ( -0.644 -1.949 -5.052) 5.453 9.248 ( 7.344 3.461 -2.582) 8.520 9.339 ( 1.690 -4.059 -2.781) 5.202 9.543 ( -0.860 4.679 1.076) 4.878 9.675 ( -0.987 -5.973 -1.716) 6.293 9.980 ( 4.191 5.133 -5.913) 8.881 10.096 ( 3.920 -3.724 -9.362) 10.811 10.215 ( -3.896 3.966 -12.424) 13.611 10.298 ( 1.725 -2.342 -9.864) 10.284 10.534 ( -8.571 1.741 -3.320) 9.355 10.549 ( 7.044 -0.619 -5.349) 8.866 10.613 ( 3.701 -1.353 -14.789) 15.305 10.717 ( -0.317 -6.285 -8.931) 10.925 11.020 ( -1.861 1.949 -3.961) 4.791 11.022 ( -7.222 -0.643 4.722) 8.653 11.233 ( -6.778 1.981 14.409) 16.046 11.259 ( -12.506 1.103 10.957) 16.663 11.411 ( -3.553 6.186 -11.380) 13.431 11.527 ( -4.593 -3.258 -9.102) 10.703 11.715 ( -4.919 7.099 -7.465) 11.415 11.875 ( -8.035 -6.263 -9.090) 13.653 12.134 ( 0.467 2.419 -14.331) 14.541 12.168 ( -0.738 -0.416 -16.102) 16.124 12.324 ( 4.104 -2.476 4.290) 6.433 12.364 ( 2.488 -5.167 7.739) 9.633 12.569 ( 8.656 2.767 1.689) 9.243 12.604 ( 4.601 -0.948 -0.150) 4.700 12.641 ( 6.958 3.250 3.867) 8.598 12.719 ( 4.201 -2.503 6.483) 8.120 12.858 ( 2.600 5.493 12.579) 13.970 13.020 ( 3.774 -6.721 1.988) 7.960 13.081 ( -5.808 5.864 14.157) 16.388 13.189 ( -0.742 -4.324 5.848) 7.311 13.326 ( 7.899 4.559 12.015) 15.085 13.457 ( -4.188 -6.240 17.475) 19.022 13.596 ( -4.472 0.014 5.488) 7.079 13.645 ( -3.366 -4.335 5.187) 7.552 13.985 ( 5.050 6.198 18.732) 20.367 14.047 ( 1.353 1.324 30.122) 30.182 14.201 ( 8.531 -0.813 31.544) 32.688 14.215 ( 2.223 -1.454 30.323) 30.439 14.375 ( -7.375 2.682 31.884) 32.836 14.438 ( -8.021 -2.662 24.777) 26.178 14.542 ( -0.233 2.774 10.825) 11.177 14.593 ( 1.483 -1.780 16.125) 16.290 14.755 ( 5.463 -1.936 23.869) 24.563 14.785 ( 2.380 -3.575 20.844) 21.282 15.078 ( -0.780 2.717 9.021) 9.454 15.132 ( -3.174 -1.603 8.112) 8.857 15.288 ( 4.152 8.724 11.761) 15.220 15.381 ( -2.208 -2.092 12.652) 13.012 15.489 ( 1.680 3.252 8.625) 9.369 15.574 ( -3.562 0.148 6.175) 7.130 15.932 ( 2.299 -1.588 4.664) 5.436 15.981 ( 3.990 -7.675 16.843) 18.934 16.447 ( -7.256 9.648 16.728) 20.629 16.634 ( -12.326 -6.855 16.152) 21.443 17.295 ( 6.194 5.042 7.053) 10.655 17.414 ( 1.822 -4.889 7.005) 8.735 17.666 ( 4.707 2.938 5.862) 8.072 17.728 ( 0.244 -2.281 11.441) 11.669 17.824 ( 3.469 3.377 13.033) 13.904 17.908 ( 0.932 -3.865 2.528) 4.712 19.272 ( -1.307 3.019 0.120) 3.292 19.333 ( -4.284 -2.076 2.925) 5.587 19.885 ( 3.006 0.490 -3.041) 4.303 19.901 ( 1.940 -0.921 -1.670) 2.721 20.085 ( -7.212 1.373 -1.310) 7.457 20.115 ( -9.466 -1.179 -0.204) 9.542 20.511 ( 7.091 1.660 -10.791) 13.018 20.558 ( 3.347 -2.209 -8.094) 9.033 20.700 ( 0.133 2.180 -7.770) 8.071 20.755 ( -1.043 -2.313 -5.819) 6.348 21.197 ( 1.757 2.813 -7.243) 7.966 21.273 ( -0.890 -3.705 -9.251) 10.005 21.840 ( 0.825 2.094 12.551) 12.751 21.896 ( 0.073 -1.809 13.653) 13.773 21.954 ( -3.744 4.174 8.164) 9.904 22.039 ( -5.577 -2.833 12.797) 14.244 22.924 ( 15.501 2.688 -9.483) 18.370 23.017 ( 14.898 -5.906 -11.448) 19.695 23.383 ( 3.824 8.147 -14.531) 17.093 23.470 ( -5.305 -0.689 -11.005) 12.236 23.573 ( -10.772 1.823 -12.596) 16.674 23.685 ( -11.134 -6.874 -18.627) 22.764 25.194 ( 1.081 2.674 -16.716) 16.963 25.250 ( -1.621 -2.013 -17.291) 17.483 26.209 ( 1.463 0.781 -19.448) 19.518 26.229 ( 0.444 -0.854 -19.345) 19.369 ======================= Grid point 136 (56/72) ======================= q-point: (-0.50 0.33 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -1.066 0.033 -12.260) 12.306 2.541 ( 1.066 0.033 -12.260) 12.306 4.479 ( -0.438 0.511 -10.733) 10.754 4.479 ( 0.438 0.511 -10.733) 10.754 4.890 ( -1.575 -1.177 -13.030) 13.178 4.890 ( 1.575 -1.177 -13.030) 13.178 5.901 ( -1.315 4.052 12.191) 12.914 5.901 ( 1.315 4.052 12.191) 12.914 5.994 ( -1.649 -3.535 5.504) 6.745 5.994 ( 1.649 -3.535 5.504) 6.745 6.253 ( -0.619 0.156 18.832) 18.842 6.253 ( 0.619 0.156 18.832) 18.842 6.667 ( -3.480 4.061 21.583) 22.236 6.667 ( 3.480 4.061 21.583) 22.236 7.001 ( -4.389 -6.457 13.192) 15.329 7.001 ( 4.389 -6.457 13.192) 15.329 7.442 ( -3.164 2.900 14.536) 15.157 7.442 ( 3.164 2.900 14.536) 15.157 7.492 ( -1.274 -1.587 27.539) 27.614 7.492 ( 1.274 -1.587 27.539) 27.614 7.594 ( -1.712 0.412 33.606) 33.652 7.594 ( 1.712 0.412 33.606) 33.652 7.657 ( -3.667 2.025 19.277) 19.726 7.657 ( 3.667 2.025 19.277) 19.726 7.750 ( -3.015 -1.230 29.835) 30.012 7.750 ( 3.015 -1.230 29.835) 30.012 7.989 ( -0.028 -0.180 7.404) 7.406 7.989 ( 0.029 -0.180 7.404) 7.406 8.769 ( -3.206 0.719 -10.128) 10.648 8.769 ( 3.206 0.719 -10.128) 10.648 8.796 ( -4.394 -0.438 -7.573) 8.766 8.796 ( 4.394 -0.438 -7.573) 8.766 9.340 ( -1.515 0.989 -1.647) 2.446 9.340 ( 1.515 0.989 -1.647) 2.446 9.604 ( -6.410 -2.082 0.491) 6.757 9.604 ( 6.410 -2.082 0.491) 6.758 10.077 ( -6.961 5.474 -5.859) 10.619 10.077 ( 6.961 5.474 -5.859) 10.619 10.216 ( -7.890 -4.847 -12.065) 15.208 10.216 ( 7.890 -4.847 -12.065) 15.208 10.597 ( -8.702 -0.363 -6.163) 10.669 10.597 ( 8.702 -0.363 -6.163) 10.670 10.687 ( -6.178 -3.698 -7.418) 10.338 10.687 ( 6.178 -3.698 -7.418) 10.338 10.958 ( -4.135 1.924 2.025) 4.990 10.958 ( 4.135 1.924 2.025) 4.990 11.117 ( -3.087 -0.671 1.267) 3.404 11.117 ( 3.087 -0.671 1.267) 3.404 11.416 ( -4.300 6.953 -12.832) 15.216 11.416 ( 4.300 6.953 -12.832) 15.216 11.752 ( -5.273 -1.657 -4.724) 7.271 11.752 ( 5.273 -1.657 -4.724) 7.271 12.153 ( -1.058 0.659 -14.719) 14.772 12.153 ( 1.058 0.659 -14.719) 14.772 12.369 ( -1.153 -3.927 10.148) 10.942 12.369 ( 1.153 -3.927 10.148) 10.942 12.696 ( -1.838 2.388 2.129) 3.690 12.696 ( 1.838 2.388 2.129) 3.690 12.715 ( -4.330 0.100 8.600) 9.629 12.715 ( 4.330 0.100 8.600) 9.629 12.926 ( -6.163 2.794 9.102) 11.342 12.926 ( 6.163 2.794 9.102) 11.342 13.122 ( -4.948 -5.555 5.282) 9.123 13.122 ( 4.948 -5.555 5.282) 9.123 13.474 ( -0.492 -1.172 8.690) 8.783 13.474 ( 0.492 -1.172 8.690) 8.783 13.526 ( -5.018 0.290 12.912) 13.856 13.526 ( 5.018 0.290 12.912) 13.856 14.062 ( -0.885 2.614 32.696) 32.812 14.062 ( 0.885 2.614 32.696) 32.812 14.250 ( -0.280 0.808 25.771) 25.785 14.250 ( 0.280 0.808 25.771) 25.785 14.337 ( -4.239 -0.509 25.604) 25.958 14.337 ( 4.239 -0.509 25.604) 25.958 14.550 ( -4.824 -1.110 17.371) 18.063 14.550 ( 4.824 -1.110 17.371) 18.063 14.827 ( -0.819 -0.851 22.114) 22.146 14.827 ( 0.819 -0.851 22.114) 22.146 15.077 ( -2.077 -1.044 0.247) 2.338 15.077 ( 2.077 -1.044 0.247) 2.338 15.342 ( -2.317 0.937 13.016) 13.254 15.342 ( 2.317 0.937 13.016) 13.254 15.521 ( -2.015 2.961 3.660) 5.121 15.521 ( 2.015 2.961 3.660) 5.121 16.023 ( -3.654 -0.416 18.704) 19.062 16.023 ( 3.654 -0.416 18.704) 19.062 16.410 ( -7.430 -1.550 13.208) 15.234 16.410 ( 7.430 -1.550 13.208) 15.234 17.394 ( -3.732 1.224 6.710) 7.774 17.394 ( 3.732 1.224 6.710) 7.774 17.723 ( -1.237 -2.287 8.698) 9.078 17.723 ( 1.237 -2.287 8.698) 9.078 17.893 ( -2.936 1.548 6.937) 7.690 17.893 ( 2.936 1.548 6.937) 7.690 19.274 ( -1.773 -0.113 2.804) 3.320 19.274 ( 1.773 -0.113 2.804) 3.320 19.962 ( -3.423 0.119 -0.447) 3.454 19.962 ( 3.423 0.119 -0.447) 3.454 19.971 ( -3.993 -0.029 -1.869) 4.409 19.971 ( 3.994 -0.029 -1.869) 4.409 20.607 ( -0.751 0.290 -7.092) 7.137 20.607 ( 0.751 0.290 -7.092) 7.137 20.700 ( -2.751 -0.707 -10.291) 10.676 20.700 ( 2.751 -0.707 -10.291) 10.676 21.245 ( -2.495 -0.476 -9.327) 9.667 21.245 ( 2.495 -0.476 -9.327) 9.667 21.870 ( -2.399 2.920 16.673) 17.095 21.870 ( 2.399 2.920 16.673) 17.095 21.950 ( -3.344 -1.885 8.882) 9.676 21.950 ( 3.344 -1.885 8.882) 9.676 23.190 ( -7.955 0.601 -10.740) 13.379 23.190 ( 7.955 0.601 -10.740) 13.379 23.352 ( -6.067 -1.284 -11.840) 13.365 23.352 ( 6.067 -1.284 -11.840) 13.365 23.519 ( -5.735 0.333 -16.915) 17.864 23.519 ( 5.735 0.333 -16.915) 17.864 25.219 ( -1.596 0.131 -16.946) 17.022 25.219 ( 1.596 0.131 -16.946) 17.022 26.229 ( -0.544 -0.038 -19.237) 19.245 26.229 ( 0.544 -0.038 -19.237) 19.245 ======================= Grid point 147 (57/72) ======================= q-point: ( 0.00 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 0.000 0.000 -8.349) 8.349 2.333 ( 0.000 0.000 -12.188) 12.188 4.211 ( 0.000 0.000 -13.201) 13.201 4.285 ( 0.000 0.000 -16.310) 16.310 4.532 ( 0.000 0.000 -27.447) 27.447 4.591 ( 0.000 0.000 -14.958) 14.958 5.794 ( 0.000 0.000 -3.637) 3.637 5.818 ( 0.000 0.000 -11.247) 11.247 6.565 ( 0.000 0.000 12.896) 12.896 6.573 ( 0.000 0.000 11.239) 11.239 6.675 ( 0.000 0.000 19.625) 19.625 6.701 ( 0.000 0.000 21.059) 21.059 7.002 ( 0.000 0.000 10.500) 10.500 7.039 ( 0.000 0.000 20.509) 20.509 7.284 ( 0.000 0.000 11.289) 11.289 7.494 ( 0.000 0.000 16.088) 16.088 7.527 ( 0.000 0.000 21.946) 21.946 7.608 ( 0.000 0.000 6.809) 6.809 7.758 ( 0.000 0.000 25.185) 25.185 7.818 ( 0.000 0.000 6.085) 6.085 7.912 ( 0.000 0.000 11.853) 11.853 7.937 ( 0.000 0.000 19.647) 19.647 7.979 ( 0.000 0.000 22.819) 22.819 8.001 ( 0.000 0.000 7.133) 7.133 8.201 ( 0.000 0.000 -5.611) 5.611 8.309 ( 0.000 0.000 22.318) 22.318 8.344 ( 0.000 0.000 8.832) 8.832 8.440 ( 0.000 0.000 26.776) 26.776 8.582 ( 0.000 0.000 5.136) 5.136 8.796 ( 0.000 0.000 1.855) 1.855 8.799 ( 0.000 0.000 27.232) 27.232 8.856 ( 0.000 0.000 0.777) 0.777 9.071 ( 0.000 0.000 12.071) 12.071 9.127 ( 0.000 0.000 -7.183) 7.183 9.499 ( 0.000 0.000 2.392) 2.392 9.597 ( 0.000 0.000 -4.295) 4.295 9.675 ( 0.000 0.000 -7.957) 7.957 9.731 ( 0.000 0.000 -12.299) 12.299 10.010 ( 0.000 0.000 -9.039) 9.039 10.206 ( 0.000 0.000 -2.015) 2.015 10.314 ( 0.000 0.000 -16.888) 16.888 10.374 ( 0.000 0.000 -17.036) 17.036 10.444 ( 0.000 0.000 -21.954) 21.954 10.618 ( 0.000 0.000 -15.386) 15.386 10.929 ( 0.000 0.000 10.136) 10.136 10.985 ( 0.000 0.000 -4.912) 4.912 11.272 ( 0.000 0.000 1.633) 1.633 11.410 ( 0.000 0.000 -31.930) 31.930 11.464 ( 0.000 0.000 -2.456) 2.456 11.471 ( 0.000 0.000 -29.998) 29.998 11.633 ( 0.000 0.000 -25.294) 25.294 11.697 ( 0.000 0.000 -25.535) 25.535 11.910 ( 0.000 0.000 -17.062) 17.062 11.973 ( 0.000 0.000 -16.706) 16.706 12.134 ( 0.000 0.000 0.731) 0.731 12.269 ( 0.000 0.000 -3.088) 3.088 12.429 ( 0.000 0.000 4.408) 4.408 12.504 ( 0.000 0.000 -7.894) 7.894 12.507 ( 0.000 0.000 -1.681) 1.681 12.578 ( 0.000 0.000 24.503) 24.503 13.058 ( 0.000 0.000 11.035) 11.035 13.069 ( 0.000 0.000 26.529) 26.529 13.069 ( 0.000 0.000 4.028) 4.028 13.493 ( 0.000 0.000 1.075) 1.075 13.600 ( 0.000 0.000 9.249) 9.249 13.820 ( 0.000 0.000 31.951) 31.951 13.991 ( 0.000 0.000 15.902) 15.902 13.994 ( 0.000 0.000 5.247) 5.247 14.115 ( 0.000 0.000 -0.632) 0.632 14.254 ( 0.000 0.000 2.846) 2.846 14.359 ( 0.000 0.000 17.894) 17.894 14.409 ( 0.000 0.000 0.976) 0.976 14.616 ( 0.000 0.000 0.859) 0.859 14.783 ( 0.000 0.000 33.954) 33.954 14.996 ( 0.000 0.000 4.209) 4.209 15.024 ( 0.000 0.000 11.013) 11.013 15.181 ( 0.000 0.000 21.744) 21.744 15.298 ( 0.000 0.000 19.564) 19.564 15.517 ( 0.000 0.000 33.757) 33.757 15.534 ( 0.000 0.000 21.654) 21.654 15.584 ( 0.000 0.000 5.546) 5.546 15.673 ( 0.000 0.000 20.402) 20.402 15.942 ( 0.000 0.000 -0.824) 0.824 16.018 ( 0.000 0.000 31.965) 31.965 16.087 ( 0.000 0.000 -3.367) 3.367 16.137 ( 0.000 0.000 30.535) 30.535 16.884 ( 0.000 0.000 12.259) 12.259 16.948 ( 0.000 0.000 -1.529) 1.529 17.246 ( 0.000 0.000 -0.726) 0.726 17.258 ( 0.000 0.000 5.947) 5.947 17.770 ( 0.000 0.000 6.285) 6.285 17.842 ( 0.000 0.000 -6.986) 6.986 18.086 ( 0.000 0.000 14.813) 14.813 18.329 ( 0.000 0.000 30.572) 30.572 19.069 ( 0.000 0.000 -8.073) 8.073 19.373 ( 0.000 0.000 -11.316) 11.316 19.756 ( 0.000 0.000 -4.330) 4.330 19.810 ( 0.000 0.000 -2.423) 2.423 20.112 ( 0.000 0.000 -2.037) 2.037 20.143 ( 0.000 0.000 -14.432) 14.432 20.327 ( 0.000 0.000 -3.849) 3.849 20.487 ( 0.000 0.000 -0.369) 0.369 20.623 ( 0.000 0.000 0.672) 0.672 20.624 ( 0.000 0.000 -2.875) 2.875 21.017 ( 0.000 0.000 -7.256) 7.256 21.211 ( 0.000 0.000 -6.128) 6.128 22.106 ( 0.000 0.000 14.755) 14.755 22.178 ( 0.000 0.000 18.590) 18.590 22.281 ( 0.000 0.000 6.402) 6.402 22.555 ( 0.000 0.000 12.954) 12.954 22.610 ( 0.000 0.000 17.002) 17.002 22.611 ( 0.000 0.000 0.109) 0.109 22.789 ( 0.000 0.000 -7.746) 7.746 23.443 ( 0.000 0.000 -5.927) 5.927 23.622 ( 0.000 0.000 -6.848) 6.848 23.667 ( 0.000 0.000 -15.836) 15.836 24.719 ( 0.000 0.000 -20.984) 20.984 24.913 ( 0.000 0.000 -21.839) 21.839 25.699 ( 0.000 0.000 -23.330) 23.330 25.800 ( 0.000 0.000 -22.085) 22.085 ======================= Grid point 148 (58/72) ======================= q-point: ( 0.17 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 1.179 0.000 -8.754) 8.833 2.332 ( -0.198 0.000 -11.942) 11.944 4.206 ( -0.467 0.000 -13.397) 13.405 4.265 ( -2.009 0.000 -16.269) 16.392 4.530 ( -0.171 0.000 -26.265) 26.266 4.580 ( -1.135 0.000 -15.258) 15.300 5.797 ( 0.278 0.000 -3.721) 3.732 5.816 ( -0.195 0.000 -10.178) 10.180 6.557 ( -1.545 0.000 14.106) 14.190 6.569 ( -0.428 0.000 11.445) 11.453 6.621 ( -6.347 0.000 21.725) 22.633 6.637 ( -3.865 0.000 20.936) 21.290 6.976 ( -5.294 0.000 15.532) 16.409 6.985 ( -0.944 0.000 7.075) 7.137 7.333 ( 3.978 0.000 14.221) 14.767 7.426 ( -6.784 0.000 22.106) 23.124 7.588 ( -0.997 0.000 9.576) 9.628 7.642 ( 12.829 0.000 13.570) 18.674 7.817 ( 1.051 0.000 3.926) 4.064 7.863 ( 1.555 0.000 25.746) 25.793 7.873 ( 1.536 0.000 11.717) 11.818 7.932 ( -0.340 0.000 18.307) 18.310 7.992 ( 2.039 0.000 23.294) 23.383 8.121 ( 9.603 0.000 9.256) 13.338 8.235 ( 2.397 0.000 -3.129) 3.942 8.305 ( -3.252 0.000 10.274) 10.776 8.324 ( 2.442 0.000 20.456) 20.601 8.451 ( 0.184 0.000 28.754) 28.754 8.574 ( -0.538 0.000 10.833) 10.846 8.759 ( -3.007 0.000 0.465) 3.042 8.790 ( -1.506 0.000 25.295) 25.339 8.845 ( -1.637 0.000 -0.137) 1.643 9.088 ( 3.617 0.000 8.682) 9.406 9.227 ( 8.477 0.000 -8.588) 12.067 9.477 ( -2.756 0.000 2.339) 3.614 9.594 ( -0.079 0.000 -4.811) 4.812 9.691 ( 3.175 0.000 -9.936) 10.430 9.799 ( 5.971 0.000 -11.127) 12.628 10.024 ( 0.858 0.000 -8.173) 8.218 10.163 ( -12.399 0.000 -17.218) 21.218 10.233 ( 3.141 0.000 -4.318) 5.339 10.358 ( 0.463 0.000 -12.462) 12.470 10.380 ( -6.999 0.000 -20.824) 21.969 10.583 ( -3.089 0.000 -16.075) 16.369 10.894 ( -0.085 0.000 5.764) 5.764 11.093 ( 2.690 0.000 -5.593) 6.206 11.245 ( -4.405 0.000 -0.330) 4.418 11.311 ( -9.778 0.000 -28.926) 30.534 11.475 ( 3.734 0.000 -2.126) 4.297 11.481 ( -0.815 0.000 -24.747) 24.761 11.653 ( 0.082 0.000 -21.254) 21.254 11.723 ( 3.568 0.000 -22.009) 22.296 11.902 ( -19.671 0.000 -1.549) 19.732 11.945 ( 4.770 0.000 -17.172) 17.823 11.996 ( -19.617 0.000 0.422) 19.621 12.074 ( 8.874 0.000 -20.711) 22.532 12.381 ( -5.191 0.000 -2.744) 5.872 12.457 ( 0.712 0.000 1.882) 2.012 12.537 ( 3.836 0.000 -5.861) 7.005 12.831 ( 15.969 0.000 20.755) 26.187 13.040 ( 2.058 0.000 7.410) 7.691 13.204 ( 9.552 0.000 9.604) 13.546 13.241 ( 11.784 0.000 19.220) 22.545 13.496 ( 1.249 0.000 8.012) 8.109 13.580 ( -10.595 0.000 12.420) 16.325 13.736 ( -5.170 0.000 7.488) 9.099 13.881 ( 4.167 0.000 16.137) 16.666 14.046 ( -3.211 0.000 14.364) 14.718 14.085 ( -2.805 0.000 10.445) 10.815 14.359 ( 8.708 0.000 -2.004) 8.935 14.394 ( 1.751 0.000 13.640) 13.752 14.525 ( 12.817 0.000 6.924) 14.567 14.614 ( 0.784 0.000 0.991) 1.264 14.824 ( 3.644 0.000 33.267) 33.466 14.943 ( -1.513 0.000 5.731) 5.927 15.089 ( 2.564 0.000 9.181) 9.532 15.210 ( -0.239 0.000 19.641) 19.643 15.350 ( 6.110 0.000 19.199) 20.148 15.426 ( -8.866 0.000 33.127) 34.293 15.482 ( -5.639 0.000 25.198) 25.821 15.549 ( -6.054 0.000 19.200) 20.131 15.564 ( -3.943 0.000 9.292) 10.094 15.914 ( 0.027 0.000 -1.058) 1.058 15.994 ( -2.916 0.000 30.853) 30.990 16.102 ( -3.916 0.000 28.002) 28.274 16.229 ( 10.246 0.000 -0.809) 10.277 16.725 ( -11.455 0.000 10.919) 15.825 16.960 ( -4.396 0.000 -2.681) 5.149 17.257 ( 3.509 0.000 3.992) 5.315 17.372 ( 9.161 0.000 -0.343) 9.168 17.724 ( -4.128 0.000 7.505) 8.566 17.825 ( -2.007 0.000 -6.673) 6.969 18.107 ( 2.317 0.000 15.772) 15.942 18.333 ( 0.101 0.000 28.511) 28.511 19.091 ( 2.405 0.000 -7.409) 7.790 19.350 ( -1.956 0.000 -9.270) 9.474 19.762 ( 1.520 0.000 -3.176) 3.520 19.881 ( 5.959 0.000 -1.568) 6.161 20.098 ( -1.660 0.000 -1.486) 2.228 20.179 ( 3.205 0.000 -10.286) 10.774 20.346 ( 2.770 0.000 -9.535) 9.930 20.349 ( -10.615 0.000 1.883) 10.781 20.583 ( -3.365 0.000 -2.176) 4.007 20.686 ( 1.632 0.000 -3.781) 4.118 21.004 ( -1.068 0.000 -7.287) 7.364 21.172 ( -3.499 0.000 -7.304) 8.099 22.120 ( 1.448 0.000 15.257) 15.326 22.163 ( -1.099 0.000 18.931) 18.962 22.348 ( 4.887 0.000 14.945) 15.723 22.548 ( -1.998 0.000 23.136) 23.222 22.592 ( 1.549 0.000 6.048) 6.244 22.680 ( 8.124 0.000 -9.764) 12.702 22.877 ( 7.655 0.000 -4.982) 9.134 23.409 ( -3.697 0.000 -6.184) 7.205 23.551 ( -7.401 0.000 -7.027) 10.205 23.595 ( -7.472 0.000 -15.604) 17.301 24.733 ( 1.530 0.000 -21.026) 21.082 24.900 ( -1.349 0.000 -21.851) 21.893 25.721 ( 2.227 0.000 -22.966) 23.074 25.806 ( 0.580 0.000 -21.934) 21.942 ======================= Grid point 149 (59/72) ======================= q-point: ( 0.33 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 1.704 0.000 -9.674) 9.823 2.324 ( -0.716 0.000 -11.357) 11.379 4.197 ( -0.379 0.000 -13.935) 13.940 4.224 ( -2.037 0.000 -15.753) 15.884 4.528 ( 0.023 0.000 -23.298) 23.298 4.555 ( -1.370 0.000 -16.679) 16.736 5.802 ( 0.219 0.000 -4.090) 4.096 5.811 ( -0.345 0.000 -7.682) 7.690 6.475 ( -4.256 0.000 21.779) 22.191 6.534 ( -4.785 0.000 18.919) 19.515 6.574 ( -0.435 0.000 14.165) 14.171 6.574 ( -0.917 0.000 15.986) 16.013 6.899 ( -2.139 0.000 11.638) 11.833 6.959 ( -2.472 0.000 8.907) 9.244 7.348 ( -1.004 0.000 12.862) 12.901 7.387 ( 1.084 0.000 10.455) 10.511 7.602 ( 2.680 0.000 14.124) 14.376 7.776 ( -5.465 0.000 16.521) 17.401 7.834 ( 0.337 0.000 1.803) 1.834 7.854 ( 4.949 0.000 11.908) 12.896 7.943 ( 6.430 0.000 15.832) 17.088 7.971 ( 5.138 0.000 21.497) 22.103 8.093 ( 6.806 0.000 28.611) 29.410 8.210 ( -1.171 0.000 13.194) 13.246 8.239 ( -4.155 0.000 14.494) 15.077 8.278 ( 1.466 0.000 19.135) 19.191 8.409 ( 5.298 0.000 10.030) 11.344 8.448 ( 0.524 0.000 31.152) 31.156 8.571 ( 1.412 0.000 5.651) 5.825 8.715 ( -1.458 0.000 0.297) 1.488 8.755 ( -1.831 0.000 23.181) 23.254 8.784 ( -5.194 0.000 -2.350) 5.701 9.199 ( 6.571 0.000 2.395) 6.994 9.379 ( 8.294 0.000 -10.028) 13.014 9.395 ( -5.718 0.000 2.177) 6.118 9.597 ( -0.069 0.000 -7.016) 7.016 9.804 ( 7.454 0.000 -14.750) 16.526 9.867 ( 0.264 0.000 -7.368) 7.373 9.996 ( -5.000 0.000 -5.469) 7.410 10.104 ( 10.193 0.000 -13.107) 16.604 10.191 ( -12.241 0.000 -17.840) 21.635 10.332 ( 6.888 0.000 -10.843) 12.845 10.395 ( 3.558 0.000 -12.858) 13.342 10.538 ( -1.957 0.000 -16.019) 16.138 10.926 ( 2.939 0.000 -3.075) 4.254 11.009 ( -9.413 0.000 -9.379) 13.288 11.068 ( -15.605 0.000 -23.783) 28.446 11.182 ( 0.055 0.000 5.188) 5.189 11.310 ( -19.225 0.000 -1.646) 19.295 11.479 ( -12.302 0.000 -1.694) 12.419 11.562 ( 4.196 0.000 -4.926) 6.471 11.723 ( -8.505 0.000 -9.619) 12.839 11.768 ( 1.740 0.000 -20.913) 20.985 11.790 ( 2.300 0.000 -18.221) 18.366 12.103 ( 10.784 0.000 -20.385) 23.062 12.245 ( 9.220 0.000 -21.484) 23.379 12.306 ( -2.749 0.000 -9.843) 10.219 12.470 ( -0.790 0.000 -7.960) 7.999 12.654 ( 9.013 0.000 -0.269) 9.017 13.063 ( 4.893 0.000 19.611) 20.212 13.118 ( 5.945 0.000 8.988) 10.776 13.278 ( -12.029 0.000 13.890) 18.375 13.349 ( -0.689 0.000 9.148) 9.174 13.367 ( 6.243 0.000 14.329) 15.629 13.561 ( 5.907 0.000 14.280) 15.453 13.760 ( 0.997 0.000 12.869) 12.908 13.848 ( -4.134 0.000 1.204) 4.305 13.981 ( -7.343 0.000 9.384) 11.916 14.145 ( 11.532 0.000 23.242) 25.946 14.431 ( 4.152 0.000 6.371) 7.604 14.526 ( 8.160 0.000 -4.023) 9.097 14.587 ( -5.038 0.000 2.518) 5.632 14.820 ( 16.027 0.000 18.367) 24.376 14.893 ( 4.207 0.000 34.608) 34.863 14.949 ( 0.944 0.000 5.730) 5.808 15.091 ( -1.411 0.000 16.917) 16.976 15.134 ( -6.605 0.000 12.908) 14.500 15.235 ( -10.546 0.000 27.740) 29.677 15.342 ( -8.869 0.000 28.319) 29.675 15.363 ( -6.176 0.000 11.653) 13.189 15.530 ( 5.252 0.000 21.783) 22.408 15.621 ( 10.476 0.000 18.289) 21.077 15.897 ( -7.972 0.000 27.883) 29.000 15.998 ( -7.325 0.000 24.895) 25.950 16.015 ( 11.428 0.000 3.486) 11.948 16.389 ( 7.055 0.000 -1.093) 7.139 16.515 ( -11.182 0.000 9.588) 14.730 16.770 ( -14.727 0.000 -5.189) 15.615 17.364 ( 7.628 0.000 5.011) 9.127 17.552 ( 9.431 0.000 -4.249) 10.344 17.637 ( -5.570 0.000 7.987) 9.738 17.774 ( -3.423 0.000 -6.909) 7.710 18.169 ( 4.342 0.000 18.089) 18.603 18.318 ( -2.067 0.000 24.265) 24.353 19.155 ( 4.397 0.000 -5.950) 7.399 19.310 ( -2.727 0.000 -6.373) 6.932 19.829 ( 5.792 0.000 -0.061) 5.792 19.959 ( 2.065 0.000 2.572) 3.298 20.047 ( -3.845 0.000 0.365) 3.862 20.156 ( -9.914 0.000 2.849) 10.315 20.278 ( 8.285 0.000 -10.234) 13.167 20.420 ( 4.258 0.000 -12.664) 13.361 20.513 ( -3.826 0.000 -3.330) 5.072 20.641 ( -6.199 0.000 -8.395) 10.436 20.998 ( 0.985 0.000 -8.415) 8.473 21.107 ( -3.496 0.000 -9.549) 10.168 22.150 ( 1.345 0.000 17.252) 17.304 22.152 ( -0.022 0.000 19.736) 19.736 22.385 ( 0.546 0.000 26.901) 26.907 22.490 ( -3.921 0.000 25.405) 25.705 22.746 ( 13.554 0.000 -5.765) 14.730 22.874 ( 11.860 0.000 -11.598) 16.588 23.032 ( 8.886 0.000 -5.677) 10.544 23.304 ( -8.080 0.000 -6.508) 10.375 23.373 ( -10.756 0.000 -7.555) 13.144 23.411 ( -11.914 0.000 -14.796) 18.996 24.771 ( 2.452 0.000 -21.185) 21.327 24.866 ( -2.302 0.000 -21.744) 21.866 25.768 ( 2.542 0.000 -22.257) 22.402 25.815 ( 0.119 0.000 -21.704) 21.704 ======================= Grid point 150 (60/72) ======================= q-point: (-0.50 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -1.412 0.000 -10.604) 10.697 2.304 ( 1.412 0.000 -10.604) 10.698 4.199 ( -0.692 0.000 -14.793) 14.809 4.199 ( 0.692 0.000 -14.793) 14.809 4.535 ( -0.757 0.000 -19.644) 19.659 4.535 ( 0.757 0.000 -19.644) 19.659 5.806 ( -0.215 0.000 -5.270) 5.274 5.806 ( 0.215 0.000 -5.270) 5.274 6.457 ( -2.256 0.000 21.675) 21.792 6.457 ( 2.256 0.000 21.675) 21.792 6.571 ( -0.077 0.000 13.867) 13.867 6.571 ( 0.077 0.000 13.867) 13.867 6.905 ( -2.438 0.000 11.092) 11.357 6.905 ( 2.438 0.000 11.092) 11.357 7.371 ( -2.186 0.000 6.916) 7.253 7.371 ( 2.186 0.000 6.916) 7.253 7.677 ( -5.087 0.000 16.985) 17.730 7.677 ( 5.087 0.000 16.985) 17.730 7.848 ( -1.452 0.000 5.401) 5.593 7.848 ( 1.452 0.000 5.401) 5.593 8.067 ( -1.056 0.000 24.333) 24.356 8.067 ( 1.057 0.000 24.333) 24.356 8.163 ( -1.710 0.000 12.016) 12.137 8.163 ( 1.710 0.000 12.016) 12.137 8.215 ( -5.340 0.000 27.791) 28.300 8.215 ( 5.340 0.000 27.791) 28.300 8.466 ( -0.299 0.000 22.299) 22.301 8.466 ( 0.299 0.000 22.299) 22.301 8.663 ( -7.224 0.000 -2.600) 7.677 8.663 ( 7.224 0.000 -2.600) 7.677 8.717 ( -1.810 0.000 10.516) 10.671 8.717 ( 1.810 0.000 10.516) 10.671 9.294 ( -4.853 0.000 -1.017) 4.958 9.294 ( 4.853 0.000 -1.017) 4.958 9.544 ( -7.256 0.000 -7.466) 10.411 9.544 ( 7.256 0.000 -7.466) 10.411 9.870 ( -5.377 0.000 -7.215) 8.998 9.870 ( 5.377 0.000 -7.215) 8.998 9.989 ( -9.464 0.000 -13.715) 16.663 9.989 ( 9.464 0.000 -13.715) 16.663 10.374 ( -10.867 0.000 -14.740) 18.313 10.374 ( 10.867 0.000 -14.740) 18.313 10.458 ( -3.338 0.000 -14.606) 14.983 10.458 ( 3.339 0.000 -14.606) 14.983 10.873 ( -0.400 0.000 -15.368) 15.373 10.873 ( 0.400 0.000 -15.368) 15.373 11.030 ( -8.886 0.000 -0.836) 8.925 11.030 ( 8.886 0.000 -0.836) 8.925 11.269 ( -9.332 0.000 5.131) 10.650 11.269 ( 9.332 0.000 5.131) 10.650 11.630 ( -3.574 0.000 -9.321) 9.983 11.630 ( 3.575 0.000 -9.321) 9.983 11.801 ( -0.914 0.000 -19.585) 19.606 11.801 ( 0.915 0.000 -19.585) 19.606 12.250 ( -4.619 0.000 -18.171) 18.749 12.250 ( 4.619 0.000 -18.171) 18.749 12.400 ( -6.836 0.000 -16.529) 17.887 12.400 ( 6.836 0.000 -16.529) 17.887 12.873 ( -14.639 0.000 6.454) 15.999 12.873 ( 14.639 0.000 6.454) 15.999 13.237 ( -5.714 0.000 13.126) 14.316 13.237 ( 5.714 0.000 13.126) 14.316 13.359 ( -5.632 0.000 16.525) 17.459 13.359 ( 5.632 0.000 16.525) 17.459 13.699 ( -7.350 0.000 12.069) 14.131 13.699 ( 7.350 0.000 12.069) 14.131 13.854 ( -4.887 0.000 7.004) 8.540 13.854 ( 4.887 0.000 7.004) 8.540 14.380 ( -12.552 0.000 13.115) 18.154 14.380 ( 12.552 0.000 13.115) 18.154 14.571 ( -4.465 0.000 0.082) 4.466 14.571 ( 4.465 0.000 0.082) 4.466 14.954 ( -0.254 0.000 21.519) 21.521 14.954 ( 0.254 0.000 21.519) 21.521 15.056 ( -4.541 0.000 16.366) 16.984 15.056 ( 4.541 0.000 16.366) 16.984 15.074 ( -7.604 0.000 26.212) 27.293 15.074 ( 7.604 0.000 26.212) 27.293 15.246 ( -2.813 0.000 14.797) 15.062 15.246 ( 2.813 0.000 14.797) 15.062 15.708 ( -11.753 0.000 23.563) 26.331 15.708 ( 11.753 0.000 23.563) 26.331 15.830 ( -10.897 0.000 23.372) 25.787 15.830 ( 10.897 0.000 23.372) 25.787 16.283 ( -15.198 0.000 5.292) 16.093 16.283 ( 15.198 0.000 5.292) 16.093 16.524 ( -9.626 0.000 -2.574) 9.964 16.524 ( 9.626 0.000 -2.574) 9.964 17.512 ( -7.858 0.000 6.164) 9.987 17.512 ( 7.859 0.000 6.164) 9.987 17.693 ( -5.762 0.000 -6.330) 8.560 17.693 ( 5.762 0.000 -6.330) 8.560 18.255 ( -4.509 0.000 20.703) 21.188 18.255 ( 4.509 0.000 20.703) 21.188 19.242 ( -4.604 0.000 -5.154) 6.911 19.242 ( 4.604 0.000 -5.154) 6.911 19.956 ( -6.736 0.000 1.884) 6.995 19.956 ( 6.736 0.000 1.884) 6.995 20.007 ( -4.964 0.000 3.099) 5.852 20.007 ( 4.964 0.000 3.099) 5.852 20.437 ( -6.290 0.000 -8.089) 10.247 20.437 ( 6.290 0.000 -8.089) 10.247 20.501 ( -6.558 0.000 -10.553) 12.425 20.501 ( 6.558 0.000 -10.553) 12.425 21.042 ( -3.392 0.000 -10.186) 10.736 21.042 ( 3.392 0.000 -10.186) 10.736 22.158 ( -0.346 0.000 19.324) 19.327 22.158 ( 0.346 0.000 19.324) 19.327 22.419 ( -3.281 0.000 27.187) 27.384 22.419 ( 3.281 0.000 27.187) 27.384 22.989 ( -7.994 0.000 -8.403) 11.598 22.989 ( 7.994 0.000 -8.403) 11.598 23.182 ( -2.706 0.000 -8.241) 8.674 23.182 ( 2.706 0.000 -8.241) 8.674 23.218 ( -0.347 0.000 -10.518) 10.523 23.218 ( 0.347 0.000 -10.518) 10.523 24.819 ( -2.690 0.000 -21.467) 21.634 24.819 ( 2.690 0.000 -21.467) 21.634 25.805 ( -1.292 0.000 -21.765) 21.803 25.805 ( 1.292 0.000 -21.765) 21.803 ======================= Grid point 154 (61/72) ======================= q-point: ( 0.00 0.33 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.000 2.021 -9.337) 9.553 2.308 ( 0.000 -2.068 -11.255) 11.444 4.229 ( 0.000 1.540 -13.659) 13.745 4.266 ( 0.000 -1.574 -15.170) 15.252 4.549 ( 0.000 1.367 -24.829) 24.867 4.579 ( 0.000 -1.101 -18.628) 18.660 5.801 ( 0.000 0.561 -5.396) 5.425 5.813 ( 0.000 -0.434 -9.211) 9.222 6.568 ( 0.000 0.233 12.060) 12.062 6.572 ( 0.000 -0.114 11.325) 11.326 6.680 ( 0.000 0.553 19.016) 19.024 6.698 ( 0.000 -0.714 18.727) 18.740 6.986 ( 0.000 3.827 19.332) 19.707 7.143 ( 0.000 -9.050 17.830) 19.995 7.216 ( 0.000 10.728 15.230) 18.629 7.431 ( 0.000 -7.171 17.451) 18.867 7.607 ( 0.000 3.909 12.112) 12.727 7.670 ( 0.000 5.827 9.823) 11.422 7.701 ( 0.000 -4.391 18.017) 18.545 7.775 ( 0.000 -3.528 7.742) 8.508 7.859 ( 0.000 -1.335 18.894) 18.941 7.891 ( 0.000 -2.226 16.239) 16.391 8.028 ( 0.000 3.112 6.466) 7.175 8.097 ( 0.000 6.303 22.121) 23.001 8.127 ( 0.000 -5.464 0.711) 5.510 8.236 ( 0.000 -5.871 22.633) 23.382 8.362 ( 0.000 1.353 8.084) 8.196 8.396 ( 0.000 -1.929 11.929) 12.084 8.678 ( 0.000 5.601 17.064) 17.959 8.770 ( 0.000 -2.706 21.780) 21.947 8.834 ( 0.000 2.710 3.545) 4.462 8.869 ( 0.000 0.038 8.179) 8.179 9.078 ( 0.000 0.574 6.367) 6.393 9.101 ( 0.000 -1.645 -5.645) 5.880 9.518 ( 0.000 1.687 -0.238) 1.704 9.564 ( 0.000 -2.210 -4.147) 4.699 9.753 ( 0.000 5.099 -4.934) 7.096 9.783 ( 0.000 3.001 -7.163) 7.766 10.049 ( 0.000 2.599 -13.320) 13.571 10.135 ( 0.000 -5.606 -11.614) 12.896 10.227 ( 0.000 -3.618 -13.106) 13.597 10.259 ( 0.000 -4.953 -12.639) 13.575 10.561 ( 0.000 5.395 -19.425) 20.160 10.633 ( 0.000 -0.794 -17.984) 18.002 10.956 ( 0.000 2.156 6.097) 6.467 10.991 ( 0.000 -0.338 -1.424) 1.464 11.293 ( 0.000 3.062 -2.037) 3.678 11.392 ( 0.000 -4.223 -9.604) 10.491 11.454 ( 0.000 1.633 -25.388) 25.441 11.481 ( 0.000 0.044 -29.245) 29.245 11.638 ( 0.000 0.606 -22.546) 22.554 11.668 ( 0.000 -2.000 -22.925) 23.013 11.920 ( 0.000 1.006 -17.834) 17.862 11.952 ( 0.000 -1.631 -17.617) 17.692 12.159 ( 0.000 2.029 -1.215) 2.365 12.216 ( 0.000 -3.232 -3.634) 4.863 12.440 ( 0.000 0.934 3.748) 3.862 12.465 ( 0.000 -1.269 1.609) 2.049 12.609 ( 0.000 3.904 -0.978) 4.025 12.612 ( 0.000 2.338 18.910) 19.054 13.026 ( 0.000 -1.408 18.197) 18.251 13.043 ( 0.000 -1.945 6.174) 6.473 13.111 ( 0.000 4.841 16.201) 16.909 13.300 ( 0.000 -11.762 10.579) 15.820 13.689 ( 0.000 5.033 9.277) 10.555 13.786 ( 0.000 -3.302 20.759) 21.020 13.968 ( 0.000 -0.929 -1.354) 1.642 13.974 ( 0.000 -0.999 3.483) 3.624 14.167 ( 0.000 3.459 13.303) 13.745 14.227 ( 0.000 -1.923 16.505) 16.617 14.469 ( 0.000 4.476 1.256) 4.649 14.512 ( 0.000 7.253 11.921) 13.954 14.598 ( 0.000 1.713 -0.240) 1.730 14.812 ( 0.000 -7.034 15.112) 16.668 14.836 ( 0.000 -0.525 24.124) 24.129 14.945 ( 0.000 -5.762 20.889) 21.669 15.284 ( 0.000 4.583 16.979) 17.587 15.321 ( 0.000 0.739 15.762) 15.779 15.521 ( 0.000 0.328 31.283) 31.285 15.528 ( 0.000 -0.344 24.840) 24.842 15.616 ( 0.000 3.101 4.866) 5.770 15.686 ( 0.000 -1.104 10.638) 10.695 15.884 ( 0.000 0.270 10.067) 10.071 15.987 ( 0.000 -6.619 6.761) 9.462 16.091 ( 0.000 3.542 25.319) 25.566 16.144 ( 0.000 -1.084 24.999) 25.022 16.904 ( 0.000 1.666 8.461) 8.624 16.939 ( 0.000 -1.091 1.732) 2.047 17.323 ( 0.000 5.262 6.415) 8.297 17.341 ( 0.000 6.133 1.831) 6.401 17.643 ( 0.000 -6.292 0.111) 6.293 17.714 ( 0.000 -9.554 -7.460) 12.121 18.183 ( 0.000 5.726 20.229) 21.024 18.283 ( 0.000 -3.508 27.525) 27.748 19.192 ( 0.000 8.603 -8.518) 12.107 19.338 ( 0.000 -3.886 -10.647) 11.334 19.765 ( 0.000 1.009 -3.325) 3.475 19.796 ( 0.000 -1.366 -1.987) 2.412 20.092 ( 0.000 -0.602 -6.596) 6.623 20.113 ( 0.000 -2.033 -12.404) 12.569 20.369 ( 0.000 3.337 -2.111) 3.949 20.447 ( 0.000 -3.314 -0.562) 3.361 20.626 ( 0.000 0.179 -0.526) 0.555 20.626 ( 0.000 0.120 -2.432) 2.435 21.066 ( 0.000 4.012 -7.329) 8.356 21.161 ( 0.000 -4.065 -6.908) 8.016 22.113 ( 0.000 0.755 16.567) 16.584 22.144 ( 0.000 -2.011 18.057) 18.168 22.339 ( 0.000 4.327 5.385) 6.908 22.453 ( 0.000 -6.104 2.778) 6.706 22.601 ( 0.000 0.264 14.649) 14.652 22.608 ( 0.000 -0.209 16.511) 16.513 23.014 ( 0.000 15.024 -10.895) 18.558 23.323 ( 0.000 -11.333 -9.981) 15.102 23.620 ( 0.000 -0.047 -7.478) 7.478 23.631 ( 0.000 -1.484 -10.950) 11.050 24.783 ( 0.000 4.740 -21.292) 21.813 24.876 ( 0.000 -3.285 -21.703) 21.950 25.724 ( 0.000 2.120 -22.982) 23.080 25.775 ( 0.000 -2.120 -22.360) 22.461 ======================= Grid point 155 (62/72) ======================= q-point: ( 0.17 0.33 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.865 1.768 -9.575) 9.776 2.311 ( 0.178 -1.782 -11.169) 11.312 4.222 ( -0.723 1.299 -13.845) 13.924 4.252 ( -1.449 -1.163 -15.250) 15.363 4.542 ( -0.660 1.061 -23.830) 23.862 4.568 ( -1.080 -1.028 -18.520) 18.580 5.804 ( 0.221 0.497 -5.279) 5.307 5.813 ( 0.001 -0.305 -8.523) 8.528 6.563 ( -0.864 0.371 12.747) 12.781 6.569 ( -0.478 -0.111 11.649) 11.659 6.619 ( -6.200 0.581 20.948) 21.854 6.641 ( -5.224 -0.729 20.670) 21.333 6.949 ( -2.254 3.889 15.247) 15.896 7.094 ( -2.152 -4.146 10.164) 11.186 7.223 ( -1.183 4.214 19.702) 20.182 7.408 ( -3.043 -7.048 14.575) 16.473 7.635 ( -0.446 4.785 11.760) 12.704 7.704 ( 9.356 3.946 12.299) 15.949 7.743 ( -3.207 -4.582 9.359) 10.902 7.804 ( 5.861 -3.758 13.839) 15.491 7.884 ( 3.690 1.447 21.276) 21.643 7.923 ( 3.419 -2.106 17.104) 17.569 8.068 ( 1.535 5.644 16.500) 17.506 8.149 ( 6.824 2.796 12.840) 14.807 8.181 ( 3.753 -4.290 3.882) 6.896 8.245 ( 2.205 -5.075 18.884) 19.678 8.348 ( -1.394 2.407 11.281) 11.619 8.405 ( 0.740 -2.754 14.459) 14.737 8.657 ( -2.120 5.238 20.363) 21.132 8.753 ( -2.271 -3.155 22.756) 23.086 8.794 ( -3.303 2.490 1.263) 4.325 8.840 ( -2.980 -1.126 3.586) 4.796 9.113 ( 4.706 2.436 3.914) 6.588 9.184 ( 6.913 -3.423 -3.511) 8.475 9.512 ( -0.753 2.865 -1.730) 3.430 9.574 ( 0.961 -2.212 -5.296) 5.819 9.757 ( 0.736 5.003 -7.709) 9.220 9.819 ( 3.134 0.608 -7.208) 7.883 10.028 ( -1.691 0.071 -11.216) 11.343 10.085 ( -4.917 -4.893 -14.470) 16.047 10.223 ( 2.781 0.757 -10.146) 10.547 10.285 ( 1.765 -3.969 -12.096) 12.852 10.475 ( -7.165 5.265 -16.481) 18.727 10.563 ( -6.099 -2.361 -16.027) 17.310 10.971 ( 1.887 5.295 2.349) 6.092 11.062 ( 2.713 -2.803 -3.386) 5.165 11.220 ( -7.641 1.035 -9.794) 12.465 11.305 ( -8.697 -4.551 -15.616) 18.445 11.460 ( 2.676 3.726 -17.840) 18.421 11.522 ( 1.346 -0.360 -16.101) 16.161 11.664 ( 1.147 0.920 -20.382) 20.434 11.696 ( 2.788 -1.973 -21.085) 21.360 11.919 ( -19.697 1.443 -2.116) 19.863 11.946 ( -9.912 -0.410 -8.782) 13.250 11.989 ( -4.080 0.320 -10.196) 10.986 12.032 ( 7.347 -2.942 -19.281) 20.842 12.394 ( -2.394 1.371 -1.765) 3.275 12.430 ( 0.471 -1.598 1.258) 2.088 12.659 ( 2.679 8.289 -2.327) 9.016 12.801 ( 10.237 -3.570 11.722) 15.967 13.069 ( 5.321 2.556 12.273) 13.618 13.151 ( 9.603 -4.590 17.074) 20.120 13.228 ( 9.614 0.955 15.463) 18.233 13.324 ( 2.328 -7.954 12.731) 15.191 13.715 ( -0.529 5.011 6.791) 8.456 13.759 ( -8.066 1.110 5.320) 9.726 13.857 ( -0.499 0.143 18.352) 18.359 13.938 ( -4.377 -5.546 7.167) 10.064 14.186 ( 1.307 5.090 14.501) 15.424 14.283 ( 5.439 -3.895 9.337) 11.486 14.489 ( 1.441 4.181 1.124) 4.563 14.553 ( 3.683 -0.995 4.962) 6.259 14.650 ( 6.774 6.116 6.482) 11.194 14.824 ( 1.834 -8.090 10.406) 13.308 14.879 ( 4.599 4.300 28.752) 29.433 14.999 ( 3.528 -5.718 19.528) 20.652 15.297 ( -0.456 4.712 14.511) 15.264 15.357 ( 2.846 -0.630 16.166) 16.427 15.436 ( -8.423 0.888 31.951) 33.055 15.463 ( -7.021 -1.373 28.585) 29.467 15.588 ( -2.626 2.257 6.355) 7.237 15.613 ( -4.834 2.353 13.156) 14.212 15.864 ( -0.002 0.858 9.707) 9.745 15.999 ( -0.568 -7.810 14.352) 16.350 16.079 ( -1.084 4.117 23.589) 23.970 16.168 ( 2.859 -3.911 17.534) 18.191 16.814 ( -7.721 6.119 5.606) 11.335 16.924 ( -4.833 -3.455 -0.119) 5.942 17.332 ( 2.646 6.175 5.258) 8.531 17.421 ( 6.567 1.970 2.268) 7.222 17.619 ( -1.497 -4.112 0.572) 4.413 17.717 ( -0.056 -8.307 -6.610) 10.616 18.195 ( 1.311 5.415 20.087) 20.845 18.290 ( 0.695 -3.345 26.178) 26.400 19.190 ( -0.047 7.060 -7.809) 10.528 19.315 ( -1.987 -3.633 -9.051) 9.953 19.782 ( 2.164 1.936 -2.161) 3.620 19.842 ( 3.882 -3.046 -0.885) 5.013 20.120 ( 2.370 1.776 -5.661) 6.389 20.161 ( 3.764 -1.608 -9.850) 10.666 20.329 ( -2.715 -0.581 -4.874) 5.610 20.337 ( -8.484 -0.943 0.757) 8.570 20.612 ( -1.530 2.138 -3.497) 4.375 20.659 ( 0.683 -2.010 -4.056) 4.578 21.051 ( -1.342 3.706 -7.370) 8.358 21.133 ( -2.579 -3.283 -7.454) 8.543 22.122 ( 1.113 0.415 16.995) 17.036 22.142 ( 0.127 -1.335 18.570) 18.619 22.398 ( 4.146 3.958 13.646) 14.801 22.494 ( 1.592 -4.289 15.026) 15.707 22.605 ( 2.283 0.916 7.593) 7.982 22.632 ( 5.244 -1.855 2.068) 5.934 23.054 ( 3.845 12.378 -10.077) 16.418 23.312 ( -1.251 -9.417 -9.939) 13.749 23.549 ( -7.458 -0.026 -7.741) 10.749 23.562 ( -7.363 -1.459 -10.782) 13.138 24.787 ( 0.457 4.024 -21.298) 21.679 24.868 ( -0.885 -2.891 -21.699) 21.909 25.742 ( 1.802 1.774 -22.684) 22.825 25.785 ( 0.977 -1.792 -22.168) 22.261 ======================= Grid point 156 (63/72) ======================= q-point: ( 0.33 0.33 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 1.138 1.064 -10.113) 10.232 2.312 ( -0.071 -0.998 -10.954) 11.000 4.208 ( -0.647 0.817 -14.271) 14.309 4.222 ( -1.486 -0.348 -15.180) 15.257 4.530 ( -0.571 0.338 -21.539) 21.549 4.545 ( -1.286 -0.836 -18.614) 18.677 5.808 ( 0.242 0.424 -5.273) 5.295 5.813 ( -0.008 0.032 -7.033) 7.033 6.480 ( -5.406 0.753 22.495) 23.148 6.512 ( -5.881 -1.791 21.150) 22.026 6.570 ( -0.273 0.059 12.923) 12.926 6.575 ( -0.743 -0.305 13.528) 13.551 6.943 ( 1.901 6.287 12.173) 13.832 7.087 ( -0.875 4.252 4.334) 6.134 7.180 ( -0.996 -5.101 20.512) 21.160 7.339 ( -4.588 -7.911 10.225) 13.718 7.635 ( 0.693 2.138 12.137) 12.344 7.686 ( -2.300 -3.269 11.130) 11.826 7.871 ( 4.208 1.122 13.295) 13.990 7.882 ( 2.476 0.676 7.305) 7.743 7.966 ( 6.786 2.200 19.482) 20.747 8.002 ( 5.974 -0.033 19.739) 20.623 8.127 ( 4.686 3.475 24.314) 25.004 8.196 ( -0.441 -1.026 16.213) 16.252 8.255 ( 1.546 -0.320 18.838) 18.904 8.298 ( -3.809 1.526 18.937) 19.376 8.340 ( 5.485 -1.463 7.640) 9.518 8.423 ( 0.985 -3.807 14.187) 14.722 8.617 ( -0.833 4.047 17.328) 17.813 8.706 ( -1.658 -3.331 20.552) 20.886 8.742 ( -2.231 1.387 1.335) 2.947 8.774 ( -3.995 -1.083 -0.834) 4.222 9.225 ( 6.060 2.373 1.366) 6.650 9.294 ( 3.618 -3.784 -1.427) 5.426 9.499 ( 0.469 5.246 -4.913) 7.202 9.586 ( -0.096 -2.000 -6.405) 6.711 9.803 ( 4.827 0.490 -11.603) 12.577 9.835 ( -0.768 -1.907 -8.915) 9.149 10.015 ( -1.154 1.885 -9.392) 9.649 10.071 ( 1.344 -2.696 -10.568) 10.989 10.261 ( -1.948 4.158 -17.518) 18.110 10.311 ( 5.121 -1.330 -13.372) 14.381 10.402 ( 1.449 1.592 -9.642) 9.879 10.481 ( -1.486 -4.352 -13.295) 14.068 10.983 ( -3.965 1.475 -3.258) 5.340 11.003 ( -8.274 0.808 -17.219) 19.121 11.064 ( -6.914 0.974 -9.232) 11.575 11.129 ( -8.685 -2.727 -4.836) 10.308 11.418 ( -10.641 6.316 -1.367) 12.450 11.507 ( -11.002 0.583 -1.264) 11.089 11.550 ( 1.643 0.506 -8.391) 8.566 11.647 ( -6.025 -5.646 -10.570) 13.413 11.776 ( 1.695 0.619 -20.465) 20.544 11.788 ( 1.257 -0.341 -18.666) 18.711 12.111 ( 7.872 1.144 -17.477) 19.202 12.167 ( 5.867 -3.937 -17.413) 18.792 12.380 ( 0.964 3.668 -12.448) 13.013 12.443 ( 0.272 -2.210 -9.793) 10.043 12.737 ( 6.513 7.121 2.610) 9.997 12.920 ( 3.459 -8.681 9.052) 13.010 13.212 ( 7.896 4.606 18.882) 20.979 13.286 ( -2.196 -0.358 15.751) 15.907 13.317 ( -0.062 -1.493 12.435) 12.525 13.344 ( 1.760 -1.938 10.219) 10.549 13.618 ( 1.390 4.510 10.482) 11.495 13.721 ( -0.250 -4.070 7.620) 8.642 13.833 ( -2.353 0.721 11.741) 11.996 13.898 ( -2.996 -4.579 14.752) 15.734 14.255 ( 7.090 6.616 12.732) 16.004 14.377 ( 5.707 -4.373 6.808) 9.902 14.552 ( 3.862 1.807 -2.346) 4.867 14.583 ( -1.853 -0.737 0.393) 2.033 14.837 ( 12.089 1.871 16.836) 20.811 14.894 ( 4.756 -2.369 18.470) 19.219 14.951 ( 2.915 2.725 22.720) 23.068 15.028 ( 0.262 -3.620 21.685) 21.987 15.215 ( -8.839 4.362 17.826) 20.370 15.260 ( -9.036 1.867 21.544) 23.437 15.304 ( -8.880 -2.367 28.860) 30.288 15.335 ( -5.711 -2.581 14.251) 15.568 15.580 ( 4.315 3.397 17.023) 17.887 15.632 ( 6.525 -0.477 17.440) 18.627 15.876 ( -2.391 1.029 21.637) 21.793 15.948 ( -5.035 -3.751 21.407) 22.309 16.106 ( 7.446 6.040 11.120) 14.683 16.258 ( 7.267 -7.730 8.191) 13.403 16.630 ( -12.083 6.487 1.977) 13.856 16.740 ( -14.091 -3.167 -2.872) 14.725 17.416 ( 5.790 4.539 5.508) 9.190 17.530 ( 3.311 -4.430 4.633) 7.215 17.616 ( 1.735 1.807 -2.929) 3.854 17.705 ( -1.253 -4.973 -6.597) 8.356 18.231 ( 2.570 4.072 19.851) 20.426 18.299 ( -0.115 -1.886 22.982) 23.060 19.200 ( 1.289 3.572 -6.035) 7.130 19.277 ( -2.122 -2.898 -6.327) 7.276 19.850 ( 5.122 1.907 0.316) 5.475 19.908 ( 3.306 -3.212 1.327) 4.796 20.086 ( -5.765 2.315 1.261) 6.339 20.133 ( -8.413 -1.899 1.816) 8.814 20.301 ( 7.651 2.358 -9.668) 12.553 20.369 ( 5.696 -3.408 -10.055) 12.048 20.560 ( -4.202 2.929 -6.215) 8.054 20.616 ( -5.347 -2.097 -7.825) 9.707 21.032 ( -0.365 2.553 -8.505) 8.887 21.085 ( -2.502 -1.950 -9.052) 9.591 22.147 ( 1.351 0.321 18.830) 18.881 22.157 ( 1.292 -0.216 17.947) 17.994 22.413 ( -1.212 2.293 26.479) 26.606 22.466 ( -3.266 -2.108 25.613) 25.906 22.764 ( 13.397 1.613 -6.064) 14.793 22.817 ( 12.993 -3.242 -7.994) 15.596 23.133 ( 4.257 7.023 -9.523) 12.575 23.271 ( -3.614 -4.216 -9.309) 10.839 23.367 ( -11.242 -0.344 -8.363) 14.016 23.377 ( -12.129 -1.514 -10.554) 16.149 24.800 ( 0.957 2.234 -21.339) 21.476 24.847 ( -1.363 -1.722 -21.616) 21.727 25.779 ( 1.928 0.951 -22.113) 22.217 25.803 ( 0.715 -0.995 -21.835) 21.870 ======================= Grid point 157 (64/72) ======================= q-point: (-0.50 0.33 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -0.706 0.056 -10.619) 10.643 2.305 ( 0.706 0.056 -10.619) 10.643 4.204 ( -0.381 0.323 -14.772) 14.781 4.204 ( 0.381 0.323 -14.772) 14.781 4.527 ( -0.439 -0.410 -19.531) 19.540 4.527 ( 0.439 -0.410 -19.531) 19.540 5.812 ( -0.153 0.359 -5.811) 5.824 5.812 ( 0.153 0.359 -5.811) 5.824 6.438 ( -1.181 -1.025 22.754) 22.807 6.438 ( 1.181 -1.024 22.754) 22.807 6.569 ( -0.101 -0.060 12.619) 12.619 6.569 ( 0.101 -0.060 12.619) 12.619 7.013 ( -5.133 8.835 10.586) 14.713 7.013 ( 5.133 8.835 10.586) 14.713 7.241 ( -5.573 -10.086 11.429) 16.230 7.241 ( 5.573 -10.086 11.429) 16.230 7.655 ( -1.351 -0.541 11.260) 11.353 7.655 ( 1.351 -0.541 11.260) 11.353 7.892 ( -0.613 1.405 8.630) 8.765 7.892 ( 0.613 1.405 8.630) 8.765 8.089 ( -2.575 1.911 22.316) 22.545 8.089 ( 2.575 1.911 22.316) 22.546 8.186 ( -2.877 -1.462 22.523) 22.753 8.186 ( 2.877 -1.462 22.523) 22.753 8.224 ( -2.358 3.749 18.859) 19.372 8.224 ( 2.358 3.749 18.860) 19.373 8.415 ( -2.316 -3.902 14.653) 15.340 8.415 ( 2.316 -3.902 14.653) 15.340 8.661 ( -4.322 0.828 10.857) 11.715 8.661 ( 4.322 0.828 10.857) 11.715 8.723 ( -0.862 -0.413 3.746) 3.866 8.723 ( 0.862 -0.413 3.746) 3.866 9.299 ( -2.233 0.279 -1.536) 2.724 9.299 ( 2.233 0.279 -1.536) 2.724 9.554 ( -3.647 0.531 -5.682) 6.772 9.554 ( 3.647 0.531 -5.682) 6.772 9.869 ( -2.856 0.014 -9.186) 9.620 9.869 ( 2.856 0.014 -9.186) 9.620 9.985 ( -4.958 -0.324 -12.496) 13.447 9.985 ( 4.958 -0.324 -12.496) 13.447 10.361 ( -4.149 -0.575 -13.601) 14.231 10.361 ( 4.149 -0.575 -13.601) 14.231 10.453 ( -2.724 -0.503 -13.500) 13.781 10.453 ( 2.724 -0.503 -13.500) 13.781 10.875 ( -0.809 0.887 -15.432) 15.479 10.875 ( 0.809 0.887 -15.432) 15.479 11.025 ( -1.838 -1.133 0.039) 2.159 11.025 ( 1.838 -1.133 0.039) 2.159 11.347 ( -4.209 5.298 1.498) 6.931 11.347 ( 4.209 5.298 1.498) 6.931 11.593 ( -2.053 -2.836 -10.494) 11.063 11.593 ( 2.054 -2.836 -10.494) 11.063 11.801 ( -0.401 0.047 -19.508) 19.512 11.801 ( 0.401 0.047 -19.508) 19.512 12.207 ( -1.796 -2.164 -14.792) 15.057 12.207 ( 1.796 -2.164 -14.792) 15.057 12.422 ( -2.593 0.975 -18.462) 18.668 12.422 ( 2.593 0.975 -18.462) 18.668 12.884 ( -7.710 0.620 7.622) 10.859 12.884 ( 7.710 0.620 7.622) 10.859 13.240 ( -3.539 0.231 9.795) 10.417 13.240 ( 3.539 0.231 9.795) 10.417 13.343 ( -3.038 -0.947 18.596) 18.866 13.343 ( 3.038 -0.947 18.596) 18.866 13.723 ( -6.028 1.999 11.690) 13.304 13.723 ( 6.028 1.999 11.690) 13.304 13.806 ( -4.790 -3.271 9.841) 11.423 13.806 ( 4.790 -3.271 9.841) 11.423 14.426 ( -8.662 3.129 8.770) 12.718 14.426 ( 8.662 3.129 8.770) 12.718 14.538 ( -5.157 -2.475 2.061) 6.080 14.538 ( 5.157 -2.475 2.061) 6.080 14.973 ( -2.428 1.405 19.510) 19.711 14.973 ( 2.428 1.405 19.510) 19.711 15.037 ( -3.417 -1.342 24.430) 24.704 15.037 ( 3.417 -1.342 24.430) 24.704 15.096 ( -4.342 1.359 20.137) 20.645 15.096 ( 4.343 1.359 20.137) 20.645 15.229 ( -2.813 -1.148 16.104) 16.388 15.229 ( 2.813 -1.148 16.104) 16.388 15.718 ( -6.664 0.659 22.608) 23.579 15.718 ( 6.664 0.659 22.608) 23.579 15.821 ( -6.344 -0.577 22.226) 23.121 15.821 ( 6.344 -0.577 22.226) 23.121 16.328 ( -11.106 3.078 7.153) 13.564 16.328 ( 11.106 3.078 7.153) 13.564 16.490 ( -8.781 -2.431 -2.969) 9.583 16.490 ( 8.781 -2.431 -2.969) 9.583 17.514 ( -3.999 0.129 6.317) 7.478 17.514 ( 3.999 0.129 6.317) 7.478 17.670 ( -2.715 -1.323 -6.605) 7.263 17.670 ( 2.715 -1.323 -6.605) 7.263 18.278 ( -2.110 1.264 20.383) 20.531 18.278 ( 2.110 1.264 20.383) 20.531 19.235 ( -2.346 -0.359 -4.980) 5.516 19.235 ( 2.346 -0.359 -4.980) 5.516 19.953 ( -3.504 -0.136 1.411) 3.780 19.953 ( 3.504 -0.136 1.411) 3.780 20.001 ( -2.647 -0.344 3.028) 4.037 20.001 ( 2.647 -0.344 3.028) 4.037 20.457 ( -7.137 1.487 -8.238) 11.000 20.457 ( 7.137 1.486 -8.238) 11.000 20.488 ( -6.967 -1.125 -10.039) 12.271 20.488 ( 6.967 -1.125 -10.039) 12.271 21.045 ( -1.683 0.145 -9.867) 10.011 21.045 ( 1.683 0.145 -9.867) 10.011 22.167 ( -0.480 0.547 18.378) 18.393 22.167 ( 0.480 0.547 18.378) 18.393 22.413 ( -1.759 -0.390 27.728) 27.786 22.413 ( 1.759 -0.390 27.728) 27.786 22.992 ( -4.386 0.163 -8.772) 9.809 22.992 ( 4.386 0.163 -8.772) 9.809 23.151 ( -4.339 -1.277 -8.128) 9.301 23.151 ( 4.339 -1.277 -8.128) 9.301 23.241 ( -2.826 0.851 -10.204) 10.623 23.241 ( 2.826 0.851 -10.204) 10.623 24.821 ( -1.340 0.105 -21.456) 21.498 24.821 ( 1.340 0.105 -21.456) 21.498 25.804 ( -0.647 -0.027 -21.765) 21.774 25.804 ( 0.647 -0.027 -21.765) 21.774 ======================= Grid point 168 (65/72) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 0.000 0.000 -3.335) 3.335 2.137 ( 0.000 0.000 -5.962) 5.962 4.004 ( 0.000 0.000 -8.575) 8.575 4.008 ( 0.000 0.000 -5.729) 5.729 4.090 ( 0.000 0.000 -12.915) 12.915 4.355 ( 0.000 0.000 -6.771) 6.771 5.679 ( 0.000 0.000 -3.087) 3.087 5.743 ( 0.000 0.000 -1.326) 1.326 6.732 ( 0.000 0.000 4.121) 4.121 6.740 ( 0.000 0.000 4.395) 4.395 6.914 ( 0.000 0.000 3.920) 3.920 6.950 ( 0.000 0.000 7.033) 7.033 7.189 ( 0.000 0.000 4.642) 4.642 7.331 ( 0.000 0.000 7.487) 7.487 7.447 ( 0.000 0.000 4.265) 4.265 7.637 ( 0.000 0.000 3.401) 3.401 7.700 ( 0.000 0.000 2.464) 2.464 7.933 ( 0.000 0.000 5.784) 5.784 7.997 ( 0.000 0.000 17.999) 17.999 8.089 ( 0.000 0.000 -5.343) 5.343 8.090 ( 0.000 0.000 11.718) 11.718 8.122 ( 0.000 0.000 5.243) 5.243 8.268 ( 0.000 0.000 0.881) 0.881 8.314 ( 0.000 0.000 16.671) 16.671 8.344 ( 0.000 0.000 18.167) 18.167 8.468 ( 0.000 0.000 5.456) 5.456 8.552 ( 0.000 0.000 -2.664) 2.664 8.720 ( 0.000 0.000 14.490) 14.490 8.731 ( 0.000 0.000 -17.116) 17.116 8.772 ( 0.000 0.000 1.415) 1.415 8.825 ( 0.000 0.000 4.710) 4.710 8.855 ( 0.000 0.000 -0.504) 0.504 9.217 ( 0.000 0.000 0.553) 0.553 9.384 ( 0.000 0.000 3.948) 3.948 9.497 ( 0.000 0.000 -4.148) 4.148 9.573 ( 0.000 0.000 9.992) 9.992 9.680 ( 0.000 0.000 14.679) 14.679 9.814 ( 0.000 0.000 10.724) 10.724 9.884 ( 0.000 0.000 -3.018) 3.018 9.981 ( 0.000 0.000 -21.123) 21.123 10.067 ( 0.000 0.000 -11.736) 11.736 10.120 ( 0.000 0.000 5.656) 5.656 10.254 ( 0.000 0.000 -19.850) 19.850 10.349 ( 0.000 0.000 15.612) 15.612 10.789 ( 0.000 0.000 -26.979) 26.979 10.846 ( 0.000 0.000 -12.453) 12.453 10.970 ( 0.000 0.000 -14.061) 14.061 11.136 ( 0.000 0.000 -17.732) 17.732 11.141 ( 0.000 0.000 9.746) 9.746 11.218 ( 0.000 0.000 -13.281) 13.281 11.328 ( 0.000 0.000 1.357) 1.357 11.425 ( 0.000 0.000 -2.156) 2.156 11.657 ( 0.000 0.000 -11.486) 11.486 11.694 ( 0.000 0.000 -5.822) 5.822 12.107 ( 0.000 0.000 -1.447) 1.447 12.209 ( 0.000 0.000 -1.864) 1.864 12.371 ( 0.000 0.000 -4.049) 4.049 12.420 ( 0.000 0.000 -0.366) 0.366 12.478 ( 0.000 0.000 -0.742) 0.742 13.002 ( 0.000 0.000 9.440) 9.440 13.157 ( 0.000 0.000 3.635) 3.635 13.254 ( 0.000 0.000 6.423) 6.423 13.428 ( 0.000 0.000 7.925) 7.925 13.456 ( 0.000 0.000 -2.818) 2.818 13.878 ( 0.000 0.000 17.058) 17.058 13.934 ( 0.000 0.000 -4.099) 4.099 14.151 ( 0.000 0.000 8.500) 8.500 14.167 ( 0.000 0.000 -0.420) 0.420 14.290 ( 0.000 0.000 0.926) 0.926 14.352 ( 0.000 0.000 -4.881) 4.881 14.489 ( 0.000 0.000 22.157) 22.157 14.511 ( 0.000 0.000 -3.258) 3.258 14.573 ( 0.000 0.000 0.858) 0.858 14.915 ( 0.000 0.000 -9.920) 9.920 15.182 ( 0.000 0.000 4.175) 4.175 15.371 ( 0.000 0.000 22.402) 22.402 15.476 ( 0.000 0.000 6.877) 6.877 15.618 ( 0.000 0.000 10.087) 10.087 15.715 ( 0.000 0.000 5.816) 5.816 15.829 ( 0.000 0.000 0.824) 0.824 15.911 ( 0.000 0.000 -12.884) 12.884 15.922 ( 0.000 0.000 12.949) 12.949 16.109 ( 0.000 0.000 23.524) 23.524 16.121 ( 0.000 0.000 8.888) 8.888 16.416 ( 0.000 0.000 1.209) 1.209 16.498 ( 0.000 0.000 4.503) 4.503 16.923 ( 0.000 0.000 2.902) 2.902 17.102 ( 0.000 0.000 9.144) 9.144 17.222 ( 0.000 0.000 -0.960) 0.960 17.341 ( 0.000 0.000 2.194) 2.194 17.699 ( 0.000 0.000 -5.789) 5.789 17.921 ( 0.000 0.000 5.953) 5.953 18.292 ( 0.000 0.000 5.221) 5.221 18.790 ( 0.000 0.000 13.004) 13.004 18.934 ( 0.000 0.000 -4.183) 4.183 19.156 ( 0.000 0.000 -7.754) 7.754 19.722 ( 0.000 0.000 2.173) 2.173 19.748 ( 0.000 0.000 -2.366) 2.366 19.871 ( 0.000 0.000 -11.601) 11.601 20.099 ( 0.000 0.000 0.187) 0.187 20.273 ( 0.000 0.000 -1.470) 1.470 20.505 ( 0.000 0.000 2.011) 2.011 20.563 ( 0.000 0.000 -3.008) 3.008 20.617 ( 0.000 0.000 -0.568) 0.568 20.904 ( 0.000 0.000 -3.234) 3.234 21.100 ( 0.000 0.000 -3.583) 3.583 22.274 ( 0.000 0.000 -1.615) 1.615 22.445 ( 0.000 0.000 14.200) 14.200 22.454 ( 0.000 0.000 -3.653) 3.653 22.548 ( 0.000 0.000 13.548) 13.548 22.667 ( 0.000 0.000 -4.731) 4.731 22.987 ( 0.000 0.000 13.837) 13.837 23.034 ( 0.000 0.000 15.522) 15.522 23.358 ( 0.000 0.000 -2.420) 2.420 23.443 ( 0.000 0.000 -5.854) 5.854 23.526 ( 0.000 0.000 -2.579) 2.579 24.340 ( 0.000 0.000 -12.972) 12.972 24.530 ( 0.000 0.000 -12.646) 12.646 25.293 ( 0.000 0.000 -13.407) 13.407 25.425 ( 0.000 0.000 -12.013) 12.013 ======================= Grid point 169 (66/72) ======================= q-point: ( 0.17 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 0.493 0.000 -3.541) 3.575 2.141 ( 0.365 0.000 -5.741) 5.753 3.985 ( -1.608 0.000 -8.662) 8.810 3.999 ( -0.901 0.000 -5.866) 5.934 4.113 ( 2.096 0.000 -11.987) 12.169 4.339 ( -1.777 0.000 -6.932) 7.156 5.688 ( 0.929 0.000 -2.908) 3.053 5.744 ( 0.101 0.000 -1.367) 1.371 6.731 ( -0.082 0.000 4.214) 4.215 6.738 ( -0.251 0.000 4.452) 4.459 6.913 ( -0.792 0.000 6.738) 6.784 6.945 ( -0.489 0.000 8.494) 8.508 7.086 ( -7.284 0.000 2.796) 7.802 7.176 ( -9.399 0.000 4.725) 10.520 7.553 ( 1.754 0.000 6.287) 6.527 7.730 ( 3.733 0.000 0.838) 3.826 7.737 ( 0.483 0.000 6.057) 6.076 7.825 ( -2.066 0.000 7.361) 7.645 7.891 ( -2.227 0.000 8.339) 8.631 8.060 ( 1.520 0.000 -5.208) 5.425 8.143 ( -3.528 0.000 8.158) 8.888 8.197 ( 6.177 0.000 4.135) 7.433 8.240 ( -3.302 0.000 14.270) 14.647 8.397 ( 9.888 0.000 9.003) 13.373 8.427 ( 6.624 0.000 16.204) 17.505 8.477 ( 0.600 0.000 7.546) 7.570 8.585 ( 2.038 0.000 -0.615) 2.129 8.739 ( -3.349 0.000 -2.233) 4.026 8.745 ( 6.297 0.000 1.725) 6.529 8.839 ( -0.757 0.000 2.377) 2.494 8.868 ( 10.515 0.000 -1.230) 10.587 8.868 ( 3.503 0.000 8.376) 9.079 9.227 ( -1.188 0.000 5.304) 5.435 9.349 ( -2.195 0.000 -0.961) 2.396 9.491 ( -0.828 0.000 -3.822) 3.911 9.550 ( -1.703 0.000 2.669) 3.166 9.644 ( -3.951 0.000 13.397) 13.967 9.791 ( -4.039 0.000 0.268) 4.048 9.877 ( -1.171 0.000 -6.908) 7.007 9.933 ( 1.295 0.000 2.073) 2.444 10.028 ( -4.413 0.000 -11.199) 12.037 10.140 ( 0.778 0.000 -2.398) 2.521 10.222 ( -1.809 0.000 -12.420) 12.552 10.346 ( -0.970 0.000 10.539) 10.584 10.743 ( -4.883 0.000 -24.708) 25.186 10.758 ( -8.075 0.000 -16.600) 18.460 11.042 ( 6.980 0.000 -13.390) 15.101 11.175 ( 0.810 0.000 11.116) 11.146 11.245 ( 7.207 0.000 -7.126) 10.135 11.258 ( 3.909 0.000 -12.997) 13.572 11.321 ( 1.352 0.000 -4.664) 4.856 11.412 ( -0.394 0.000 -6.476) 6.488 11.672 ( 3.023 0.000 -9.727) 10.186 11.760 ( 6.595 0.000 -7.695) 10.135 11.873 ( -21.975 0.000 -1.226) 22.009 11.988 ( -19.184 0.000 -0.727) 19.197 12.335 ( -8.283 0.000 -1.251) 8.377 12.435 ( 7.068 0.000 -3.166) 7.744 12.446 ( -3.267 0.000 -0.749) 3.352 13.152 ( 12.211 0.000 6.995) 14.073 13.188 ( 3.911 0.000 6.036) 7.193 13.358 ( 9.903 0.000 3.584) 10.532 13.505 ( 5.037 0.000 6.490) 8.216 13.507 ( 5.588 0.000 -1.596) 5.811 13.813 ( -19.447 0.000 6.483) 20.499 13.923 ( -1.721 0.000 -2.414) 2.964 13.961 ( 4.824 0.000 14.269) 15.063 14.237 ( -5.867 0.000 3.597) 6.882 14.339 ( 5.173 0.000 0.448) 5.192 14.451 ( 5.212 0.000 -6.758) 8.535 14.516 ( 2.664 0.000 20.408) 20.581 14.540 ( 0.349 0.000 -0.817) 0.889 14.616 ( 13.421 0.000 0.853) 13.448 14.903 ( -0.775 0.000 -8.492) 8.527 15.192 ( 0.991 0.000 2.815) 2.984 15.387 ( 0.928 0.000 18.033) 18.057 15.528 ( 3.010 0.000 12.276) 12.639 15.649 ( -0.598 0.000 8.503) 8.524 15.693 ( 3.066 0.000 6.538) 7.221 15.865 ( -1.078 0.000 1.903) 2.187 15.884 ( 5.218 0.000 -2.345) 5.721 15.922 ( -0.535 0.000 15.374) 15.383 16.052 ( -5.998 0.000 25.206) 25.910 16.174 ( 4.333 0.000 -1.245) 4.508 16.377 ( -4.301 0.000 0.242) 4.308 16.434 ( -6.091 0.000 3.828) 7.194 16.801 ( -12.649 0.000 0.940) 12.684 17.003 ( -10.596 0.000 7.575) 13.025 17.274 ( 5.351 0.000 -0.808) 5.412 17.397 ( 5.661 0.000 1.741) 5.922 17.682 ( -1.778 0.000 -5.616) 5.891 17.889 ( -3.468 0.000 6.069) 6.990 18.328 ( 3.817 0.000 5.639) 6.809 18.755 ( -3.594 0.000 11.438) 11.989 18.964 ( 3.163 0.000 -4.051) 5.140 19.171 ( 1.374 0.000 -6.368) 6.515 19.767 ( 5.159 0.000 4.423) 6.796 19.825 ( 7.669 0.000 -2.458) 8.053 19.951 ( 7.689 0.000 -11.308) 13.675 20.092 ( -0.732 0.000 0.400) 0.834 20.229 ( -4.117 0.000 -2.529) 4.831 20.420 ( -7.941 0.000 4.775) 9.266 20.529 ( -3.523 0.000 -3.403) 4.898 20.594 ( -3.596 0.000 -3.834) 5.256 20.889 ( -1.381 0.000 -3.287) 3.566 21.054 ( -4.530 0.000 -3.541) 5.750 22.366 ( 9.166 0.000 0.344) 9.173 22.494 ( 4.887 0.000 13.693) 14.539 22.502 ( 3.851 0.000 3.537) 5.229 22.567 ( 3.217 0.000 6.209) 6.993 22.682 ( 1.972 0.000 -4.117) 4.565 22.982 ( -0.584 0.000 14.986) 14.997 23.038 ( 0.400 0.000 13.676) 13.682 23.314 ( -4.606 0.000 -3.296) 5.664 23.373 ( -7.314 0.000 -5.942) 9.423 23.451 ( -7.977 0.000 -2.841) 8.468 24.355 ( 1.567 0.000 -12.899) 12.993 24.516 ( -1.458 0.000 -12.764) 12.847 25.324 ( 3.042 0.000 -13.027) 13.377 25.434 ( 0.850 0.000 -11.899) 11.929 ======================= Grid point 170 (67/72) ======================= q-point: ( 0.33 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.740 0.000 -4.046) 4.113 2.146 ( 0.088 0.000 -5.232) 5.233 3.960 ( -0.776 0.000 -7.981) 8.018 3.978 ( -1.255 0.000 -6.288) 6.412 4.161 ( 3.151 0.000 -10.490) 10.953 4.292 ( -3.228 0.000 -7.569) 8.229 5.709 ( 1.287 0.000 -2.428) 2.748 5.743 ( -0.310 0.000 -1.529) 1.560 6.729 ( -0.152 0.000 4.609) 4.612 6.731 ( -0.434 0.000 5.022) 5.041 6.866 ( -2.888 0.000 12.610) 12.936 6.923 ( -2.639 0.000 12.290) 12.570 7.019 ( -0.546 0.000 -2.477) 2.536 7.043 ( -4.240 0.000 2.327) 4.837 7.497 ( -4.434 0.000 1.805) 4.788 7.573 ( -8.952 0.000 7.480) 11.665 7.799 ( 3.958 0.000 -2.419) 4.639 7.918 ( 4.016 0.000 13.670) 14.248 7.962 ( 3.630 0.000 6.027) 7.036 8.052 ( -2.936 0.000 -0.341) 2.956 8.152 ( 6.184 0.000 -4.575) 7.693 8.175 ( -1.868 0.000 11.185) 11.340 8.337 ( 8.318 0.000 7.475) 11.183 8.477 ( -0.781 0.000 6.992) 7.036 8.529 ( 3.658 0.000 7.253) 8.123 8.530 ( 2.633 0.000 6.213) 6.748 8.616 ( 2.144 0.000 6.500) 6.844 8.727 ( 2.860 0.000 8.311) 8.790 8.776 ( -4.837 0.000 1.496) 5.063 8.894 ( 3.631 0.000 10.909) 11.497 8.963 ( 5.373 0.000 12.338) 13.457 8.964 ( -1.381 0.000 2.906) 3.217 9.219 ( 7.210 0.000 -2.515) 7.636 9.377 ( 4.064 0.000 4.412) 5.999 9.448 ( -4.869 0.000 0.219) 4.874 9.549 ( 2.104 0.000 -9.063) 9.304 9.558 ( -4.081 0.000 6.266) 7.478 9.739 ( 0.160 0.000 -3.254) 3.258 9.820 ( -5.824 0.000 -13.829) 15.005 9.911 ( -7.537 0.000 -6.195) 9.756 10.037 ( 7.646 0.000 10.834) 13.260 10.165 ( 3.247 0.000 -8.051) 8.681 10.200 ( -1.568 0.000 -6.174) 6.370 10.327 ( -0.788 0.000 3.292) 3.385 10.613 ( -6.645 0.000 -17.610) 18.822 10.625 ( -6.915 0.000 -18.600) 19.844 11.122 ( -4.672 0.000 9.853) 10.905 11.181 ( 6.098 0.000 -8.412) 10.390 11.269 ( 0.769 0.000 3.473) 3.558 11.320 ( -0.378 0.000 -7.898) 7.907 11.394 ( 1.303 0.000 -11.185) 11.260 11.433 ( 1.359 0.000 -13.447) 13.515 11.460 ( -16.494 0.000 -6.707) 17.806 11.640 ( -16.697 0.000 -1.009) 16.728 11.807 ( 10.644 0.000 -7.530) 13.038 11.929 ( 11.838 0.000 -7.901) 14.232 12.162 ( -9.640 0.000 -3.520) 10.263 12.350 ( -7.523 0.000 -3.014) 8.104 12.634 ( 14.544 0.000 -0.862) 14.569 13.291 ( 6.699 0.000 6.717) 9.487 13.301 ( -6.871 0.000 4.847) 8.409 13.470 ( -7.194 0.000 4.048) 8.254 13.544 ( 0.565 0.000 7.491) 7.513 13.572 ( 12.145 0.000 4.053) 12.804 13.658 ( 10.531 0.000 -0.006) 10.531 13.853 ( -5.734 0.000 -0.323) 5.743 14.004 ( -3.641 0.000 7.931) 8.726 14.084 ( -10.146 0.000 1.779) 10.301 14.460 ( 6.988 0.000 0.491) 7.005 14.483 ( 3.724 0.000 3.073) 4.829 14.573 ( 2.854 0.000 14.077) 14.364 14.579 ( 1.667 0.000 -3.784) 4.135 14.907 ( 1.591 0.000 -6.185) 6.386 14.922 ( 12.524 0.000 -0.008) 12.524 15.225 ( 3.011 0.000 2.718) 4.057 15.387 ( -0.522 0.000 10.635) 10.648 15.542 ( -4.174 0.000 12.109) 12.808 15.605 ( 6.737 0.000 20.595) 21.668 15.859 ( 8.661 0.000 8.590) 12.199 15.870 ( -6.864 0.000 23.313) 24.302 15.904 ( -8.805 0.000 26.214) 27.654 15.922 ( 9.879 0.000 0.409) 9.888 16.054 ( 11.575 0.000 6.396) 13.224 16.256 ( 4.972 0.000 -10.211) 11.357 16.268 ( -6.609 0.000 -1.028) 6.688 16.311 ( -7.238 0.000 3.679) 8.119 16.491 ( -19.870 0.000 -5.686) 20.667 16.740 ( -16.966 0.000 4.825) 17.639 17.400 ( 7.763 0.000 -1.323) 7.875 17.527 ( 7.933 0.000 1.643) 8.101 17.632 ( -3.831 0.000 -5.266) 6.513 17.799 ( -6.113 0.000 5.717) 8.370 18.423 ( 6.274 0.000 6.473) 9.014 18.666 ( -5.908 0.000 8.974) 10.744 19.044 ( 5.327 0.000 -3.690) 6.480 19.186 ( -0.422 0.000 -4.227) 4.248 19.898 ( 8.357 0.000 6.405) 10.529 19.998 ( 9.486 0.000 1.208) 9.563 20.072 ( -1.452 0.000 1.375) 2.000 20.095 ( 5.815 0.000 -6.888) 9.015 20.184 ( 2.869 0.000 -9.512) 9.935 20.253 ( -9.549 0.000 6.562) 11.587 20.438 ( -6.499 0.000 -6.578) 9.247 20.474 ( -9.023 0.000 -4.368) 10.024 20.867 ( -0.586 0.000 -3.751) 3.797 20.959 ( -5.178 0.000 -4.300) 6.730 22.519 ( 4.026 0.000 14.996) 15.527 22.538 ( 0.813 0.000 14.615) 14.637 22.643 ( 12.998 0.000 -1.617) 13.098 22.704 ( 10.304 0.000 -5.091) 11.493 22.759 ( 6.542 0.000 2.934) 7.170 22.961 ( -1.936 0.000 17.699) 17.805 23.052 ( 1.312 0.000 7.764) 7.874 23.195 ( -11.328 0.000 -6.161) 12.895 23.199 ( -7.706 0.000 -4.755) 9.055 23.253 ( -12.521 0.000 -4.136) 13.187 24.392 ( 2.373 0.000 -12.804) 13.022 24.481 ( -2.210 0.000 -12.865) 13.053 25.387 ( 3.364 0.000 -12.328) 12.779 25.446 ( 0.230 0.000 -11.747) 11.749 ======================= Grid point 171 (68/72) ======================= q-point: (-0.50 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -0.503 0.000 -4.644) 4.672 2.142 ( 0.503 0.000 -4.645) 4.672 3.959 ( -0.609 0.000 -7.027) 7.053 3.959 ( 0.609 0.000 -7.027) 7.053 4.226 ( -3.755 0.000 -8.850) 9.614 4.226 ( 3.755 0.000 -8.850) 9.614 5.731 ( -0.997 0.000 -1.885) 2.132 5.731 ( 0.997 0.000 -1.885) 2.132 6.727 ( -0.010 0.000 5.376) 5.376 6.727 ( 0.010 0.000 5.376) 5.376 6.861 ( -2.439 0.000 13.055) 13.281 6.861 ( 2.439 0.000 13.055) 13.281 7.017 ( -0.028 0.000 -0.732) 0.732 7.017 ( 0.028 0.000 -0.732) 0.732 7.468 ( -1.995 0.000 3.025) 3.623 7.468 ( 1.995 0.000 3.025) 3.623 7.891 ( -5.868 0.000 0.826) 5.926 7.891 ( 5.868 0.000 0.826) 5.926 8.004 ( -4.696 0.000 13.266) 14.072 8.004 ( 4.696 0.000 13.266) 14.072 8.210 ( -1.140 0.000 -5.522) 5.638 8.210 ( 1.141 0.000 -5.522) 5.638 8.447 ( -2.958 0.000 10.369) 10.783 8.447 ( 2.958 0.000 10.369) 10.783 8.551 ( -0.592 0.000 3.308) 3.360 8.551 ( 0.592 0.000 3.308) 3.360 8.682 ( -4.693 0.000 6.308) 7.862 8.682 ( 4.693 0.000 6.308) 7.862 8.790 ( -4.369 0.000 14.467) 15.113 8.790 ( 4.369 0.000 14.467) 15.113 9.031 ( -0.097 0.000 4.149) 4.151 9.031 ( 0.097 0.000 4.150) 4.151 9.331 ( -5.787 0.000 6.997) 9.080 9.331 ( 5.787 0.000 6.997) 9.080 9.491 ( -5.061 0.000 3.461) 6.131 9.491 ( 5.061 0.000 3.461) 6.131 9.652 ( -9.979 0.000 -15.087) 18.089 9.652 ( 9.979 0.000 -15.087) 18.089 9.796 ( -5.006 0.000 -4.415) 6.675 9.796 ( 5.006 0.000 -4.415) 6.675 10.147 ( -4.236 0.000 -5.923) 7.282 10.147 ( 4.236 0.000 -5.923) 7.282 10.272 ( -6.078 0.000 0.798) 6.130 10.272 ( 6.079 0.000 0.798) 6.131 10.549 ( -0.353 0.000 -14.876) 14.880 10.549 ( 0.353 0.000 -14.876) 14.880 11.105 ( -5.417 0.000 6.311) 8.318 11.105 ( 5.417 0.000 6.311) 8.318 11.302 ( -0.179 0.000 -2.991) 2.997 11.302 ( 0.179 0.000 -2.991) 2.997 11.411 ( -0.390 0.000 -12.070) 12.076 11.411 ( 0.390 0.000 -12.070) 12.077 11.434 ( -2.941 0.000 -9.146) 9.607 11.434 ( 2.942 0.000 -9.146) 9.607 11.992 ( -9.258 0.000 -6.260) 11.175 11.992 ( 9.258 0.000 -6.260) 11.176 12.165 ( -12.361 0.000 -5.727) 13.624 12.165 ( 12.361 0.000 -5.727) 13.624 12.958 ( -20.269 0.000 2.051) 20.373 12.958 ( 20.269 0.000 2.051) 20.373 13.412 ( -5.824 0.000 5.335) 7.898 13.412 ( 5.824 0.000 5.335) 7.898 13.649 ( -7.399 0.000 9.129) 11.751 13.649 ( 7.399 0.000 9.129) 11.751 13.850 ( -10.125 0.000 -1.669) 10.262 13.850 ( 10.125 0.000 -1.669) 10.262 13.878 ( -11.826 0.000 2.110) 12.013 13.878 ( 11.826 0.000 2.110) 12.013 14.550 ( -1.038 0.000 0.505) 1.154 14.550 ( 1.038 0.000 0.505) 1.154 14.586 ( -1.056 0.000 5.466) 5.567 14.586 ( 1.056 0.000 5.466) 5.567 14.965 ( -3.923 0.000 -2.336) 4.566 14.965 ( 3.923 0.000 -2.336) 4.566 15.313 ( -6.339 0.000 3.866) 7.425 15.313 ( 6.339 0.000 3.866) 7.425 15.654 ( -13.193 0.000 26.040) 29.191 15.654 ( 13.193 0.000 26.040) 29.191 15.764 ( -8.477 0.000 24.663) 26.079 15.764 ( 8.477 0.000 24.663) 26.079 16.088 ( -17.119 0.000 7.387) 18.645 16.088 ( 17.119 0.000 7.387) 18.645 16.123 ( -10.249 0.000 -2.948) 10.665 16.123 ( 10.249 0.000 -2.948) 10.665 16.228 ( -6.707 0.000 -3.099) 7.388 16.228 ( 6.707 0.000 -3.098) 7.388 16.429 ( -15.137 0.000 -3.035) 15.438 16.429 ( 15.137 0.000 -3.035) 15.438 17.536 ( -6.608 0.000 -3.541) 7.497 17.536 ( 6.608 0.000 -3.541) 7.497 17.672 ( -7.577 0.000 3.691) 8.428 17.672 ( 7.577 0.000 3.691) 8.428 18.547 ( -6.885 0.000 7.405) 10.112 18.547 ( 6.885 0.000 7.405) 10.112 19.140 ( -4.441 0.000 -3.452) 5.624 19.140 ( 4.441 0.000 -3.452) 5.624 20.033 ( -4.074 0.000 4.665) 6.193 20.033 ( 4.074 0.000 4.665) 6.193 20.094 ( -6.213 0.000 5.636) 8.388 20.094 ( 6.213 0.000 5.636) 8.388 20.263 ( -11.785 0.000 -8.780) 14.696 20.263 ( 11.785 0.000 -8.780) 14.696 20.315 ( -8.136 0.000 -6.695) 10.537 20.315 ( 8.136 0.000 -6.695) 10.537 20.884 ( -2.622 0.000 -4.562) 5.262 20.884 ( 2.622 0.000 -4.562) 5.262 22.546 ( -0.107 0.000 14.984) 14.984 22.546 ( 0.107 0.000 14.984) 14.984 22.853 ( -1.520 0.000 -1.412) 2.075 22.853 ( 1.520 0.000 -1.412) 2.075 22.895 ( -6.524 0.000 12.727) 14.302 22.895 ( 6.524 0.000 12.727) 14.302 23.030 ( -1.166 0.000 -5.579) 5.699 23.030 ( 1.167 0.000 -5.579) 5.699 23.100 ( -4.493 0.000 -2.603) 5.192 23.100 ( 4.493 0.000 -2.603) 5.192 24.438 ( -2.501 0.000 -12.821) 13.063 24.438 ( 2.501 0.000 -12.821) 13.063 25.434 ( -1.656 0.000 -11.852) 11.967 25.434 ( 1.656 0.000 -11.852) 11.967 ======================= Grid point 175 (69/72) ======================= q-point: ( 0.00 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 0.000 0.426 -4.029) 4.051 2.130 ( 0.000 -0.559 -5.340) 5.369 3.995 ( 0.000 -0.314 -7.839) 7.845 3.998 ( 0.000 -0.423 -8.494) 8.505 4.168 ( 0.000 5.720 -10.041) 11.556 4.294 ( 0.000 -5.088 -7.748) 9.269 5.699 ( 0.000 1.547 -2.573) 3.002 5.731 ( 0.000 -1.131 -1.701) 2.043 6.724 ( 0.000 -0.340 3.730) 3.745 6.729 ( 0.000 -0.695 3.954) 4.015 6.929 ( 0.000 1.033 5.517) 5.613 6.947 ( 0.000 -0.439 6.950) 6.964 7.230 ( 0.000 4.160 4.704) 6.279 7.353 ( 0.000 -6.356 4.081) 7.554 7.460 ( 0.000 10.395 6.795) 12.419 7.660 ( 0.000 -3.395 5.128) 6.150 7.757 ( 0.000 4.988 4.253) 6.555 7.875 ( 0.000 -4.829 5.818) 7.561 7.945 ( 0.000 -1.054 12.094) 12.139 8.018 ( 0.000 -5.098 8.660) 10.049 8.067 ( 0.000 -1.944 -1.199) 2.285 8.070 ( 0.000 -3.500 2.161) 4.113 8.237 ( 0.000 1.849 10.638) 10.798 8.291 ( 0.000 -2.135 14.313) 14.471 8.432 ( 0.000 2.100 3.543) 4.118 8.475 ( 0.000 -3.753 -0.418) 3.776 8.482 ( 0.000 5.157 11.017) 12.164 8.631 ( 0.000 -6.440 13.029) 14.534 8.737 ( 0.000 2.214 -9.663) 9.913 8.781 ( 0.000 -0.928 -2.810) 2.959 8.954 ( 0.000 8.932 5.192) 10.331 9.060 ( 0.000 9.682 2.666) 10.042 9.156 ( 0.000 -3.225 1.816) 3.701 9.307 ( 0.000 -6.940 5.681) 8.969 9.564 ( 0.000 4.924 3.808) 6.225 9.658 ( 0.000 7.121 1.430) 7.263 9.672 ( 0.000 -3.023 13.829) 14.155 9.731 ( 0.000 -1.015 -0.076) 1.018 9.851 ( 0.000 -6.769 -12.157) 13.914 9.856 ( 0.000 -5.997 -6.488) 8.835 10.163 ( 0.000 4.282 -15.965) 16.529 10.166 ( 0.000 4.523 9.543) 10.561 10.261 ( 0.000 0.065 -14.650) 14.650 10.315 ( 0.000 -3.330 14.702) 15.074 10.798 ( 0.000 1.301 -26.382) 26.415 10.842 ( 0.000 -1.689 -20.678) 20.747 10.990 ( 0.000 3.543 -7.155) 7.984 11.094 ( 0.000 -4.353 1.446) 4.587 11.161 ( 0.000 1.677 -13.318) 13.423 11.195 ( 0.000 -1.478 -9.760) 9.872 11.353 ( 0.000 2.143 -0.735) 2.265 11.404 ( 0.000 -1.963 -2.833) 3.447 11.662 ( 0.000 0.629 -9.057) 9.079 11.682 ( 0.000 -0.989 -6.436) 6.511 12.110 ( 0.000 0.437 -1.903) 1.952 12.140 ( 0.000 -2.772 -2.497) 3.731 12.436 ( 0.000 1.277 -0.298) 1.311 12.462 ( 0.000 -0.835 -0.101) 0.841 12.562 ( 0.000 12.505 -2.111) 12.682 12.836 ( 0.000 -11.481 2.607) 11.774 13.258 ( 0.000 4.819 10.315) 11.385 13.282 ( 0.000 1.885 7.651) 7.880 13.410 ( 0.000 -1.369 6.714) 6.852 13.420 ( 0.000 -2.497 -1.112) 2.733 13.878 ( 0.000 -2.674 -3.174) 4.150 13.881 ( 0.000 -1.816 9.443) 9.617 14.039 ( 0.000 0.473 5.310) 5.331 14.127 ( 0.000 -4.041 14.858) 15.398 14.382 ( 0.000 3.631 -8.512) 9.255 14.457 ( 0.000 -0.500 -8.599) 8.614 14.500 ( 0.000 0.798 13.919) 13.941 14.504 ( 0.000 1.196 8.670) 8.752 14.623 ( 0.000 8.179 -1.263) 8.276 14.821 ( 0.000 -7.575 -5.565) 9.400 15.213 ( 0.000 3.263 6.246) 7.047 15.317 ( 0.000 -4.978 14.792) 15.607 15.541 ( 0.000 4.797 6.546) 8.115 15.615 ( 0.000 -1.036 9.709) 9.765 15.732 ( 0.000 0.860 6.822) 6.876 15.775 ( 0.000 -3.613 1.589) 3.947 15.901 ( 0.000 4.265 2.639) 5.016 16.034 ( 0.000 -5.924 12.921) 14.215 16.040 ( 0.000 5.257 7.383) 9.064 16.114 ( 0.000 -1.511 14.488) 14.567 16.427 ( 0.000 1.079 0.659) 1.264 16.466 ( 0.000 -2.260 2.924) 3.695 16.979 ( 0.000 4.269 4.787) 6.414 17.066 ( 0.000 -3.166 7.873) 8.486 17.328 ( 0.000 8.870 -1.518) 8.999 17.430 ( 0.000 7.213 3.797) 8.152 17.573 ( 0.000 -8.956 -5.714) 10.623 17.701 ( 0.000 -13.630 3.242) 14.010 18.488 ( 0.000 11.794 8.857) 14.750 18.701 ( 0.000 -7.287 12.593) 14.549 19.025 ( 0.000 5.894 -6.670) 8.901 19.125 ( 0.000 -2.960 -7.931) 8.465 19.745 ( 0.000 1.404 1.917) 2.376 19.754 ( 0.000 0.335 -1.575) 1.610 19.884 ( 0.000 2.257 -9.271) 9.542 19.994 ( 0.000 -6.865 -2.614) 7.346 20.351 ( 0.000 5.134 -0.084) 5.135 20.458 ( 0.000 -4.195 1.139) 4.347 20.573 ( 0.000 1.202 -2.236) 2.539 20.603 ( 0.000 -1.237 -1.085) 1.645 20.955 ( 0.000 4.052 -3.101) 5.103 21.050 ( 0.000 -4.053 -3.302) 5.228 22.286 ( 0.000 1.190 -1.371) 1.815 22.334 ( 0.000 -3.534 -0.022) 3.534 22.541 ( 0.000 1.215 13.453) 13.508 22.548 ( 0.000 0.020 13.610) 13.610 22.827 ( 0.000 13.599 -7.204) 15.389 23.001 ( 0.000 1.172 13.903) 13.953 23.022 ( 0.000 -1.186 15.119) 15.165 23.156 ( 0.000 -14.117 -5.589) 15.183 23.491 ( 0.000 1.780 -3.293) 3.743 23.518 ( 0.000 -0.780 -2.683) 2.794 24.403 ( 0.000 4.664 -12.807) 13.629 24.495 ( 0.000 -3.205 -12.682) 13.080 25.327 ( 0.000 2.818 -13.006) 13.307 25.393 ( 0.000 -2.708 -12.312) 12.606 ======================= Grid point 176 (70/72) ======================= q-point: ( 0.17 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 0.498 0.433 -4.125) 4.178 2.134 ( 0.435 -0.526 -5.222) 5.266 3.983 ( -0.979 0.198 -8.205) 8.265 3.993 ( -0.613 -0.555 -7.513) 7.558 4.173 ( 0.551 4.831 -9.999) 11.118 4.284 ( -1.111 -4.557 -7.832) 9.129 5.705 ( 0.665 1.360 -2.474) 2.900 5.733 ( 0.256 -1.000 -1.709) 1.997 6.723 ( -0.165 -0.392 3.788) 3.812 6.726 ( -0.236 -0.686 3.973) 4.039 6.926 ( -0.717 0.938 7.975) 8.062 6.942 ( -0.627 -0.414 8.622) 8.655 7.139 ( -7.028 4.641 3.937) 9.297 7.212 ( -8.821 0.326 2.538) 9.185 7.521 ( 0.043 0.515 7.433) 7.451 7.644 ( -8.399 -8.526 7.955) 14.371 7.793 ( 1.909 4.225 0.663) 4.683 7.827 ( 6.869 5.746 4.508) 10.027 7.896 ( -0.925 -2.689 4.833) 5.607 7.994 ( 2.444 -7.007 4.780) 8.828 8.175 ( -0.464 2.892 7.847) 8.376 8.214 ( 6.710 0.134 5.437) 8.637 8.237 ( 2.164 0.419 6.522) 6.884 8.285 ( 3.315 -4.481 8.710) 10.341 8.466 ( 1.733 -0.314 4.346) 4.689 8.478 ( 2.932 0.505 8.143) 8.669 8.543 ( 4.493 1.173 5.063) 6.870 8.658 ( 1.312 -6.082 7.874) 10.036 8.770 ( 3.587 1.764 -2.423) 4.674 8.806 ( 4.111 -0.870 3.996) 5.799 8.985 ( 1.760 8.862 8.063) 12.110 9.066 ( 1.169 10.562 -2.110) 10.834 9.157 ( -0.417 -6.147 7.049) 9.362 9.265 ( -1.885 -7.077 -0.864) 7.374 9.548 ( -1.953 4.092 4.820) 6.617 9.610 ( -3.856 1.417 6.295) 7.517 9.656 ( -2.096 3.055 2.773) 4.628 9.741 ( -0.714 -2.266 -2.486) 3.438 9.817 ( -0.606 -2.706 -6.643) 7.198 9.873 ( 0.684 -5.785 -9.552) 11.188 10.114 ( -2.899 5.630 -2.623) 6.855 10.168 ( -1.484 1.643 -2.973) 3.707 10.241 ( -1.116 1.079 -8.965) 9.098 10.303 ( -1.128 -3.556 11.483) 12.074 10.746 ( -5.199 0.714 -23.638) 24.214 10.766 ( -6.830 -0.361 -20.577) 21.684 11.062 ( 6.143 2.609 -8.330) 10.674 11.143 ( 3.720 -3.544 1.288) 5.297 11.225 ( 2.129 0.188 -3.383) 4.002 11.249 ( 5.222 -1.284 -8.859) 10.363 11.346 ( 0.798 2.000 -6.966) 7.291 11.392 ( -0.222 -1.834 -7.869) 8.082 11.691 ( 3.938 1.736 -8.074) 9.150 11.735 ( 5.523 -1.958 -7.219) 9.298 11.887 ( -20.130 1.402 -1.576) 20.240 11.937 ( -18.174 -3.094 -1.575) 18.503 12.364 ( -6.860 2.446 -0.791) 7.326 12.419 ( -4.374 -2.198 -0.644) 4.937 12.609 ( 5.389 13.322 -1.659) 14.466 12.918 ( 6.676 -13.670 1.763) 15.315 13.329 ( 7.387 5.122 9.797) 13.296 13.380 ( 8.945 0.845 6.997) 11.388 13.477 ( 5.791 -1.387 0.584) 5.983 13.491 ( 5.630 -1.372 4.495) 7.334 13.800 ( -11.116 0.136 2.415) 11.377 13.851 ( -3.168 -4.142 1.223) 5.356 14.036 ( 2.605 5.193 11.021) 12.458 14.162 ( -0.513 -5.649 9.143) 10.759 14.383 ( 2.819 4.150 -2.938) 5.814 14.461 ( 0.089 -1.518 -1.787) 2.346 14.507 ( 0.952 0.160 11.827) 11.866 14.530 ( 1.751 -1.618 1.097) 2.624 14.691 ( 8.997 6.347 -1.648) 11.133 14.830 ( 1.784 -5.732 -5.896) 8.414 15.247 ( 3.469 4.933 5.696) 8.295 15.358 ( 3.388 -3.654 13.903) 14.769 15.564 ( -0.048 2.750 9.142) 9.547 15.626 ( -2.351 -2.263 9.217) 9.777 15.728 ( 4.384 3.086 6.342) 8.305 15.814 ( 4.848 -4.227 6.264) 8.978 15.910 ( 1.690 4.695 1.045) 5.098 15.988 ( -3.523 3.410 14.923) 15.708 16.032 ( -3.762 -2.436 20.638) 21.119 16.087 ( -1.241 -5.690 3.015) 6.558 16.397 ( -3.009 1.730 -0.297) 3.483 16.434 ( -3.261 -0.940 0.856) 3.500 16.866 ( -11.926 4.922 2.836) 13.210 16.965 ( -10.856 -3.453 5.989) 12.870 17.362 ( 3.620 7.606 -1.473) 8.551 17.471 ( 4.142 5.775 3.289) 7.831 17.575 ( 0.188 -7.480 -5.310) 9.175 17.704 ( 0.172 -11.865 3.719) 12.436 18.493 ( 0.632 10.419 8.372) 13.381 18.682 ( -2.062 -6.349 11.169) 13.011 19.039 ( 1.644 5.292 -5.637) 7.905 19.137 ( 1.123 -3.169 -6.459) 7.282 19.796 ( 5.171 2.117 4.040) 6.895 19.824 ( 6.884 -0.305 -0.647) 6.921 19.947 ( 6.387 0.507 -10.001) 11.877 20.011 ( 1.901 -4.984 -3.615) 6.444 20.298 ( -5.180 4.477 0.226) 6.850 20.387 ( -6.838 -3.156 3.125) 8.154 20.541 ( -3.512 1.220 -3.224) 4.921 20.574 ( -3.574 -1.540 -3.171) 5.020 20.934 ( -2.058 3.527 -3.428) 5.331 21.014 ( -3.530 -3.289 -3.513) 5.968 22.375 ( 8.952 0.970 0.629) 9.026 22.414 ( 7.981 -2.800 2.203) 8.740 22.550 ( 1.134 0.939 12.593) 12.679 22.563 ( 1.911 -0.375 9.609) 9.804 22.829 ( 0.337 11.258 -2.991) 11.653 22.984 ( -1.688 -0.587 15.148) 15.253 23.033 ( 1.097 -0.008 11.273) 11.326 23.144 ( -1.244 -10.968 -5.988) 12.558 23.420 ( -7.556 1.632 -3.492) 8.482 23.444 ( -7.839 -0.683 -2.943) 8.401 24.407 ( 0.466 3.918 -12.793) 13.388 24.485 ( -0.937 -2.759 -12.750) 13.078 25.352 ( 2.447 2.335 -12.714) 13.156 25.407 ( 1.352 -2.285 -12.151) 12.437 ======================= Grid point 177 (71/72) ======================= q-point: ( 0.33 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 0.622 0.338 -4.371) 4.428 2.142 ( 0.295 -0.339 -4.961) 4.981 3.967 ( -0.523 0.614 -7.632) 7.675 3.979 ( -0.841 -0.214 -6.868) 6.922 4.189 ( 1.213 2.527 -9.656) 10.055 4.255 ( -1.939 -2.978 -8.190) 8.927 5.720 ( 0.831 0.828 -2.228) 2.518 5.737 ( 0.032 -0.596 -1.778) 1.875 6.719 ( -0.265 -0.511 4.173) 4.212 6.721 ( -0.347 -0.664 4.222) 4.288 6.885 ( -3.189 1.312 14.375) 14.783 6.909 ( -3.165 -0.938 13.592) 13.987 7.060 ( -1.018 3.857 -1.224) 4.172 7.097 ( -3.249 1.954 -2.994) 4.831 7.469 ( -3.910 -1.866 4.348) 6.138 7.495 ( -5.773 -4.725 7.499) 10.578 7.840 ( 3.353 3.130 2.988) 5.474 7.894 ( 0.970 -0.710 10.063) 10.134 7.974 ( 4.454 0.682 4.873) 6.637 8.052 ( -0.689 -4.586 6.784) 8.218 8.129 ( 0.218 4.300 -2.476) 4.967 8.220 ( 0.366 -0.897 -0.325) 1.021 8.333 ( 5.652 0.694 4.487) 7.249 8.386 ( 3.059 -3.679 2.620) 5.455 8.484 ( 1.529 -0.591 7.201) 7.385 8.516 ( 0.215 -2.909 4.099) 5.031 8.638 ( 4.614 1.477 10.252) 11.339 8.686 ( 3.235 -2.933 9.923) 10.841 8.846 ( 0.437 3.570 9.002) 9.694 8.889 ( 3.066 -0.559 13.719) 14.068 8.997 ( 1.670 2.417 1.446) 3.274 9.010 ( -4.634 1.900 8.225) 9.630 9.242 ( 9.102 2.470 -1.501) 9.550 9.320 ( 5.539 -3.964 3.163) 7.510 9.496 ( -3.398 2.604 3.746) 5.688 9.531 ( -3.009 -0.790 4.140) 5.179 9.628 ( -0.595 4.643 -6.790) 8.247 9.716 ( -0.791 -2.581 -4.660) 5.386 9.808 ( -2.381 0.234 -11.215) 11.467 9.856 ( -3.353 -3.498 -7.332) 8.789 10.098 ( 1.861 3.388 3.569) 5.261 10.142 ( -0.087 -1.006 -3.955) 4.082 10.237 ( 0.455 2.204 -3.968) 4.562 10.294 ( 0.270 -2.658 2.797) 3.868 10.625 ( -6.610 0.840 -18.515) 19.678 10.634 ( -6.999 0.320 -18.323) 19.617 11.119 ( -2.892 0.735 6.804) 7.429 11.170 ( -2.199 -3.230 3.822) 5.466 11.237 ( 3.409 2.169 -9.181) 10.031 11.313 ( 3.432 -3.425 -11.360) 12.351 11.389 ( 0.186 0.695 -10.894) 10.918 11.408 ( 0.215 -1.028 -12.884) 12.927 11.520 ( -13.740 3.822 -2.604) 14.498 11.599 ( -14.712 -3.156 -0.242) 15.049 11.837 ( 9.785 2.305 -7.542) 12.567 11.894 ( 10.258 -2.623 -7.394) 12.915 12.217 ( -8.250 4.193 -3.641) 9.945 12.308 ( -7.643 -3.544 -3.223) 9.020 12.763 ( 11.209 10.849 0.451) 15.606 13.039 ( 5.289 -13.220 3.004) 14.552 13.461 ( 0.217 4.212 6.796) 7.999 13.483 ( -8.255 0.869 4.867) 9.623 13.544 ( 2.993 0.731 8.327) 8.879 13.575 ( 9.084 -0.569 8.380) 12.372 13.673 ( 6.659 2.410 -3.633) 7.959 13.775 ( -3.010 -5.745 -1.146) 6.586 14.031 ( -5.504 1.878 5.858) 8.255 14.069 ( -8.727 -1.361 3.277) 9.421 14.480 ( 5.940 1.353 2.585) 6.618 14.489 ( 4.132 0.448 4.394) 6.048 14.552 ( 3.143 -0.528 7.778) 8.406 14.572 ( 2.147 -1.376 -0.001) 2.550 14.887 ( 7.304 -0.875 -3.242) 8.039 14.896 ( 6.449 -1.380 -4.744) 8.124 15.314 ( 1.359 5.848 4.464) 7.482 15.390 ( -1.046 -0.720 8.500) 8.594 15.545 ( -0.788 0.805 14.634) 14.677 15.587 ( 5.494 -2.037 18.760) 19.653 15.880 ( -1.514 0.891 18.649) 18.731 15.883 ( 0.550 1.226 18.746) 18.794 15.897 ( -5.023 1.086 18.585) 19.283 15.946 ( 7.409 0.040 7.081) 10.249 16.012 ( 8.562 -0.909 1.462) 8.733 16.102 ( 2.213 -7.248 -4.708) 8.921 16.330 ( -4.011 2.587 -1.327) 4.954 16.360 ( -4.035 0.734 -3.114) 5.150 16.576 ( -18.065 6.229 -1.153) 19.144 16.696 ( -17.157 -4.051 2.968) 17.877 17.448 ( 5.209 4.381 -2.499) 7.250 17.555 ( 2.891 -1.459 -0.138) 3.242 17.581 ( 1.660 0.136 -1.864) 2.500 17.697 ( -1.255 -7.046 4.757) 8.594 18.515 ( 1.924 6.361 7.414) 9.957 18.629 ( -3.453 -3.527 8.638) 9.948 19.084 ( 3.091 3.199 -3.961) 5.957 19.155 ( 0.361 -2.714 -4.190) 5.005 19.914 ( 7.098 1.509 5.850) 9.321 19.959 ( 6.140 -2.479 4.163) 7.822 20.076 ( 6.114 -0.291 -6.991) 9.292 20.083 ( 5.448 -0.824 -5.623) 7.873 20.203 ( -3.108 2.280 -1.745) 4.231 20.249 ( -6.433 -1.175 3.201) 7.281 20.447 ( -6.553 0.868 -5.722) 8.742 20.467 ( -7.832 -0.725 -4.583) 9.103 20.894 ( -1.782 2.134 -4.083) 4.939 20.940 ( -4.013 -1.704 -4.314) 6.133 22.523 ( 3.621 0.386 14.759) 15.201 22.533 ( 2.110 -0.440 14.562) 14.721 22.649 ( 12.343 0.575 -2.225) 12.555 22.670 ( 11.306 -1.462 -3.405) 11.898 22.845 ( 1.550 5.635 5.690) 8.157 22.942 ( -2.737 -2.363 15.938) 16.343 23.058 ( 1.373 0.817 4.235) 4.526 23.111 ( -2.552 -4.273 -5.268) 7.248 23.233 ( -12.011 1.002 -4.103) 12.732 23.249 ( -12.446 -0.464 -4.066) 13.101 24.420 ( 0.937 2.150 -12.757) 12.971 24.464 ( -1.292 -1.568 -12.795) 12.955 25.401 ( 2.551 1.233 -12.182) 12.507 25.431 ( 0.982 -1.269 -11.891) 11.998 ======================= Grid point 178 (72/72) ======================= q-point: (-0.50 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -0.253 0.026 -4.669) 4.676 2.142 ( 0.253 0.026 -4.669) 4.676 3.967 ( -0.402 0.413 -6.948) 6.971 3.967 ( 0.402 0.413 -6.947) 6.971 4.218 ( -1.945 -0.436 -8.910) 9.130 4.218 ( 1.945 -0.436 -8.910) 9.131 5.733 ( -0.499 0.087 -1.964) 2.028 5.733 ( 0.499 0.087 -1.964) 2.028 6.716 ( -0.076 -0.616 4.658) 4.699 6.716 ( 0.076 -0.616 4.658) 4.699 6.860 ( -1.057 0.058 15.323) 15.360 6.860 ( 1.057 0.058 15.323) 15.360 7.067 ( -0.959 2.974 -4.433) 5.424 7.067 ( 0.960 2.974 -4.433) 5.424 7.434 ( -0.782 -2.203 5.966) 6.408 7.434 ( 0.782 -2.203 5.966) 6.408 7.898 ( -1.769 -0.318 10.899) 11.047 7.898 ( 1.769 -0.318 10.899) 11.047 8.000 ( -1.647 0.860 4.415) 4.790 8.000 ( 1.647 0.860 4.415) 4.790 8.192 ( -3.954 -1.158 -10.248) 11.045 8.192 ( 3.954 -1.158 -10.248) 11.046 8.406 ( -1.211 -1.814 7.510) 7.821 8.406 ( 1.211 -1.814 7.510) 7.821 8.513 ( -0.700 -2.036 4.059) 4.595 8.513 ( 0.700 -2.036 4.059) 4.595 8.708 ( -2.611 0.593 15.756) 15.982 8.708 ( 2.611 0.593 15.756) 15.982 8.839 ( -2.743 3.001 9.583) 10.410 8.839 ( 2.743 3.002 9.583) 10.410 9.026 ( -0.909 -0.261 4.368) 4.469 9.026 ( 0.909 -0.261 4.368) 4.469 9.345 ( -3.169 0.648 8.630) 9.217 9.345 ( 3.169 0.648 8.630) 9.217 9.509 ( -2.742 1.060 3.328) 4.441 9.509 ( 2.742 1.060 3.328) 4.441 9.660 ( -5.449 0.471 -17.322) 18.165 9.660 ( 5.449 0.471 -17.322) 18.165 9.785 ( -2.786 -0.636 -2.656) 3.901 9.785 ( 2.786 -0.636 -2.656) 3.901 10.145 ( -1.712 -0.173 -6.275) 6.507 10.145 ( 1.713 -0.173 -6.275) 6.507 10.271 ( -3.057 -0.033 0.650) 3.126 10.271 ( 3.058 -0.033 0.650) 3.126 10.557 ( -0.204 0.472 -14.652) 14.661 10.557 ( 0.204 0.472 -14.652) 14.661 11.085 ( -2.398 -1.034 5.215) 5.832 11.085 ( 2.398 -1.034 5.215) 5.832 11.315 ( -3.539 0.990 -7.895) 8.709 11.315 ( 3.539 0.990 -7.895) 8.709 11.380 ( -2.875 -1.800 -7.567) 8.292 11.380 ( 2.875 -1.800 -7.567) 8.292 11.453 ( -1.208 0.833 -8.755) 8.877 11.453 ( 1.209 0.833 -8.755) 8.877 12.000 ( -5.194 0.470 -4.977) 7.209 12.000 ( 5.195 0.470 -4.977) 7.209 12.155 ( -6.770 -0.590 -6.659) 9.514 12.155 ( 6.770 -0.590 -6.659) 9.514 12.991 ( -11.376 1.989 2.735) 11.868 12.991 ( 11.376 1.989 2.735) 11.868 13.391 ( -4.497 -1.386 4.809) 6.729 13.391 ( 4.497 -1.387 4.809) 6.729 13.632 ( -3.589 -0.928 8.639) 9.400 13.632 ( 3.589 -0.928 8.638) 9.400 13.836 ( -2.766 -0.518 -0.053) 2.815 13.836 ( 2.767 -0.518 -0.053) 2.815 13.893 ( -3.197 0.599 0.636) 3.314 13.893 ( 3.197 0.600 0.636) 3.314 14.556 ( -0.355 0.387 1.218) 1.326 14.556 ( 0.355 0.387 1.218) 1.326 14.579 ( -0.906 -0.443 5.720) 5.808 14.579 ( 0.906 -0.443 5.720) 5.808 14.960 ( -1.735 -0.291 -3.512) 3.928 14.960 ( 1.735 -0.291 -3.512) 3.928 15.323 ( -3.059 0.527 4.859) 5.766 15.323 ( 3.059 0.527 4.859) 5.766 15.678 ( -9.728 1.737 25.542) 27.387 15.678 ( 9.728 1.737 25.542) 27.387 15.745 ( -7.093 -1.480 24.758) 25.797 15.745 ( 7.093 -1.480 24.758) 25.797 16.075 ( -6.564 -0.252 -0.087) 6.569 16.075 ( 6.564 -0.252 -0.086) 6.569 16.097 ( -5.352 -1.369 5.064) 7.494 16.097 ( 5.352 -1.369 5.064) 7.494 16.298 ( -3.814 3.778 -6.278) 8.260 16.298 ( 3.814 3.778 -6.278) 8.260 16.410 ( -9.802 -1.521 -0.304) 9.924 16.410 ( 9.802 -1.521 -0.304) 9.924 17.532 ( -3.382 -0.243 -4.380) 5.539 17.532 ( 3.382 -0.243 -4.380) 5.539 17.652 ( -3.656 -1.093 4.452) 5.864 17.652 ( 3.656 -1.093 4.452) 5.864 18.565 ( -3.320 0.989 7.228) 8.015 18.565 ( 3.320 0.989 7.228) 8.015 19.138 ( -2.229 -0.134 -3.313) 3.995 19.138 ( 2.229 -0.134 -3.313) 3.995 20.019 ( -1.510 -0.703 3.830) 4.177 20.019 ( 1.510 -0.703 3.830) 4.177 20.091 ( -1.972 -0.299 6.271) 6.580 20.091 ( 1.972 -0.299 6.271) 6.580 20.258 ( -3.840 -0.075 -9.960) 10.675 20.258 ( 3.840 -0.075 -9.960) 10.675 20.335 ( -2.107 0.905 -5.256) 5.734 20.335 ( 2.107 0.905 -5.256) 5.734 20.887 ( -1.322 0.188 -4.652) 4.840 20.887 ( 1.322 0.188 -4.652) 4.840 22.547 ( -0.066 0.070 14.819) 14.819 22.547 ( 0.066 0.070 14.819) 14.819 22.852 ( -0.733 -0.054 -1.817) 1.959 22.852 ( 0.733 -0.054 -1.817) 1.959 22.894 ( -3.398 -0.069 13.494) 13.915 22.894 ( 3.398 -0.069 13.494) 13.915 23.019 ( -0.519 -0.569 -4.869) 4.930 23.019 ( 0.519 -0.569 -4.869) 4.930 23.107 ( -1.978 0.338 -3.578) 4.102 23.107 ( 1.978 0.338 -3.578) 4.102 24.440 ( -1.243 0.153 -12.759) 12.821 24.440 ( 1.243 0.153 -12.759) 12.821 25.434 ( -0.829 -0.034 -11.861) 11.890 25.434 ( 0.829 -0.034 -11.861) 11.890 =================== 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 3/36720 10.0 3688.275 1193.664 4526.888 0.000 0.000 -0.000 3/36720 20.0 733.200 368.371 693.050 0.000 0.000 -0.000 3/36720 30.0 230.614 96.546 227.854 0.000 0.000 -0.000 3/36720 40.0 104.571 41.951 125.619 0.000 0.000 -0.000 3/36720 50.0 60.624 24.368 88.741 0.000 0.000 -0.000 3/36720 60.0 40.774 16.678 70.807 0.000 0.000 -0.000 3/36720 70.0 30.032 12.568 59.980 0.000 0.000 -0.000 3/36720 80.0 23.457 10.052 52.402 0.000 0.000 -0.000 3/36720 90.0 19.076 8.362 46.599 0.000 0.000 -0.000 3/36720 100.0 15.979 7.149 41.920 0.000 0.000 -0.000 3/36720 110.0 13.692 6.236 38.038 0.000 0.000 -0.000 3/36720 120.0 11.946 5.525 34.761 0.000 0.000 -0.000 3/36720 130.0 10.578 4.957 31.960 0.000 0.000 -0.000 3/36720 140.0 9.481 4.493 29.546 0.000 0.000 -0.000 3/36720 150.0 8.585 4.107 27.448 0.000 0.000 -0.000 3/36720 160.0 7.843 3.783 25.614 0.000 0.000 -0.000 3/36720 170.0 7.218 3.506 23.999 0.000 0.000 -0.000 3/36720 180.0 6.687 3.267 22.570 0.000 0.000 -0.000 3/36720 190.0 6.230 3.059 21.299 0.000 0.000 -0.000 3/36720 200.0 5.832 2.877 20.161 0.000 0.000 -0.000 3/36720 210.0 5.484 2.716 19.139 0.000 0.000 -0.000 3/36720 220.0 5.177 2.573 18.216 0.000 0.000 -0.000 3/36720 230.0 4.903 2.444 17.378 0.000 0.000 -0.000 3/36720 240.0 4.658 2.329 16.616 0.000 0.000 -0.000 3/36720 250.0 4.438 2.224 15.919 0.000 0.000 -0.000 3/36720 260.0 4.238 2.129 15.279 0.000 0.000 -0.000 3/36720 270.0 4.057 2.042 14.690 0.000 0.000 -0.000 3/36720 280.0 3.891 1.962 14.146 0.000 0.000 -0.000 3/36720 290.0 3.739 1.889 13.643 0.000 0.000 -0.000 3/36720 300.0 3.599 1.821 13.174 0.000 0.000 -0.000 3/36720 310.0 3.470 1.758 12.738 0.000 0.000 -0.000 3/36720 320.0 3.350 1.700 12.331 0.000 0.000 -0.000 3/36720 330.0 3.238 1.645 11.950 0.000 0.000 -0.000 3/36720 340.0 3.134 1.594 11.592 0.000 0.000 -0.000 3/36720 350.0 3.037 1.547 11.256 0.000 0.000 -0.000 3/36720 360.0 2.946 1.502 10.939 0.000 0.000 -0.000 3/36720 370.0 2.860 1.460 10.640 0.000 0.000 -0.000 3/36720 380.0 2.780 1.420 10.357 0.000 0.000 -0.000 3/36720 390.0 2.704 1.382 10.090 0.000 0.000 -0.000 3/36720 400.0 2.632 1.347 9.836 0.000 0.000 -0.000 3/36720 410.0 2.564 1.313 9.595 0.000 0.000 -0.000 3/36720 420.0 2.500 1.281 9.365 0.000 0.000 -0.000 3/36720 430.0 2.439 1.250 9.147 0.000 0.000 -0.000 3/36720 440.0 2.381 1.221 8.939 0.000 0.000 -0.000 3/36720 450.0 2.325 1.194 8.740 0.000 0.000 -0.000 3/36720 460.0 2.273 1.167 8.550 0.000 0.000 -0.000 3/36720 470.0 2.222 1.142 8.368 0.000 0.000 -0.000 3/36720 480.0 2.174 1.118 8.194 0.000 0.000 -0.000 3/36720 490.0 2.128 1.095 8.027 0.000 0.000 -0.000 3/36720 500.0 2.084 1.073 7.867 0.000 0.000 -0.000 3/36720 510.0 2.042 1.052 7.714 0.000 0.000 -0.000 3/36720 520.0 2.002 1.031 7.566 0.000 0.000 -0.000 3/36720 530.0 1.963 1.012 7.424 0.000 0.000 -0.000 3/36720 540.0 1.926 0.993 7.287 0.000 0.000 -0.000 3/36720 550.0 1.890 0.975 7.155 0.000 0.000 -0.000 3/36720 560.0 1.855 0.957 7.028 0.000 0.000 -0.000 3/36720 570.0 1.822 0.940 6.905 0.000 0.000 -0.000 3/36720 580.0 1.790 0.924 6.786 0.000 0.000 -0.000 3/36720 590.0 1.759 0.908 6.672 0.000 0.000 -0.000 3/36720 600.0 1.729 0.893 6.562 0.000 0.000 -0.000 3/36720 610.0 1.700 0.878 6.455 0.000 0.000 -0.000 3/36720 620.0 1.672 0.864 6.351 0.000 0.000 -0.000 3/36720 630.0 1.645 0.850 6.251 0.000 0.000 -0.000 3/36720 640.0 1.619 0.837 6.154 0.000 0.000 -0.000 3/36720 650.0 1.593 0.824 6.060 0.000 0.000 -0.000 3/36720 660.0 1.569 0.812 5.968 0.000 0.000 -0.000 3/36720 670.0 1.545 0.799 5.880 0.000 0.000 -0.000 3/36720 680.0 1.522 0.788 5.794 0.000 0.000 -0.000 3/36720 690.0 1.500 0.776 5.710 0.000 0.000 -0.000 3/36720 700.0 1.478 0.765 5.629 0.000 0.000 -0.000 3/36720 710.0 1.457 0.754 5.551 0.000 0.000 -0.000 3/36720 720.0 1.436 0.744 5.474 0.000 0.000 -0.000 3/36720 730.0 1.416 0.734 5.399 0.000 0.000 -0.000 3/36720 740.0 1.397 0.724 5.327 0.000 0.000 -0.000 3/36720 750.0 1.378 0.714 5.256 0.000 0.000 -0.000 3/36720 760.0 1.360 0.705 5.188 0.000 0.000 -0.000 3/36720 770.0 1.342 0.696 5.121 0.000 0.000 -0.000 3/36720 780.0 1.325 0.687 5.055 0.000 0.000 -0.000 3/36720 790.0 1.308 0.678 4.992 0.000 0.000 -0.000 3/36720 800.0 1.291 0.670 4.930 0.000 0.000 -0.000 3/36720 810.0 1.275 0.661 4.869 0.000 0.000 -0.000 3/36720 820.0 1.259 0.653 4.810 0.000 0.000 -0.000 3/36720 830.0 1.244 0.645 4.753 0.000 0.000 -0.000 3/36720 840.0 1.229 0.638 4.696 0.000 0.000 -0.000 3/36720 850.0 1.215 0.630 4.641 0.000 0.000 -0.000 3/36720 860.0 1.200 0.623 4.588 0.000 0.000 -0.000 3/36720 870.0 1.186 0.616 4.535 0.000 0.000 -0.000 3/36720 880.0 1.173 0.609 4.484 0.000 0.000 -0.000 3/36720 890.0 1.160 0.602 4.434 0.000 0.000 -0.000 3/36720 900.0 1.147 0.595 4.385 0.000 0.000 -0.000 3/36720 910.0 1.134 0.589 4.337 0.000 0.000 -0.000 3/36720 920.0 1.122 0.582 4.290 0.000 0.000 -0.000 3/36720 930.0 1.109 0.576 4.244 0.000 0.000 -0.000 3/36720 940.0 1.097 0.570 4.199 0.000 0.000 -0.000 3/36720 950.0 1.086 0.564 4.155 0.000 0.000 -0.000 3/36720 960.0 1.074 0.558 4.112 0.000 0.000 -0.000 3/36720 970.0 1.063 0.552 4.070 0.000 0.000 -0.000 3/36720 980.0 1.052 0.547 4.029 0.000 0.000 -0.000 3/36720 990.0 1.042 0.541 3.988 0.000 0.000 -0.000 3/36720 1000.0 1.031 0.536 3.949 0.000 0.000 -0.000 3/36720 Thermal conductivity related properties were written into "kappa-m6317.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:30:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|