----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:58:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.557323311361178 0.000000000000000 0.000000000000000 b 0.000000000000000 5.106177449999999 0.000000000000000 c -5.532039793333429 0.000000000000000 9.127202251834584 Atomic positions (fractional): *1 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 2 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 *3 H 0.30421312638706 0.97824832588775 0.53149708672463 1.008 4 H 0.30421312638706 0.52175167411225 0.03149708672463 1.008 5 H 0.69578687361294 0.02175167411225 0.46850291327537 1.008 6 H 0.69578687361294 0.47824832588775 0.96850291327537 1.008 *7 Se 0.68097674694611 0.67307273275327 0.66551380599082 78.960 8 Se 0.68097674694611 0.82692726724673 0.16551380599082 78.960 9 Se 0.31902325305389 0.32692726724673 0.33448619400918 78.960 10 Se 0.31902325305389 0.17307273275327 0.83448619400918 78.960 *11 O 0.85157237203841 0.91775953739565 0.78407815644794 15.999 12 O 0.85157237203841 0.58224046260435 0.28407815644794 15.999 13 O 0.14842762796159 0.08224046260435 0.21592184355206 15.999 14 O 0.14842762796159 0.41775953739565 0.71592184355206 15.999 *15 O 0.73174151009909 0.74764161678582 0.52326427324278 15.999 16 O 0.73174151009909 0.75235838321418 0.02326427324278 15.999 17 O 0.26825848990091 0.25235838321418 0.47673572675722 15.999 18 O 0.26825848990091 0.24764161678582 0.97673572675722 15.999 *19 O 0.32068833718926 0.79290681431116 0.57788849912783 15.999 20 O 0.32068833718926 0.70709318568884 0.07788849912783 15.999 21 O 0.67931166281074 0.20709318568884 0.42211150087217 15.999 22 O 0.67931166281074 0.29290681431116 0.92211150087217 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.557323311361178 0.000000000000000 0.000000000000000 b 0.000000000000000 5.106177449999999 0.000000000000000 c -5.532039793333429 0.000000000000000 9.127202251834584 Atomic positions (fractional): *1 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 1 2 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 2 *3 H 0.30421312638706 0.97824832588775 0.53149708672463 1.008 > 3 4 H 0.30421312638706 0.52175167411225 0.03149708672463 1.008 > 4 5 H 0.69578687361294 0.02175167411225 0.46850291327537 1.008 > 5 6 H 0.69578687361294 0.47824832588775 0.96850291327537 1.008 > 6 *7 Se 0.68097674694611 0.67307273275327 0.66551380599082 78.960 > 7 8 Se 0.68097674694611 0.82692726724673 0.16551380599082 78.960 > 8 9 Se 0.31902325305389 0.32692726724673 0.33448619400918 78.960 > 9 10 Se 0.31902325305389 0.17307273275327 0.83448619400918 78.960 > 10 *11 O 0.85157237203841 0.91775953739565 0.78407815644794 15.999 > 11 12 O 0.85157237203841 0.58224046260435 0.28407815644794 15.999 > 12 13 O 0.14842762796159 0.08224046260435 0.21592184355206 15.999 > 13 14 O 0.14842762796159 0.41775953739565 0.71592184355206 15.999 > 14 *15 O 0.73174151009909 0.74764161678582 0.52326427324278 15.999 > 15 16 O 0.73174151009909 0.75235838321418 0.02326427324278 15.999 > 16 17 O 0.26825848990091 0.25235838321418 0.47673572675722 15.999 > 17 18 O 0.26825848990091 0.24764161678582 0.97673572675722 15.999 > 18 *19 O 0.32068833718926 0.79290681431116 0.57788849912783 15.999 > 19 20 O 0.32068833718926 0.70709318568884 0.07788849912783 15.999 > 20 21 O 0.67931166281074 0.20709318568884 0.42211150087217 15.999 > 21 22 O 0.67931166281074 0.29290681431116 0.92211150087217 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.114646622722356 0.000000000000000 0.000000000000000 b 0.000000000000000 15.318532349999996 0.000000000000000 c -5.532039793333429 0.000000000000000 9.127202251834584 Atomic positions (fractional): *1 Mg 0.00000000000000 0.16666666666667 0.50000000000000 24.305 > 1 2 Mg 0.50000000000000 0.16666666666667 0.50000000000000 24.305 > 1 3 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 1 4 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 1 5 Mg 0.00000000000000 0.83333333333333 0.50000000000000 24.305 > 1 6 Mg 0.50000000000000 0.83333333333333 0.50000000000000 24.305 > 1 7 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 2 8 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 2 9 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 2 10 Mg 0.50000000000000 0.33333333333333 0.00000000000000 24.305 > 2 11 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 2 12 Mg 0.50000000000000 0.66666666666667 0.00000000000000 24.305 > 2 *13 H 0.15210656319353 0.32608277529592 0.53149708672463 1.008 > 3 14 H 0.65210656319353 0.32608277529592 0.53149708672463 1.008 > 3 15 H 0.15210656319353 0.65941610862925 0.53149708672463 1.008 > 3 16 H 0.65210656319353 0.65941610862925 0.53149708672463 1.008 > 3 17 H 0.15210656319353 0.99274944196258 0.53149708672463 1.008 > 3 18 H 0.65210656319353 0.99274944196258 0.53149708672463 1.008 > 3 19 H 0.15210656319353 0.17391722470408 0.03149708672463 1.008 > 4 20 H 0.65210656319353 0.17391722470408 0.03149708672463 1.008 > 4 21 H 0.15210656319353 0.50725055803742 0.03149708672463 1.008 > 4 22 H 0.65210656319353 0.50725055803742 0.03149708672463 1.008 > 4 23 H 0.15210656319353 0.84058389137075 0.03149708672463 1.008 > 4 24 H 0.65210656319353 0.84058389137075 0.03149708672463 1.008 > 4 25 H 0.34789343680647 0.00725055803742 0.46850291327537 1.008 > 5 26 H 0.84789343680647 0.00725055803742 0.46850291327537 1.008 > 5 27 H 0.34789343680647 0.34058389137075 0.46850291327537 1.008 > 5 28 H 0.84789343680647 0.34058389137075 0.46850291327537 1.008 > 5 29 H 0.34789343680647 0.67391722470408 0.46850291327537 1.008 > 5 30 H 0.84789343680647 0.67391722470408 0.46850291327537 1.008 > 5 31 H 0.34789343680647 0.15941610862925 0.96850291327537 1.008 > 6 32 H 0.84789343680647 0.15941610862925 0.96850291327537 1.008 > 6 33 H 0.34789343680647 0.49274944196258 0.96850291327537 1.008 > 6 34 H 0.84789343680647 0.49274944196258 0.96850291327537 1.008 > 6 35 H 0.34789343680647 0.82608277529592 0.96850291327537 1.008 > 6 36 H 0.84789343680647 0.82608277529592 0.96850291327537 1.008 > 6 *37 Se 0.34048837347305 0.22435757758442 0.66551380599082 78.960 > 7 38 Se 0.84048837347305 0.22435757758442 0.66551380599082 78.960 > 7 39 Se 0.34048837347305 0.55769091091776 0.66551380599082 78.960 > 7 40 Se 0.84048837347305 0.55769091091776 0.66551380599082 78.960 > 7 41 Se 0.34048837347305 0.89102424425109 0.66551380599082 78.960 > 7 42 Se 0.84048837347305 0.89102424425109 0.66551380599082 78.960 > 7 43 Se 0.34048837347305 0.27564242241558 0.16551380599082 78.960 > 8 44 Se 0.84048837347305 0.27564242241558 0.16551380599082 78.960 > 8 45 Se 0.34048837347305 0.60897575574891 0.16551380599082 78.960 > 8 46 Se 0.84048837347305 0.60897575574891 0.16551380599082 78.960 > 8 47 Se 0.34048837347305 0.94230908908224 0.16551380599082 78.960 > 8 48 Se 0.84048837347305 0.94230908908224 0.16551380599082 78.960 > 8 49 Se 0.15951162652695 0.10897575574891 0.33448619400918 78.960 > 9 50 Se 0.65951162652695 0.10897575574891 0.33448619400918 78.960 > 9 51 Se 0.15951162652695 0.44230908908224 0.33448619400918 78.960 > 9 52 Se 0.65951162652695 0.44230908908224 0.33448619400918 78.960 > 9 53 Se 0.15951162652695 0.77564242241558 0.33448619400918 78.960 > 9 54 Se 0.65951162652695 0.77564242241558 0.33448619400918 78.960 > 9 55 Se 0.15951162652695 0.05769091091776 0.83448619400918 78.960 > 10 56 Se 0.65951162652695 0.05769091091776 0.83448619400918 78.960 > 10 57 Se 0.15951162652695 0.39102424425109 0.83448619400918 78.960 > 10 58 Se 0.65951162652695 0.39102424425109 0.83448619400918 78.960 > 10 59 Se 0.15951162652695 0.72435757758442 0.83448619400918 78.960 > 10 60 Se 0.65951162652695 0.72435757758442 0.83448619400918 78.960 > 10 *61 O 0.42578618601921 0.30591984579855 0.78407815644794 15.999 > 11 62 O 0.92578618601921 0.30591984579855 0.78407815644794 15.999 > 11 63 O 0.42578618601921 0.63925317913188 0.78407815644794 15.999 > 11 64 O 0.92578618601921 0.63925317913188 0.78407815644794 15.999 > 11 65 O 0.42578618601921 0.97258651246522 0.78407815644794 15.999 > 11 66 O 0.92578618601921 0.97258651246522 0.78407815644794 15.999 > 11 67 O 0.42578618601921 0.19408015420145 0.28407815644794 15.999 > 12 68 O 0.92578618601921 0.19408015420145 0.28407815644794 15.999 > 12 69 O 0.42578618601921 0.52741348753478 0.28407815644794 15.999 > 12 70 O 0.92578618601921 0.52741348753478 0.28407815644794 15.999 > 12 71 O 0.42578618601921 0.86074682086812 0.28407815644794 15.999 > 12 72 O 0.92578618601921 0.86074682086812 0.28407815644794 15.999 > 12 73 O 0.07421381398079 0.02741348753478 0.21592184355206 15.999 > 13 74 O 0.57421381398079 0.02741348753478 0.21592184355206 15.999 > 13 75 O 0.07421381398079 0.36074682086812 0.21592184355206 15.999 > 13 76 O 0.57421381398079 0.36074682086812 0.21592184355206 15.999 > 13 77 O 0.07421381398079 0.69408015420145 0.21592184355206 15.999 > 13 78 O 0.57421381398079 0.69408015420145 0.21592184355206 15.999 > 13 79 O 0.07421381398079 0.13925317913188 0.71592184355206 15.999 > 14 80 O 0.57421381398079 0.13925317913188 0.71592184355206 15.999 > 14 81 O 0.07421381398079 0.47258651246522 0.71592184355206 15.999 > 14 82 O 0.57421381398079 0.47258651246522 0.71592184355206 15.999 > 14 83 O 0.07421381398079 0.80591984579855 0.71592184355206 15.999 > 14 84 O 0.57421381398079 0.80591984579855 0.71592184355206 15.999 > 14 *85 O 0.36587075504954 0.24921387226194 0.52326427324278 15.999 > 15 86 O 0.86587075504954 0.24921387226194 0.52326427324278 15.999 > 15 87 O 0.36587075504954 0.58254720559527 0.52326427324278 15.999 > 15 88 O 0.86587075504954 0.58254720559527 0.52326427324278 15.999 > 15 89 O 0.36587075504954 0.91588053892861 0.52326427324278 15.999 > 15 90 O 0.86587075504954 0.91588053892861 0.52326427324278 15.999 > 15 91 O 0.36587075504954 0.25078612773806 0.02326427324278 15.999 > 16 92 O 0.86587075504954 0.25078612773806 0.02326427324278 15.999 > 16 93 O 0.36587075504954 0.58411946107139 0.02326427324278 15.999 > 16 94 O 0.86587075504954 0.58411946107139 0.02326427324278 15.999 > 16 95 O 0.36587075504954 0.91745279440473 0.02326427324278 15.999 > 16 96 O 0.86587075504954 0.91745279440473 0.02326427324278 15.999 > 16 97 O 0.13412924495046 0.08411946107139 0.47673572675722 15.999 > 17 98 O 0.63412924495046 0.08411946107139 0.47673572675722 15.999 > 17 99 O 0.13412924495046 0.41745279440473 0.47673572675722 15.999 > 17 100 O 0.63412924495046 0.41745279440473 0.47673572675722 15.999 > 17 101 O 0.13412924495046 0.75078612773806 0.47673572675722 15.999 > 17 102 O 0.63412924495046 0.75078612773806 0.47673572675722 15.999 > 17 103 O 0.13412924495046 0.08254720559527 0.97673572675722 15.999 > 18 104 O 0.63412924495046 0.08254720559527 0.97673572675722 15.999 > 18 105 O 0.13412924495046 0.41588053892861 0.97673572675722 15.999 > 18 106 O 0.63412924495046 0.41588053892861 0.97673572675722 15.999 > 18 107 O 0.13412924495046 0.74921387226194 0.97673572675722 15.999 > 18 108 O 0.63412924495046 0.74921387226194 0.97673572675722 15.999 > 18 *109 O 0.16034416859463 0.26430227143705 0.57788849912783 15.999 > 19 110 O 0.66034416859463 0.26430227143705 0.57788849912783 15.999 > 19 111 O 0.16034416859463 0.59763560477039 0.57788849912783 15.999 > 19 112 O 0.66034416859463 0.59763560477039 0.57788849912783 15.999 > 19 113 O 0.16034416859463 0.93096893810372 0.57788849912783 15.999 > 19 114 O 0.66034416859463 0.93096893810372 0.57788849912783 15.999 > 19 115 O 0.16034416859463 0.23569772856295 0.07788849912783 15.999 > 20 116 O 0.66034416859463 0.23569772856295 0.07788849912783 15.999 > 20 117 O 0.16034416859463 0.56903106189628 0.07788849912783 15.999 > 20 118 O 0.66034416859463 0.56903106189628 0.07788849912783 15.999 > 20 119 O 0.16034416859463 0.90236439522961 0.07788849912783 15.999 > 20 120 O 0.66034416859463 0.90236439522961 0.07788849912783 15.999 > 20 121 O 0.33965583140537 0.06903106189628 0.42211150087217 15.999 > 21 122 O 0.83965583140537 0.06903106189628 0.42211150087217 15.999 > 21 123 O 0.33965583140537 0.40236439522961 0.42211150087217 15.999 > 21 124 O 0.83965583140537 0.40236439522961 0.42211150087217 15.999 > 21 125 O 0.33965583140537 0.73569772856295 0.42211150087217 15.999 > 21 126 O 0.83965583140537 0.73569772856295 0.42211150087217 15.999 > 21 127 O 0.33965583140537 0.09763560477039 0.92211150087217 15.999 > 22 128 O 0.83965583140537 0.09763560477039 0.92211150087217 15.999 > 22 129 O 0.33965583140537 0.43096893810372 0.92211150087217 15.999 > 22 130 O 0.83965583140537 0.43096893810372 0.92211150087217 15.999 > 22 131 O 0.33965583140537 0.76430227143705 0.92211150087217 15.999 > 22 132 O 0.83965583140537 0.76430227143705 0.92211150087217 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2666402 0.0000000 0.1587031 0.0000000 3.1546149 0.0000000 0.1587037 0.0000000 3.3958816 -------------------------- Born effective charges -------------------------- 1 Mg 2.6502154 0.1732564 0.1265428 0.0799025 1.9380105 -0.1599160 -0.3173557 0.3002315 2.5821238 2 Mg 2.6502154 -0.1732564 0.1265428 -0.0799025 1.9380105 0.1599160 -0.3173557 -0.3002315 2.5821238 3 H 0.1467399 -0.0843773 -0.0137611 0.1507864 1.6279829 -0.5650529 -0.1674412 -1.0362910 0.7306349 4 H 0.1467399 0.0843773 -0.0137611 -0.1507864 1.6279829 0.5650529 -0.1674412 1.0362910 0.7306349 5 H 0.1467399 -0.0843773 -0.0137611 0.1507864 1.6279829 -0.5650529 -0.1674412 -1.0362910 0.7306349 6 H 0.1467399 0.0843773 -0.0137611 -0.1507864 1.6279829 0.5650529 -0.1674412 1.0362910 0.7306349 7 Se 2.9226233 -0.2854058 0.4212914 -0.5795657 2.3259939 0.4637473 0.4489250 0.3984005 3.2534157 8 Se 2.9226233 0.2854058 0.4212914 0.5795657 2.3259939 -0.4637473 0.4489250 -0.3984005 3.2534157 9 Se 2.9226233 -0.2854058 0.4212914 -0.5795657 2.3259939 0.4637473 0.4489250 0.3984005 3.2534157 10 Se 2.9226233 0.2854058 0.4212914 0.5795657 2.3259939 -0.4637473 0.4489250 -0.3984005 3.2534157 11 O -1.1946246 -0.3646865 -0.2302437 -0.3000098 -1.5950222 -0.6318041 -0.3140243 -1.1765501 -2.0034640 12 O -1.1946246 0.3646865 -0.2302437 0.3000098 -1.5950222 0.6318041 -0.3140243 1.1765501 -2.0034640 13 O -1.1946246 -0.3646865 -0.2302437 -0.3000098 -1.5950222 -0.6318041 -0.3140243 -1.1765501 -2.0034640 14 O -1.1946246 0.3646865 -0.2302437 0.3000098 -1.5950222 0.6318041 -0.3140243 1.1765501 -2.0034640 15 O -1.4837453 -0.0935297 0.4237077 0.1172710 -1.5501693 0.0192333 0.6048824 0.6198895 -1.8632201 16 O -1.4837453 0.0935297 0.4237077 -0.1172710 -1.5501693 -0.0192333 0.6048824 -0.6198895 -1.8632201 17 O -1.4837453 -0.0935297 0.4237077 0.1172710 -1.5501693 0.0192333 0.6048824 0.6198895 -1.8632201 18 O -1.4837453 0.0935297 0.4237077 -0.1172710 -1.5501693 -0.0192333 0.6048824 -0.6198895 -1.8632201 19 O -1.7161010 0.5069260 -0.6642657 0.0577979 -1.7777906 0.2840686 -0.4136640 0.6921438 -1.4084284 20 O -1.7161010 -0.5069260 -0.6642657 -0.0577979 -1.7777906 -0.2840686 -0.4136640 -0.6921438 -1.4084284 21 O -1.7161010 0.5069260 -0.6642657 0.0577979 -1.7777906 0.2840686 -0.4136640 0.6921438 -1.4084284 22 O -1.7161010 -0.5069260 -0.6642657 -0.0577979 -1.7777906 -0.2840686 -0.4136640 -0.6921438 -1.4084284 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 396/396 Permutation basis: 13530/13530 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3408 Number of blocks in projector: 3408 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: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 728 / 728 (1) 219 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 728 / 728 (1) 219 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 728 / 728 (1) 221 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 408 Use standard eigh solver. Tree of FC basis block matrices: - (3408, 3355), data: False |-- (408, 402), data: True |-- (408, 402), data: True |-- (408, 402), data: True |-- (728, 717), data: False |-- (728, 7), data: (728, 18) @ (18, 7) |-- (228, 221), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (728, 716), data: False |-- (728, 9), data: (728, 21) @ (21, 9) |-- (228, 219), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (728, 716), data: False |-- (728, 9), data: (728, 21) @ (21, 9) |-- (228, 219), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.163 Solver_block: 200 / 720 - Time: 1.121 Solver_block: 300 / 720 - Time: 1.131 Solver_block: 400 / 720 - Time: 1.156 Solver_block: 500 / 720 - Time: 1.105 Solver_block: 600 / 720 - Time: 1.115 Solver_block: 700 / 720 - Time: 1.143 Solver_block: 720 / 720 - Time: 0.326 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.412 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yz) -0.00000000 (yz) Permutation basis: 396/396 Permutation basis: 13530/13530 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3408 Number of blocks in projector: 3408 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: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 728 / 728 (1) 219 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 728 / 728 (1) 219 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 728 / 728 (1) 221 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 408 Use standard eigh solver. Tree of FC basis block matrices: - (3408, 3355), data: False |-- (408, 402), data: True |-- (408, 402), data: True |-- (408, 402), data: True |-- (728, 717), data: False |-- (728, 7), data: (728, 18) @ (18, 7) |-- (228, 221), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (728, 716), data: False |-- (728, 9), data: (728, 21) @ (21, 9) |-- (228, 219), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (728, 716), data: False |-- (728, 9), data: (728, 21) @ (21, 9) |-- (228, 219), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) 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 21:58:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:58:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.557323311361178 0.000000000000000 0.000000000000000 b 0.000000000000000 5.106177449999999 0.000000000000000 c -5.532039793333429 0.000000000000000 9.127202251834584 Atomic positions (fractional): 1 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 2 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 3 H 0.30421312638706 0.97824832588775 0.53149708672463 1.008 4 H 0.30421312638706 0.52175167411225 0.03149708672463 1.008 5 H 0.69578687361294 0.02175167411225 0.46850291327537 1.008 6 H 0.69578687361294 0.47824832588775 0.96850291327537 1.008 7 Se 0.68097674694611 0.67307273275327 0.66551380599082 78.960 8 Se 0.68097674694611 0.82692726724673 0.16551380599082 78.960 9 Se 0.31902325305389 0.32692726724673 0.33448619400918 78.960 10 Se 0.31902325305389 0.17307273275327 0.83448619400918 78.960 11 O 0.85157237203841 0.91775953739565 0.78407815644794 15.999 12 O 0.85157237203841 0.58224046260435 0.28407815644794 15.999 13 O 0.14842762796159 0.08224046260435 0.21592184355206 15.999 14 O 0.14842762796159 0.41775953739565 0.71592184355206 15.999 15 O 0.73174151009909 0.74764161678582 0.52326427324278 15.999 16 O 0.73174151009909 0.75235838321418 0.02326427324278 15.999 17 O 0.26825848990091 0.25235838321418 0.47673572675722 15.999 18 O 0.26825848990091 0.24764161678582 0.97673572675722 15.999 19 O 0.32068833718926 0.79290681431116 0.57788849912783 15.999 20 O 0.32068833718926 0.70709318568884 0.07788849912783 15.999 21 O 0.67931166281074 0.20709318568884 0.42211150087217 15.999 22 O 0.67931166281074 0.29290681431116 0.92211150087217 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.114646622722356 0.000000000000000 0.000000000000000 b 0.000000000000000 15.318532349999996 0.000000000000000 c -5.532039793333429 0.000000000000000 9.127202251834584 Atomic positions (fractional): 1 Mg 0.00000000000000 0.16666666666667 0.50000000000000 24.305 > 1 2 Mg 0.50000000000000 0.16666666666667 0.50000000000000 24.305 > 1 3 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 1 4 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 1 5 Mg 0.00000000000000 0.83333333333333 0.50000000000000 24.305 > 1 6 Mg 0.50000000000000 0.83333333333333 0.50000000000000 24.305 > 1 7 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 7 8 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 7 9 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 7 10 Mg 0.50000000000000 0.33333333333333 0.00000000000000 24.305 > 7 11 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 7 12 Mg 0.50000000000000 0.66666666666667 0.00000000000000 24.305 > 7 13 H 0.15210656319353 0.32608277529592 0.53149708672463 1.008 > 13 14 H 0.65210656319353 0.32608277529592 0.53149708672463 1.008 > 13 15 H 0.15210656319353 0.65941610862925 0.53149708672463 1.008 > 13 16 H 0.65210656319353 0.65941610862925 0.53149708672463 1.008 > 13 17 H 0.15210656319353 0.99274944196258 0.53149708672463 1.008 > 13 18 H 0.65210656319353 0.99274944196258 0.53149708672463 1.008 > 13 19 H 0.15210656319353 0.17391722470408 0.03149708672463 1.008 > 19 20 H 0.65210656319353 0.17391722470408 0.03149708672463 1.008 > 19 21 H 0.15210656319353 0.50725055803742 0.03149708672463 1.008 > 19 22 H 0.65210656319353 0.50725055803742 0.03149708672463 1.008 > 19 23 H 0.15210656319353 0.84058389137075 0.03149708672463 1.008 > 19 24 H 0.65210656319353 0.84058389137075 0.03149708672463 1.008 > 19 25 H 0.34789343680647 0.00725055803742 0.46850291327537 1.008 > 25 26 H 0.84789343680647 0.00725055803742 0.46850291327537 1.008 > 25 27 H 0.34789343680647 0.34058389137075 0.46850291327537 1.008 > 25 28 H 0.84789343680647 0.34058389137075 0.46850291327537 1.008 > 25 29 H 0.34789343680647 0.67391722470408 0.46850291327537 1.008 > 25 30 H 0.84789343680647 0.67391722470408 0.46850291327537 1.008 > 25 31 H 0.34789343680647 0.15941610862925 0.96850291327537 1.008 > 31 32 H 0.84789343680647 0.15941610862925 0.96850291327537 1.008 > 31 33 H 0.34789343680647 0.49274944196258 0.96850291327537 1.008 > 31 34 H 0.84789343680647 0.49274944196258 0.96850291327537 1.008 > 31 35 H 0.34789343680647 0.82608277529592 0.96850291327537 1.008 > 31 36 H 0.84789343680647 0.82608277529592 0.96850291327537 1.008 > 31 37 Se 0.34048837347305 0.22435757758442 0.66551380599082 78.960 > 37 38 Se 0.84048837347305 0.22435757758442 0.66551380599082 78.960 > 37 39 Se 0.34048837347305 0.55769091091776 0.66551380599082 78.960 > 37 40 Se 0.84048837347305 0.55769091091776 0.66551380599082 78.960 > 37 41 Se 0.34048837347305 0.89102424425109 0.66551380599082 78.960 > 37 42 Se 0.84048837347305 0.89102424425109 0.66551380599082 78.960 > 37 43 Se 0.34048837347305 0.27564242241558 0.16551380599082 78.960 > 43 44 Se 0.84048837347305 0.27564242241558 0.16551380599082 78.960 > 43 45 Se 0.34048837347305 0.60897575574891 0.16551380599082 78.960 > 43 46 Se 0.84048837347305 0.60897575574891 0.16551380599082 78.960 > 43 47 Se 0.34048837347305 0.94230908908224 0.16551380599082 78.960 > 43 48 Se 0.84048837347305 0.94230908908224 0.16551380599082 78.960 > 43 49 Se 0.15951162652695 0.10897575574891 0.33448619400918 78.960 > 49 50 Se 0.65951162652695 0.10897575574891 0.33448619400918 78.960 > 49 51 Se 0.15951162652695 0.44230908908224 0.33448619400918 78.960 > 49 52 Se 0.65951162652695 0.44230908908224 0.33448619400918 78.960 > 49 53 Se 0.15951162652695 0.77564242241558 0.33448619400918 78.960 > 49 54 Se 0.65951162652695 0.77564242241558 0.33448619400918 78.960 > 49 55 Se 0.15951162652695 0.05769091091776 0.83448619400918 78.960 > 55 56 Se 0.65951162652695 0.05769091091776 0.83448619400918 78.960 > 55 57 Se 0.15951162652695 0.39102424425109 0.83448619400918 78.960 > 55 58 Se 0.65951162652695 0.39102424425109 0.83448619400918 78.960 > 55 59 Se 0.15951162652695 0.72435757758442 0.83448619400918 78.960 > 55 60 Se 0.65951162652695 0.72435757758442 0.83448619400918 78.960 > 55 61 O 0.42578618601921 0.30591984579855 0.78407815644794 15.999 > 61 62 O 0.92578618601921 0.30591984579855 0.78407815644794 15.999 > 61 63 O 0.42578618601921 0.63925317913188 0.78407815644794 15.999 > 61 64 O 0.92578618601921 0.63925317913188 0.78407815644794 15.999 > 61 65 O 0.42578618601921 0.97258651246522 0.78407815644794 15.999 > 61 66 O 0.92578618601921 0.97258651246522 0.78407815644794 15.999 > 61 67 O 0.42578618601921 0.19408015420145 0.28407815644794 15.999 > 67 68 O 0.92578618601921 0.19408015420145 0.28407815644794 15.999 > 67 69 O 0.42578618601921 0.52741348753478 0.28407815644794 15.999 > 67 70 O 0.92578618601921 0.52741348753478 0.28407815644794 15.999 > 67 71 O 0.42578618601921 0.86074682086812 0.28407815644794 15.999 > 67 72 O 0.92578618601921 0.86074682086812 0.28407815644794 15.999 > 67 73 O 0.07421381398079 0.02741348753478 0.21592184355206 15.999 > 73 74 O 0.57421381398079 0.02741348753478 0.21592184355206 15.999 > 73 75 O 0.07421381398079 0.36074682086812 0.21592184355206 15.999 > 73 76 O 0.57421381398079 0.36074682086812 0.21592184355206 15.999 > 73 77 O 0.07421381398079 0.69408015420145 0.21592184355206 15.999 > 73 78 O 0.57421381398079 0.69408015420145 0.21592184355206 15.999 > 73 79 O 0.07421381398079 0.13925317913188 0.71592184355206 15.999 > 79 80 O 0.57421381398079 0.13925317913188 0.71592184355206 15.999 > 79 81 O 0.07421381398079 0.47258651246522 0.71592184355206 15.999 > 79 82 O 0.57421381398079 0.47258651246522 0.71592184355206 15.999 > 79 83 O 0.07421381398079 0.80591984579855 0.71592184355206 15.999 > 79 84 O 0.57421381398079 0.80591984579855 0.71592184355206 15.999 > 79 85 O 0.36587075504954 0.24921387226194 0.52326427324278 15.999 > 85 86 O 0.86587075504954 0.24921387226194 0.52326427324278 15.999 > 85 87 O 0.36587075504954 0.58254720559527 0.52326427324278 15.999 > 85 88 O 0.86587075504954 0.58254720559527 0.52326427324278 15.999 > 85 89 O 0.36587075504954 0.91588053892861 0.52326427324278 15.999 > 85 90 O 0.86587075504954 0.91588053892861 0.52326427324278 15.999 > 85 91 O 0.36587075504954 0.25078612773806 0.02326427324278 15.999 > 91 92 O 0.86587075504954 0.25078612773806 0.02326427324278 15.999 > 91 93 O 0.36587075504954 0.58411946107139 0.02326427324278 15.999 > 91 94 O 0.86587075504954 0.58411946107139 0.02326427324278 15.999 > 91 95 O 0.36587075504954 0.91745279440473 0.02326427324278 15.999 > 91 96 O 0.86587075504954 0.91745279440473 0.02326427324278 15.999 > 91 97 O 0.13412924495046 0.08411946107139 0.47673572675722 15.999 > 97 98 O 0.63412924495046 0.08411946107139 0.47673572675722 15.999 > 97 99 O 0.13412924495046 0.41745279440473 0.47673572675722 15.999 > 97 100 O 0.63412924495046 0.41745279440473 0.47673572675722 15.999 > 97 101 O 0.13412924495046 0.75078612773806 0.47673572675722 15.999 > 97 102 O 0.63412924495046 0.75078612773806 0.47673572675722 15.999 > 97 103 O 0.13412924495046 0.08254720559527 0.97673572675722 15.999 > 103 104 O 0.63412924495046 0.08254720559527 0.97673572675722 15.999 > 103 105 O 0.13412924495046 0.41588053892861 0.97673572675722 15.999 > 103 106 O 0.63412924495046 0.41588053892861 0.97673572675722 15.999 > 103 107 O 0.13412924495046 0.74921387226194 0.97673572675722 15.999 > 103 108 O 0.63412924495046 0.74921387226194 0.97673572675722 15.999 > 103 109 O 0.16034416859463 0.26430227143705 0.57788849912783 15.999 > 109 110 O 0.66034416859463 0.26430227143705 0.57788849912783 15.999 > 109 111 O 0.16034416859463 0.59763560477039 0.57788849912783 15.999 > 109 112 O 0.66034416859463 0.59763560477039 0.57788849912783 15.999 > 109 113 O 0.16034416859463 0.93096893810372 0.57788849912783 15.999 > 109 114 O 0.66034416859463 0.93096893810372 0.57788849912783 15.999 > 109 115 O 0.16034416859463 0.23569772856295 0.07788849912783 15.999 > 115 116 O 0.66034416859463 0.23569772856295 0.07788849912783 15.999 > 115 117 O 0.16034416859463 0.56903106189628 0.07788849912783 15.999 > 115 118 O 0.66034416859463 0.56903106189628 0.07788849912783 15.999 > 115 119 O 0.16034416859463 0.90236439522961 0.07788849912783 15.999 > 115 120 O 0.66034416859463 0.90236439522961 0.07788849912783 15.999 > 115 121 O 0.33965583140537 0.06903106189628 0.42211150087217 15.999 > 121 122 O 0.83965583140537 0.06903106189628 0.42211150087217 15.999 > 121 123 O 0.33965583140537 0.40236439522961 0.42211150087217 15.999 > 121 124 O 0.83965583140537 0.40236439522961 0.42211150087217 15.999 > 121 125 O 0.33965583140537 0.73569772856295 0.42211150087217 15.999 > 121 126 O 0.83965583140537 0.73569772856295 0.42211150087217 15.999 > 121 127 O 0.33965583140537 0.09763560477039 0.92211150087217 15.999 > 127 128 O 0.83965583140537 0.09763560477039 0.92211150087217 15.999 > 127 129 O 0.33965583140537 0.43096893810372 0.92211150087217 15.999 > 127 130 O 0.83965583140537 0.43096893810372 0.92211150087217 15.999 > 127 131 O 0.33965583140537 0.76430227143705 0.92211150087217 15.999 > 127 132 O 0.83965583140537 0.76430227143705 0.92211150087217 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2666402 0.0000000 0.1587031 0.0000000 3.1546149 0.0000000 0.1587037 0.0000000 3.3958816 -------------------------- Born effective charges -------------------------- 1 Mg 2.6502154 0.1732564 0.1265428 0.0799025 1.9380105 -0.1599160 -0.3173557 0.3002315 2.5821238 2 Mg 2.6502154 -0.1732564 0.1265428 -0.0799025 1.9380105 0.1599160 -0.3173557 -0.3002315 2.5821238 3 H 0.1467399 -0.0843773 -0.0137611 0.1507864 1.6279829 -0.5650529 -0.1674412 -1.0362910 0.7306349 4 H 0.1467399 0.0843773 -0.0137611 -0.1507864 1.6279829 0.5650529 -0.1674412 1.0362910 0.7306349 5 H 0.1467399 -0.0843773 -0.0137611 0.1507864 1.6279829 -0.5650529 -0.1674412 -1.0362910 0.7306349 6 H 0.1467399 0.0843773 -0.0137611 -0.1507864 1.6279829 0.5650529 -0.1674412 1.0362910 0.7306349 7 Se 2.9226233 -0.2854058 0.4212914 -0.5795657 2.3259939 0.4637473 0.4489250 0.3984005 3.2534157 8 Se 2.9226233 0.2854058 0.4212914 0.5795657 2.3259939 -0.4637473 0.4489250 -0.3984005 3.2534157 9 Se 2.9226233 -0.2854058 0.4212914 -0.5795657 2.3259939 0.4637473 0.4489250 0.3984005 3.2534157 10 Se 2.9226233 0.2854058 0.4212914 0.5795657 2.3259939 -0.4637473 0.4489250 -0.3984005 3.2534157 11 O -1.1946246 -0.3646865 -0.2302437 -0.3000098 -1.5950222 -0.6318041 -0.3140243 -1.1765501 -2.0034640 12 O -1.1946246 0.3646865 -0.2302437 0.3000098 -1.5950222 0.6318041 -0.3140243 1.1765501 -2.0034640 13 O -1.1946246 -0.3646865 -0.2302437 -0.3000098 -1.5950222 -0.6318041 -0.3140243 -1.1765501 -2.0034640 14 O -1.1946246 0.3646865 -0.2302437 0.3000098 -1.5950222 0.6318041 -0.3140243 1.1765501 -2.0034640 15 O -1.4837453 -0.0935297 0.4237077 0.1172710 -1.5501693 0.0192333 0.6048824 0.6198895 -1.8632201 16 O -1.4837453 0.0935297 0.4237077 -0.1172710 -1.5501693 -0.0192333 0.6048824 -0.6198895 -1.8632201 17 O -1.4837453 -0.0935297 0.4237077 0.1172710 -1.5501693 0.0192333 0.6048824 0.6198895 -1.8632201 18 O -1.4837453 0.0935297 0.4237077 -0.1172710 -1.5501693 -0.0192333 0.6048824 -0.6198895 -1.8632201 19 O -1.7161010 0.5069260 -0.6642657 0.0577979 -1.7777906 0.2840686 -0.4136640 0.6921438 -1.4084284 20 O -1.7161010 -0.5069260 -0.6642657 -0.0577979 -1.7777906 -0.2840686 -0.4136640 -0.6921438 -1.4084284 21 O -1.7161010 0.5069260 -0.6642657 0.0577979 -1.7777906 0.2840686 -0.4136640 0.6921438 -1.4084284 22 O -1.7161010 -0.5069260 -0.6642657 -0.0577979 -1.7777906 -0.2840686 -0.4136640 -0.6921438 -1.4084284 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:59:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:59:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.557323311361178 0.000000000000000 0.000000000000000 b 0.000000000000000 5.106177449999999 0.000000000000000 c -5.532039793333429 0.000000000000000 9.127202251834584 Atomic positions (fractional): 1 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 2 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 3 H 0.30421312638706 0.97824832588775 0.53149708672463 1.008 4 H 0.30421312638706 0.52175167411225 0.03149708672463 1.008 5 H 0.69578687361294 0.02175167411225 0.46850291327537 1.008 6 H 0.69578687361294 0.47824832588775 0.96850291327537 1.008 7 Se 0.68097674694611 0.67307273275327 0.66551380599082 78.960 8 Se 0.68097674694611 0.82692726724673 0.16551380599082 78.960 9 Se 0.31902325305389 0.32692726724673 0.33448619400918 78.960 10 Se 0.31902325305389 0.17307273275327 0.83448619400918 78.960 11 O 0.85157237203841 0.91775953739565 0.78407815644794 15.999 12 O 0.85157237203841 0.58224046260435 0.28407815644794 15.999 13 O 0.14842762796159 0.08224046260435 0.21592184355206 15.999 14 O 0.14842762796159 0.41775953739565 0.71592184355206 15.999 15 O 0.73174151009909 0.74764161678582 0.52326427324278 15.999 16 O 0.73174151009909 0.75235838321418 0.02326427324278 15.999 17 O 0.26825848990091 0.25235838321418 0.47673572675722 15.999 18 O 0.26825848990091 0.24764161678582 0.97673572675722 15.999 19 O 0.32068833718926 0.79290681431116 0.57788849912783 15.999 20 O 0.32068833718926 0.70709318568884 0.07788849912783 15.999 21 O 0.67931166281074 0.20709318568884 0.42211150087217 15.999 22 O 0.67931166281074 0.29290681431116 0.92211150087217 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.114646622722356 0.000000000000000 0.000000000000000 b 0.000000000000000 15.318532349999996 0.000000000000000 c -5.532039793333429 0.000000000000000 9.127202251834584 Atomic positions (fractional): 1 Mg 0.00000000000000 0.16666666666667 0.50000000000000 24.305 > 1 2 Mg 0.50000000000000 0.16666666666667 0.50000000000000 24.305 > 1 3 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 1 4 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 1 5 Mg 0.00000000000000 0.83333333333333 0.50000000000000 24.305 > 1 6 Mg 0.50000000000000 0.83333333333333 0.50000000000000 24.305 > 1 7 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 7 8 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 7 9 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 7 10 Mg 0.50000000000000 0.33333333333333 0.00000000000000 24.305 > 7 11 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 7 12 Mg 0.50000000000000 0.66666666666667 0.00000000000000 24.305 > 7 13 H 0.15210656319353 0.32608277529592 0.53149708672463 1.008 > 13 14 H 0.65210656319353 0.32608277529592 0.53149708672463 1.008 > 13 15 H 0.15210656319353 0.65941610862925 0.53149708672463 1.008 > 13 16 H 0.65210656319353 0.65941610862925 0.53149708672463 1.008 > 13 17 H 0.15210656319353 0.99274944196258 0.53149708672463 1.008 > 13 18 H 0.65210656319353 0.99274944196258 0.53149708672463 1.008 > 13 19 H 0.15210656319353 0.17391722470408 0.03149708672463 1.008 > 19 20 H 0.65210656319353 0.17391722470408 0.03149708672463 1.008 > 19 21 H 0.15210656319353 0.50725055803742 0.03149708672463 1.008 > 19 22 H 0.65210656319353 0.50725055803742 0.03149708672463 1.008 > 19 23 H 0.15210656319353 0.84058389137075 0.03149708672463 1.008 > 19 24 H 0.65210656319353 0.84058389137075 0.03149708672463 1.008 > 19 25 H 0.34789343680647 0.00725055803742 0.46850291327537 1.008 > 25 26 H 0.84789343680647 0.00725055803742 0.46850291327537 1.008 > 25 27 H 0.34789343680647 0.34058389137075 0.46850291327537 1.008 > 25 28 H 0.84789343680647 0.34058389137075 0.46850291327537 1.008 > 25 29 H 0.34789343680647 0.67391722470408 0.46850291327537 1.008 > 25 30 H 0.84789343680647 0.67391722470408 0.46850291327537 1.008 > 25 31 H 0.34789343680647 0.15941610862925 0.96850291327537 1.008 > 31 32 H 0.84789343680647 0.15941610862925 0.96850291327537 1.008 > 31 33 H 0.34789343680647 0.49274944196258 0.96850291327537 1.008 > 31 34 H 0.84789343680647 0.49274944196258 0.96850291327537 1.008 > 31 35 H 0.34789343680647 0.82608277529592 0.96850291327537 1.008 > 31 36 H 0.84789343680647 0.82608277529592 0.96850291327537 1.008 > 31 37 Se 0.34048837347305 0.22435757758442 0.66551380599082 78.960 > 37 38 Se 0.84048837347305 0.22435757758442 0.66551380599082 78.960 > 37 39 Se 0.34048837347305 0.55769091091776 0.66551380599082 78.960 > 37 40 Se 0.84048837347305 0.55769091091776 0.66551380599082 78.960 > 37 41 Se 0.34048837347305 0.89102424425109 0.66551380599082 78.960 > 37 42 Se 0.84048837347305 0.89102424425109 0.66551380599082 78.960 > 37 43 Se 0.34048837347305 0.27564242241558 0.16551380599082 78.960 > 43 44 Se 0.84048837347305 0.27564242241558 0.16551380599082 78.960 > 43 45 Se 0.34048837347305 0.60897575574891 0.16551380599082 78.960 > 43 46 Se 0.84048837347305 0.60897575574891 0.16551380599082 78.960 > 43 47 Se 0.34048837347305 0.94230908908224 0.16551380599082 78.960 > 43 48 Se 0.84048837347305 0.94230908908224 0.16551380599082 78.960 > 43 49 Se 0.15951162652695 0.10897575574891 0.33448619400918 78.960 > 49 50 Se 0.65951162652695 0.10897575574891 0.33448619400918 78.960 > 49 51 Se 0.15951162652695 0.44230908908224 0.33448619400918 78.960 > 49 52 Se 0.65951162652695 0.44230908908224 0.33448619400918 78.960 > 49 53 Se 0.15951162652695 0.77564242241558 0.33448619400918 78.960 > 49 54 Se 0.65951162652695 0.77564242241558 0.33448619400918 78.960 > 49 55 Se 0.15951162652695 0.05769091091776 0.83448619400918 78.960 > 55 56 Se 0.65951162652695 0.05769091091776 0.83448619400918 78.960 > 55 57 Se 0.15951162652695 0.39102424425109 0.83448619400918 78.960 > 55 58 Se 0.65951162652695 0.39102424425109 0.83448619400918 78.960 > 55 59 Se 0.15951162652695 0.72435757758442 0.83448619400918 78.960 > 55 60 Se 0.65951162652695 0.72435757758442 0.83448619400918 78.960 > 55 61 O 0.42578618601921 0.30591984579855 0.78407815644794 15.999 > 61 62 O 0.92578618601921 0.30591984579855 0.78407815644794 15.999 > 61 63 O 0.42578618601921 0.63925317913188 0.78407815644794 15.999 > 61 64 O 0.92578618601921 0.63925317913188 0.78407815644794 15.999 > 61 65 O 0.42578618601921 0.97258651246522 0.78407815644794 15.999 > 61 66 O 0.92578618601921 0.97258651246522 0.78407815644794 15.999 > 61 67 O 0.42578618601921 0.19408015420145 0.28407815644794 15.999 > 67 68 O 0.92578618601921 0.19408015420145 0.28407815644794 15.999 > 67 69 O 0.42578618601921 0.52741348753478 0.28407815644794 15.999 > 67 70 O 0.92578618601921 0.52741348753478 0.28407815644794 15.999 > 67 71 O 0.42578618601921 0.86074682086812 0.28407815644794 15.999 > 67 72 O 0.92578618601921 0.86074682086812 0.28407815644794 15.999 > 67 73 O 0.07421381398079 0.02741348753478 0.21592184355206 15.999 > 73 74 O 0.57421381398079 0.02741348753478 0.21592184355206 15.999 > 73 75 O 0.07421381398079 0.36074682086812 0.21592184355206 15.999 > 73 76 O 0.57421381398079 0.36074682086812 0.21592184355206 15.999 > 73 77 O 0.07421381398079 0.69408015420145 0.21592184355206 15.999 > 73 78 O 0.57421381398079 0.69408015420145 0.21592184355206 15.999 > 73 79 O 0.07421381398079 0.13925317913188 0.71592184355206 15.999 > 79 80 O 0.57421381398079 0.13925317913188 0.71592184355206 15.999 > 79 81 O 0.07421381398079 0.47258651246522 0.71592184355206 15.999 > 79 82 O 0.57421381398079 0.47258651246522 0.71592184355206 15.999 > 79 83 O 0.07421381398079 0.80591984579855 0.71592184355206 15.999 > 79 84 O 0.57421381398079 0.80591984579855 0.71592184355206 15.999 > 79 85 O 0.36587075504954 0.24921387226194 0.52326427324278 15.999 > 85 86 O 0.86587075504954 0.24921387226194 0.52326427324278 15.999 > 85 87 O 0.36587075504954 0.58254720559527 0.52326427324278 15.999 > 85 88 O 0.86587075504954 0.58254720559527 0.52326427324278 15.999 > 85 89 O 0.36587075504954 0.91588053892861 0.52326427324278 15.999 > 85 90 O 0.86587075504954 0.91588053892861 0.52326427324278 15.999 > 85 91 O 0.36587075504954 0.25078612773806 0.02326427324278 15.999 > 91 92 O 0.86587075504954 0.25078612773806 0.02326427324278 15.999 > 91 93 O 0.36587075504954 0.58411946107139 0.02326427324278 15.999 > 91 94 O 0.86587075504954 0.58411946107139 0.02326427324278 15.999 > 91 95 O 0.36587075504954 0.91745279440473 0.02326427324278 15.999 > 91 96 O 0.86587075504954 0.91745279440473 0.02326427324278 15.999 > 91 97 O 0.13412924495046 0.08411946107139 0.47673572675722 15.999 > 97 98 O 0.63412924495046 0.08411946107139 0.47673572675722 15.999 > 97 99 O 0.13412924495046 0.41745279440473 0.47673572675722 15.999 > 97 100 O 0.63412924495046 0.41745279440473 0.47673572675722 15.999 > 97 101 O 0.13412924495046 0.75078612773806 0.47673572675722 15.999 > 97 102 O 0.63412924495046 0.75078612773806 0.47673572675722 15.999 > 97 103 O 0.13412924495046 0.08254720559527 0.97673572675722 15.999 > 103 104 O 0.63412924495046 0.08254720559527 0.97673572675722 15.999 > 103 105 O 0.13412924495046 0.41588053892861 0.97673572675722 15.999 > 103 106 O 0.63412924495046 0.41588053892861 0.97673572675722 15.999 > 103 107 O 0.13412924495046 0.74921387226194 0.97673572675722 15.999 > 103 108 O 0.63412924495046 0.74921387226194 0.97673572675722 15.999 > 103 109 O 0.16034416859463 0.26430227143705 0.57788849912783 15.999 > 109 110 O 0.66034416859463 0.26430227143705 0.57788849912783 15.999 > 109 111 O 0.16034416859463 0.59763560477039 0.57788849912783 15.999 > 109 112 O 0.66034416859463 0.59763560477039 0.57788849912783 15.999 > 109 113 O 0.16034416859463 0.93096893810372 0.57788849912783 15.999 > 109 114 O 0.66034416859463 0.93096893810372 0.57788849912783 15.999 > 109 115 O 0.16034416859463 0.23569772856295 0.07788849912783 15.999 > 115 116 O 0.66034416859463 0.23569772856295 0.07788849912783 15.999 > 115 117 O 0.16034416859463 0.56903106189628 0.07788849912783 15.999 > 115 118 O 0.66034416859463 0.56903106189628 0.07788849912783 15.999 > 115 119 O 0.16034416859463 0.90236439522961 0.07788849912783 15.999 > 115 120 O 0.66034416859463 0.90236439522961 0.07788849912783 15.999 > 115 121 O 0.33965583140537 0.06903106189628 0.42211150087217 15.999 > 121 122 O 0.83965583140537 0.06903106189628 0.42211150087217 15.999 > 121 123 O 0.33965583140537 0.40236439522961 0.42211150087217 15.999 > 121 124 O 0.83965583140537 0.40236439522961 0.42211150087217 15.999 > 121 125 O 0.33965583140537 0.73569772856295 0.42211150087217 15.999 > 121 126 O 0.83965583140537 0.73569772856295 0.42211150087217 15.999 > 121 127 O 0.33965583140537 0.09763560477039 0.92211150087217 15.999 > 127 128 O 0.83965583140537 0.09763560477039 0.92211150087217 15.999 > 127 129 O 0.33965583140537 0.43096893810372 0.92211150087217 15.999 > 127 130 O 0.83965583140537 0.43096893810372 0.92211150087217 15.999 > 127 131 O 0.33965583140537 0.76430227143705 0.92211150087217 15.999 > 127 132 O 0.83965583140537 0.76430227143705 0.92211150087217 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2666402 0.0000000 0.1587031 0.0000000 3.1546149 0.0000000 0.1587037 0.0000000 3.3958816 -------------------------- Born effective charges -------------------------- 1 Mg 2.6502154 0.1732564 0.1265428 0.0799025 1.9380105 -0.1599160 -0.3173557 0.3002315 2.5821238 2 Mg 2.6502154 -0.1732564 0.1265428 -0.0799025 1.9380105 0.1599160 -0.3173557 -0.3002315 2.5821238 3 H 0.1467399 -0.0843773 -0.0137611 0.1507864 1.6279829 -0.5650529 -0.1674412 -1.0362910 0.7306349 4 H 0.1467399 0.0843773 -0.0137611 -0.1507864 1.6279829 0.5650529 -0.1674412 1.0362910 0.7306349 5 H 0.1467399 -0.0843773 -0.0137611 0.1507864 1.6279829 -0.5650529 -0.1674412 -1.0362910 0.7306349 6 H 0.1467399 0.0843773 -0.0137611 -0.1507864 1.6279829 0.5650529 -0.1674412 1.0362910 0.7306349 7 Se 2.9226233 -0.2854058 0.4212914 -0.5795657 2.3259939 0.4637473 0.4489250 0.3984005 3.2534157 8 Se 2.9226233 0.2854058 0.4212914 0.5795657 2.3259939 -0.4637473 0.4489250 -0.3984005 3.2534157 9 Se 2.9226233 -0.2854058 0.4212914 -0.5795657 2.3259939 0.4637473 0.4489250 0.3984005 3.2534157 10 Se 2.9226233 0.2854058 0.4212914 0.5795657 2.3259939 -0.4637473 0.4489250 -0.3984005 3.2534157 11 O -1.1946246 -0.3646865 -0.2302437 -0.3000098 -1.5950222 -0.6318041 -0.3140243 -1.1765501 -2.0034640 12 O -1.1946246 0.3646865 -0.2302437 0.3000098 -1.5950222 0.6318041 -0.3140243 1.1765501 -2.0034640 13 O -1.1946246 -0.3646865 -0.2302437 -0.3000098 -1.5950222 -0.6318041 -0.3140243 -1.1765501 -2.0034640 14 O -1.1946246 0.3646865 -0.2302437 0.3000098 -1.5950222 0.6318041 -0.3140243 1.1765501 -2.0034640 15 O -1.4837453 -0.0935297 0.4237077 0.1172710 -1.5501693 0.0192333 0.6048824 0.6198895 -1.8632201 16 O -1.4837453 0.0935297 0.4237077 -0.1172710 -1.5501693 -0.0192333 0.6048824 -0.6198895 -1.8632201 17 O -1.4837453 -0.0935297 0.4237077 0.1172710 -1.5501693 0.0192333 0.6048824 0.6198895 -1.8632201 18 O -1.4837453 0.0935297 0.4237077 -0.1172710 -1.5501693 -0.0192333 0.6048824 -0.6198895 -1.8632201 19 O -1.7161010 0.5069260 -0.6642657 0.0577979 -1.7777906 0.2840686 -0.4136640 0.6921438 -1.4084284 20 O -1.7161010 -0.5069260 -0.6642657 -0.0577979 -1.7777906 -0.2840686 -0.4136640 -0.6921438 -1.4084284 21 O -1.7161010 0.5069260 -0.6642657 0.0577979 -1.7777906 0.2840686 -0.4136640 0.6921438 -1.4084284 22 O -1.7161010 -0.5069260 -0.6642657 -0.0577979 -1.7777906 -0.2840686 -0.4136640 -0.6921438 -1.4084284 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- 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 ... [ 11 10 5 ] 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: 0.65, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/168) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 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 2.328 ( 0.000 0.000 0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.500 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.633 ( 0.000 0.000 0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 0.000) 0.000 9.565 ( 0.000 0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 10.335 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 12.275 ( 0.000 0.000 0.000) 0.000 12.372 ( 0.000 0.000 0.000) 0.000 12.891 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 13.841 ( 0.000 0.000 0.000) 0.000 13.996 ( 0.000 0.000 0.000) 0.000 14.621 ( 0.000 0.000 0.000) 0.000 14.755 ( 0.000 0.000 0.000) 0.000 17.458 ( 0.000 0.000 0.000) 0.000 17.608 ( 0.000 0.000 0.000) 0.000 18.020 ( 0.000 0.000 0.000) 0.000 18.270 ( 0.000 0.000 0.000) 0.000 21.100 ( 0.000 0.000 0.000) 0.000 21.229 ( 0.000 0.000 0.000) 0.000 22.039 ( 0.000 0.000 0.000) 0.000 22.618 ( 0.000 0.000 0.000) 0.000 24.813 ( 0.000 0.000 0.000) 0.000 24.832 ( 0.000 0.000 0.000) 0.000 25.561 ( 0.000 0.000 0.000) 0.000 26.526 ( 0.000 0.000 0.000) 0.000 28.995 ( 0.000 0.000 0.000) 0.000 29.082 ( 0.000 0.000 0.000) 0.000 29.526 ( 0.000 0.000 0.000) 0.000 29.719 ( 0.000 0.000 0.000) 0.000 37.641 ( 0.000 0.000 0.000) 0.000 37.664 ( 0.000 0.000 0.000) 0.000 38.998 ( 0.000 0.000 0.000) 0.000 39.058 ( 0.000 0.000 0.000) 0.000 69.457 ( 0.000 0.000 0.000) 0.000 69.584 ( 0.000 0.000 0.000) 0.000 71.607 ( 0.000 0.000 0.000) 0.000 73.579 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/168) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 15.161 0.000 13.804) 20.503 0.551 ( 17.912 0.000 24.269) 30.163 0.941 ( 40.041 0.000 28.289) 49.026 2.387 ( 2.352 0.000 7.498) 7.859 2.428 ( 2.688 0.000 1.207) 2.947 2.654 ( 13.873 0.000 -4.370) 14.545 2.782 ( -7.770 0.000 -8.276) 11.352 3.056 ( 7.967 0.000 1.893) 8.189 3.383 ( -7.396 0.000 -11.876) 13.990 3.630 ( -7.222 0.000 -3.872) 8.194 3.720 ( 2.216 0.000 2.029) 3.005 4.185 ( -5.356 0.000 -12.391) 13.499 4.226 ( 12.086 0.000 17.465) 21.240 4.556 ( 0.572 0.000 1.364) 1.479 4.933 ( 1.382 0.000 -1.387) 1.958 4.979 ( -6.151 0.000 -1.808) 6.411 5.072 ( -1.026 0.000 9.281) 9.338 5.379 ( 5.461 0.000 -4.617) 7.151 6.632 ( -3.285 0.000 -6.857) 7.603 6.704 ( 2.145 0.000 1.642) 2.701 7.329 ( 3.485 0.000 0.226) 3.492 7.402 ( -18.278 0.000 -2.177) 18.407 7.907 ( -13.337 0.000 -8.528) 15.830 8.053 ( 12.782 0.000 -2.977) 13.124 8.351 ( 3.951 0.000 -3.047) 4.989 8.488 ( 6.823 0.000 5.393) 8.697 8.679 ( 2.829 0.000 3.886) 4.807 9.499 ( -5.746 0.000 -1.507) 5.940 9.690 ( -11.760 0.000 5.014) 12.784 10.104 ( 5.234 0.000 -13.373) 14.361 10.491 ( 0.441 0.000 20.439) 20.444 10.568 ( 22.900 0.000 1.037) 22.923 10.995 ( 1.347 0.000 -3.330) 3.592 11.372 ( 1.617 0.000 -4.884) 5.145 12.263 ( -0.537 0.000 -1.301) 1.407 12.425 ( 6.595 0.000 -7.607) 10.068 13.222 ( -6.244 0.000 -2.336) 6.667 13.783 ( 2.400 0.000 -12.447) 12.676 13.845 ( 3.801 0.000 -6.139) 7.221 14.024 ( -0.002 0.000 4.601) 4.601 14.614 ( -0.504 0.000 0.218) 0.550 15.021 ( -12.798 0.000 12.245) 17.712 17.509 ( 4.629 0.000 2.340) 5.187 17.644 ( 5.481 0.000 -1.994) 5.833 18.229 ( -2.802 0.000 -3.437) 4.435 19.551 ( 28.705 0.000 -52.414) 59.759 21.054 ( -11.082 0.000 10.471) 15.246 21.370 ( -25.673 0.000 48.589) 54.954 21.963 ( -4.283 0.000 -6.711) 7.961 22.687 ( 0.347 0.000 11.879) 11.884 24.838 ( 2.951 0.000 0.158) 2.956 24.848 ( 2.257 0.000 -0.661) 2.351 26.237 ( -23.720 0.000 36.963) 43.919 26.461 ( -6.663 0.000 -1.958) 6.944 29.011 ( 1.738 0.000 0.275) 1.760 29.087 ( 1.132 0.000 -0.814) 1.394 29.558 ( -7.776 0.000 11.883) 14.201 29.717 ( -1.858 0.000 2.417) 3.049 37.673 ( 4.019 0.000 -0.059) 4.020 37.876 ( 3.916 0.000 -1.775) 4.300 38.979 ( -2.340 0.000 0.085) 2.342 39.037 ( -2.534 0.000 -0.062) 2.535 69.474 ( 1.737 0.000 0.651) 1.856 69.589 ( 0.678 0.000 0.015) 0.678 72.273 ( -54.876 0.000 86.470) 102.413 73.471 ( -13.013 0.000 -0.204) 13.014 ======================= Grid point 2 (3/168) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 16.250 0.000 12.586) 20.554 1.045 ( 15.650 0.000 18.762) 24.433 1.859 ( 38.003 0.000 26.923) 46.574 2.512 ( 5.765 0.000 1.101) 5.869 2.531 ( -6.892 0.000 15.172) 16.664 2.563 ( 6.980 0.000 -17.613) 18.946 2.833 ( 13.032 0.000 -10.019) 16.438 3.121 ( -8.738 0.000 -11.196) 14.202 3.261 ( 11.096 0.000 6.176) 12.699 3.528 ( -4.638 0.000 1.898) 5.011 3.752 ( 4.331 0.000 -6.944) 8.184 3.960 ( -9.411 0.000 -6.379) 11.369 4.500 ( -2.371 0.000 -7.788) 8.141 4.559 ( 6.238 0.000 12.607) 14.066 4.845 ( -3.960 0.000 -2.353) 4.607 4.942 ( 3.010 0.000 -4.552) 5.457 5.200 ( 0.870 0.000 15.915) 15.939 5.427 ( 6.858 0.000 -6.398) 9.379 6.476 ( -4.795 0.000 -9.478) 10.622 6.736 ( -3.917 0.000 2.433) 4.611 7.101 ( -12.553 0.000 -2.090) 12.726 7.442 ( 9.159 0.000 -0.150) 9.160 7.589 ( -16.302 0.000 -4.414) 16.889 8.149 ( 3.059 0.000 -3.421) 4.590 8.414 ( 4.957 0.000 -0.799) 5.021 8.597 ( 2.982 0.000 1.447) 3.314 8.754 ( 0.910 0.000 1.412) 1.679 9.356 ( -11.049 0.000 1.568) 11.159 9.624 ( -5.173 0.000 11.928) 13.001 10.109 ( 9.545 0.000 -10.013) 13.834 10.714 ( 5.256 0.000 13.050) 14.069 10.994 ( 4.965 0.000 -5.720) 7.574 11.008 ( 27.419 0.000 2.349) 27.520 11.334 ( 2.514 0.000 -9.861) 10.176 12.234 ( -1.160 0.000 -1.684) 2.045 12.475 ( 5.726 0.000 -2.509) 6.251 13.047 ( -10.363 0.000 -4.765) 11.406 13.665 ( -4.091 0.000 -8.121) 9.093 13.840 ( 0.459 0.000 -2.165) 2.213 14.049 ( -5.080 0.000 6.737) 8.437 14.636 ( 3.171 0.000 1.186) 3.386 14.901 ( -9.878 0.000 1.698) 10.023 17.643 ( 7.627 0.000 3.561) 8.418 17.737 ( 9.116 0.000 -4.533) 10.181 18.124 ( -4.234 0.000 -4.608) 6.258 19.482 ( 9.488 0.000 -24.068) 25.870 20.970 ( -11.382 0.000 10.219) 15.297 21.430 ( -7.679 0.000 18.034) 19.601 21.799 ( -6.268 0.000 -7.588) 9.841 22.838 ( -0.158 0.000 17.472) 17.473 24.889 ( 3.828 0.000 -1.212) 4.015 24.911 ( 5.695 0.000 0.302) 5.703 26.202 ( -14.085 0.000 18.247) 23.051 26.274 ( -12.094 0.000 -4.452) 12.887 29.055 ( 3.191 0.000 0.454) 3.223 29.106 ( 2.451 0.000 -1.154) 2.709 29.543 ( -4.566 0.000 5.518) 7.163 29.698 ( -4.278 0.000 3.493) 5.523 37.769 ( 7.672 0.000 -0.056) 7.672 37.944 ( 6.440 0.000 -1.727) 6.668 38.923 ( -4.649 0.000 0.102) 4.650 38.975 ( -4.914 0.000 -0.061) 4.914 69.523 ( 3.035 0.000 1.012) 3.199 69.609 ( 1.466 0.000 0.485) 1.544 72.217 ( -29.169 0.000 41.200) 50.480 73.154 ( -23.533 0.000 -2.630) 23.680 ======================= Grid point 3 (4/168) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 17.030 0.000 10.860) 20.198 1.409 ( 12.142 0.000 7.679) 14.366 2.384 ( 1.578 0.000 -9.988) 10.112 2.626 ( 4.961 0.000 -2.145) 5.405 2.650 ( 18.484 0.000 19.079) 26.564 2.720 ( -9.619 0.000 -6.358) 11.530 2.823 ( 23.273 0.000 13.515) 26.913 2.995 ( 4.621 0.000 -13.913) 14.661 3.400 ( -5.819 0.000 6.602) 8.801 3.595 ( -11.614 0.000 -9.733) 15.153 3.608 ( 11.391 0.000 7.662) 13.729 3.914 ( 6.243 0.000 0.680) 6.280 4.382 ( 0.506 0.000 -10.490) 10.502 4.484 ( -11.848 0.000 -6.881) 13.701 4.931 ( 2.672 0.000 -7.430) 7.895 4.991 ( 10.535 0.000 9.142) 13.949 5.399 ( 3.658 0.000 16.341) 16.745 5.474 ( 6.935 0.000 -6.959) 9.825 6.314 ( -4.064 0.000 -7.721) 8.725 6.529 ( -20.065 0.000 0.577) 20.073 7.040 ( 3.410 0.000 -0.548) 3.454 7.227 ( -15.876 0.000 -9.136) 18.317 7.679 ( 11.082 0.000 7.309) 13.275 8.125 ( -1.725 0.000 -2.018) 2.654 8.449 ( 1.149 0.000 -2.946) 3.162 8.613 ( -4.888 0.000 3.547) 6.039 8.739 ( 2.377 0.000 -6.439) 6.863 9.189 ( -10.261 0.000 0.833) 10.295 9.754 ( 2.370 0.000 17.020) 17.184 10.203 ( 9.038 0.000 -2.799) 9.461 10.850 ( 1.553 0.000 1.781) 2.363 11.112 ( 13.672 0.000 0.038) 13.672 11.252 ( 1.876 0.000 -14.239) 14.363 11.476 ( 25.801 0.000 2.583) 25.930 12.198 ( -1.294 0.000 -1.097) 1.697 12.564 ( 6.828 0.000 -0.323) 6.836 12.808 ( -11.229 0.000 -6.577) 13.014 13.498 ( -6.599 0.000 -7.481) 9.976 13.809 ( -3.182 0.000 0.014) 3.182 13.976 ( -11.004 0.000 5.948) 12.509 14.744 ( 6.929 0.000 2.685) 7.432 14.748 ( -7.999 0.000 -2.175) 8.290 17.788 ( 3.496 0.000 -10.412) 10.983 17.812 ( 8.326 0.000 3.461) 9.016 18.066 ( 2.381 0.000 0.485) 2.430 19.393 ( 2.563 0.000 -13.325) 13.570 20.892 ( -8.968 0.000 8.031) 12.039 21.469 ( -3.731 0.000 8.568) 9.345 21.626 ( -6.238 0.000 -5.963) 8.630 23.018 ( -0.238 0.000 19.065) 19.066 24.943 ( 4.238 0.000 -1.555) 4.514 25.026 ( 7.783 0.000 0.362) 7.792 25.992 ( -14.702 0.000 -7.198) 16.370 26.137 ( -11.675 0.000 11.093) 16.105 29.120 ( 4.085 0.000 0.467) 4.112 29.146 ( 3.861 0.000 -0.974) 3.982 29.518 ( -3.835 0.000 3.170) 4.976 29.640 ( -6.638 0.000 2.843) 7.221 37.919 ( 10.465 0.000 0.114) 10.466 38.049 ( 8.372 0.000 -1.739) 8.551 38.829 ( -6.870 0.000 0.001) 6.870 38.878 ( -6.879 0.000 0.049) 6.879 69.588 ( 3.486 0.000 0.970) 3.618 69.649 ( 2.283 0.000 1.476) 2.719 72.143 ( -19.385 0.000 24.309) 31.092 72.677 ( -27.729 0.000 -6.774) 28.545 ======================= Grid point 4 (5/168) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 14.188 0.000 7.623) 16.106 1.593 ( 9.929 0.000 -5.812) 11.504 2.358 ( -15.468 0.000 -9.091) 17.941 2.375 ( 8.763 0.000 -9.179) 12.690 2.809 ( 6.100 0.000 5.328) 8.099 2.887 ( -2.508 0.000 -8.066) 8.447 2.939 ( 4.069 0.000 16.239) 16.741 3.317 ( -4.176 0.000 3.082) 5.190 3.327 ( -9.786 0.000 -6.596) 11.801 3.475 ( 24.100 0.000 14.497) 28.124 3.887 ( 9.710 0.000 9.297) 13.443 4.041 ( 7.120 0.000 -0.260) 7.125 4.184 ( -12.158 0.000 -11.184) 16.520 4.333 ( 4.640 0.000 -7.631) 8.931 4.880 ( 0.467 0.000 -7.791) 7.805 5.227 ( 8.411 0.000 5.536) 10.070 5.519 ( 6.411 0.000 -5.560) 8.486 5.630 ( 5.720 0.000 13.678) 14.826 6.194 ( -3.087 0.000 -4.830) 5.732 6.198 ( -19.698 0.000 0.768) 19.713 6.893 ( -13.565 0.000 -8.054) 15.776 7.096 ( 3.570 0.000 -1.715) 3.960 7.928 ( 9.612 0.000 6.362) 11.527 8.073 ( -3.129 0.000 0.300) 3.143 8.405 ( -1.255 0.000 -4.389) 4.565 8.529 ( -7.509 0.000 3.378) 8.233 8.729 ( 3.752 0.000 -6.937) 7.887 9.048 ( -7.259 0.000 0.167) 7.261 9.996 ( 5.098 0.000 17.521) 18.248 10.324 ( 5.545 0.000 1.889) 5.858 10.857 ( 1.291 0.000 -3.173) 3.426 11.113 ( 0.155 0.000 -16.499) 16.500 11.367 ( 13.948 0.000 2.412) 14.155 11.874 ( 18.849 0.000 2.397) 19.001 12.178 ( -0.091 0.000 -0.276) 0.291 12.573 ( -8.869 0.000 -6.573) 11.039 12.688 ( 7.555 0.000 0.988) 7.619 13.316 ( -6.591 0.000 -6.574) 9.309 13.733 ( -6.472 0.000 0.889) 6.533 13.836 ( -11.347 0.000 4.308) 12.138 14.615 ( -4.747 0.000 -2.879) 5.552 14.883 ( 5.954 0.000 2.585) 6.491 17.681 ( -2.008 0.000 -9.296) 9.510 17.967 ( 6.571 0.000 2.411) 6.999 18.176 ( 6.875 0.000 1.731) 7.090 19.311 ( -0.074 0.000 -6.887) 6.887 20.838 ( -5.654 0.000 5.232) 7.703 21.480 ( -2.321 0.000 3.896) 4.535 21.489 ( -4.443 0.000 -3.553) 5.689 23.197 ( 0.171 0.000 16.133) 16.134 24.992 ( 3.438 0.000 -1.512) 3.756 25.163 ( 8.041 0.000 0.235) 8.044 25.681 ( -12.744 0.000 -8.037) 15.066 26.046 ( -9.709 0.000 6.336) 11.594 29.193 ( 4.057 0.000 0.300) 4.068 29.213 ( 5.208 0.000 -0.522) 5.234 29.482 ( -3.428 0.000 1.772) 3.859 29.541 ( -7.785 0.000 1.367) 7.904 38.106 ( 11.760 0.000 0.396) 11.766 38.177 ( 8.873 0.000 -1.476) 8.995 38.699 ( -8.794 0.000 -0.213) 8.796 38.757 ( -7.780 0.000 0.248) 7.783 69.649 ( 2.813 0.000 0.636) 2.884 69.710 ( 2.607 0.000 2.251) 3.444 72.073 ( -11.840 0.000 13.554) 17.997 72.172 ( -22.601 0.000 -8.555) 24.166 ======================= Grid point 5 (6/168) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 6.804 0.000 -6.335) 9.297 1.739 ( 5.526 0.000 2.650) 6.129 2.055 ( -10.460 0.000 -4.433) 11.360 2.447 ( 6.193 0.000 -4.067) 7.409 2.820 ( -2.216 0.000 2.381) 3.253 2.933 ( 2.455 0.000 4.026) 4.715 3.102 ( -2.970 0.000 10.850) 11.249 3.153 ( -2.982 0.000 -6.446) 7.103 3.310 ( 3.949 0.000 1.313) 4.161 3.769 ( -4.041 0.000 -2.623) 4.818 3.996 ( 8.494 0.000 -1.956) 8.717 4.084 ( 0.984 0.000 5.674) 5.759 4.115 ( 2.383 0.000 -0.504) 2.436 4.361 ( 3.353 0.000 -2.206) 4.014 4.812 ( -0.770 0.000 -3.677) 3.757 5.355 ( 3.259 0.000 0.764) 3.348 5.577 ( 4.578 0.000 -1.900) 4.957 5.820 ( 3.464 0.000 6.529) 7.391 5.945 ( -10.445 0.000 1.028) 10.495 6.122 ( -1.291 0.000 -1.866) 2.269 6.660 ( -5.927 0.000 -4.206) 7.268 7.114 ( 0.988 0.000 -1.470) 1.771 8.040 ( -1.513 0.000 0.978) 1.801 8.080 ( 3.193 0.000 2.201) 3.878 8.350 ( -0.716 0.000 -2.360) 2.466 8.474 ( -2.517 0.000 2.298) 3.409 8.717 ( 1.329 0.000 -3.401) 3.651 8.966 ( -2.684 0.000 -0.011) 2.684 10.219 ( 3.099 0.000 9.975) 10.446 10.404 ( 1.712 0.000 1.580) 2.329 10.846 ( 0.654 0.000 -1.848) 1.961 10.961 ( -0.820 0.000 -9.857) 9.891 11.561 ( 6.146 0.000 1.173) 6.257 12.104 ( 5.505 0.000 2.077) 5.884 12.195 ( 2.419 0.000 -0.530) 2.476 12.412 ( -3.836 0.000 -3.424) 5.142 12.806 ( 4.313 0.000 1.060) 4.442 13.177 ( -3.291 0.000 -3.285) 4.650 13.642 ( -4.140 0.000 0.475) 4.168 13.723 ( -5.092 0.000 1.708) 5.370 14.544 ( -1.397 0.000 -1.238) 1.866 14.970 ( 2.230 0.000 1.024) 2.453 17.586 ( -1.109 0.000 -3.530) 3.700 18.061 ( 2.538 0.000 0.855) 2.678 18.275 ( 2.995 0.000 0.708) 3.078 19.262 ( -0.324 0.000 -2.127) 2.152 20.811 ( -1.923 0.000 1.840) 2.662 21.416 ( -1.574 0.000 -1.136) 1.941 21.477 ( -0.874 0.000 1.097) 1.403 23.320 ( 0.236 0.000 6.725) 6.729 25.022 ( 1.470 0.000 -0.714) 1.634 25.270 ( 3.980 0.000 0.031) 3.980 25.463 ( -5.322 0.000 -3.828) 6.555 25.965 ( -4.431 0.000 2.137) 4.919 29.249 ( 2.097 0.000 0.068) 2.098 29.305 ( 6.262 0.000 -0.152) 6.264 29.423 ( -7.302 0.000 0.326) 7.309 29.448 ( -1.805 0.000 0.615) 1.907 38.291 ( 5.266 0.000 -0.717) 5.315 38.295 ( 9.632 0.000 0.457) 9.643 38.547 ( -8.479 0.000 -0.359) 8.486 38.647 ( -4.866 0.000 0.268) 4.873 69.686 ( 1.087 0.000 0.211) 1.107 69.764 ( 1.321 0.000 1.266) 1.830 71.837 ( -8.813 0.000 -4.127) 9.731 72.031 ( -4.050 0.000 4.419) 5.994 ======================= Grid point 11 (7/168) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.000 24.966 0.000) 24.966 0.675 ( 0.000 33.800 0.000) 33.800 0.706 ( 0.000 33.874 0.000) 33.874 2.219 ( 0.000 -7.765 0.000) 7.765 2.503 ( 0.000 -3.405 0.000) 3.405 2.592 ( 0.000 5.608 0.000) 5.608 2.913 ( 0.000 2.336 0.000) 2.336 2.942 ( 0.000 3.733 0.000) 3.733 3.563 ( 0.000 0.313 0.000) 0.313 3.708 ( 0.000 0.968 0.000) 0.968 3.872 ( 0.000 6.085 0.000) 6.085 3.942 ( 0.000 3.504 0.000) 3.504 4.343 ( 0.000 1.754 0.000) 1.754 4.582 ( 0.000 7.383 0.000) 7.383 4.904 ( 0.000 -5.649 0.000) 5.649 5.056 ( 0.000 1.500 0.000) 1.500 5.071 ( 0.000 2.925 0.000) 2.925 5.301 ( 0.000 -0.493 0.000) 0.493 6.622 ( 0.000 -5.285 0.000) 5.285 6.693 ( 0.000 -0.075 0.000) 0.075 7.477 ( 0.000 -0.438 0.000) 0.438 7.648 ( 0.000 1.386 0.000) 1.386 7.686 ( 0.000 5.477 0.000) 5.477 7.935 ( 0.000 -11.912 0.000) 11.912 8.450 ( 0.000 10.788 0.000) 10.788 8.630 ( 0.000 -0.093 0.000) 0.093 8.902 ( 0.000 1.601 0.000) 1.601 9.109 ( 0.000 -1.102 0.000) 1.102 9.524 ( 0.000 -3.458 0.000) 3.458 9.874 ( 0.000 -10.705 0.000) 10.705 10.403 ( 0.000 6.493 0.000) 6.493 10.444 ( 0.000 17.551 0.000) 17.551 11.026 ( 0.000 2.537 0.000) 2.537 11.363 ( 0.000 -1.873 0.000) 1.873 12.289 ( 0.000 -0.821 0.000) 0.821 12.368 ( 0.000 -0.520 0.000) 0.520 12.871 ( 0.000 -2.094 0.000) 2.094 13.215 ( 0.000 -8.951 0.000) 8.951 13.842 ( 0.000 0.144 0.000) 0.144 14.029 ( 0.000 3.384 0.000) 3.384 14.725 ( 0.000 -3.034 0.000) 3.034 15.878 ( 0.000 -8.038 0.000) 8.038 17.504 ( 0.000 4.238 0.000) 4.238 17.639 ( 0.000 3.048 0.000) 3.048 18.015 ( 0.000 -0.560 0.000) 0.560 18.303 ( 0.000 0.669 0.000) 0.669 21.101 ( 0.000 0.077 0.000) 0.077 21.221 ( 0.000 -0.784 0.000) 0.784 22.025 ( 0.000 -1.471 0.000) 1.471 22.532 ( 0.000 -8.812 0.000) 8.812 24.871 ( 0.000 5.539 0.000) 5.539 25.548 ( 0.000 -0.192 0.000) 0.192 25.556 ( 0.000 -0.514 0.000) 0.514 26.444 ( 0.000 -7.954 0.000) 7.954 28.995 ( 0.000 0.064 0.000) 0.064 29.077 ( 0.000 -0.533 0.000) 0.533 29.530 ( 0.000 0.465 0.000) 0.465 29.969 ( 0.000 -1.314 0.000) 1.314 37.649 ( 0.000 -0.026 0.000) 0.026 37.670 ( 0.000 0.566 0.000) 0.566 39.003 ( 0.000 0.503 0.000) 0.503 39.051 ( 0.000 -0.690 0.000) 0.690 69.507 ( 0.000 4.952 0.000) 4.952 69.624 ( 0.000 3.976 0.000) 3.976 71.821 ( 0.000 21.230 0.000) 21.230 77.876 ( 0.000 -15.297 0.000) 15.297 ======================= Grid point 12 (8/168) ======================= q-point: ( 0.09 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 14.472 26.643 -3.199) 30.489 0.815 ( 11.842 19.621 20.439) 30.708 1.148 ( 28.464 18.992 23.888) 41.731 2.287 ( 2.992 -6.121 7.999) 10.507 2.507 ( 4.557 0.126 -7.954) 9.167 2.656 ( 11.118 2.177 -1.110) 11.384 2.778 ( -5.536 3.343 -5.831) 8.708 3.065 ( 7.806 1.370 1.260) 8.025 3.473 ( -8.115 5.075 -9.685) 13.616 3.617 ( -5.315 -0.910 -3.237) 6.289 3.771 ( 0.455 4.499 1.619) 4.803 4.175 ( -0.973 -0.051 -3.001) 3.155 4.334 ( 9.077 8.758 8.392) 15.150 4.627 ( 0.231 6.053 2.342) 6.495 4.871 ( -3.892 -6.614 -0.966) 7.735 5.005 ( -1.886 4.538 -3.263) 5.899 5.099 ( 0.190 2.202 8.387) 8.673 5.348 ( 5.469 -2.308 -3.759) 7.026 6.586 ( -2.044 -4.713 -3.647) 6.300 6.738 ( 3.317 2.212 0.245) 3.994 7.351 ( -14.994 -2.806 -1.643) 15.342 7.408 ( -1.395 6.592 -5.185) 8.502 7.830 ( -8.248 -6.445 -1.721) 10.608 8.002 ( 10.613 -3.408 1.477) 11.244 8.497 ( -0.171 9.284 -5.618) 10.852 8.580 ( -0.743 8.016 -2.909) 8.560 8.696 ( 3.420 2.076 6.405) 7.552 9.394 ( 1.483 -10.275 -4.123) 11.170 9.592 ( -7.723 -7.250 18.757) 21.541 9.928 ( 7.574 -12.101 -3.979) 14.820 10.472 ( 7.819 4.259 7.140) 11.413 10.677 ( 16.987 9.526 5.633) 20.274 11.018 ( 1.225 2.409 -3.195) 4.185 11.352 ( 1.451 -1.919 -4.698) 5.278 12.257 ( -1.372 -0.808 -1.537) 2.213 12.414 ( 6.136 -0.876 -4.178) 7.475 13.105 ( -1.461 -11.826 0.357) 11.922 13.273 ( 14.082 -19.358 5.059) 24.467 13.844 ( -0.281 0.426 0.860) 1.000 14.076 ( 1.987 2.611 4.575) 5.630 14.685 ( -3.422 -0.585 -2.123) 4.069 15.331 ( -26.052 12.993 -11.621) 31.346 17.534 ( 4.162 2.657 2.057) 5.349 17.678 ( 4.718 3.302 -1.615) 5.981 18.230 ( -2.192 -0.024 -3.207) 3.885 18.828 ( 37.918 -37.226 7.583) 53.676 21.053 ( -9.937 0.058 8.877) 13.325 21.293 ( -1.370 -3.018 12.517) 12.948 21.956 ( -4.107 -1.574 -6.585) 7.919 22.601 ( 1.008 -8.251 11.396) 14.106 24.887 ( 1.892 5.274 0.120) 5.604 25.131 ( -6.856 15.144 -11.317) 20.110 25.968 ( -2.096 -15.309 25.709) 29.995 26.390 ( -6.189 -7.445 -1.015) 9.734 29.011 ( 1.728 0.053 0.272) 1.750 29.082 ( 1.157 -0.459 -0.710) 1.433 29.539 ( -2.175 -0.228 4.518) 5.020 29.847 ( -8.642 4.827 -0.203) 9.900 37.675 ( 3.948 0.157 -0.030) 3.951 37.786 ( 7.669 -4.080 1.383) 8.796 38.985 ( -2.315 0.514 0.067) 2.372 39.031 ( -2.469 -0.629 -0.051) 2.549 69.516 ( 1.408 4.786 0.492) 5.013 69.632 ( 1.201 4.156 -0.325) 4.339 72.013 ( -3.982 10.477 33.863) 35.670 75.687 (-118.903 92.458 -44.247) 156.985 ======================= Grid point 13 (9/168) ======================= q-point: ( 0.18 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 14.733 19.363 6.688) 25.234 1.218 ( 12.924 14.840 18.189) 26.798 1.916 ( 33.886 5.517 21.852) 40.696 2.405 ( -0.140 -4.641 3.165) 5.619 2.539 ( 11.091 -1.646 -8.318) 13.961 2.690 ( 0.593 9.253 1.971) 9.479 2.828 ( 11.597 -0.514 -8.125) 14.169 3.121 ( -3.133 0.236 -6.651) 7.356 3.332 ( 1.844 5.249 2.642) 6.159 3.542 ( -1.131 2.636 1.376) 3.182 3.792 ( 3.182 3.080 -6.357) 7.747 3.982 ( -9.396 1.956 -6.749) 11.733 4.572 ( -4.205 6.940 -3.481) 8.829 4.613 ( 1.980 3.153 5.405) 6.564 4.797 ( 2.248 -2.198 1.159) 3.351 4.980 ( 2.583 3.673 -4.011) 6.021 5.230 ( 1.529 2.775 14.872) 15.206 5.398 ( 6.502 -2.406 -5.562) 8.889 6.479 ( -4.194 -0.373 -6.740) 7.947 6.785 ( -0.647 4.203 1.129) 4.400 7.064 ( -13.624 -2.249 -2.530) 14.038 7.445 ( 7.825 -0.056 -3.350) 8.512 7.595 ( -15.729 0.038 -0.152) 15.730 8.116 ( 3.471 -2.573 -2.146) 4.824 8.440 ( 1.479 2.488 -4.052) 4.980 8.624 ( 2.421 2.405 0.722) 3.488 8.788 ( 0.409 3.217 2.451) 4.065 9.315 ( -7.705 -3.276 1.027) 8.436 9.615 ( -4.855 -2.386 13.593) 14.630 10.020 ( 10.352 -7.974 -6.357) 14.531 10.694 ( 7.233 -0.350 9.194) 11.703 11.003 ( 6.808 2.464 -2.083) 7.534 11.071 ( 20.732 4.467 0.903) 21.227 11.316 ( 2.434 -1.742 -9.168) 9.644 12.222 ( -1.252 -1.099 -1.232) 2.072 12.480 ( 5.815 0.258 -2.036) 6.167 12.960 ( -9.747 -8.601 -4.425) 13.731 13.450 ( 3.993 -15.614 -2.110) 16.254 13.848 ( -0.106 1.288 0.324) 1.332 14.128 ( -3.679 4.026 5.333) 7.628 14.606 ( -2.230 -1.209 -1.245) 2.826 14.978 ( -11.965 4.467 -1.741) 12.889 17.659 ( 7.328 1.735 3.059) 8.129 17.759 ( 8.183 2.145 -4.203) 9.446 18.129 ( -4.128 0.503 -4.712) 6.285 19.205 ( 14.256 -22.681 -7.900) 27.930 20.972 ( -10.701 0.345 9.462) 14.289 21.383 ( -1.387 -3.296 9.613) 10.257 21.791 ( -6.679 -1.400 -7.252) 9.958 22.760 ( 0.864 -7.659 16.391) 18.113 24.933 ( 3.621 4.536 -0.512) 5.827 25.034 ( 1.358 9.710 -2.934) 10.234 26.067 ( -7.907 -10.627 14.308) 19.498 26.225 ( -11.422 -5.793 -2.430) 13.036 29.055 ( 3.188 0.026 0.436) 3.217 29.103 ( 2.465 -0.304 -1.029) 2.689 29.538 ( -3.400 -0.258 4.370) 5.543 29.738 ( -6.374 2.707 1.671) 7.123 37.771 ( 7.707 0.224 0.036) 7.711 37.912 ( 7.871 -2.414 -0.713) 8.263 38.928 ( -4.624 0.522 0.065) 4.654 38.970 ( -4.797 -0.450 -0.035) 4.818 69.564 ( 2.903 4.501 1.538) 5.572 69.658 ( 2.271 4.754 0.050) 5.269 72.218 ( -12.422 9.878 32.748) 36.391 74.006 ( -60.596 60.887 -18.795) 87.934 ======================= Grid point 14 (10/168) ======================= q-point: ( 0.27 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 13.824 13.289 9.103) 21.227 1.555 ( 11.769 12.838 6.807) 18.699 2.369 ( 5.039 -1.478 -10.936) 12.131 2.508 ( 9.232 -9.213 6.768) 14.694 2.679 ( 7.194 2.399 -0.763) 7.622 2.791 ( 1.010 8.700 6.245) 10.757 2.934 ( 20.692 5.963 5.772) 22.294 3.025 ( 2.088 3.569 -9.313) 10.190 3.355 ( -6.447 -4.284 4.901) 9.162 3.611 ( -8.354 2.658 -6.748) 11.063 3.690 ( 8.121 6.678 3.822) 11.188 3.929 ( 5.388 1.643 1.109) 5.741 4.414 ( -6.284 1.952 -8.634) 10.856 4.509 ( -5.338 3.590 -6.947) 9.468 4.923 ( 3.512 0.508 -4.438) 5.683 5.064 ( 9.038 6.102 6.756) 12.828 5.428 ( 3.997 0.426 11.151) 11.854 5.460 ( 7.488 1.361 -0.853) 7.658 6.343 ( -4.087 2.621 -6.047) 7.755 6.604 ( -18.852 7.006 -0.047) 20.112 6.997 ( 4.190 -3.189 -1.286) 5.420 7.246 ( -15.201 1.001 -7.950) 17.183 7.665 ( 10.192 -1.617 6.371) 12.128 8.103 ( -1.786 -1.659 -1.454) 2.838 8.423 ( 0.484 -2.070 -4.071) 4.593 8.633 ( -4.490 1.806 3.084) 5.739 8.772 ( 1.056 2.934 -4.987) 5.882 9.181 ( -8.783 -0.546 0.349) 8.807 9.742 ( 1.544 -2.158 15.812) 16.033 10.138 ( 9.552 -6.507 -3.559) 12.093 10.826 ( 0.754 -1.728 3.382) 3.872 11.128 ( 12.982 1.881 -0.261) 13.120 11.250 ( 2.662 -0.133 -12.507) 12.788 11.474 ( 22.927 -0.274 2.402) 23.055 12.192 ( -1.163 -0.474 -0.584) 1.385 12.564 ( 6.298 -0.252 -1.333) 6.442 12.738 ( -10.218 -6.883 -5.634) 13.548 13.408 ( -3.460 -8.008 -4.814) 9.963 13.836 ( -1.849 2.905 -0.047) 3.444 14.040 ( -11.890 5.127 4.786) 13.805 14.603 ( 0.612 -5.979 -0.045) 6.010 14.849 ( -3.311 2.447 1.006) 4.238 17.789 ( 4.985 0.557 -7.632) 9.133 17.836 ( 6.652 1.973 0.799) 6.984 18.065 ( 1.648 -0.114 -0.054) 1.653 19.265 ( 4.639 -11.886 -7.853) 14.982 20.898 ( -8.663 0.565 7.645) 11.568 21.434 ( -1.336 -2.687 4.939) 5.779 21.618 ( -6.435 -1.288 -4.985) 8.241 22.942 ( 0.549 -7.609 17.505) 19.096 24.978 ( 3.365 3.475 -2.201) 5.314 25.085 ( 5.722 5.251 0.315) 7.773 25.949 ( -12.715 -4.102 -5.804) 14.567 26.067 ( -9.820 -6.596 9.293) 15.044 29.121 ( 4.143 0.020 0.425) 4.165 29.144 ( 3.813 -0.200 -0.869) 3.916 29.516 ( -3.695 -0.123 3.017) 4.772 29.649 ( -7.004 0.617 1.767) 7.250 37.922 ( 10.475 0.356 0.200) 10.483 38.040 ( 9.045 -0.804 -1.343) 9.179 38.835 ( -6.857 0.498 -0.039) 6.875 38.875 ( -6.763 -0.207 0.076) 6.767 69.632 ( 3.210 4.620 1.748) 5.890 69.709 ( 3.246 5.671 0.910) 6.597 72.269 ( -14.687 14.344 23.858) 31.474 73.056 ( -39.683 32.630 -13.739) 53.181 ======================= Grid point 15 (11/168) ======================= q-point: ( 0.36 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 6.772 4.850 5.530) 9.998 1.728 ( 11.701 11.615 -6.582) 17.752 2.385 ( 7.072 0.454 -9.732) 12.039 2.422 ( -7.065 4.760 -4.684) 9.722 2.795 ( 5.579 -0.221 2.630) 6.172 2.838 ( -3.723 -1.698 -4.547) 6.117 3.036 ( 4.616 7.389 11.382) 14.334 3.261 ( -6.487 -4.970 2.797) 8.637 3.329 ( -3.387 0.020 -3.288) 4.721 3.528 ( 18.179 4.434 10.035) 21.233 3.920 ( 7.902 3.321 6.158) 10.554 4.047 ( 4.983 0.578 0.530) 5.045 4.192 ( -7.531 1.401 -9.490) 12.196 4.419 ( 2.511 7.997 -5.742) 10.160 4.887 ( 0.797 0.865 -7.274) 7.368 5.279 ( 7.643 4.786 5.884) 10.767 5.506 ( 5.697 -1.037 -2.826) 6.444 5.686 ( 7.336 5.547 12.545) 15.555 6.229 ( -4.670 4.589 -3.739) 7.540 6.299 ( -16.047 8.703 -0.052) 18.255 6.892 ( -12.703 0.317 -8.362) 15.211 7.092 ( 3.099 -0.648 -1.164) 3.373 7.890 ( 8.496 -4.336 4.931) 10.737 8.059 ( -2.324 -0.839 1.038) 2.680 8.372 ( -1.062 -2.579 -4.409) 5.217 8.554 ( -7.323 2.048 3.221) 8.258 8.746 ( 2.127 1.466 -6.170) 6.689 9.055 ( -6.163 0.780 -0.436) 6.228 9.941 ( 2.879 -5.371 15.618) 16.765 10.240 ( 6.550 -8.851 -3.754) 11.633 10.841 ( -0.996 -0.458 2.472) 2.704 11.156 ( 2.408 3.563 -14.199) 14.836 11.364 ( 12.424 -0.302 2.251) 12.630 11.835 ( 17.938 -3.637 1.782) 18.389 12.174 ( -0.759 -0.374 0.050) 0.847 12.514 ( -6.204 -5.383 -6.903) 10.729 12.679 ( 5.242 -1.378 0.651) 5.459 13.283 ( -5.192 -3.273 -4.437) 7.574 13.782 ( -4.318 4.891 -0.335) 6.533 13.881 ( -12.188 4.119 4.493) 13.628 14.578 ( -2.034 -2.812 -1.328) 3.716 14.878 ( 2.890 -1.230 2.320) 3.904 17.698 ( -1.597 1.756 -9.199) 9.500 17.976 ( 6.365 0.977 2.367) 6.861 18.155 ( 6.101 -1.868 1.306) 6.513 19.241 ( 0.853 -6.925 -4.895) 8.523 20.844 ( -5.533 0.604 4.999) 7.481 21.424 ( -2.677 -2.870 -0.861) 4.018 21.510 ( -3.077 -0.380 0.198) 3.106 23.115 ( 0.629 -8.203 14.577) 16.738 25.003 ( 2.386 1.341 -2.303) 3.577 25.201 ( 7.052 3.376 0.837) 7.863 25.673 ( -11.481 -0.821 -7.178) 13.565 25.994 ( -8.305 -4.966 5.824) 11.294 29.194 ( 4.140 0.129 0.245) 4.149 29.211 ( 5.158 -0.240 -0.443) 5.183 29.480 ( -3.496 -0.174 1.762) 3.919 29.540 ( -7.715 -0.115 0.888) 7.767 38.109 ( 11.677 0.366 0.400) 11.690 38.179 ( 9.341 0.225 -1.255) 9.428 38.705 ( -8.713 0.538 -0.230) 8.733 38.756 ( -7.822 -0.111 0.254) 7.827 69.700 ( 2.883 5.078 1.544) 6.040 69.774 ( 2.948 6.127 1.386) 6.939 72.239 ( -11.284 16.637 14.037) 24.519 72.394 ( -25.911 20.751 -10.995) 34.970 ======================= Grid point 16 (12/168) ======================= q-point: ( 0.45 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.658 -3.237 -2.915) 4.405 1.863 ( 6.472 9.997 -1.144) 11.964 2.207 ( -5.769 12.497 -5.926) 14.985 2.470 ( 6.197 2.066 -3.906) 7.611 2.782 ( -2.556 -2.172 5.022) 6.039 2.905 ( 2.424 -2.280 3.647) 4.937 3.085 ( -4.780 -2.712 0.864) 5.563 3.170 ( -2.784 1.089 -4.746) 5.609 3.379 ( 6.731 7.371 10.312) 14.352 3.783 ( -4.001 1.724 -5.456) 6.982 3.952 ( 6.867 -3.677 -0.159) 7.791 4.114 ( 2.175 2.864 2.570) 4.420 4.136 ( 0.920 1.620 -0.290) 1.885 4.442 ( 2.552 7.421 -1.035) 7.915 4.832 ( -0.181 1.953 -3.435) 3.956 5.401 ( 2.944 3.666 0.907) 4.789 5.578 ( 3.816 1.226 0.146) 4.010 5.892 ( 4.413 6.949 6.272) 10.349 6.059 ( -8.146 11.362 -0.037) 13.980 6.181 ( -1.647 5.556 -1.074) 5.894 6.652 ( -6.411 -0.597 -4.745) 7.999 7.116 ( 1.185 0.143 -1.269) 1.742 7.983 ( -0.065 -5.463 1.645) 5.705 8.079 ( 1.841 -0.650 1.249) 2.317 8.322 ( -0.535 -2.011 -2.100) 2.957 8.495 ( -2.766 1.567 2.040) 3.777 8.719 ( 0.622 0.224 -3.030) 3.102 8.980 ( -2.196 1.552 -0.363) 2.714 10.117 ( 1.102 -8.836 11.424) 14.484 10.260 ( 2.603 -13.066 -6.833) 14.973 10.862 ( -0.896 1.728 4.381) 4.794 11.062 ( 1.265 7.915 -9.104) 12.129 11.532 ( 5.039 -2.937 1.147) 5.944 12.062 ( 6.356 -4.021 1.507) 7.670 12.166 ( 0.555 -2.761 -0.727) 2.909 12.395 ( -1.906 -1.457 -2.925) 3.783 12.755 ( 2.553 -5.030 0.292) 5.649 13.182 ( -2.504 0.171 -1.767) 3.070 13.715 ( -1.786 6.948 -1.191) 7.272 13.759 ( -6.353 3.487 2.916) 7.812 14.541 ( -0.791 -0.081 -0.694) 1.056 14.937 ( 1.543 -3.475 0.998) 3.931 17.608 ( -0.963 2.274 -3.499) 4.282 18.068 ( 2.510 0.828 0.860) 2.779 18.242 ( 2.685 -3.082 0.521) 4.121 19.212 ( -0.057 -5.021 -1.619) 5.276 20.817 ( -1.892 0.566 1.755) 2.642 21.371 ( -1.432 -2.934 -0.986) 3.411 21.491 ( -0.709 0.119 0.670) 0.982 23.231 ( 0.369 -8.923 5.991) 10.754 25.011 ( 0.804 -0.483 -1.173) 1.502 25.313 ( 4.907 3.508 1.006) 6.116 25.469 ( -5.941 0.623 -3.875) 7.120 25.927 ( -3.802 -3.665 1.967) 5.635 29.250 ( 2.131 0.139 0.017) 2.136 29.304 ( 6.363 -0.138 -0.041) 6.365 29.419 ( -7.166 -0.354 0.064) 7.175 29.446 ( -2.040 -0.212 0.701) 2.168 38.289 ( 7.753 0.166 -0.229) 7.758 38.308 ( 7.223 0.982 0.031) 7.289 38.555 ( -8.163 0.825 -0.375) 8.213 38.643 ( -5.124 -0.408 0.282) 5.148 69.747 ( 1.298 5.949 0.631) 6.121 69.822 ( 1.212 5.605 0.798) 5.790 72.013 ( -9.463 17.120 -4.615) 20.099 72.207 ( -4.117 17.201 4.644) 18.286 ======================= Grid point 22 (13/168) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 22.613 0.000) 22.613 1.291 ( 0.000 25.058 0.000) 25.058 1.312 ( 0.000 30.882 0.000) 30.882 2.084 ( 0.000 -5.330 0.000) 5.330 2.440 ( 0.000 -2.828 0.000) 2.828 2.689 ( 0.000 4.393 0.000) 4.393 2.945 ( 0.000 1.096 0.000) 1.096 3.021 ( 0.000 3.690 0.000) 3.690 3.514 ( 0.000 -4.828 0.000) 4.828 3.733 ( 0.000 1.241 0.000) 1.241 4.022 ( 0.000 6.079 0.000) 6.079 4.022 ( 0.000 4.038 0.000) 4.038 4.431 ( 0.000 7.971 0.000) 7.971 4.629 ( 0.000 -7.121 0.000) 7.121 4.888 ( 0.000 6.855 0.000) 6.855 5.098 ( 0.000 3.091 0.000) 3.091 5.196 ( 0.000 11.973 0.000) 11.973 5.294 ( 0.000 0.013 0.000) 0.013 6.475 ( 0.000 -9.497 0.000) 9.497 6.695 ( 0.000 0.339 0.000) 0.339 7.456 ( 0.000 -1.550 0.000) 1.550 7.670 ( 0.000 -2.713 0.000) 2.713 7.731 ( 0.000 -5.418 0.000) 5.418 7.825 ( 0.000 7.767 0.000) 7.767 8.617 ( 0.000 5.982 0.000) 5.982 8.630 ( 0.000 0.093 0.000) 0.093 8.940 ( 0.000 1.726 0.000) 1.726 9.078 ( 0.000 -1.933 0.000) 1.933 9.471 ( 0.000 -1.068 0.000) 1.068 9.697 ( 0.000 -7.310 0.000) 7.310 10.572 ( 0.000 10.570 0.000) 10.570 10.789 ( 0.000 16.119 0.000) 16.119 11.117 ( 0.000 7.883 0.000) 7.883 11.317 ( 0.000 -2.613 0.000) 2.613 12.267 ( 0.000 -1.267 0.000) 1.267 12.348 ( 0.000 -1.564 0.000) 1.564 12.805 ( 0.000 -4.708 0.000) 4.708 12.964 ( 0.000 -16.336 0.000) 16.336 13.850 ( 0.000 0.823 0.000) 0.823 14.125 ( 0.000 6.266 0.000) 6.266 14.641 ( 0.000 -5.311 0.000) 5.311 15.672 ( 0.000 -12.350 0.000) 12.350 17.601 ( 0.000 5.239 0.000) 5.239 17.722 ( 0.000 5.125 0.000) 5.125 18.002 ( 0.000 -0.601 0.000) 0.601 18.316 ( 0.000 0.498 0.000) 0.498 21.104 ( 0.000 0.291 0.000) 0.291 21.200 ( 0.000 -1.229 0.000) 1.229 21.981 ( 0.000 -2.957 0.000) 2.957 22.313 ( 0.000 -12.577 0.000) 12.577 25.006 ( 0.000 7.576 0.000) 7.576 25.540 ( 0.000 -1.113 0.000) 1.113 25.546 ( 0.000 0.099 0.000) 0.099 26.240 ( 0.000 -12.094 0.000) 12.094 28.997 ( 0.000 0.135 0.000) 0.135 29.063 ( 0.000 -0.857 0.000) 0.857 29.546 ( 0.000 1.149 0.000) 1.149 29.932 ( 0.000 -2.491 0.000) 2.491 37.650 ( 0.000 0.160 0.000) 0.160 37.683 ( 0.000 0.720 0.000) 0.720 39.015 ( 0.000 0.611 0.000) 0.611 39.035 ( 0.000 -0.916 0.000) 0.916 69.638 ( 0.000 7.954 0.000) 7.954 69.731 ( 0.000 6.656 0.000) 6.656 72.399 ( 0.000 36.538 0.000) 36.538 77.445 ( 0.000 -28.219 0.000) 28.219 ======================= Grid point 23 (14/168) ======================= q-point: ( 0.09 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 12.958 19.404 13.632) 27.023 1.278 ( 11.789 27.891 -11.564) 32.414 1.557 ( 13.023 19.955 18.552) 30.199 2.181 ( 5.515 -4.152 8.633) 11.054 2.468 ( 8.744 -2.226 -11.373) 14.518 2.690 ( 3.997 1.099 -3.053) 5.148 2.899 ( -2.333 6.489 -1.465) 7.050 3.090 ( 5.679 0.967 -0.369) 5.772 3.493 ( -2.138 -3.643 -4.193) 5.952 3.653 ( -3.419 4.824 -3.038) 6.647 3.884 ( -2.723 6.792 -0.140) 7.319 4.170 ( -1.475 -0.780 -0.463) 1.731 4.506 ( 5.530 4.697 6.635) 9.832 4.646 ( 1.528 -4.097 3.407) 5.543 4.862 ( -1.984 7.210 -1.485) 7.624 5.124 ( 1.838 5.820 -4.493) 7.579 5.182 ( -1.753 9.064 7.748) 12.053 5.322 ( 3.969 1.049 -1.875) 4.513 6.454 ( -0.616 -8.632 -1.758) 8.831 6.764 ( 5.657 0.572 1.370) 5.848 7.321 ( -11.949 -0.587 -2.390) 12.200 7.535 ( -4.485 4.405 -12.037) 13.580 7.695 ( -5.206 -5.450 5.737) 9.472 7.968 ( 6.876 -0.232 2.510) 7.323 8.588 ( 1.170 1.761 -4.755) 5.203 8.721 ( 0.090 3.542 -0.647) 3.602 8.812 ( -2.858 9.422 2.474) 10.152 9.179 ( 4.824 -9.851 2.937) 11.355 9.483 ( -6.483 -3.560 10.922) 13.191 9.743 ( 6.227 -7.360 -1.291) 9.727 10.622 ( 3.857 9.951 3.558) 11.250 10.907 ( 11.388 11.893 2.645) 16.677 11.103 ( 0.634 7.600 -3.112) 8.236 11.305 ( 1.277 -2.692 -4.470) 5.372 12.232 ( -2.254 -1.612 -1.138) 2.996 12.394 ( 4.679 -1.215 -0.029) 4.834 12.857 ( -2.298 -13.618 -0.784) 13.833 13.000 ( 8.117 -11.874 2.866) 14.666 13.860 ( 0.746 1.371 0.921) 1.813 14.147 ( 0.995 4.755 2.325) 5.385 14.633 ( -2.152 -4.016 1.686) 4.858 15.395 ( -19.285 -3.925 -11.375) 22.731 17.610 ( 2.979 4.797 1.299) 5.795 17.764 ( 3.295 5.216 -0.850) 6.227 18.212 ( 3.314 -2.634 -0.150) 4.235 18.395 ( 17.192 -10.637 8.026) 21.751 21.058 ( -8.755 0.531 7.514) 11.550 21.252 ( 4.903 -1.644 -0.277) 5.179 21.904 ( -4.249 -3.539 -6.700) 8.688 22.395 ( 2.486 -12.026 10.124) 15.915 25.016 ( 1.050 7.319 0.420) 7.406 25.335 ( -5.128 6.694 -8.699) 12.115 25.750 ( 2.048 -7.824 13.334) 15.595 26.196 ( -4.685 -11.500 -1.149) 12.470 29.013 ( 1.696 0.109 0.254) 1.718 29.070 ( 1.234 -0.752 -0.499) 1.529 29.546 ( -1.408 0.850 2.196) 2.743 29.876 ( -5.310 -0.805 -0.901) 5.445 37.680 ( 3.956 0.428 0.022) 3.979 37.746 ( 6.182 -0.715 0.722) 6.265 38.996 ( -2.317 0.549 0.024) 2.382 39.016 ( -2.233 -0.736 -0.020) 2.351 69.649 ( 1.360 8.144 0.371) 8.265 69.743 ( 1.680 6.827 -0.354) 7.040 72.480 ( -2.803 33.270 18.750) 38.292 76.514 ( -73.304 6.631 -34.362) 81.229 ======================= Grid point 24 (15/168) ======================= q-point: ( 0.18 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 12.536 24.013 -0.415) 27.091 1.526 ( 9.329 15.555 16.738) 24.681 2.047 ( 24.761 6.792 10.010) 27.557 2.339 ( 2.447 -2.338 0.742) 3.465 2.512 ( 13.285 -0.925 -8.480) 15.788 2.768 ( 9.583 -1.710 -3.793) 10.447 2.906 ( 3.425 8.559 1.301) 9.310 3.134 ( 1.336 0.855 -2.614) 3.058 3.377 ( -5.490 -0.385 -2.601) 6.088 3.671 ( 5.515 8.952 2.997) 10.933 3.859 ( 0.038 4.249 -5.046) 6.597 4.022 ( -8.235 1.786 -5.346) 9.979 4.537 ( -6.063 -8.071 1.399) 10.191 4.762 ( -2.505 9.621 -0.013) 9.942 4.859 ( 8.962 5.580 2.952) 10.962 5.088 ( 1.785 7.158 -4.113) 8.447 5.290 ( 1.760 3.136 10.221) 10.835 5.397 ( 6.979 5.218 0.446) 8.725 6.428 ( -1.068 -5.336 -1.228) 5.579 6.857 ( 4.801 2.359 -0.893) 5.423 7.068 ( -14.834 2.972 -2.865) 15.397 7.417 ( 1.755 -2.849 -8.604) 9.232 7.598 ( -11.441 0.843 5.882) 12.892 8.063 ( 3.407 -3.014 -0.587) 4.587 8.500 ( -2.185 3.358 -8.337) 9.250 8.687 ( -0.444 3.996 1.289) 4.222 8.864 ( -0.971 3.984 2.706) 4.913 9.252 ( 0.129 -3.151 0.276) 3.166 9.493 ( -3.194 -8.989 11.726) 15.117 9.861 ( 8.602 -7.371 -0.763) 11.354 10.741 ( 2.835 5.384 7.228) 9.448 11.098 ( 5.211 6.278 -5.292) 9.725 11.169 ( 16.292 6.417 2.216) 17.650 11.275 ( 2.259 -2.114 -6.734) 7.410 12.197 ( -1.530 -1.338 0.429) 2.078 12.476 ( 5.626 -0.740 -1.065) 5.774 12.728 ( -8.300 -14.596 -3.947) 17.248 13.171 ( 6.793 -12.624 1.220) 14.388 13.891 ( 1.844 3.061 0.674) 3.636 14.183 ( -1.450 2.329 3.767) 4.660 14.593 ( -4.671 -0.790 1.218) 4.891 15.011 ( -14.475 -1.265 -5.506) 15.538 17.714 ( 6.507 3.946 2.529) 8.019 17.816 ( 6.009 3.543 -3.889) 7.987 18.140 ( -3.679 0.523 -4.929) 6.173 18.782 ( 15.724 -18.595 4.957) 24.851 20.986 ( -9.334 1.098 8.031) 12.362 21.330 ( 3.593 -2.091 1.526) 4.428 21.742 ( -6.470 -3.234 -7.037) 10.092 22.559 ( 2.638 -12.298 13.430) 18.400 25.047 ( 2.145 6.566 0.079) 6.908 25.215 ( -1.646 7.908 -4.356) 9.177 25.862 ( -2.447 -9.516 10.160) 14.134 26.066 ( -8.594 -9.558 -2.692) 13.132 29.056 ( 3.157 0.038 0.378) 3.180 29.094 ( 2.536 -0.512 -0.732) 2.688 29.539 ( -2.721 0.392 3.007) 4.074 29.769 ( -6.611 0.262 -0.398) 6.628 37.779 ( 7.819 0.599 0.189) 7.844 37.875 ( 8.757 -1.304 -0.095) 8.855 38.939 ( -4.668 0.395 -0.005) 4.685 38.962 ( -4.378 -0.275 0.013) 4.387 69.693 ( 2.747 8.123 1.549) 8.713 69.781 ( 3.364 7.398 -0.132) 8.128 72.620 ( -8.345 28.826 25.450) 39.348 74.953 ( -69.079 31.327 -31.068) 81.967 ======================= Grid point 25 (16/168) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 5.431 17.684 7.039) 19.793 1.825 ( 12.370 13.367 5.108) 18.915 2.298 ( 4.236 -5.853 -10.536) 12.775 2.384 ( 11.030 -2.586 -4.908) 12.346 2.702 ( 9.187 0.625 2.880) 9.648 2.986 ( 15.766 0.911 -4.993) 16.563 3.022 ( 4.716 11.378 10.004) 15.867 3.112 ( 3.669 2.731 -0.704) 4.628 3.266 ( -6.985 -2.609 -1.046) 7.529 3.675 ( -9.226 3.328 -9.192) 13.442 3.849 ( 8.927 8.755 5.632) 13.713 3.979 ( 2.813 3.131 2.854) 5.086 4.395 ( -7.568 -3.109 -5.339) 9.770 4.679 ( -1.872 12.549 -4.775) 13.557 4.960 ( 2.296 3.028 -4.910) 6.209 5.173 ( 8.236 2.240 3.678) 9.294 5.413 ( 3.147 2.692 6.979) 8.115 5.579 ( 9.560 9.122 7.945) 15.418 6.387 ( -2.367 0.710 -1.120) 2.713 6.772 ( -15.715 9.555 -0.794) 18.409 6.952 ( 6.364 -1.148 -2.256) 6.849 7.249 ( -13.051 -0.311 -6.676) 14.663 7.612 ( 5.531 -3.565 5.139) 8.349 8.069 ( -1.001 -2.402 -1.236) 2.881 8.404 ( -0.989 1.057 -5.958) 6.131 8.676 ( -4.641 2.564 3.138) 6.161 8.831 ( -1.713 2.552 -2.838) 4.183 9.185 ( -5.410 1.361 -1.545) 5.789 9.624 ( 3.624 -10.613 10.441) 15.323 9.977 ( 6.781 -8.751 -2.623) 11.377 10.822 ( -1.650 1.927 7.045) 7.488 11.189 ( 9.994 3.925 -3.012) 11.151 11.253 ( 4.401 0.918 -7.075) 8.383 11.467 ( 17.308 -0.226 1.028) 17.340 12.185 ( -1.345 -0.251 1.312) 1.896 12.514 ( -2.034 -8.301 -7.838) 11.597 12.582 ( -0.283 -5.364 0.482) 5.393 13.224 ( 0.123 -10.237 -0.958) 10.283 13.922 ( 1.185 5.573 -0.343) 5.708 14.130 ( -10.047 3.487 3.760) 11.281 14.537 ( -1.595 -0.990 0.112) 1.881 14.837 ( -5.670 -3.401 1.738) 6.837 17.818 ( 5.036 2.395 -7.462) 9.316 17.884 ( 5.759 3.026 1.131) 6.604 18.064 ( 0.257 0.112 -1.294) 1.324 18.989 ( 7.420 -14.944 0.122) 16.686 20.917 ( -7.778 1.522 6.566) 10.292 21.392 ( 1.948 -1.488 1.261) 2.757 21.572 ( -6.337 -2.939 -5.070) 8.631 22.734 ( 2.031 -13.192 13.709) 19.133 25.068 ( 1.316 5.347 -2.439) 6.023 25.200 ( 2.568 5.814 -0.087) 6.356 25.847 ( -8.166 -5.841 -2.624) 10.378 25.909 ( -6.934 -8.724 5.140) 12.273 29.121 ( 4.236 -0.038 0.299) 4.247 29.139 ( 3.756 -0.290 -0.602) 3.815 29.515 ( -3.563 0.106 2.627) 4.428 29.655 ( -7.095 -0.104 -0.004) 7.095 37.934 ( 10.533 0.780 0.344) 10.568 38.025 ( 10.089 -0.607 -0.770) 10.137 38.844 ( -6.853 0.360 -0.047) 6.863 38.874 ( -6.418 0.129 0.057) 6.419 69.761 ( 3.202 8.081 2.082) 8.938 69.850 ( 4.460 8.141 0.587) 9.301 72.689 ( -12.243 26.939 22.364) 37.091 73.722 ( -49.021 31.131 -22.486) 62.272 ======================= Grid point 26 (17/168) ======================= q-point: ( 0.36 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -5.125 5.037 0.599) 7.211 1.994 ( 12.306 14.877 -7.751) 20.805 2.357 ( 8.786 -3.216 -1.841) 9.535 2.461 ( 6.401 -1.276 -5.507) 8.540 2.792 ( -5.321 0.182 0.263) 5.331 2.891 ( 2.779 5.275 -10.360) 11.953 3.123 ( -8.583 -6.474 2.264) 10.986 3.236 ( 5.726 9.614 7.337) 13.381 3.335 ( 2.739 1.684 2.187) 3.889 3.602 ( 9.750 2.352 6.403) 11.900 4.005 ( 2.113 3.668 -1.713) 4.566 4.081 ( 4.631 4.227 7.221) 9.563 4.225 ( -3.393 1.489 -8.412) 9.192 4.631 ( 0.598 13.091 -2.849) 13.411 4.917 ( 0.854 2.170 -6.679) 7.075 5.331 ( 6.836 -2.441 0.817) 7.304 5.555 ( 4.816 8.742 9.145) 13.537 5.835 ( 10.595 9.276 9.004) 16.714 6.339 ( -2.011 5.462 -0.855) 5.883 6.525 ( -12.680 13.981 -0.561) 18.883 6.928 ( -12.972 3.759 -8.147) 15.773 7.060 ( 4.193 -2.631 -0.070) 4.951 7.763 ( 5.715 -7.761 3.491) 10.251 8.035 ( -1.185 -2.537 -0.552) 2.854 8.340 ( -0.712 0.237 -4.149) 4.216 8.599 ( -7.359 2.457 2.780) 8.241 8.771 ( -1.295 0.854 -3.930) 4.225 9.089 ( -3.706 2.955 -2.049) 5.164 9.779 ( 2.771 -12.212 9.391) 15.653 10.019 ( 3.969 -11.191 -6.418) 13.497 10.855 ( -2.316 1.567 7.321) 7.836 11.228 ( 4.873 3.174 -9.089) 10.791 11.361 ( 7.156 0.370 2.138) 7.478 11.747 ( 16.306 -4.913 -0.447) 17.036 12.158 ( -3.885 -1.591 0.808) 4.276 12.388 ( -0.842 -6.626 -5.994) 8.974 12.623 ( 2.399 -4.215 -1.055) 4.964 13.192 ( -2.211 -5.936 -0.291) 6.341 13.909 ( -0.895 7.373 -3.457) 8.192 13.978 ( -12.172 5.515 6.046) 14.667 14.537 ( 0.485 -1.089 0.355) 1.244 14.814 ( -0.954 -5.355 2.769) 6.103 17.748 ( -0.628 3.214 -8.815) 9.403 18.007 ( 5.897 2.156 2.110) 6.624 18.115 ( 4.207 -1.862 0.531) 4.631 19.059 ( 2.536 -11.079 -1.164) 11.425 20.865 ( -5.088 1.670 4.268) 6.848 21.395 ( -1.877 0.392 -2.569) 3.206 21.469 ( -1.878 -3.659 0.270) 4.122 22.888 ( 1.508 -14.487 10.965) 18.231 25.049 ( 0.139 3.281 -3.115) 4.526 25.274 ( 4.972 3.753 1.386) 6.382 25.649 ( -8.607 -1.631 -5.155) 10.165 25.870 ( -5.297 -7.107 4.556) 9.966 29.197 ( 4.364 0.111 0.103) 4.366 29.205 ( 5.001 -0.354 -0.270) 5.021 29.477 ( -3.666 -0.122 1.734) 4.057 29.536 ( -7.433 -0.395 -0.065) 7.443 38.121 ( 11.577 0.823 0.386) 11.612 38.186 ( 10.278 0.377 -0.818) 10.317 38.717 ( -8.479 0.559 -0.148) 8.499 38.756 ( -7.948 0.176 0.150) 7.952 69.836 ( 3.232 8.356 2.196) 9.225 69.924 ( 3.443 8.520 0.588) 9.208 72.677 ( -10.902 26.362 14.513) 32.007 72.892 ( -29.926 27.670 -14.790) 43.358 ======================= Grid point 27 (18/168) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -3.238 -0.335 -2.447) 4.072 2.100 ( 5.100 13.905 -1.718) 14.910 2.359 ( -2.462 0.978 -7.940) 8.370 2.487 ( 6.230 -1.602 -5.173) 8.255 2.794 ( 0.937 0.453 11.911) 11.957 2.912 ( 0.839 6.392 0.769) 6.492 2.999 ( -5.827 -5.055 -4.155) 8.762 3.177 ( -2.219 -0.469 -5.160) 5.636 3.570 ( 8.580 10.656 15.238) 20.478 3.834 ( 1.485 0.612 -0.513) 1.686 3.881 ( -1.846 -0.848 -5.932) 6.270 4.141 ( 0.106 0.166 -4.606) 4.610 4.213 ( 2.328 5.976 3.967) 7.541 4.621 ( -0.032 10.314 -0.751) 10.341 4.881 ( 0.748 2.865 -2.857) 4.115 5.406 ( 2.422 -3.655 -0.399) 4.403 5.717 ( 3.800 12.961 5.333) 14.521 6.069 ( 7.198 10.474 5.483) 13.841 6.312 ( -0.621 7.953 -0.168) 7.979 6.366 ( -5.737 18.025 0.087) 18.916 6.659 ( -8.389 2.058 -5.740) 10.371 7.112 ( 1.906 -0.792 -0.859) 2.236 7.842 ( 0.822 -8.308 2.128) 8.616 8.028 ( 0.617 -5.157 -0.913) 5.274 8.304 ( -0.231 0.741 -1.414) 1.614 8.526 ( -3.248 1.694 1.227) 3.863 8.723 ( -0.727 0.088 -1.720) 1.869 9.030 ( -1.318 3.727 -1.048) 4.090 9.892 ( 0.375 -16.211 7.608) 17.911 9.993 ( 1.829 -10.188 -7.118) 12.562 10.890 ( -0.962 0.749 4.163) 4.338 11.214 ( 2.085 6.440 -4.661) 8.219 11.455 ( 2.142 -4.184 1.200) 4.851 11.958 ( 7.623 -6.334 0.184) 9.913 12.096 ( -1.611 -4.072 -1.243) 4.552 12.362 ( 0.496 -2.089 -1.272) 2.496 12.628 ( 0.002 -6.942 -0.893) 7.000 13.166 ( -0.875 -2.146 0.387) 2.349 13.830 ( -2.738 4.598 -1.841) 5.660 13.902 ( -3.630 10.237 2.901) 11.242 14.546 ( 0.249 0.574 0.143) 0.642 14.832 ( 0.225 -7.173 1.091) 7.259 17.672 ( -0.580 4.113 -3.353) 5.337 18.097 ( 2.689 2.151 0.842) 3.545 18.170 ( 1.665 -3.812 0.137) 4.162 19.071 ( 0.467 -9.137 -0.569) 9.167 20.837 ( -1.764 1.666 1.486) 2.845 21.337 ( -1.392 -0.202 -1.319) 1.929 21.468 ( -0.076 -2.285 0.541) 2.349 22.985 ( 0.629 -15.603 4.361) 16.213 25.022 ( -0.186 1.824 -1.490) 2.362 25.375 ( 5.186 2.220 1.814) 5.926 25.488 ( -5.975 1.308 -3.305) 6.952 25.833 ( -2.418 -5.570 1.532) 6.262 29.253 ( 2.243 0.135 -0.103) 2.249 29.299 ( 6.313 -0.377 0.171) 6.327 29.412 ( -6.914 -0.257 -0.395) 6.930 29.440 ( -2.260 -0.393 0.815) 2.434 38.299 ( 8.543 0.821 -0.147) 8.583 38.330 ( 6.779 1.170 0.065) 6.880 38.576 ( -7.334 1.124 -0.361) 7.428 38.633 ( -5.979 -0.466 0.278) 6.004 69.899 ( 1.768 8.885 1.279) 9.149 69.964 ( 0.980 8.238 -0.018) 8.296 72.455 ( -10.371 26.380 -5.319) 28.840 72.648 ( -4.241 25.976 4.859) 26.765 ======================= Grid point 33 (19/168) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 18.042 0.000) 18.042 1.663 ( 0.000 12.506 0.000) 12.506 1.862 ( 0.000 24.236 0.000) 24.236 2.033 ( 0.000 0.637 0.000) 0.637 2.403 ( 0.000 -0.196 0.000) 0.196 2.773 ( 0.000 4.252 0.000) 4.252 2.974 ( 0.000 2.410 0.000) 2.410 3.067 ( 0.000 0.750 0.000) 0.750 3.400 ( 0.000 -6.268 0.000) 6.268 3.739 ( 0.000 -1.249 0.000) 1.249 4.057 ( 0.000 -1.899 0.000) 1.899 4.064 ( 0.000 -0.856 0.000) 0.856 4.467 ( 0.000 -5.704 0.000) 5.704 4.589 ( 0.000 5.096 0.000) 5.096 5.004 ( 0.000 4.416 0.000) 4.416 5.200 ( 0.000 6.791 0.000) 6.791 5.313 ( 0.000 3.067 0.000) 3.067 5.573 ( 0.000 24.399 0.000) 24.399 6.264 ( 0.000 -11.530 0.000) 11.530 6.709 ( 0.000 1.011 0.000) 1.011 7.415 ( 0.000 -2.850 0.000) 2.850 7.495 ( 0.000 -10.246 0.000) 10.246 7.765 ( 0.000 3.824 0.000) 3.824 7.955 ( 0.000 4.793 0.000) 4.793 8.639 ( 0.000 0.954 0.000) 0.954 8.693 ( 0.000 2.257 0.000) 2.257 8.953 ( 0.000 -0.264 0.000) 0.264 9.037 ( 0.000 -2.186 0.000) 2.186 9.487 ( 0.000 2.076 0.000) 2.076 9.586 ( 0.000 -4.143 0.000) 4.143 10.815 ( 0.000 14.070 0.000) 14.070 11.002 ( 0.000 5.983 0.000) 5.983 11.274 ( 0.000 -1.276 0.000) 1.276 11.386 ( 0.000 18.583 0.000) 18.583 12.245 ( 0.000 -0.795 0.000) 0.795 12.304 ( 0.000 -2.999 0.000) 2.999 12.591 ( 0.000 -21.311 0.000) 21.311 12.683 ( 0.000 -7.842 0.000) 7.842 13.881 ( 0.000 2.572 0.000) 2.572 14.249 ( 0.000 4.622 0.000) 4.622 14.545 ( 0.000 -2.610 0.000) 2.610 15.412 ( 0.000 -13.906 0.000) 13.906 17.697 ( 0.000 4.389 0.000) 4.389 17.820 ( 0.000 4.043 0.000) 4.043 18.004 ( 0.000 1.491 0.000) 1.491 18.314 ( 0.000 -0.961 0.000) 0.961 21.113 ( 0.000 0.624 0.000) 0.624 21.176 ( 0.000 -1.174 0.000) 1.174 21.913 ( 0.000 -3.812 0.000) 3.812 22.073 ( 0.000 -11.198 0.000) 11.198 25.151 ( 0.000 7.092 0.000) 7.092 25.511 ( 0.000 -1.929 0.000) 1.929 25.556 ( 0.000 1.026 0.000) 1.026 26.000 ( 0.000 -11.756 0.000) 11.756 29.001 ( 0.000 0.219 0.000) 0.219 29.045 ( 0.000 -0.928 0.000) 0.928 29.578 ( 0.000 2.254 0.000) 2.254 29.873 ( 0.000 -3.506 0.000) 3.506 37.657 ( 0.000 0.524 0.000) 0.524 37.694 ( 0.000 0.366 0.000) 0.366 39.019 ( 0.000 -0.571 0.000) 0.571 39.024 ( 0.000 0.266 0.000) 0.266 69.799 ( 0.000 8.021 0.000) 8.021 69.866 ( 0.000 6.561 0.000) 6.561 73.207 ( 0.000 44.977 0.000) 44.977 76.793 ( 0.000 -37.860 0.000) 37.860 ======================= Grid point 34 (20/168) ======================= q-point: ( 0.09 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 11.914 16.476 8.827) 22.166 1.764 ( 16.345 18.357 -10.974) 26.918 1.880 ( 2.421 14.387 6.983) 16.174 2.141 ( 5.103 0.456 9.809) 11.066 2.433 ( 7.247 -1.432 -7.415) 10.467 2.727 ( -0.497 2.987 -4.574) 5.486 2.997 ( 2.513 4.087 -1.029) 4.907 3.103 ( 4.423 0.226 -1.673) 4.734 3.398 ( 1.079 -4.864 -2.905) 5.768 3.727 ( 1.500 1.479 -1.492) 2.581 4.001 ( -1.921 3.653 0.257) 4.136 4.138 ( -2.066 -2.754 4.598) 5.743 4.405 ( -5.126 -6.469 1.747) 8.437 4.674 ( 5.786 0.398 3.732) 6.897 4.987 ( -0.730 5.147 -1.085) 5.311 5.227 ( 1.918 4.042 -0.942) 4.572 5.330 ( 1.776 7.209 2.183) 7.739 5.580 ( 0.618 23.157 1.300) 23.202 6.258 ( 0.346 -10.915 -0.871) 10.955 6.767 ( 5.269 -0.280 1.442) 5.470 7.298 ( -7.418 -2.328 -3.486) 8.520 7.501 ( -3.409 -5.369 -2.650) 6.890 7.703 ( -3.304 4.014 -1.116) 5.317 7.974 ( 0.417 0.311 1.007) 1.133 8.615 ( 0.367 1.631 -3.114) 3.535 8.767 ( 3.305 1.299 1.917) 4.035 8.946 ( -2.644 3.408 1.489) 4.563 9.028 ( -0.075 -5.504 3.918) 6.757 9.459 ( -4.496 0.911 1.567) 4.848 9.628 ( 5.642 -4.468 -1.021) 7.269 10.849 ( -0.697 13.063 6.708) 14.701 11.057 ( 9.117 4.377 -4.251) 10.970 11.259 ( 1.396 -1.522 -5.006) 5.416 11.370 ( -1.695 17.845 0.582) 17.935 12.196 ( -3.554 -2.044 0.336) 4.114 12.364 ( 3.840 -1.829 2.526) 4.947 12.529 ( -4.276 -19.385 -2.776) 20.044 12.791 ( 8.682 -10.174 1.816) 13.497 13.903 ( 1.707 3.065 1.500) 3.815 14.245 ( 0.074 3.936 -0.932) 4.045 14.555 ( -1.523 -2.584 4.122) 5.098 15.249 ( -12.718 -9.896 -7.770) 17.890 17.711 ( 2.633 5.235 1.565) 6.065 17.873 ( 2.211 5.492 0.157) 5.923 18.128 ( 9.873 -4.468 3.920) 11.524 18.294 ( 0.998 -2.433 -1.462) 3.009 21.075 ( -7.094 1.203 6.228) 9.517 21.221 ( 5.394 -1.562 -2.194) 6.029 21.830 ( -4.263 -3.566 -5.932) 8.129 22.158 ( 3.324 -11.614 7.636) 14.291 25.158 ( 0.402 6.932 0.649) 6.974 25.425 ( -3.032 2.913 -4.932) 6.481 25.636 ( 1.256 -4.078 6.605) 7.863 25.969 ( -3.197 -11.144 -1.085) 11.644 29.015 ( 1.642 0.179 0.213) 1.665 29.054 ( 1.334 -0.822 -0.264) 1.589 29.573 ( -1.399 1.986 1.225) 2.721 29.838 ( -3.470 -2.841 -0.883) 4.571 37.691 ( 4.200 0.710 0.088) 4.260 37.741 ( 5.237 -0.107 0.178) 5.241 38.999 ( -2.418 -0.279 -0.003) 2.434 39.010 ( -1.845 0.094 0.001) 1.848 69.814 ( 1.617 8.183 0.384) 8.350 69.881 ( 2.062 6.721 -0.303) 7.037 73.231 ( -4.862 42.001 12.119) 43.984 76.307 ( -41.817 -23.090 -20.508) 51.985 ======================= Grid point 35 (21/168) ======================= q-point: ( 0.18 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 9.277 13.565 5.794) 17.425 1.892 ( 3.921 19.614 4.175) 20.434 2.147 ( 20.970 3.357 -1.937) 21.325 2.302 ( 3.375 -1.409 -1.352) 3.900 2.494 ( 13.625 -1.135 -7.989) 15.835 2.737 ( 7.857 -1.618 -1.871) 8.237 3.050 ( 2.488 4.940 2.122) 5.924 3.148 ( 4.058 2.430 -1.549) 4.977 3.372 ( 0.044 0.380 -4.156) 4.174 3.802 ( 7.526 3.143 1.063) 8.225 3.963 ( -4.229 5.445 -3.343) 7.663 4.045 ( -6.006 0.619 -1.719) 6.278 4.377 ( -4.626 -6.475 6.141) 10.052 4.820 ( 4.914 -4.411 6.485) 9.256 4.972 ( 1.838 6.197 -3.564) 7.381 5.210 ( 0.136 4.021 -5.208) 6.580 5.420 ( 2.312 10.293 8.126) 13.316 5.648 ( 5.596 19.520 3.437) 20.596 6.275 ( 1.256 -9.650 2.116) 9.959 6.866 ( 5.451 -1.847 -1.320) 5.904 7.145 ( -8.119 3.920 -1.880) 9.210 7.370 ( -3.245 -0.869 -6.536) 7.349 7.626 ( -8.940 1.709 3.587) 9.783 7.986 ( 1.000 -5.066 -0.777) 5.222 8.569 ( -0.846 3.783 -6.393) 7.477 8.769 ( -2.530 4.033 0.967) 4.858 8.923 ( -3.636 1.737 2.476) 4.729 9.142 ( 7.181 -9.030 4.425) 12.357 9.380 ( -5.321 -0.349 -0.157) 5.334 9.732 ( 6.715 -5.897 0.145) 8.938 10.894 ( -4.225 9.637 9.527) 14.194 11.193 ( 14.255 3.773 -8.861) 17.203 11.231 ( 3.555 -1.506 -7.798) 8.701 11.376 ( -0.210 13.089 5.423) 14.169 12.168 ( -1.872 -1.794 3.064) 4.014 12.408 ( -5.960 -17.297 -3.779) 18.681 12.454 ( 5.004 -1.298 -0.053) 5.170 12.938 ( 6.554 -11.685 0.954) 13.432 13.964 ( 3.400 4.329 2.121) 5.899 14.232 ( -0.939 2.366 -0.678) 2.634 14.565 ( -3.820 -1.673 5.807) 7.149 14.940 ( -13.666 -5.462 -6.517) 16.096 17.811 ( 5.778 5.707 3.062) 8.679 17.894 ( 3.558 4.293 -4.058) 6.896 18.145 ( -2.581 -0.194 -4.986) 5.617 18.484 ( 12.584 -12.374 6.530) 18.818 21.018 ( -7.423 2.223 6.325) 10.002 21.291 ( 4.455 -2.238 -0.315) 4.996 21.687 ( -5.433 -1.657 -6.186) 8.399 22.300 ( 3.427 -13.655 9.261) 16.851 25.176 ( 0.853 6.394 0.521) 6.471 25.337 ( -2.320 4.711 -3.497) 6.309 25.705 ( -0.681 -6.517 6.138) 8.979 25.877 ( -5.735 -9.239 -2.290) 11.113 29.057 ( 3.080 0.072 0.284) 3.094 29.084 ( 2.668 -0.566 -0.394) 2.756 29.556 ( -2.708 1.370 1.940) 3.602 29.752 ( -5.516 -1.775 -1.095) 5.897 37.794 ( 8.032 0.947 0.252) 8.092 37.858 ( 8.763 -0.547 -0.105) 8.780 38.941 ( -4.599 -0.022 0.018) 4.599 38.962 ( -3.982 0.148 -0.024) 3.985 69.859 ( 2.934 8.313 1.142) 8.889 69.929 ( 4.021 7.082 -0.145) 8.145 73.266 ( -10.009 35.539 18.408) 41.256 75.245 ( -53.557 0.702 -25.752) 59.431 ======================= Grid point 36 (22/168) ======================= q-point: ( 0.27 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -3.933 8.974 1.850) 9.972 2.043 ( 9.139 9.057 9.277) 15.863 2.224 ( 6.820 -1.624 -18.088) 19.399 2.380 ( 12.922 3.626 -8.727) 16.009 2.715 ( 12.168 0.823 2.804) 12.514 2.951 ( 15.993 -5.479 -2.319) 17.064 3.032 ( -6.137 -2.394 1.272) 6.709 3.254 ( 0.968 3.801 -0.164) 3.926 3.329 ( 5.324 10.594 0.724) 11.878 3.738 ( -8.126 3.352 -9.179) 12.709 3.998 ( 9.204 4.972 5.687) 11.907 4.019 ( -0.925 0.228 2.311) 2.500 4.339 ( -4.495 -1.040 1.378) 4.815 4.898 ( -0.001 6.209 0.283) 6.216 5.001 ( 4.837 -0.227 -4.130) 6.365 5.159 ( 1.609 0.685 -4.118) 4.474 5.568 ( 2.938 10.760 13.783) 17.730 5.823 ( 10.247 16.080 4.412) 19.571 6.336 ( 1.142 -5.932 5.316) 8.047 6.920 ( 4.412 -3.355 -1.925) 5.868 6.981 ( -8.896 12.015 -2.546) 15.165 7.267 ( -6.576 2.735 -4.958) 8.677 7.544 ( -2.402 -2.970 4.748) 6.093 7.981 ( -0.199 -6.672 -2.028) 6.977 8.478 ( -1.517 5.943 -6.735) 9.110 8.732 ( -5.153 3.063 2.940) 6.677 8.860 ( -4.707 0.348 -0.681) 4.768 9.237 ( 0.128 2.637 -3.539) 4.415 9.357 ( 3.942 -13.756 3.096) 14.641 9.821 ( 3.932 -7.220 -0.546) 8.240 10.899 ( -5.329 5.485 7.879) 10.980 11.228 ( 5.140 -0.069 -6.850) 8.564 11.324 ( 7.615 5.521 -2.058) 9.628 11.480 ( 8.574 1.975 1.124) 8.870 12.177 ( -3.730 -0.999 4.783) 6.147 12.282 ( -1.261 -12.237 -6.302) 13.822 12.521 ( 3.850 -2.310 -1.646) 4.782 13.015 ( 2.313 -11.048 0.727) 11.311 14.040 ( 3.290 6.125 1.049) 7.031 14.181 ( -6.307 2.144 1.299) 6.787 14.536 ( -3.564 0.204 1.935) 4.060 14.738 ( -7.326 -6.028 1.182) 9.561 17.878 ( 3.669 3.569 -8.126) 9.604 17.957 ( 5.127 4.302 2.442) 7.124 18.070 ( -0.073 0.601 -2.203) 2.285 18.709 ( 8.084 -13.374 3.861) 16.097 20.960 ( -6.339 2.963 4.975) 8.585 21.354 ( 2.563 -3.334 0.954) 4.312 21.542 ( -4.773 1.237 -5.401) 7.313 22.444 ( 2.830 -15.863 9.160) 18.535 25.176 ( -0.552 5.469 -2.166) 5.909 25.299 ( 0.495 4.176 -0.199) 4.210 25.732 ( -2.726 -5.873 2.456) 6.925 25.749 ( -6.110 -7.086 -0.747) 9.387 29.119 ( 4.218 -0.061 0.149) 4.221 29.134 ( 3.828 -0.299 -0.324) 3.853 29.523 ( -3.698 0.711 2.010) 4.268 29.643 ( -6.488 -1.118 -0.909) 6.646 37.952 ( 10.671 1.117 0.374) 10.736 38.016 ( 10.704 -0.349 -0.444) 10.719 38.849 ( -6.673 0.257 0.064) 6.678 38.879 ( -6.147 0.255 -0.072) 6.153 69.927 ( 3.588 8.361 1.627) 9.242 70.006 ( 4.964 7.243 0.351) 8.788 73.257 ( -13.089 29.443 17.748) 36.786 74.185 ( -44.946 15.339 -21.477) 52.122 ======================= Grid point 37 (23/168) ======================= q-point: ( 0.36 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -9.617 3.427 -4.579) 11.189 2.236 ( 12.398 3.613 -8.217) 15.306 2.310 ( 8.667 -0.023 5.301) 10.160 2.433 ( 6.339 3.950 -12.195) 14.300 2.819 ( -6.295 2.145 -3.184) 7.374 2.945 ( 5.947 -1.830 -1.508) 6.403 3.007 ( -4.612 -2.232 -1.292) 5.284 3.278 ( 2.904 -2.436 -3.296) 5.023 3.521 ( 8.753 12.111 3.858) 15.433 3.634 ( 0.548 2.132 7.955) 8.254 4.009 ( -2.247 -2.426 -0.133) 3.309 4.179 ( 5.518 1.040 0.315) 5.624 4.287 ( -0.390 7.701 0.744) 7.747 4.876 ( -1.336 9.904 -2.451) 10.290 4.966 ( 0.513 2.593 -6.956) 7.442 5.220 ( 5.504 -7.247 0.331) 9.107 5.791 ( 5.404 13.239 16.383) 21.746 6.051 ( 11.908 13.026 4.226) 18.148 6.403 ( 1.051 0.535 4.291) 4.450 6.827 ( -7.372 16.191 -1.144) 17.826 6.963 ( -3.258 -4.013 -1.428) 5.363 7.067 ( -4.493 6.712 -4.701) 9.346 7.618 ( 3.660 -6.363 3.456) 8.114 7.940 ( -1.252 -6.841 -3.320) 7.707 8.400 ( -0.897 5.565 -4.731) 7.359 8.649 ( -6.908 2.638 1.400) 7.526 8.777 ( -4.029 -0.169 -0.895) 4.131 9.177 ( -1.549 6.153 -3.326) 7.164 9.462 ( 4.966 -18.412 0.593) 19.079 9.853 ( 1.332 -6.597 -0.992) 6.803 10.891 ( -3.655 2.044 5.718) 7.087 11.242 ( 2.607 -2.243 -4.181) 5.414 11.404 ( 2.069 4.052 2.658) 5.270 11.659 ( 14.129 -3.812 -3.753) 15.108 12.096 ( -6.000 -4.509 -0.589) 7.529 12.281 ( 1.858 -4.714 -0.330) 5.077 12.544 ( 2.325 -2.517 -3.303) 4.760 13.053 ( 1.225 -8.145 1.921) 8.458 14.036 ( -4.746 5.234 -4.360) 8.303 14.099 ( -4.514 6.650 6.781) 10.516 14.528 ( 1.361 -0.267 0.033) 1.387 14.683 ( -3.740 -7.337 3.742) 9.046 17.820 ( 0.342 4.031 -7.939) 8.910 18.038 ( 4.225 -0.156 -0.566) 4.265 18.116 ( 3.400 3.188 2.075) 5.102 18.827 ( 3.562 -12.101 1.452) 12.698 20.913 ( -4.255 3.304 3.109) 6.220 21.373 ( -1.762 -5.893 -0.231) 6.155 21.452 ( -0.312 5.504 -2.308) 5.977 22.567 ( 2.019 -17.794 7.076) 19.255 25.125 ( -1.634 4.397 -3.103) 5.624 25.336 ( 2.634 2.278 1.150) 3.667 25.611 ( -5.599 -2.110 -2.772) 6.594 25.736 ( -2.483 -6.222 3.067) 7.367 29.197 ( 5.056 -0.116 0.044) 5.058 29.198 ( 4.356 -0.200 -0.254) 4.368 29.477 ( -3.995 0.136 1.571) 4.295 29.525 ( -6.846 -0.648 -0.659) 6.908 38.141 ( 11.591 1.168 0.311) 11.653 38.192 ( 11.065 0.242 -0.445) 11.077 38.726 ( -8.246 0.509 0.067) 8.262 38.761 ( -8.023 0.283 -0.075) 8.028 70.005 ( 3.602 8.348 1.860) 9.280 70.083 ( 3.686 7.175 0.189) 8.069 73.201 ( -11.367 25.397 12.236) 30.396 73.397 ( -28.934 22.429 -14.054) 39.214 ======================= Grid point 38 (24/168) ======================= q-point: ( 0.45 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.724 4.048 -2.038) 5.866 2.272 ( -0.361 -8.294 -9.017) 12.257 2.386 ( 3.728 13.674 0.384) 14.178 2.464 ( 4.726 1.128 -2.945) 5.681 2.769 ( 1.878 -2.184 3.855) 4.813 2.881 ( -7.812 -4.553 -0.003) 9.042 3.069 ( 7.453 2.618 -0.900) 7.950 3.193 ( -5.305 4.632 -3.796) 8.000 3.707 ( 8.929 -1.641 2.226) 9.347 3.774 ( 0.389 0.098 8.250) 8.260 3.949 ( -3.657 4.278 -0.015) 5.628 4.148 ( -0.290 0.809 -6.256) 6.315 4.359 ( 2.202 8.865 2.440) 9.455 4.816 ( -1.907 8.371 -1.696) 8.752 4.937 ( 1.042 2.735 -2.449) 3.816 5.292 ( 2.309 -7.561 0.258) 7.910 6.012 ( 3.682 15.401 8.533) 17.988 6.276 ( 9.110 9.999 3.592) 13.996 6.455 ( 1.169 6.711 1.945) 7.085 6.720 ( -3.984 15.221 -1.625) 15.818 6.754 ( -9.450 8.218 -3.696) 13.058 7.082 ( 2.180 -2.125 -0.838) 3.157 7.691 ( 1.481 -6.068 2.105) 6.591 7.890 ( -0.648 -7.885 -2.697) 8.359 8.359 ( -0.209 4.869 -1.604) 5.131 8.569 ( -2.992 2.770 0.166) 4.080 8.720 ( -1.907 -0.411 -0.125) 1.955 9.134 ( -0.672 7.078 -1.290) 7.226 9.520 ( 1.829 -20.165 -0.180) 20.248 9.858 ( 0.314 -5.293 -0.373) 5.315 10.893 ( -1.163 -0.109 2.386) 2.656 11.230 ( 0.118 -5.425 -1.691) 5.683 11.447 ( 0.806 4.071 1.119) 4.298 11.827 ( 7.765 -6.727 -1.654) 10.406 12.020 ( -1.572 -3.385 -1.273) 3.944 12.276 ( -2.253 -7.360 0.843) 7.743 12.551 ( 1.653 0.494 -1.624) 2.369 13.090 ( 0.848 -5.644 1.240) 5.841 13.925 ( -3.682 5.137 -0.905) 6.385 14.096 ( -1.466 8.834 1.937) 9.161 14.557 ( 1.362 0.162 -0.012) 1.372 14.669 ( -1.314 -8.798 1.543) 9.029 17.764 ( -0.090 5.107 -3.003) 5.925 18.090 ( 2.245 -3.246 -0.480) 3.975 18.171 ( 1.134 4.466 1.019) 4.719 18.869 ( 0.857 -11.059 0.298) 11.096 20.886 ( -1.498 3.397 1.056) 3.860 21.329 ( -1.359 -3.009 -0.758) 3.387 21.454 ( 0.527 3.684 -0.063) 3.722 22.641 ( 0.779 -19.041 2.734) 19.252 25.080 ( -0.809 3.873 -1.381) 4.190 25.389 ( 2.180 -0.756 0.729) 2.420 25.517 ( -2.982 1.647 -1.269) 3.635 25.724 ( -1.113 -5.179 1.023) 5.395 29.255 ( 2.464 0.093 -0.212) 2.474 29.289 ( 5.546 -0.651 0.181) 5.587 29.410 ( -6.086 0.062 -0.496) 6.106 29.432 ( -2.429 -0.362 0.778) 2.576 38.319 ( 8.942 1.203 -0.111) 9.023 38.351 ( 7.137 0.927 0.097) 7.198 38.595 ( -6.456 0.785 -0.179) 6.506 38.627 ( -7.262 -0.135 0.131) 7.265 70.071 ( 2.013 8.150 1.289) 8.494 70.120 ( 0.909 7.163 -0.399) 7.231 72.980 ( -10.051 25.593 -4.874) 27.924 73.149 ( -4.462 23.421 4.227) 24.214 ======================= Grid point 44 (25/168) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 10.783 0.000) 10.783 1.795 ( 0.000 2.372 0.000) 2.372 2.097 ( 0.000 4.509 0.000) 4.509 2.165 ( 0.000 5.061 0.000) 5.061 2.506 ( 0.000 11.645 0.000) 11.645 2.830 ( 0.000 -0.050 0.000) 0.050 3.058 ( 0.000 5.927 0.000) 5.927 3.066 ( 0.000 0.266 0.000) 0.266 3.296 ( 0.000 -3.005 0.000) 3.005 3.639 ( 0.000 -10.001 0.000) 10.001 3.979 ( 0.000 -3.067 0.000) 3.067 4.022 ( 0.000 -2.807 0.000) 2.807 4.449 ( 0.000 2.568 0.000) 2.568 4.600 ( 0.000 -2.828 0.000) 2.828 5.086 ( 0.000 4.302 0.000) 4.302 5.238 ( 0.000 -1.888 0.000) 1.888 5.504 ( 0.000 13.658 0.000) 13.658 5.973 ( 0.000 -1.712 0.000) 1.712 6.131 ( 0.000 14.649 0.000) 14.649 6.708 ( 0.000 -2.843 0.000) 2.843 7.310 ( 0.000 -7.369 0.000) 7.369 7.341 ( 0.000 -4.541 0.000) 4.541 7.851 ( 0.000 4.859 0.000) 4.859 7.996 ( 0.000 -0.609 0.000) 0.609 8.668 ( 0.000 1.913 0.000) 1.913 8.716 ( 0.000 0.206 0.000) 0.206 8.948 ( 0.000 0.162 0.000) 0.162 8.996 ( 0.000 -1.925 0.000) 1.925 9.520 ( 0.000 0.876 0.000) 0.876 9.533 ( 0.000 -1.341 0.000) 1.341 11.068 ( 0.000 7.957 0.000) 7.957 11.079 ( 0.000 2.555 0.000) 2.555 11.328 ( 0.000 10.480 0.000) 10.480 11.763 ( 0.000 18.534 0.000) 18.534 12.142 ( 0.000 -22.875 0.000) 22.875 12.228 ( 0.000 -4.971 0.000) 4.971 12.253 ( 0.000 0.703 0.000) 0.703 12.502 ( 0.000 -10.277 0.000) 10.277 13.956 ( 0.000 5.150 0.000) 5.150 14.223 ( 0.000 -6.259 0.000) 6.259 14.626 ( 0.000 9.938 0.000) 9.938 15.135 ( 0.000 -14.175 0.000) 14.175 17.772 ( 0.000 3.265 0.000) 3.265 17.853 ( 0.000 -0.375 0.000) 0.375 18.077 ( 0.000 5.457 0.000) 5.457 18.273 ( 0.000 -3.259 0.000) 3.259 21.128 ( 0.000 0.790 0.000) 0.790 21.156 ( 0.000 -0.822 0.000) 0.822 21.844 ( 0.000 -2.770 0.000) 2.770 21.896 ( 0.000 -6.553 0.000) 6.553 25.280 ( 0.000 5.975 0.000) 5.975 25.462 ( 0.000 -3.165 0.000) 3.165 25.590 ( 0.000 2.571 0.000) 2.571 25.797 ( 0.000 -8.702 0.000) 8.702 29.006 ( 0.000 0.341 0.000) 0.341 29.028 ( 0.000 -0.784 0.000) 0.784 29.635 ( 0.000 3.494 0.000) 3.494 29.796 ( 0.000 -4.209 0.000) 4.209 37.670 ( 0.000 0.801 0.000) 0.801 37.696 ( 0.000 -0.243 0.000) 0.243 39.014 ( 0.000 0.016 0.000) 0.016 39.024 ( 0.000 -0.203 0.000) 0.203 69.934 ( 0.000 5.337 0.000) 5.337 69.969 ( 0.000 3.602 0.000) 3.602 74.127 ( 0.000 48.284 0.000) 48.284 75.982 ( 0.000 -44.363 0.000) 44.363 ======================= Grid point 45 (26/168) ======================= q-point: ( 0.09 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 13.548 10.392 5.218) 17.854 1.930 ( 13.040 2.773 2.428) 13.551 2.118 ( 4.599 6.004 -3.066) 8.161 2.211 ( 2.800 4.488 4.135) 6.715 2.447 ( -0.176 5.205 -8.728) 10.163 2.752 ( -2.475 -2.857 -8.495) 9.298 3.088 ( 6.413 5.489 -2.674) 8.855 3.143 ( 5.557 6.032 1.121) 8.278 3.321 ( 3.443 -2.960 -1.145) 4.683 3.660 ( 3.672 -9.322 -1.030) 10.072 4.011 ( -0.625 -0.768 6.053) 6.133 4.070 ( -0.620 -3.069 7.516) 8.142 4.393 ( -5.423 4.022 0.095) 6.752 4.615 ( 0.866 -5.285 1.447) 5.547 5.082 ( 0.719 4.782 -1.500) 5.063 5.239 ( 1.382 -1.850 -2.094) 3.117 5.546 ( 2.325 12.707 3.881) 13.488 5.980 ( -1.470 -0.252 4.355) 4.603 6.119 ( 1.394 13.073 -3.986) 13.738 6.727 ( 1.969 -5.466 0.001) 5.809 7.244 ( -2.559 -1.623 -1.936) 3.596 7.391 ( 1.693 -5.843 0.557) 6.108 7.791 ( -4.893 4.880 -2.683) 7.413 7.958 ( -4.068 -2.279 -0.869) 4.743 8.660 ( 0.358 2.933 -1.155) 3.172 8.769 ( 3.834 -1.246 1.854) 4.437 8.948 ( -1.375 -1.080 2.250) 2.849 8.976 ( -3.661 -1.043 2.349) 4.473 9.495 ( -1.249 2.088 -2.536) 3.514 9.564 ( 4.673 -2.271 -2.246) 5.660 11.072 ( -4.125 6.182 8.090) 10.985 11.126 ( 8.029 2.377 -5.314) 9.918 11.308 ( 1.386 10.581 -5.567) 12.036 11.721 ( -6.293 16.223 2.411) 17.567 12.098 ( -3.500 -17.611 -1.275) 18.001 12.163 ( -3.895 -6.588 3.169) 8.283 12.350 ( 5.893 -0.055 0.820) 5.949 12.584 ( 8.243 -10.789 -0.517) 13.587 13.984 ( 2.032 5.263 2.109) 6.023 14.232 ( 0.786 -5.083 0.303) 5.152 14.606 ( -3.000 7.752 1.299) 8.413 15.033 ( -8.419 -11.727 -4.971) 15.268 17.809 ( 3.457 4.692 2.812) 6.471 17.942 ( 4.390 0.089 4.384) 6.204 18.088 ( 3.986 1.691 -1.860) 4.712 18.243 ( -1.017 -3.228 -3.417) 4.809 21.106 ( -4.378 1.907 4.309) 6.432 21.188 ( 3.256 -1.883 -0.812) 3.848 21.785 ( -2.687 -0.523 -3.691) 4.596 21.955 ( 2.524 -8.832 3.871) 9.968 25.283 ( 0.004 5.853 0.738) 5.899 25.446 ( -1.288 -1.196 -1.172) 2.113 25.596 ( -0.332 0.412 1.703) 1.784 25.776 ( -2.065 -8.260 -0.789) 8.550 29.020 ( 1.577 0.294 0.154) 1.612 29.039 ( 1.433 -0.699 -0.065) 1.596 29.624 ( -1.609 3.191 0.510) 3.610 29.772 ( -2.543 -3.788 -0.612) 4.603 37.707 ( 4.457 0.897 0.083) 4.547 37.736 ( 4.841 -0.393 -0.003) 4.857 38.996 ( -2.145 0.117 0.007) 2.148 39.009 ( -1.887 -0.231 -0.009) 1.901 69.951 ( 1.924 5.432 0.262) 5.769 69.987 ( 2.257 3.689 -0.164) 4.327 74.084 ( -8.594 44.312 5.667) 45.492 75.713 ( -24.844 -35.994 -10.320) 44.936 ======================= Grid point 46 (27/168) ======================= q-point: ( 0.18 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 4.532 12.317 2.760) 13.411 2.119 ( 1.653 3.486 0.184) 3.863 2.189 ( 10.904 -0.369 -6.895) 12.906 2.330 ( 9.143 4.107 0.209) 10.025 2.478 ( 15.947 0.309 -3.871) 16.413 2.657 ( 4.858 -6.358 -8.278) 11.513 3.130 ( 1.598 5.990 -4.478) 7.648 3.284 ( 5.809 8.922 5.031) 11.775 3.370 ( 6.253 -0.624 -3.705) 7.295 3.757 ( 8.975 -8.260 -0.031) 12.198 4.027 ( -5.580 1.497 0.704) 5.820 4.054 ( -4.539 0.286 0.658) 4.596 4.356 ( -3.094 4.504 8.322) 9.956 4.676 ( 2.701 -8.964 6.062) 11.154 5.084 ( 2.366 5.365 -3.706) 6.937 5.236 ( 1.853 -1.097 -4.751) 5.216 5.638 ( 1.578 11.025 7.939) 13.677 6.027 ( -1.488 1.558 10.904) 11.114 6.122 ( 5.503 9.986 -5.354) 12.596 6.758 ( 2.371 -9.653 -1.122) 10.003 7.227 ( 2.000 5.180 -0.090) 5.553 7.381 ( -2.036 0.514 -1.774) 2.749 7.663 ( -8.753 2.467 -0.546) 9.110 7.868 ( -3.838 -6.620 -2.061) 7.925 8.651 ( 0.371 4.680 -2.742) 5.437 8.826 ( 0.313 0.774 0.184) 0.855 8.928 ( -6.054 -1.375 3.879) 7.321 8.968 ( 2.057 -6.210 2.420) 6.975 9.437 ( -0.564 4.704 -5.550) 7.297 9.628 ( 5.328 -4.901 -2.210) 7.569 11.075 ( -6.013 7.135 7.581) 12.022 11.194 ( 4.345 -1.582 -4.137) 6.205 11.310 ( 9.878 8.983 -8.971) 16.086 11.619 ( -10.302 8.546 5.475) 14.461 12.068 ( 2.340 -10.803 -2.496) 11.332 12.143 ( -4.640 -5.016 6.513) 9.440 12.444 ( 5.550 0.869 -1.114) 5.727 12.707 ( 6.948 -11.600 -0.856) 13.549 14.058 ( 3.345 5.228 3.487) 7.119 14.243 ( 0.487 -1.974 -0.816) 2.191 14.567 ( -4.811 2.825 4.203) 6.985 14.812 ( -10.794 -7.280 -5.204) 14.021 17.929 ( 5.776 6.030 4.567) 9.517 17.979 ( 1.356 4.125 -3.991) 5.898 18.131 ( -0.383 -1.113 -4.566) 4.716 18.279 ( 8.658 -8.806 4.034) 12.991 21.074 ( -4.813 3.472 4.324) 7.343 21.233 ( 2.009 -3.764 0.651) 4.316 21.702 ( -2.522 3.565 -3.847) 5.820 22.041 ( 2.719 -12.459 4.606) 13.559 25.292 ( -0.073 5.354 0.678) 5.397 25.400 ( -2.152 1.435 -1.872) 3.193 25.611 ( -0.673 -2.696 2.806) 3.949 25.718 ( -3.534 -6.827 -1.398) 7.814 29.059 ( 2.989 0.182 0.182) 3.000 29.073 ( 2.810 -0.498 -0.117) 2.856 29.593 ( -3.049 2.412 0.911) 3.993 29.706 ( -4.467 -2.823 -0.868) 5.355 37.814 ( 8.291 1.057 0.184) 8.360 37.848 ( 8.641 -0.573 -0.107) 8.661 38.944 ( -4.276 0.340 0.031) 4.289 38.962 ( -3.926 -0.258 -0.039) 3.934 70.000 ( 3.389 5.601 0.613) 6.575 70.039 ( 4.155 3.784 -0.083) 5.620 73.964 ( -14.900 34.707 9.169) 38.867 75.060 ( -36.597 -17.921 -14.518) 43.258 ======================= Grid point 47 (28/168) ======================= q-point: ( 0.27 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -2.439 1.492 -10.271) 10.662 2.151 ( 7.259 -5.467 -16.828) 19.125 2.242 ( 0.803 10.035 9.985) 14.179 2.485 ( 7.466 2.170 0.760) 7.812 2.737 ( 14.391 1.597 0.281) 14.483 2.836 ( 18.418 -4.155 -1.520) 18.942 3.047 ( -5.026 4.036 -6.959) 9.486 3.258 ( -3.074 -2.290 -8.135) 8.993 3.561 ( 9.789 11.458 8.528) 17.316 3.815 ( -4.933 4.536 -8.549) 10.863 3.946 ( 0.545 -6.557 4.855) 8.177 4.023 ( 2.848 -2.635 -0.935) 3.991 4.410 ( -1.039 7.929 8.270) 11.504 4.812 ( 4.657 -9.912 7.297) 13.160 5.068 ( 2.010 4.877 -7.127) 8.867 5.188 ( -0.323 0.042 -7.538) 7.545 5.780 ( 2.894 10.383 14.883) 18.377 6.148 ( -0.543 1.610 15.816) 15.907 6.212 ( 11.292 8.111 -4.076) 14.489 6.791 ( 3.967 -9.805 -1.986) 10.762 7.241 ( -3.498 13.424 -0.965) 13.906 7.349 ( 1.109 5.415 -1.435) 5.710 7.499 ( -9.744 -1.687 2.564) 10.215 7.814 ( -0.231 -10.289 -2.768) 10.657 8.609 ( -0.519 7.114 -5.324) 8.901 8.788 ( -4.455 2.203 0.178) 4.973 8.852 ( -6.544 -0.842 2.157) 6.941 9.045 ( 4.535 -12.841 0.071) 13.618 9.378 ( 0.231 7.344 -5.391) 9.113 9.683 ( 3.826 -7.157 -1.762) 8.305 11.017 ( -7.567 6.138 4.410) 10.695 11.204 ( 1.649 -2.471 -3.859) 4.870 11.421 ( 9.961 4.392 -5.235) 12.080 11.532 ( -3.851 1.767 3.713) 5.634 12.077 ( -0.389 -5.258 -1.925) 5.613 12.155 ( -1.623 -3.249 6.574) 7.511 12.507 ( 5.008 1.713 -3.131) 6.150 12.795 ( 4.844 -11.141 -0.051) 12.148 14.147 ( 2.613 4.588 3.723) 6.460 14.218 ( -2.816 1.333 -1.157) 3.323 14.534 ( -4.102 -0.207 3.682) 5.517 14.625 ( -7.540 -5.091 -0.480) 9.111 17.948 ( 1.902 3.336 -7.309) 8.257 18.021 ( 1.182 0.854 -2.229) 2.664 18.118 ( 4.338 5.539 1.985) 7.310 18.468 ( 7.417 -11.229 4.623) 14.229 21.035 ( -4.455 4.595 3.198) 7.155 21.257 ( -0.207 -5.968 0.890) 6.038 21.637 ( -0.997 8.120 -2.873) 8.671 22.131 ( 2.517 -15.691 4.747) 16.585 25.277 ( -1.723 4.674 -1.742) 5.278 25.358 ( -0.903 1.662 -0.390) 1.931 25.623 ( -1.661 -4.210 2.364) 5.106 25.645 ( -3.071 -4.055 -0.864) 5.159 29.119 ( 4.133 0.066 0.047) 4.133 29.128 ( 3.964 -0.302 -0.151) 3.978 29.544 ( -4.129 1.437 1.114) 4.511 29.614 ( -5.628 -1.771 -0.762) 5.949 37.975 ( 10.847 1.148 0.246) 10.910 38.009 ( 10.950 -0.498 -0.221) 10.963 38.857 ( -6.375 0.578 0.076) 6.402 38.879 ( -6.063 -0.250 -0.087) 6.069 70.069 ( 4.084 5.722 0.877) 7.085 70.116 ( 4.890 3.622 0.127) 6.087 73.791 ( -16.906 24.166 9.440) 30.966 74.323 ( -34.546 -0.812 -12.950) 36.903 ======================= Grid point 48 (29/168) ======================= q-point: ( 0.36 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -4.078 3.800 -8.332) 10.024 2.116 ( 6.589 -9.905 -12.551) 17.293 2.376 ( 3.870 6.233 7.132) 10.232 2.591 ( 5.470 3.777 -0.492) 6.665 2.837 ( -8.396 1.845 -9.111) 12.526 2.940 ( 6.890 3.842 1.949) 8.126 2.993 ( 2.978 -1.271 -8.938) 9.506 3.198 ( 6.491 -5.674 -0.956) 8.674 3.658 ( -5.147 4.098 -2.402) 7.004 3.763 ( 1.984 7.434 6.788) 10.260 3.942 ( 1.287 -2.671 1.399) 3.279 4.134 ( 5.703 -4.586 -0.646) 7.346 4.487 ( 1.866 11.418 5.528) 12.822 4.922 ( 1.361 -6.854 1.820) 7.221 5.019 ( 1.009 3.398 -6.501) 7.405 5.114 ( 0.754 -2.273 -4.509) 5.106 6.025 ( 5.464 10.228 18.954) 22.219 6.297 ( 0.604 3.815 13.023) 13.583 6.396 ( 14.299 6.593 -2.263) 15.907 6.844 ( 5.139 -7.620 -3.502) 9.836 7.130 ( -9.108 12.857 0.787) 15.776 7.210 ( -10.615 6.684 -3.191) 12.944 7.537 ( 5.087 -1.153 3.520) 6.292 7.787 ( 0.478 -8.490 -3.601) 9.235 8.541 ( -0.519 8.555 -5.733) 10.311 8.699 ( -4.821 2.177 -1.441) 5.482 8.770 ( -6.056 -0.268 2.294) 6.481 9.102 ( 3.513 -16.889 -1.963) 17.362 9.339 ( 0.158 9.491 -3.323) 10.057 9.720 ( 2.177 -7.701 -0.637) 8.028 10.942 ( -5.344 3.436 2.651) 6.884 11.155 ( -3.507 -6.063 -1.819) 7.237 11.492 ( 1.960 4.376 2.381) 5.353 11.602 ( 10.747 -2.125 -5.586) 12.297 12.027 ( -3.386 -1.500 -0.635) 3.758 12.169 ( -3.958 -6.648 3.531) 8.504 12.564 ( 5.941 4.543 -2.841) 8.000 12.878 ( 4.515 -9.420 1.352) 10.533 14.127 ( -6.028 4.352 -1.124) 7.520 14.204 ( -0.877 3.162 4.408) 5.495 14.512 ( 1.093 -1.340 -2.327) 2.899 14.559 ( -4.652 -4.513 5.517) 8.512 17.899 ( 0.980 3.900 -6.475) 7.622 18.014 ( 2.150 -1.858 -2.850) 4.025 18.224 ( 3.827 7.267 3.000) 8.744 18.596 ( 3.837 -11.290 2.627) 12.210 20.996 ( -3.177 5.146 1.842) 6.322 21.245 ( -1.531 -6.890 0.180) 7.061 21.615 ( 0.417 11.027 -1.174) 11.098 22.211 ( 1.902 -18.052 3.752) 18.536 25.215 ( -2.364 4.643 -2.531) 5.792 25.352 ( -0.131 -0.920 -0.136) 0.939 25.577 ( -2.569 -0.956 -0.246) 2.752 25.637 ( -0.830 -3.757 1.794) 4.245 29.194 ( 4.883 -0.100 -0.076) 4.885 29.196 ( 4.535 -0.129 -0.243) 4.544 29.483 ( -4.532 0.498 1.060) 4.680 29.511 ( -6.052 -0.792 -0.489) 6.123 38.164 ( 11.662 1.148 0.174) 11.720 38.193 ( 11.515 -0.204 -0.188) 11.519 38.739 ( -8.112 0.730 0.112) 8.145 38.762 ( -7.999 -0.211 -0.117) 8.003 70.145 ( 3.743 5.542 1.016) 6.764 70.190 ( 3.727 3.445 0.000) 5.075 73.618 ( -13.458 16.213 6.835) 22.152 73.730 ( -23.785 10.892 -8.520) 27.513 ======================= Grid point 49 (30/168) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -1.659 7.268 -2.147) 7.758 2.081 ( 1.173 -10.425 -6.833) 12.520 2.480 ( 2.216 3.109 2.551) 4.592 2.657 ( 3.416 8.124 -0.650) 8.836 2.692 ( -2.216 -3.137 -0.975) 3.963 2.843 ( -4.783 -0.184 -4.961) 6.894 3.074 ( 4.663 1.561 -0.649) 4.960 3.284 ( 1.867 0.882 0.124) 2.069 3.616 ( 0.415 -2.824 0.878) 2.986 3.752 ( -2.974 -4.046 -0.513) 5.048 4.047 ( 3.138 5.321 5.950) 8.577 4.161 ( 0.850 -0.016 -3.569) 3.669 4.556 ( 1.330 11.081 1.898) 11.320 4.901 ( -1.077 -0.682 -1.740) 2.157 4.987 ( 0.419 2.396 -2.247) 3.312 5.131 ( 1.681 -7.704 0.108) 7.886 6.263 ( 2.398 9.432 10.829) 14.559 6.418 ( 2.280 2.806 5.950) 6.963 6.598 ( 10.889 9.199 -1.995) 14.393 6.866 ( 1.447 1.985 -2.910) 3.808 6.961 ( -8.529 7.692 -2.081) 11.672 7.057 ( -5.641 0.438 0.733) 5.705 7.636 ( 2.938 0.502 1.802) 3.483 7.757 ( -0.171 -5.150 -2.589) 5.767 8.495 ( -0.030 8.877 -2.359) 9.185 8.633 ( -1.109 3.779 -1.195) 4.116 8.705 ( -3.578 -1.139 1.366) 3.995 9.125 ( 1.304 -18.960 -1.120) 19.038 9.317 ( -0.059 10.779 -1.067) 10.832 9.741 ( 0.719 -7.584 -0.058) 7.618 10.902 ( -1.843 1.432 1.103) 2.582 11.090 ( -2.071 -7.527 -0.631) 7.832 11.540 ( 1.228 4.503 0.911) 4.755 11.707 ( 6.169 -5.238 -3.146) 8.682 11.976 ( -1.558 -0.805 -0.462) 1.814 12.114 ( -4.108 -7.836 1.602) 8.991 12.628 ( 3.151 6.465 -0.904) 7.248 12.951 ( 2.245 -8.272 0.861) 8.614 14.035 ( -3.370 6.144 -0.198) 7.011 14.214 ( -1.165 1.993 1.865) 2.967 14.516 ( 1.326 -4.059 -1.604) 4.562 14.553 ( -1.525 -1.903 2.694) 3.634 17.865 ( 0.375 5.013 -2.435) 5.586 18.026 ( 1.284 -3.300 -1.068) 3.699 18.287 ( 1.279 7.229 1.081) 7.420 18.651 ( 1.051 -10.876 0.790) 10.956 20.972 ( -1.153 5.324 0.592) 5.480 21.224 ( -0.786 -6.616 -0.073) 6.663 21.616 ( 0.349 11.913 -0.210) 11.920 22.260 ( 0.737 -19.338 1.456) 19.407 25.167 ( -1.008 4.847 -1.083) 5.068 25.347 ( -0.146 -3.461 -0.252) 3.473 25.550 ( -0.760 1.702 0.112) 1.867 25.640 ( -0.351 -3.420 0.655) 3.500 29.258 ( 2.832 0.191 -0.253) 2.849 29.275 ( 4.377 -0.682 -0.030) 4.430 29.414 ( -4.776 0.272 -0.162) 4.787 29.426 ( -2.849 -0.293 0.548) 2.916 38.343 ( 8.997 1.113 -0.071) 9.066 38.363 ( 7.968 0.244 0.068) 7.972 38.608 ( -6.643 0.585 0.023) 6.669 38.626 ( -7.703 -0.166 -0.032) 7.705 70.202 ( 1.839 4.950 0.733) 5.331 70.228 ( 1.106 3.681 -0.305) 3.856 73.404 ( -8.454 16.701 -2.923) 18.946 73.508 ( -5.131 12.149 2.439) 13.412 ======================= Grid point 55 (31/168) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.000 -3.134 0.000) 3.134 1.789 ( 0.000 3.134 0.000) 3.134 2.169 ( 0.000 -2.472 0.000) 2.472 2.169 ( 0.000 2.472 0.000) 2.472 2.733 ( 0.000 -9.272 0.000) 9.272 2.733 ( 0.000 9.272 0.000) 9.272 3.101 ( 0.000 -2.156 0.000) 2.156 3.101 ( 0.000 2.156 0.000) 2.156 3.392 ( 0.000 -12.402 0.000) 12.402 3.392 ( 0.000 12.402 0.000) 12.402 3.973 ( 0.000 -1.754 0.000) 1.754 3.973 ( 0.000 1.754 0.000) 1.754 4.522 ( 0.000 -4.351 0.000) 4.351 4.522 ( 0.000 4.351 0.000) 4.351 5.173 ( 0.000 -4.295 0.000) 4.295 5.173 ( 0.000 4.295 0.000) 4.295 5.766 ( 0.000 -12.644 0.000) 12.644 5.766 ( 0.000 12.644 0.000) 12.644 6.520 ( 0.000 -16.656 0.000) 16.656 6.520 ( 0.000 16.656 0.000) 16.656 7.262 ( 0.000 -2.254 0.000) 2.254 7.262 ( 0.000 2.254 0.000) 2.254 7.944 ( 0.000 -4.205 0.000) 4.205 7.944 ( 0.000 4.205 0.000) 4.205 8.703 ( 0.000 -1.427 0.000) 1.427 8.703 ( 0.000 1.427 0.000) 1.427 8.963 ( 0.000 -1.349 0.000) 1.349 8.963 ( 0.000 1.349 0.000) 1.349 9.524 ( 0.000 -0.094 0.000) 0.094 9.524 ( 0.000 0.094 0.000) 0.094 11.111 ( 0.000 -0.701 0.000) 0.701 11.111 ( 0.000 0.701 0.000) 0.701 11.683 ( 0.000 -22.341 0.000) 22.341 11.683 ( 0.000 22.341 0.000) 22.341 12.076 ( 0.000 -11.844 0.000) 11.844 12.076 ( 0.000 11.844 0.000) 11.844 12.321 ( 0.000 -6.601 0.000) 6.601 12.321 ( 0.000 6.601 0.000) 6.601 14.080 ( 0.000 -7.290 0.000) 7.290 14.080 ( 0.000 7.290 0.000) 7.290 14.863 ( 0.000 -13.409 0.000) 13.409 14.863 ( 0.000 13.409 0.000) 13.409 17.825 ( 0.000 -2.186 0.000) 2.186 17.825 ( 0.000 2.186 0.000) 2.186 18.188 ( 0.000 -5.298 0.000) 5.298 18.188 ( 0.000 5.298 0.000) 5.298 21.142 ( 0.000 -0.689 0.000) 0.689 21.142 ( 0.000 0.689 0.000) 0.689 21.823 ( 0.000 -1.025 0.000) 1.025 21.823 ( 0.000 1.025 0.000) 1.025 25.385 ( 0.000 -4.712 0.000) 4.712 25.385 ( 0.000 4.712 0.000) 4.712 25.663 ( 0.000 -5.102 0.000) 5.102 25.663 ( 0.000 5.102 0.000) 5.102 29.015 ( 0.000 -0.542 0.000) 0.542 29.015 ( 0.000 0.542 0.000) 0.542 29.712 ( 0.000 -4.258 0.000) 4.258 29.712 ( 0.000 4.258 0.000) 4.258 37.686 ( 0.000 -0.718 0.000) 0.718 37.686 ( 0.000 0.718 0.000) 0.718 39.018 ( 0.000 -0.357 0.000) 0.357 39.018 ( 0.000 0.357 0.000) 0.357 69.997 ( 0.000 -0.942 0.000) 0.942 69.997 ( 0.000 0.942 0.000) 0.942 75.074 ( 0.000 -47.887 0.000) 47.887 75.074 ( 0.000 47.887 0.000) 47.887 ======================= Grid point 57 (32/168) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 14.275 -2.285 2.903) 14.746 1.937 ( 14.275 2.285 2.903) 14.746 2.203 ( 1.732 -3.498 2.989) 4.916 2.203 ( 1.732 3.498 2.989) 4.916 2.617 ( -2.627 -9.387 -13.149) 16.368 2.617 ( -2.627 9.387 -13.149) 16.368 3.195 ( 9.742 -4.347 -1.972) 10.848 3.195 ( 9.742 4.347 -1.972) 10.848 3.410 ( 1.043 -13.466 2.588) 13.752 3.410 ( 1.043 13.466 2.588) 13.752 4.023 ( 0.339 -1.776 7.216) 7.439 4.023 ( 0.339 1.776 7.216) 7.439 4.499 ( -2.686 -6.092 0.708) 6.695 4.499 ( -2.686 6.092 0.708) 6.695 5.174 ( 1.450 -4.416 -1.916) 5.027 5.174 ( 1.450 4.416 -1.916) 5.027 5.787 ( 0.712 -11.724 2.927) 12.105 5.787 ( 0.712 11.724 2.927) 12.105 6.503 ( -0.732 -17.181 -1.517) 17.263 6.503 ( -0.732 17.181 -1.517) 17.263 7.280 ( 2.195 -4.789 0.115) 5.269 7.280 ( 2.195 4.789 0.115) 5.269 7.887 ( -5.449 -4.634 -1.985) 7.424 7.887 ( -5.449 4.634 -1.985) 7.424 8.722 ( 1.673 -3.109 0.615) 3.584 8.722 ( 1.673 3.109 0.615) 3.584 8.952 ( -2.538 -1.128 1.919) 3.376 8.952 ( -2.538 1.128 1.919) 3.376 9.529 ( 2.317 -1.510 -3.090) 4.147 9.529 ( 2.317 1.510 -3.090) 4.147 11.128 ( 2.222 -1.284 -0.587) 2.632 11.128 ( 2.222 1.284 -0.587) 2.632 11.646 ( -4.288 -20.165 -0.731) 20.629 11.646 ( -4.288 20.165 -0.731) 20.629 12.035 ( -4.394 -9.457 3.790) 11.096 12.035 ( -4.394 9.457 3.790) 11.096 12.404 ( 8.140 -6.283 -1.177) 10.350 12.404 ( 8.140 6.283 -1.177) 10.350 14.105 ( 1.653 -6.865 2.009) 7.342 14.105 ( 1.653 6.865 2.009) 7.342 14.803 ( -5.369 -11.434 -2.352) 12.849 14.803 ( -5.369 11.434 -2.352) 12.849 17.893 ( 4.916 -3.848 4.404) 7.640 17.893 ( 4.916 3.848 4.404) 7.640 18.165 ( -0.191 -4.605 -3.777) 5.959 18.165 ( -0.191 4.605 -3.777) 5.959 21.147 ( -0.599 -2.212 1.764) 2.892 21.147 ( -0.599 2.212 1.764) 2.892 21.822 ( 0.161 -4.462 -0.229) 4.471 21.822 ( 0.161 4.462 -0.229) 4.471 25.385 ( -0.346 -4.438 0.560) 4.486 25.385 ( -0.346 4.438 0.560) 4.486 25.649 ( -1.365 -4.705 -0.392) 4.914 25.649 ( -1.365 4.705 -0.392) 4.914 29.027 ( 1.512 -0.483 0.070) 1.589 29.027 ( 1.512 0.483 0.070) 1.589 29.695 ( -1.980 -3.909 -0.118) 4.383 29.695 ( -1.980 3.909 -0.118) 4.383 37.725 ( 4.647 -0.783 0.016) 4.712 37.725 ( 4.647 0.783 0.016) 4.712 39.002 ( -1.972 -0.412 -0.000) 2.015 39.002 ( -1.972 0.412 -0.000) 2.015 70.015 ( 2.185 -0.960 0.049) 2.387 70.015 ( 2.185 0.960 0.049) 2.387 74.939 ( -14.791 -42.283 -1.796) 44.831 74.939 ( -14.791 42.283 -1.796) 44.831 ======================= Grid point 59 (33/168) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 4.343 -1.574 -6.702) 8.140 2.156 ( 4.343 1.574 -6.702) 8.140 2.269 ( 5.431 -9.302 5.130) 11.931 2.269 ( 5.431 9.302 5.130) 11.931 2.543 ( 11.732 -4.890 -8.003) 15.020 2.543 ( 11.732 4.890 -8.003) 15.020 3.269 ( 2.386 -6.533 -6.317) 9.396 3.269 ( 2.386 6.533 -6.317) 9.396 3.531 ( 9.693 -12.809 5.321) 16.922 3.531 ( 9.693 12.809 5.321) 16.922 4.050 ( -4.308 -0.772 1.412) 4.599 4.050 ( -4.308 0.772 1.412) 4.599 4.497 ( -0.559 -8.780 6.834) 11.140 4.497 ( -0.559 8.780 6.834) 11.140 5.180 ( 2.661 -4.231 -4.497) 6.723 5.180 ( 2.661 4.231 -4.497) 6.723 5.846 ( 0.578 -10.491 7.462) 12.888 5.846 ( 0.578 10.491 7.462) 12.888 6.490 ( 1.577 -17.389 -1.348) 17.512 6.490 ( 1.577 17.389 -1.348) 17.512 7.338 ( 4.141 -4.939 1.032) 6.527 7.338 ( 4.141 4.939 1.032) 6.527 7.743 ( -8.651 -5.673 -2.823) 10.724 7.743 ( -8.651 5.673 -2.823) 10.724 8.755 ( 1.479 -5.847 -0.181) 6.033 8.755 ( 1.479 5.847 -0.181) 6.033 8.920 ( -3.735 -1.240 1.961) 4.397 8.920 ( -3.735 1.240 1.961) 4.397 9.534 ( 2.994 -4.864 -4.888) 7.518 9.534 ( 2.994 4.864 -4.888) 7.518 11.158 ( 1.525 -2.365 -0.824) 2.933 11.158 ( 1.525 2.365 -0.824) 2.933 11.546 ( -5.228 -12.815 -1.155) 13.889 11.546 ( -5.228 12.815 -1.155) 13.889 12.043 ( -1.120 -5.777 5.811) 8.270 12.043 ( -1.120 5.777 5.811) 8.270 12.516 ( 7.194 -6.970 -2.224) 10.261 12.516 ( 7.194 6.970 -2.224) 10.261 14.164 ( 2.232 -5.288 2.754) 6.366 14.164 ( 2.232 5.288 2.754) 6.366 14.669 ( -7.536 -6.883 -1.728) 10.352 14.669 ( -7.536 6.883 -1.728) 10.352 18.019 ( 3.049 -1.816 1.739) 3.951 18.019 ( 3.049 1.816 1.739) 3.951 18.142 ( 3.991 -4.278 -1.871) 6.142 18.142 ( 3.991 4.278 -1.871) 6.142 21.151 ( -1.591 -4.285 2.323) 5.127 21.151 ( -1.591 4.285 2.323) 5.127 21.827 ( 0.660 -8.967 0.042) 8.991 21.827 ( 0.660 8.967 0.042) 8.991 25.380 ( -1.012 -3.293 0.182) 3.450 25.380 ( -1.012 3.293 0.182) 3.450 25.617 ( -1.976 -3.187 -0.123) 3.752 25.617 ( -1.976 3.187 -0.123) 3.752 29.065 ( 2.910 -0.349 0.064) 2.931 29.065 ( 2.910 0.349 0.064) 2.931 29.647 ( -3.646 -3.012 -0.095) 4.730 29.647 ( -3.646 3.012 -0.095) 4.730 37.834 ( 8.498 -0.878 0.023) 8.544 37.834 ( 8.498 0.878 0.023) 8.544 38.953 ( -4.028 -0.532 -0.003) 4.063 38.953 ( -4.028 0.532 -0.003) 4.063 70.067 ( 3.876 -1.062 0.163) 4.022 70.067 ( 3.876 1.062 0.163) 4.022 74.593 ( -23.569 -28.826 -2.216) 37.301 74.593 ( -23.569 28.826 -2.216) 37.301 ======================= Grid point 61 (34/168) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 1.348 -5.008 -16.013) 16.832 2.039 ( 1.348 5.008 -16.013) 16.832 2.417 ( 1.930 -7.318 9.384) 12.056 2.417 ( 1.930 7.318 9.384) 12.056 2.779 ( 17.868 -2.473 -1.952) 18.144 2.779 ( 17.868 2.473 -1.952) 18.144 3.168 ( -3.547 -6.567 -10.448) 12.840 3.168 ( -3.547 6.567 -10.448) 12.840 3.767 ( 8.424 -9.538 7.474) 14.758 3.767 ( 8.424 9.538 7.474) 14.758 3.935 ( -4.542 -5.565 -4.803) 8.641 3.935 ( -4.542 5.565 -4.803) 8.641 4.602 ( 2.526 -10.850 8.727) 14.151 4.602 ( 2.526 10.850 8.727) 14.151 5.151 ( 0.954 -3.391 -7.722) 8.487 5.151 ( 0.954 3.391 -7.722) 8.487 5.976 ( 2.527 -9.888 14.337) 17.599 5.976 ( 2.527 9.888 14.337) 17.599 6.540 ( 6.029 -15.668 -1.329) 16.840 6.540 ( 6.029 15.668 -1.329) 16.840 7.406 ( -1.279 -3.432 2.722) 4.563 7.406 ( -1.279 3.432 2.722) 4.563 7.585 ( -3.788 -12.192 -3.517) 13.242 7.585 ( -3.788 12.192 -3.517) 13.242 8.751 ( -0.655 -6.589 -2.452) 7.061 8.751 ( -0.655 6.589 -2.452) 7.061 8.873 ( -3.347 -4.023 0.667) 5.276 8.873 ( -3.347 4.023 0.667) 5.276 9.534 ( 2.706 -8.059 -4.153) 9.461 9.534 ( 2.706 8.059 -4.153) 9.461 11.129 ( -4.613 -5.042 -0.351) 6.843 11.129 ( -4.613 5.042 -0.351) 6.843 11.505 ( 2.345 -3.829 -1.704) 4.802 11.505 ( 2.345 3.829 -1.704) 4.802 12.077 ( -2.097 -3.797 4.703) 6.398 12.077 ( -2.097 3.797 4.703) 6.398 12.602 ( 6.517 -7.838 -2.034) 10.394 12.602 ( 6.517 7.838 -2.034) 10.394 14.214 ( 0.287 -1.982 2.073) 2.882 14.214 ( 0.287 1.982 2.073) 2.882 14.550 ( -5.823 -2.316 0.876) 6.328 14.550 ( -5.823 2.316 0.876) 6.328 18.003 ( 0.606 -2.119 -5.552) 5.973 18.003 ( 0.606 2.119 -5.552) 5.973 18.268 ( 6.423 -9.160 4.200) 11.950 18.268 ( 6.423 9.160 4.200) 11.950 21.138 ( -2.394 -5.866 1.700) 6.560 21.138 ( -2.394 5.866 1.700) 6.560 21.847 ( 1.245 -12.945 0.710) 13.024 21.847 ( 1.245 12.945 0.710) 13.024 25.351 ( -1.962 -2.487 -1.105) 3.356 25.351 ( -1.962 2.487 -1.105) 3.356 25.591 ( -1.459 -0.977 0.833) 1.944 25.591 ( -1.459 0.977 0.833) 1.944 29.122 ( 4.059 -0.228 -0.042) 4.065 29.122 ( 4.059 0.228 -0.042) 4.065 29.577 ( -4.799 -1.881 0.069) 5.155 29.577 ( -4.799 1.881 0.069) 5.155 37.995 ( 10.969 -0.869 0.018) 11.003 37.995 ( 10.969 0.869 0.018) 11.003 38.870 ( -6.145 -0.645 -0.005) 6.178 38.870 ( -6.145 0.645 -0.005) 6.178 70.139 ( 4.539 -1.251 0.274) 4.716 70.139 ( 4.539 1.251 0.274) 4.716 74.172 ( -24.238 -14.116 -1.525) 28.090 74.172 ( -24.238 14.116 -1.525) 28.090 ======================= Grid point 63 (35/168) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 2.205 -7.932 -11.228) 13.923 1.933 ( 2.205 7.932 -11.228) 13.923 2.520 ( 0.553 -7.436 7.170) 10.345 2.520 ( 0.553 7.436 7.170) 10.345 2.931 ( 0.464 -4.647 -12.281) 13.139 2.931 ( 0.464 4.647 -12.281) 13.139 3.064 ( 6.940 -7.465 0.037) 10.192 3.064 ( 6.940 7.465 0.037) 10.192 3.754 ( -7.276 -5.231 -0.641) 8.984 3.754 ( -7.276 5.231 -0.641) 8.984 4.014 ( 8.486 -7.172 2.828) 11.465 4.014 ( 8.486 7.172 2.828) 11.465 4.719 ( 2.721 -11.940 4.960) 13.212 4.719 ( 2.721 11.940 4.960) 13.212 5.077 ( -0.260 -2.356 -6.610) 7.022 5.077 ( -0.260 2.356 -6.610) 7.022 6.198 ( 3.860 -7.705 17.656) 19.647 6.198 ( 3.860 7.705 17.656) 19.647 6.648 ( 10.112 -12.529 -4.124) 16.621 6.648 ( 10.112 12.529 -4.124) 16.621 7.273 ( -13.162 -1.889 0.557) 13.309 7.273 ( -13.162 1.889 0.557) 13.309 7.614 ( 5.794 -8.352 -0.910) 10.206 7.614 ( 5.794 8.352 -0.910) 10.206 8.695 ( -1.796 -4.396 -3.456) 5.873 8.695 ( -1.796 4.396 -3.456) 5.873 8.827 ( -2.302 -9.176 -0.536) 9.476 8.827 ( -2.302 9.176 -0.536) 9.476 9.541 ( 1.793 -10.347 -2.042) 10.698 9.541 ( 1.793 10.347 -2.042) 10.698 11.032 ( -5.900 -5.789 0.180) 8.268 11.032 ( -5.900 5.789 0.180) 8.268 11.561 ( 5.903 -2.550 -2.502) 6.900 11.561 ( 5.903 2.550 -2.502) 6.900 12.054 ( -4.693 -4.173 2.403) 6.724 12.054 ( -4.693 4.173 2.403) 6.724 12.698 ( 6.556 -8.525 -0.586) 10.770 12.698 ( 6.556 8.525 -0.586) 10.770 14.203 ( -3.508 -2.831 1.567) 4.773 14.203 ( -3.508 2.831 1.567) 4.773 14.506 ( -1.529 -1.284 1.714) 2.631 14.506 ( -1.529 1.284 1.714) 2.631 17.967 ( 1.412 -2.954 -4.665) 5.700 17.967 ( 1.412 2.954 -4.665) 5.700 18.391 ( 3.826 -9.608 3.017) 10.773 18.391 ( 3.826 9.608 3.017) 10.773 21.112 ( -2.156 -6.544 0.820) 6.939 21.112 ( -2.156 6.544 0.820) 6.939 21.878 ( 1.285 -15.578 1.012) 15.664 21.878 ( 1.285 15.578 1.012) 15.664 25.301 ( -2.070 -3.882 -1.607) 4.683 25.301 ( -2.070 3.882 -1.607) 4.683 25.585 ( -0.674 -1.657 1.148) 2.125 25.585 ( -0.674 1.657 1.148) 2.125 29.194 ( 4.706 -0.077 -0.190) 4.711 29.194 ( 4.706 0.077 -0.190) 4.711 29.495 ( -5.238 -0.761 0.246) 5.299 29.495 ( -5.238 0.761 0.246) 5.299 38.183 ( 11.677 -0.758 0.006) 11.701 38.183 ( 11.677 0.758 0.006) 11.701 38.753 ( -8.021 -0.684 -0.001) 8.050 38.753 ( -8.021 0.684 -0.001) 8.050 70.212 ( 3.735 -1.206 0.262) 3.934 70.212 ( 3.735 1.207 0.262) 3.934 73.809 ( -17.818 -2.936 -0.698) 18.072 73.809 ( -17.818 2.936 -0.698) 18.072 ======================= Grid point 65 (36/168) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.725 -9.481 -3.872) 10.266 1.883 ( 0.725 9.481 -3.872) 10.267 2.568 ( -0.548 -5.621 2.573) 6.207 2.568 ( -0.549 5.622 2.573) 6.207 2.806 ( -0.680 -4.252 -5.968) 7.359 2.806 ( -0.680 4.252 -5.968) 7.359 3.187 ( 4.034 -8.316 1.083) 9.306 3.187 ( 4.034 8.316 1.083) 9.306 3.653 ( -3.222 -5.027 -0.990) 6.053 3.653 ( -3.222 5.027 -0.990) 6.053 4.132 ( 2.841 -3.017 1.639) 4.456 4.132 ( 2.841 3.017 1.639) 4.456 4.776 ( 0.787 -10.488 0.881) 10.554 4.776 ( 0.787 10.488 0.881) 10.554 5.035 ( 0.236 -2.777 -1.901) 3.374 5.035 ( 0.236 2.777 -1.901) 3.374 6.392 ( 1.266 -4.249 9.607) 10.580 6.392 ( 1.266 4.249 9.607) 10.580 6.788 ( 11.981 -8.352 -4.706) 15.344 6.788 ( 11.981 8.352 -4.706) 15.344 7.057 ( -12.547 -1.984 0.839) 12.731 7.057 ( -12.547 1.984 0.839) 12.731 7.680 ( 2.388 -3.205 -0.293) 4.008 7.680 ( 2.388 3.205 -0.293) 4.008 8.647 ( -0.636 -4.149 -1.527) 4.467 8.647 ( -0.636 4.149 -1.527) 4.467 8.793 ( -1.010 -13.356 -0.459) 13.402 8.793 ( -1.010 13.356 -0.459) 13.402 9.548 ( 0.562 -11.690 -0.510) 11.714 9.548 ( 0.562 11.690 -0.510) 11.714 10.963 ( -2.377 -4.976 0.153) 5.517 10.963 ( -2.377 4.976 0.153) 5.517 11.620 ( 3.140 -3.942 -1.522) 5.265 11.620 ( 3.140 3.942 -1.522) 5.265 12.000 ( -2.896 -3.503 0.939) 4.641 12.000 ( -2.896 3.503 0.939) 4.641 12.781 ( 3.071 -8.670 -0.000) 9.197 12.781 ( 3.071 8.670 -0.000) 9.198 14.159 ( -2.349 -5.989 0.785) 6.481 14.159 ( -2.349 5.989 0.785) 6.481 14.510 ( 0.047 -2.195 0.631) 2.284 14.510 ( 0.047 2.195 0.631) 2.284 17.955 ( 0.792 -4.108 -1.742) 4.532 17.955 ( 0.792 4.108 -1.742) 4.532 18.451 ( 1.168 -9.427 1.021) 9.554 18.451 ( 1.168 9.427 1.021) 9.554 21.091 ( -0.856 -6.676 0.219) 6.734 21.091 ( -0.856 6.676 0.219) 6.734 21.902 ( 0.549 -16.836 0.479) 16.852 21.902 ( 0.549 16.836 0.479) 16.852 25.263 ( -0.872 -4.811 -0.724) 4.943 25.263 ( -0.872 4.811 -0.724) 4.943 25.587 ( -0.182 -2.142 0.494) 2.206 25.587 ( -0.182 2.142 0.494) 2.206 29.264 ( 3.433 -0.449 -0.203) 3.468 29.264 ( 3.433 0.449 -0.203) 3.468 29.420 ( -3.625 -0.302 0.231) 3.645 29.420 ( -3.625 0.302 0.231) 3.645 38.360 ( 8.678 -0.562 -0.003) 8.696 38.360 ( 8.678 0.562 -0.003) 8.696 38.619 ( -7.321 -0.510 0.003) 7.339 38.619 ( -7.321 0.510 0.003) 7.339 70.258 ( 1.463 -0.690 0.107) 1.621 70.258 ( 1.463 0.690 0.107) 1.621 73.601 ( -6.536 -2.840 -0.178) 7.129 73.601 ( -6.536 2.840 -0.178) 7.129 ======================= Grid point 121 (37/168) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 2.158 0.000 32.601) 32.673 0.777 ( -9.334 0.000 33.939) 35.199 1.081 ( 0.317 0.000 48.493) 48.494 2.175 ( 12.488 0.000 -11.877) 17.235 2.295 ( 6.040 0.000 -9.569) 11.316 2.580 ( -5.444 0.000 2.311) 5.914 2.850 ( -3.633 0.000 -3.297) 4.906 3.118 ( -4.586 0.000 12.844) 13.639 3.377 ( -6.820 0.000 -8.070) 10.566 3.608 ( 2.609 0.000 -13.849) 14.093 3.646 ( -5.177 0.000 -10.727) 11.911 4.125 ( -3.377 0.000 -10.131) 10.679 4.190 ( 16.993 0.000 13.711) 21.835 4.626 ( -4.056 0.000 4.794) 6.279 4.803 ( 8.027 0.000 -5.566) 9.768 5.006 ( -0.335 0.000 -2.835) 2.855 5.151 ( 2.667 0.000 5.706) 6.299 5.314 ( -3.360 0.000 -0.635) 3.419 6.652 ( 3.586 0.000 -1.954) 4.084 6.671 ( -8.354 0.000 -2.380) 8.686 7.241 ( 4.174 0.000 -3.439) 5.408 7.518 ( -6.844 0.000 -7.226) 9.952 7.770 ( 18.836 0.000 3.600) 19.177 8.025 ( -9.906 0.000 -5.132) 11.156 8.316 ( -1.128 0.000 4.169) 4.319 8.421 ( 6.821 0.000 3.369) 7.608 8.786 ( -3.795 0.000 11.311) 11.931 9.097 ( 23.803 0.000 -1.271) 23.836 9.865 ( 5.064 0.000 6.090) 7.920 10.176 ( -4.065 0.000 1.493) 4.331 10.327 ( 0.271 0.000 -0.726) 0.775 10.350 ( 4.106 0.000 -0.214) 4.112 11.000 ( 0.605 0.000 -0.200) 0.637 11.289 ( -1.052 0.000 -7.688) 7.760 12.231 ( 0.581 0.000 -3.427) 3.476 12.385 ( -10.674 0.000 -9.130) 14.046 13.301 ( 22.505 0.000 0.373) 22.508 13.303 ( -3.983 0.000 1.180) 4.155 13.947 ( -6.078 0.000 8.055) 10.091 14.066 ( 2.690 0.000 5.642) 6.250 14.618 ( -0.030 0.000 0.027) 0.040 15.003 ( 10.550 0.000 -6.400) 12.339 17.469 ( 1.837 0.000 1.041) 2.111 17.591 ( -1.610 0.000 -1.505) 2.204 18.215 ( 33.007 0.000 1.225) 33.030 18.272 ( -5.081 0.000 0.070) 5.082 21.163 ( -1.674 0.000 5.607) 5.852 21.879 ( 0.439 0.000 -11.950) 11.958 22.743 ( 8.542 0.000 8.795) 12.261 23.122 ( -58.497 0.000 -1.702) 58.522 24.808 ( 0.284 0.000 -0.391) 0.483 24.823 ( -0.347 0.000 -0.699) 0.780 26.496 ( 22.405 0.000 0.725) 22.417 26.527 ( -2.646 0.000 0.068) 2.647 28.999 ( 0.142 0.000 0.403) 0.428 29.067 ( -0.257 0.000 -1.204) 1.231 29.760 ( 1.201 0.000 3.539) 3.737 30.049 ( -14.643 0.000 -2.654) 14.882 37.647 ( -0.491 0.000 0.560) 0.745 37.704 ( 6.974 0.000 -0.622) 7.001 39.004 ( -0.211 0.000 0.543) 0.583 39.053 ( 0.202 0.000 -0.479) 0.520 69.466 ( -0.755 0.000 0.879) 1.159 69.569 ( 0.717 0.000 -1.278) 1.465 73.602 ( -0.934 0.000 1.990) 2.199 73.768 ( 2.425 0.000 -1.500) 2.852 ======================= Grid point 122 (38/168) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -3.321 0.000 32.354) 32.524 1.138 ( 6.242 0.000 24.606) 25.385 1.738 ( 21.431 0.000 38.647) 44.192 2.217 ( 8.999 0.000 -17.391) 19.581 2.348 ( 11.928 0.000 -11.219) 16.375 2.580 ( 3.094 0.000 -0.484) 3.131 2.756 ( -4.764 0.000 1.652) 5.042 3.172 ( -9.035 0.000 -5.425) 10.539 3.226 ( 4.448 0.000 13.771) 14.471 3.481 ( 6.076 0.000 -21.919) 22.746 3.557 ( 0.285 0.000 -3.095) 3.108 3.979 ( -3.505 0.000 -9.204) 9.848 4.524 ( -8.392 0.000 -4.341) 9.448 4.561 ( 11.791 0.000 12.140) 16.924 4.862 ( 2.876 0.000 -1.215) 3.122 4.904 ( -6.792 0.000 -4.506) 8.151 5.279 ( 1.992 0.000 -3.889) 4.370 5.282 ( 5.337 0.000 7.016) 8.816 6.490 ( -8.050 0.000 -4.828) 9.387 6.724 ( 5.616 0.000 0.412) 5.631 7.289 ( -13.242 0.000 -6.225) 14.632 7.310 ( 6.078 0.000 -0.030) 6.079 7.792 ( -12.844 0.000 -3.098) 13.212 8.013 ( 9.718 0.000 -0.633) 9.739 8.364 ( 2.012 0.000 2.580) 3.272 8.526 ( 4.610 0.000 -0.170) 4.613 8.829 ( -2.803 0.000 5.932) 6.561 9.369 ( 13.193 0.000 -6.017) 14.500 9.884 ( -8.462 0.000 11.997) 14.681 9.924 ( -11.593 0.000 -5.262) 12.731 10.579 ( 16.500 0.000 -1.667) 16.584 10.585 ( 25.665 0.000 0.728) 25.676 11.004 ( -1.912 0.000 2.510) 3.155 11.189 ( -0.173 0.000 -10.546) 10.547 12.207 ( 0.486 0.000 -3.062) 3.100 12.308 ( 5.289 0.000 -6.318) 8.239 13.182 ( -10.245 0.000 -1.664) 10.380 13.482 ( 6.360 0.000 -6.159) 8.853 13.946 ( -3.799 0.000 5.878) 6.999 14.185 ( 1.804 0.000 9.057) 9.235 14.602 ( -0.520 0.000 -1.167) 1.278 14.968 ( -2.561 0.000 -8.632) 9.004 17.560 ( 6.588 0.000 2.314) 6.982 17.586 ( 3.586 0.000 -3.071) 4.721 18.161 ( -6.051 0.000 -2.867) 6.696 18.713 ( 32.153 0.000 -16.382) 36.086 21.183 ( -3.820 0.000 7.011) 7.985 21.748 ( -1.788 0.000 -11.445) 11.584 22.352 ( -46.565 0.000 21.662) 51.357 22.979 ( 6.304 0.000 13.497) 14.896 24.829 ( 1.956 0.000 -0.876) 2.144 24.835 ( 3.415 0.000 -0.200) 3.421 26.411 ( -9.959 0.000 -2.781) 10.340 26.549 ( -7.284 0.000 3.020) 7.885 29.021 ( 1.806 0.000 0.670) 1.927 29.061 ( 1.124 0.000 -1.373) 1.774 29.788 ( -14.289 0.000 4.813) 15.078 29.802 ( -1.777 0.000 4.999) 5.306 37.676 ( 3.615 0.000 0.298) 3.627 37.798 ( 6.988 0.000 -3.251) 7.707 38.987 ( -2.598 0.000 0.581) 2.663 39.031 ( -2.290 0.000 -0.515) 2.347 69.485 ( 1.896 0.000 0.686) 2.017 69.578 ( 1.830 0.000 -0.981) 2.076 73.326 ( -42.906 0.000 18.741) 46.821 73.474 ( -16.578 0.000 0.178) 16.579 ======================= Grid point 123 (39/168) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 1.490 0.000 29.291) 29.329 1.396 ( 2.932 0.000 10.586) 10.984 2.122 ( 5.820 0.000 -19.439) 20.292 2.409 ( 10.436 0.000 -18.380) 21.136 2.492 ( 27.528 0.000 28.340) 39.509 2.617 ( 4.242 0.000 -3.544) 5.527 2.799 ( 3.923 0.000 7.562) 8.519 3.012 ( -8.186 0.000 3.143) 8.769 3.446 ( 13.171 0.000 -15.790) 20.562 3.513 ( 9.643 0.000 16.323) 18.959 3.534 ( -0.085 0.000 -1.691) 1.693 3.809 ( -4.999 0.000 -10.694) 11.805 4.310 ( -6.389 0.000 -10.903) 12.637 4.595 ( -11.695 0.000 -7.386) 13.832 4.873 ( -0.654 0.000 0.215) 0.688 4.926 ( 9.403 0.000 7.009) 11.728 5.295 ( 5.077 0.000 -4.989) 7.118 5.451 ( 6.863 0.000 6.451) 9.419 6.341 ( -6.129 0.000 -1.310) 6.267 6.796 ( -3.806 0.000 3.299) 5.037 7.017 ( -8.692 0.000 -4.363) 9.726 7.329 ( -7.388 0.000 -5.825) 9.409 7.659 ( 1.698 0.000 6.136) 6.366 8.100 ( 2.737 0.000 -0.779) 2.846 8.405 ( 1.015 0.000 -1.028) 1.445 8.583 ( 4.003 0.000 -2.412) 4.673 8.792 ( -6.090 0.000 1.940) 6.392 9.379 ( -8.493 0.000 0.826) 8.533 9.838 ( 13.095 0.000 -13.844) 19.057 9.920 ( -1.447 0.000 12.265) 12.350 10.838 ( 16.786 0.000 -0.418) 16.791 10.999 ( -3.925 0.000 6.661) 7.732 11.025 ( 15.479 0.000 -6.553) 16.809 11.104 ( 12.651 0.000 -3.339) 13.084 12.189 ( 0.074 0.000 -1.230) 1.232 12.367 ( 9.396 0.000 -6.948) 11.686 12.951 ( -13.611 0.000 -4.304) 14.275 13.456 ( -1.435 0.000 -5.552) 5.735 13.928 ( -4.705 0.000 4.678) 6.635 14.243 ( -8.135 0.000 10.139) 12.999 14.626 ( 6.908 0.000 -2.248) 7.265 14.808 ( -6.027 0.000 -7.780) 9.841 17.624 ( 4.636 0.000 -5.188) 6.957 17.713 ( 8.465 0.000 2.823) 8.923 18.057 ( -2.059 0.000 -1.842) 2.763 18.954 ( 19.403 0.000 -17.431) 26.083 21.170 ( -7.618 0.000 9.020) 11.806 21.605 ( -2.739 0.000 -9.593) 9.976 21.957 ( -28.735 0.000 19.493) 34.723 23.203 ( 3.186 0.000 15.209) 15.539 24.867 ( 3.427 0.000 -0.715) 3.501 24.913 ( 6.086 0.000 0.012) 6.086 26.150 ( -15.424 0.000 -7.274) 17.053 26.433 ( -10.961 0.000 4.612) 11.891 29.069 ( 3.086 0.000 0.808) 3.190 29.079 ( 2.712 0.000 -1.113) 2.932 29.656 ( -7.864 0.000 3.313) 8.534 29.786 ( -5.897 0.000 4.087) 7.175 37.771 ( 7.622 0.000 0.241) 7.626 37.887 ( 7.873 0.000 -2.841) 8.370 38.930 ( -5.000 0.000 0.534) 5.028 38.969 ( -4.572 0.000 -0.477) 4.597 69.534 ( 3.277 0.000 0.360) 3.296 69.612 ( 3.073 0.000 -0.195) 3.079 72.893 ( -34.016 0.000 19.641) 39.279 73.062 ( -29.000 0.000 -6.593) 29.740 ======================= Grid point 124 (40/168) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.797 0.000 -1.539) 1.733 1.600 ( 3.365 0.000 24.558) 24.787 2.077 ( 9.714 0.000 -13.238) 16.420 2.272 ( 2.255 0.000 -25.275) 25.376 2.683 ( 5.663 0.000 -3.566) 6.692 2.969 ( -5.723 0.000 9.786) 11.337 2.995 ( 8.967 0.000 9.486) 13.053 3.177 ( 25.352 0.000 17.907) 31.039 3.468 ( -6.363 0.000 -1.156) 6.468 3.471 ( -4.089 0.000 -0.442) 4.113 3.715 ( 14.430 0.000 -14.915) 20.753 3.852 ( 10.623 0.000 13.960) 17.542 4.169 ( 3.990 0.000 -11.052) 11.750 4.267 ( -15.058 0.000 -11.687) 19.061 4.850 ( -2.533 0.000 0.606) 2.604 5.127 ( 8.831 0.000 1.283) 8.924 5.346 ( 6.849 0.000 -4.038) 7.951 5.624 ( 7.644 0.000 3.774) 8.525 6.267 ( -4.998 0.000 4.735) 6.885 6.564 ( -21.144 0.000 2.333) 21.273 7.020 ( 4.782 0.000 0.424) 4.801 7.030 ( -15.642 0.000 -8.998) 18.046 7.878 ( 9.646 0.000 10.694) 14.401 8.112 ( -0.924 0.000 0.650) 1.129 8.370 ( -1.135 0.000 -4.463) 4.605 8.592 ( 1.124 0.000 -6.436) 6.533 8.715 ( -5.517 0.000 5.563) 7.834 9.207 ( -11.154 0.000 0.507) 11.165 9.969 ( 18.283 0.000 -15.987) 24.287 10.058 ( 5.244 0.000 6.974) 8.725 10.932 ( 0.233 0.000 -11.872) 11.875 11.012 ( -5.032 0.000 11.503) 12.555 11.128 ( 17.552 0.000 1.375) 17.606 11.535 ( 24.653 0.000 2.417) 24.771 12.186 ( -0.736 0.000 1.709) 1.861 12.469 ( 11.552 0.000 -7.372) 13.704 12.684 ( -12.410 0.000 -4.824) 13.315 13.347 ( -5.448 0.000 -3.916) 6.709 13.881 ( -6.344 0.000 3.630) 7.309 14.132 ( -14.579 0.000 7.381) 16.341 14.641 ( -5.100 0.000 -6.279) 8.089 14.761 ( 9.928 0.000 -1.090) 9.987 17.602 ( 0.253 0.000 -6.047) 6.052 17.878 ( 8.039 0.000 2.584) 8.444 18.096 ( 5.792 0.000 2.349) 6.251 19.042 ( 12.024 0.000 -15.165) 19.353 21.115 ( -11.035 0.000 11.041) 15.610 21.478 ( -2.238 0.000 -7.217) 7.556 21.751 ( -17.227 0.000 13.100) 21.642 23.364 ( -0.459 0.000 11.457) 11.467 24.921 ( 3.714 0.000 -0.491) 3.746 25.030 ( 7.927 0.000 0.042) 7.927 25.797 ( -15.152 0.000 -10.588) 18.484 26.285 ( -11.644 0.000 2.939) 12.009 29.128 ( 4.258 0.000 -0.695) 4.315 29.134 ( 3.781 0.000 0.779) 3.861 29.575 ( -5.359 0.000 1.546) 5.578 29.692 ( -8.552 0.000 1.303) 8.651 37.927 ( 10.636 0.000 0.668) 10.657 38.003 ( 9.333 0.000 -2.201) 9.589 38.834 ( -7.331 0.000 0.409) 7.343 38.874 ( -6.425 0.000 -0.368) 6.435 69.593 ( 3.622 0.000 -0.204) 3.628 69.671 ( 3.814 0.000 0.269) 3.823 72.462 ( -29.110 0.000 -13.456) 32.070 72.574 ( -26.141 0.000 14.158) 29.729 ======================= Grid point 125 (41/168) ======================= q-point: ( 0.36 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 6.358 0.000 -0.906) 6.422 1.856 ( 0.430 0.000 19.114) 19.119 2.096 ( 1.970 0.000 -12.426) 12.582 2.179 ( 14.587 0.000 -7.098) 16.222 2.646 ( -0.942 0.000 -12.856) 12.890 2.977 ( -2.094 0.000 3.192) 3.817 3.250 ( 4.237 0.000 9.900) 10.768 3.288 ( -4.441 0.000 -3.191) 5.469 3.359 ( -8.799 0.000 10.095) 13.392 3.734 ( 18.349 0.000 8.658) 20.290 3.851 ( 15.278 0.000 -12.099) 19.489 3.885 ( -12.715 0.000 -11.315) 17.021 4.116 ( 4.213 0.000 7.366) 8.486 4.237 ( 12.398 0.000 -3.696) 12.938 4.810 ( -2.912 0.000 1.176) 3.141 5.235 ( 7.314 0.000 -5.006) 8.863 5.438 ( 7.748 0.000 -2.106) 8.029 5.752 ( 5.659 0.000 -1.648) 5.894 6.250 ( -19.870 0.000 3.505) 20.177 6.267 ( -5.330 0.000 11.161) 12.369 6.715 ( -10.296 0.000 -8.249) 13.193 7.099 ( 2.476 0.000 3.269) 4.101 8.075 ( -3.177 0.000 -1.716) 3.611 8.094 ( 3.469 0.000 8.621) 9.293 8.325 ( 0.607 0.000 -1.591) 1.703 8.502 ( -2.874 0.000 -5.770) 6.446 8.744 ( -0.646 0.000 8.573) 8.597 9.054 ( -7.601 0.000 0.113) 7.602 10.076 ( 15.399 0.000 -18.695) 24.220 10.160 ( 4.889 0.000 -7.365) 8.840 10.888 ( 3.432 0.000 0.559) 3.477 11.056 ( -5.962 0.000 15.102) 16.237 11.418 ( 13.837 0.000 2.979) 14.155 11.899 ( 18.809 0.000 -2.002) 18.915 12.194 ( -2.333 0.000 4.142) 4.754 12.484 ( -7.333 0.000 -0.948) 7.394 12.588 ( 12.333 0.000 -8.813) 15.158 13.224 ( -5.236 0.000 -1.760) 5.524 13.789 ( -8.497 0.000 2.958) 8.998 13.948 ( -14.724 0.000 5.385) 15.678 14.537 ( -1.487 0.000 -3.406) 3.717 14.890 ( 6.935 0.000 -1.897) 7.190 17.562 ( 0.486 0.000 -1.336) 1.421 18.013 ( 5.333 0.000 1.817) 5.634 18.233 ( 5.440 0.000 3.863) 6.672 19.070 ( 9.235 0.000 -13.359) 16.240 21.036 ( -12.046 0.000 11.556) 16.693 21.395 ( -0.415 0.000 -4.869) 4.886 21.634 ( -10.570 0.000 8.692) 13.685 23.386 ( -3.995 0.000 -0.733) 4.062 24.976 ( 3.414 0.000 0.009) 3.414 25.162 ( 7.944 0.000 -0.280) 7.949 25.511 ( -7.830 0.000 -6.445) 10.141 26.115 ( -10.844 0.000 0.190) 10.846 29.203 ( 3.618 0.000 0.656) 3.677 29.203 ( 5.580 0.000 -0.389) 5.593 29.505 ( -4.258 0.000 0.224) 4.264 29.551 ( -8.406 0.000 -0.710) 8.436 38.121 ( 11.632 0.000 1.047) 11.679 38.144 ( 9.816 0.000 -1.416) 9.918 38.700 ( -9.290 0.000 0.300) 9.295 38.757 ( -7.320 0.000 -0.277) 7.326 69.643 ( 3.008 0.000 -0.931) 3.149 69.728 ( 3.081 0.000 -0.970) 3.230 71.947 ( -15.991 0.000 -11.625) 19.770 72.309 ( -19.492 0.000 7.524) 20.894 ======================= Grid point 126 (42/168) ======================= q-point: ( 0.45 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 13.035 0.000 7.439) 15.009 1.958 ( -8.783 0.000 14.043) 16.564 2.117 ( -2.897 0.000 10.961) 11.337 2.386 ( 15.094 0.000 -2.075) 15.236 2.486 ( 9.061 0.000 -20.359) 22.284 2.948 ( -2.627 0.000 -2.096) 3.361 3.017 ( -11.856 0.000 -11.702) 16.658 3.363 ( -5.063 0.000 11.271) 12.356 3.384 ( -5.853 0.000 -0.691) 5.894 3.737 ( 4.817 0.000 3.217) 5.793 3.954 ( 9.888 0.000 -9.012) 13.378 3.965 ( 5.408 0.000 -3.408) 6.392 4.141 ( -5.566 0.000 0.148) 5.568 4.422 ( 6.894 0.000 3.715) 7.832 4.813 ( 2.065 0.000 3.487) 4.052 5.292 ( 6.078 0.000 -5.911) 8.479 5.543 ( 6.637 0.000 -0.956) 6.705 5.748 ( -1.215 0.000 -7.237) 7.338 6.014 ( -12.698 0.000 4.823) 13.583 6.257 ( -7.499 0.000 7.328) 10.485 6.620 ( 3.481 0.000 2.169) 4.101 7.164 ( 0.021 0.000 4.997) 4.997 8.002 ( -0.601 0.000 -4.217) 4.260 8.149 ( -3.886 0.000 3.633) 5.319 8.359 ( 1.878 0.000 2.968) 3.512 8.412 ( -0.991 0.000 -5.121) 5.216 8.834 ( -1.378 0.000 11.494) 11.576 8.972 ( -2.715 0.000 0.941) 2.873 10.052 ( -0.137 0.000 -19.610) 19.611 10.106 ( 12.143 0.000 -20.141) 23.518 11.054 ( 6.461 0.000 12.712) 14.260 11.109 ( -7.301 0.000 17.007) 18.508 11.587 ( 2.752 0.000 1.558) 3.162 12.092 ( 10.093 0.000 -7.372) 12.499 12.176 ( -4.323 0.000 3.609) 5.632 12.453 ( -0.644 0.000 7.077) 7.106 12.674 ( 9.006 0.000 -10.325) 13.701 13.169 ( 0.426 0.000 -0.549) 0.695 13.696 ( -5.835 0.000 4.242) 7.214 13.784 ( -9.949 0.000 3.544) 10.562 14.522 ( 1.552 0.000 -0.210) 1.566 14.939 ( 2.428 0.000 -3.873) 4.571 17.609 ( 2.793 0.000 5.507) 6.175 18.075 ( 0.557 0.000 0.398) 0.684 18.315 ( -0.258 0.000 3.235) 3.245 19.095 ( 9.787 0.000 -12.399) 15.796 20.958 ( -10.705 0.000 10.705) 15.139 21.372 ( 2.363 0.000 -2.833) 3.689 21.572 ( -6.954 0.000 7.520) 10.243 23.227 ( -4.444 0.000 -15.558) 16.180 25.034 ( 2.111 0.000 2.015) 2.919 25.263 ( 4.177 0.000 -0.807) 4.254 25.437 ( 1.607 0.000 1.666) 2.315 25.951 ( -6.575 0.000 -3.118) 7.277 29.257 ( 1.683 0.000 0.663) 1.809 29.299 ( 6.478 0.000 -0.361) 6.488 29.416 ( -6.906 0.000 -0.951) 6.971 29.443 ( -2.514 0.000 -0.949) 2.687 38.279 ( 6.798 0.000 -0.332) 6.806 38.307 ( 8.519 0.000 0.586) 8.539 38.550 ( -8.315 0.000 0.601) 8.337 38.644 ( -4.991 0.000 -0.506) 5.016 69.668 ( 1.505 0.000 -1.624) 2.214 69.740 ( 0.845 0.000 -3.305) 3.411 71.759 ( 1.905 0.000 -2.697) 3.302 72.085 ( -12.683 0.000 0.547) 12.695 ======================= Grid point 127 (43/168) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -19.375 0.000 8.693) 21.236 1.884 ( -13.135 0.000 8.787) 15.803 2.144 ( 16.135 0.000 2.570) 16.339 2.560 ( -1.496 0.000 4.523) 4.764 2.735 ( 1.649 0.000 -17.568) 17.646 2.755 ( 23.755 0.000 10.244) 25.869 2.848 ( -5.222 0.000 -4.400) 6.829 3.236 ( -4.391 0.000 -4.889) 6.571 3.397 ( -2.224 0.000 7.530) 7.852 3.665 ( -17.881 0.000 -14.474) 23.005 3.912 ( -3.052 0.000 -6.224) 6.932 3.982 ( 3.375 0.000 -7.948) 8.635 4.146 ( 6.224 0.000 9.390) 11.266 4.492 ( -1.694 0.000 4.676) 4.974 4.949 ( 5.308 0.000 7.533) 9.215 5.259 ( -3.795 0.000 -6.851) 7.832 5.571 ( -8.460 0.000 -11.108) 13.963 5.626 ( 2.195 0.000 1.882) 2.891 5.989 ( 4.818 0.000 5.178) 7.073 6.243 ( -0.152 0.000 4.541) 4.544 6.798 ( 9.583 0.000 8.973) 13.128 7.171 ( -3.344 0.000 1.042) 3.503 8.006 ( 4.164 0.000 -0.612) 4.209 8.041 ( -9.874 0.000 -2.092) 10.093 8.397 ( 3.830 0.000 -2.211) 4.422 8.426 ( 2.156 0.000 3.449) 4.067 8.905 ( -4.237 0.000 11.535) 12.289 8.985 ( 1.879 0.000 2.653) 3.251 9.820 ( -2.456 0.000 -21.076) 21.219 10.087 ( 9.967 0.000 -19.471) 21.874 11.145 ( -9.474 0.000 17.649) 20.031 11.280 ( 3.683 0.000 13.712) 14.198 11.524 ( -9.301 0.000 -2.232) 9.565 12.091 ( -9.226 0.000 1.642) 9.371 12.130 ( 3.102 0.000 -6.213) 6.944 12.569 ( 3.674 0.000 10.072) 10.721 12.665 ( 1.989 0.000 -9.240) 9.452 13.220 ( 7.392 0.000 -3.425) 8.146 13.719 ( 1.421 0.000 7.940) 8.066 13.720 ( -0.499 0.000 1.518) 1.598 14.570 ( 3.155 0.000 1.483) 3.486 14.895 ( -1.751 0.000 -5.801) 6.060 17.753 ( 4.299 0.000 11.017) 11.827 18.034 ( -4.586 0.000 -1.793) 4.924 18.283 ( -6.494 0.000 1.772) 6.731 19.149 ( 11.941 0.000 -12.661) 17.404 20.908 ( -7.829 0.000 10.240) 12.890 21.420 ( 5.778 0.000 -0.858) 5.842 21.552 ( -5.790 0.000 9.279) 10.938 22.977 ( -1.491 0.000 -23.106) 23.154 25.065 ( -1.795 0.000 3.193) 3.663 25.259 ( -3.548 0.000 -1.136) 3.726 25.578 ( 9.885 0.000 6.036) 11.582 25.860 ( 1.668 0.000 -7.118) 7.310 29.254 ( -2.903 0.000 0.546) 2.953 29.306 ( -5.655 0.000 -0.052) 5.655 29.406 ( 6.986 0.000 -1.009) 7.058 29.421 ( 1.446 0.000 -1.632) 2.180 38.286 ( -9.695 0.000 -0.337) 9.701 38.308 ( -4.192 0.000 0.745) 4.258 38.564 ( 7.666 0.000 1.186) 7.757 38.633 ( 5.103 0.000 -1.007) 5.201 69.658 ( -0.490 0.000 -2.117) 2.174 69.701 ( -0.803 0.000 -3.709) 3.795 71.906 ( -5.734 0.000 -6.347) 8.553 71.928 ( 16.426 0.000 3.921) 16.887 ======================= Grid point 128 (44/168) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -25.897 0.000 5.378) 26.450 1.606 ( -19.189 0.000 -3.004) 19.422 2.376 ( -6.032 0.000 -14.243) 15.468 2.567 ( 19.558 0.000 12.477) 23.199 2.714 ( -5.259 0.000 -2.554) 5.846 2.761 ( -1.679 0.000 5.460) 5.712 3.081 ( -26.596 0.000 -20.765) 33.742 3.195 ( 5.139 0.000 -5.418) 7.468 3.229 ( 6.410 0.000 18.721) 19.788 3.484 ( 10.580 0.000 7.068) 12.724 3.718 ( -11.520 0.000 -5.320) 12.689 3.901 ( -2.548 0.000 -9.114) 9.463 4.384 ( 9.599 0.000 6.194) 11.424 4.516 ( -0.294 0.000 4.794) 4.803 5.053 ( -10.185 0.000 -8.817) 13.471 5.065 ( 0.586 0.000 4.650) 4.687 5.289 ( -10.968 0.000 -11.741) 16.067 5.644 ( -3.590 0.000 4.598) 5.834 6.229 ( 16.698 0.000 3.652) 17.093 6.338 ( 5.061 0.000 5.708) 7.628 7.082 ( 13.332 0.000 9.299) 16.254 7.085 ( -4.402 0.000 -4.323) 6.170 7.819 ( -12.576 0.000 -3.363) 13.018 8.101 ( 4.715 0.000 3.166) 5.679 8.472 ( 6.465 0.000 -1.388) 6.613 8.488 ( 1.422 0.000 2.427) 2.812 8.922 ( -6.684 0.000 9.935) 11.974 9.073 ( 4.703 0.000 3.420) 5.816 9.582 ( -2.176 0.000 -17.847) 17.980 10.058 ( 9.036 0.000 -17.281) 19.500 11.123 ( -15.639 0.000 14.678) 21.448 11.296 ( -11.439 0.000 -3.284) 11.901 11.419 ( -0.676 0.000 8.522) 8.549 11.845 ( -20.574 0.000 0.503) 20.580 12.149 ( 4.082 0.000 -2.770) 4.933 12.584 ( -1.164 0.000 -6.667) 6.768 12.757 ( 6.850 0.000 9.956) 12.085 13.317 ( 11.259 0.000 -8.844) 14.317 13.786 ( 6.639 0.000 0.004) 6.639 13.872 ( 3.611 0.000 12.574) 13.082 14.643 ( 4.484 0.000 -0.031) 4.484 14.779 ( -4.223 0.000 -6.605) 7.840 17.900 ( -7.743 0.000 -3.952) 8.693 17.948 ( 3.724 0.000 13.783) 14.277 18.153 ( -10.035 0.000 0.290) 10.039 19.219 ( 13.673 0.000 -17.015) 21.828 20.915 ( -4.355 0.000 11.688) 12.473 21.543 ( 8.924 0.000 1.075) 8.989 21.567 ( -7.100 0.000 15.650) 17.185 22.744 ( 1.799 0.000 -23.857) 23.925 25.042 ( -4.482 0.000 2.860) 5.316 25.146 ( -7.649 0.000 -1.495) 7.793 25.841 ( 13.617 0.000 6.485) 15.082 25.842 ( 6.472 0.000 -11.613) 13.294 29.190 ( -4.674 0.000 0.009) 4.674 29.225 ( -4.548 0.000 0.511) 4.577 29.444 ( 2.628 0.000 -1.160) 2.873 29.505 ( 6.559 0.000 -1.571) 6.745 38.102 ( -11.619 0.000 -0.011) 11.619 38.200 ( -8.394 0.000 0.393) 8.403 38.709 ( 8.083 0.000 0.689) 8.112 38.747 ( 8.422 0.000 -0.687) 8.450 69.613 ( -2.167 0.000 -2.254) 3.127 69.653 ( -1.180 0.000 -2.454) 2.723 71.768 ( -0.028 0.000 -12.445) 12.445 72.320 ( 24.496 0.000 5.029) 25.007 ======================= Grid point 129 (45/168) ======================= q-point: (-0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -26.999 0.000 4.645) 27.396 1.223 ( -22.734 0.000 -4.612) 23.198 2.117 ( -11.811 0.000 -16.267) 20.103 2.365 ( -23.218 0.000 -17.798) 29.255 2.591 ( -5.106 0.000 -1.630) 5.360 2.856 ( -4.806 0.000 13.799) 14.612 3.004 ( 11.592 0.000 15.285) 19.183 3.250 ( -10.081 0.000 7.050) 12.301 3.272 ( 7.281 0.000 -3.770) 8.199 3.483 ( -9.503 0.000 -3.678) 10.190 3.747 ( -0.141 0.000 -11.208) 11.209 3.900 ( 14.217 0.000 17.043) 22.194 4.478 ( -0.990 0.000 -9.338) 9.391 4.579 ( 2.118 0.000 3.919) 4.455 4.851 ( -3.287 0.000 -1.144) 3.481 4.971 ( -4.090 0.000 -20.078) 20.490 5.098 ( -6.702 0.000 6.720) 9.491 5.608 ( -6.165 0.000 4.345) 7.542 6.505 ( 6.647 0.000 7.770) 10.225 6.543 ( 16.052 0.000 1.847) 16.158 6.982 ( 0.392 0.000 -6.336) 6.348 7.359 ( 10.057 0.000 -1.050) 10.112 7.639 ( -5.980 0.000 7.446) 9.550 8.197 ( 2.088 0.000 4.333) 4.810 8.504 ( -2.265 0.000 1.384) 2.654 8.539 ( 3.580 0.000 -3.821) 5.236 8.883 ( -8.433 0.000 7.139) 11.049 9.190 ( 6.238 0.000 1.199) 6.353 9.429 ( 2.078 0.000 -10.745) 10.944 10.044 ( 9.204 0.000 -16.035) 18.489 10.850 ( -21.350 0.000 -1.279) 21.389 11.193 ( -7.799 0.000 8.441) 11.493 11.359 ( -15.872 0.000 -3.887) 16.341 11.535 ( -13.338 0.000 6.150) 14.687 12.198 ( 3.671 0.000 -0.844) 3.767 12.521 ( -0.414 0.000 -2.466) 2.501 12.974 ( 7.969 0.000 8.391) 11.572 13.398 ( 12.914 0.000 -15.561) 20.222 13.899 ( 6.720 0.000 -0.889) 6.779 14.056 ( 0.326 0.000 17.243) 17.246 14.651 ( -3.264 0.000 -5.337) 6.256 14.699 ( 5.450 0.000 -6.182) 8.241 17.722 ( -8.102 0.000 -4.944) 9.491 17.972 ( -12.394 0.000 2.547) 12.653 18.138 ( 3.573 0.000 10.274) 10.878 19.213 ( 12.781 0.000 -31.236) 33.750 20.996 ( -0.760 0.000 12.252) 12.276 21.670 ( -9.168 0.000 36.570) 37.702 21.721 ( 10.346 0.000 1.974) 10.533 22.571 ( 4.219 0.000 -20.610) 21.038 24.983 ( -5.319 0.000 1.850) 5.631 25.006 ( -7.063 0.000 -1.754) 7.278 25.810 ( 6.231 0.000 -17.154) 18.250 26.124 ( 13.233 0.000 5.135) 14.195 29.113 ( -4.341 0.000 -0.205) 4.346 29.166 ( -3.481 0.000 0.645) 3.540 29.479 ( 2.073 0.000 0.810) 2.225 29.586 ( 5.360 0.000 -1.752) 5.639 37.921 ( -10.380 0.000 0.302) 10.384 38.061 ( -7.963 0.000 -0.999) 8.025 38.834 ( 6.396 0.000 0.441) 6.411 38.872 ( 7.332 0.000 -0.433) 7.345 69.550 ( -2.825 0.000 -1.654) 3.274 69.616 ( -0.982 0.000 -1.345) 1.666 71.649 ( 2.249 0.000 -15.351) 15.515 72.782 ( 25.870 0.000 3.139) 26.059 ======================= Grid point 130 (46/168) ======================= q-point: (-0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -25.285 0.000 5.694) 25.918 0.801 ( -25.311 0.000 2.015) 25.391 1.542 ( -41.305 0.000 4.926) 41.597 2.106 ( 6.741 0.000 -20.090) 21.191 2.484 ( -6.318 0.000 -1.933) 6.608 2.922 ( -4.382 0.000 11.525) 12.330 2.961 ( -17.002 0.000 2.007) 17.120 3.218 ( -9.210 0.000 1.940) 9.412 3.407 ( 8.305 0.000 12.855) 15.305 3.499 ( 10.866 0.000 1.047) 10.917 3.650 ( 1.024 0.000 -9.563) 9.618 4.205 ( -10.605 0.000 -17.674) 20.611 4.232 ( 7.223 0.000 11.419) 13.512 4.619 ( -4.366 0.000 3.280) 5.461 4.744 ( 5.361 0.000 -21.387) 22.049 4.905 ( 4.735 0.000 2.144) 5.198 5.066 ( -3.215 0.000 3.958) 5.099 5.531 ( -7.256 0.000 2.233) 7.592 6.681 ( 1.379 0.000 -2.817) 3.137 6.684 ( 4.119 0.000 8.533) 9.475 7.079 ( 17.236 0.000 -3.209) 17.532 7.315 ( -1.539 0.000 -8.588) 8.725 7.848 ( 10.014 0.000 14.542) 17.657 8.233 ( -4.176 0.000 3.439) 5.410 8.445 ( -4.664 0.000 0.104) 4.665 8.482 ( -3.134 0.000 -8.473) 9.034 8.807 ( -8.840 0.000 7.792) 11.784 9.255 ( 4.086 0.000 -11.570) 12.270 9.456 ( 9.544 0.000 -3.718) 10.243 10.002 ( 6.667 0.000 -21.742) 22.741 10.517 ( -17.124 0.000 4.032) 17.592 10.947 ( -24.979 0.000 -3.162) 25.179 11.146 ( -7.607 0.000 6.512) 10.014 11.454 ( -4.580 0.000 0.541) 4.612 12.240 ( 2.260 0.000 -0.998) 2.470 12.546 ( 2.737 0.000 5.624) 6.254 13.168 ( 6.414 0.000 6.121) 8.866 13.399 ( 11.725 0.000 -28.436) 30.758 13.968 ( 2.695 0.000 -0.715) 2.789 14.200 ( -5.746 0.000 17.263) 18.194 14.590 ( 0.558 0.000 -2.483) 2.545 14.676 ( 4.274 0.000 -13.785) 14.432 17.558 ( -5.901 0.000 -3.902) 7.075 17.801 ( -10.325 0.000 1.218) 10.397 18.266 ( 0.619 0.000 8.153) 8.176 18.919 ( 0.373 0.000 -55.538) 55.539 21.092 ( 0.461 0.000 5.836) 5.854 21.892 ( 8.703 0.000 -0.901) 8.750 22.170 ( 3.777 0.000 85.900) 85.983 22.486 ( 6.397 0.000 -12.768) 14.281 24.890 ( -4.729 0.000 -1.737) 5.038 24.912 ( -4.618 0.000 0.754) 4.679 25.680 ( 1.116 0.000 -22.097) 22.125 26.358 ( 9.836 0.000 3.439) 10.420 29.049 ( -3.203 0.000 -0.117) 3.205 29.122 ( -2.410 0.000 0.215) 2.420 29.549 ( 2.626 0.000 8.253) 8.660 29.648 ( 3.949 0.000 -0.871) 4.044 37.775 ( -7.800 0.000 0.545) 7.819 37.917 ( -6.752 0.000 -4.470) 8.097 38.926 ( 4.341 0.000 0.394) 4.359 38.972 ( 5.207 0.000 -0.367) 5.220 69.499 ( -2.411 0.000 0.571) 2.477 69.592 ( -0.594 0.000 -0.975) 1.142 71.570 ( 1.507 0.000 0.582) 1.616 73.197 ( 21.329 0.000 1.388) 21.374 ======================= Grid point 131 (47/168) ======================= q-point: (-0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -13.219 0.000 28.436) 31.359 0.554 ( -16.118 0.000 24.589) 29.401 1.043 ( -38.531 0.000 31.385) 49.696 2.089 ( 11.774 0.000 -14.257) 18.490 2.355 ( -3.432 0.000 -5.966) 6.883 2.718 ( -13.442 0.000 1.650) 13.543 2.923 ( -3.051 0.000 3.452) 4.607 3.101 ( -11.336 0.000 7.645) 13.673 3.529 ( -2.121 0.000 -5.324) 5.730 3.620 ( 3.948 0.000 -0.501) 3.979 3.762 ( 14.959 0.000 8.108) 17.015 3.898 ( -6.086 0.000 -11.904) 13.369 4.285 ( -2.266 0.000 -8.977) 9.259 4.588 ( -2.341 0.000 9.353) 9.641 4.735 ( 10.288 0.000 -12.162) 15.930 4.989 ( 3.957 0.000 -0.581) 4.000 5.081 ( 0.094 0.000 4.051) 4.052 5.412 ( -8.205 0.000 -0.262) 8.209 6.648 ( 0.467 0.000 -3.511) 3.542 6.764 ( -3.492 0.000 4.984) 6.085 7.240 ( 2.297 0.000 -7.286) 7.639 7.372 ( 19.228 0.000 0.570) 19.236 7.976 ( -26.836 0.000 -16.988) 31.761 8.120 ( 5.721 0.000 6.545) 8.692 8.326 ( -3.088 0.000 -4.719) 5.639 8.372 ( -4.483 0.000 -3.723) 5.827 8.765 ( -7.261 0.000 10.700) 12.931 8.936 ( -11.477 0.000 -14.743) 18.684 9.641 ( 14.444 0.000 -0.164) 14.445 9.966 ( 10.069 0.000 -0.647) 10.089 10.428 ( -7.368 0.000 10.861) 13.124 10.542 ( -20.622 0.000 -1.135) 20.653 11.057 ( -6.947 0.000 -0.031) 6.947 11.377 ( -2.582 0.000 -4.143) 4.882 12.249 ( 1.008 0.000 -2.416) 2.618 12.791 ( 14.915 0.000 15.792) 21.722 13.024 ( -14.514 0.000 -49.753) 51.827 13.290 ( 2.244 0.000 3.707) 4.333 13.998 ( 1.236 0.000 1.906) 2.272 14.072 ( -18.218 0.000 3.810) 18.612 14.602 ( 1.847 0.000 -0.471) 1.906 14.742 ( 12.727 0.000 6.513) 14.296 17.471 ( -1.799 0.000 -0.384) 1.839 17.667 ( -6.650 0.000 0.065) 6.651 18.178 ( -22.139 0.000 -30.564) 37.740 18.313 ( -2.423 0.000 4.204) 4.852 21.134 ( -0.771 0.000 4.271) 4.340 21.951 ( 4.104 0.000 -8.618) 9.545 22.549 ( 8.771 0.000 0.112) 8.772 23.494 ( 35.860 0.000 47.622) 59.614 24.826 ( -1.665 0.000 -0.075) 1.667 24.854 ( -2.765 0.000 -0.134) 2.769 25.611 ( 18.730 0.000 24.538) 30.869 26.502 ( 4.288 0.000 1.849) 4.670 29.009 ( -1.630 0.000 0.113) 1.634 29.090 ( -1.372 0.000 -0.560) 1.481 29.703 ( 2.737 0.000 1.133) 2.962 29.850 ( 18.943 0.000 21.807) 28.886 37.681 ( -4.377 0.000 0.656) 4.426 37.731 ( -8.314 0.000 -6.358) 10.466 38.983 ( 2.117 0.000 0.458) 2.166 39.033 ( 2.745 0.000 -0.412) 2.775 69.484 ( -1.897 0.000 1.811) 2.622 69.576 ( -0.064 0.000 -1.122) 1.123 72.278 ( 64.406 0.000 82.814) 104.911 73.488 ( 12.140 0.000 1.317) 12.211 ======================= Grid point 132 (48/168) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -1.169 5.160 22.104) 22.729 0.975 ( 3.426 13.132 28.604) 31.660 1.401 ( -4.452 22.594 36.125) 42.841 2.048 ( 12.706 -5.933 -10.973) 17.806 2.419 ( -0.768 4.717 -11.559) 12.508 2.598 ( -3.997 2.033 4.193) 6.139 2.878 ( -6.240 2.953 -3.172) 7.597 3.038 ( -1.140 -2.893 8.106) 8.682 3.476 ( -2.228 3.805 -3.986) 5.944 3.584 ( -1.475 -1.643 -13.053) 13.238 3.729 ( -2.259 8.065 -9.075) 12.350 4.142 ( -1.839 1.322 -6.295) 6.690 4.240 ( 15.930 5.940 10.204) 19.828 4.707 ( -3.587 7.193 5.314) 9.636 4.790 ( 7.527 -2.394 -5.626) 9.698 4.979 ( -0.471 -0.740 -2.978) 3.105 5.175 ( 1.884 2.632 5.654) 6.515 5.303 ( -3.573 -0.455 -0.150) 3.604 6.581 ( -0.245 -5.460 -2.454) 5.991 6.712 ( -2.116 1.662 -0.517) 2.740 7.293 ( 2.876 3.534 -8.164) 9.349 7.508 ( -10.092 -0.313 -7.521) 12.590 7.763 ( 13.294 0.259 4.172) 13.935 8.031 ( -5.891 -4.036 1.493) 7.295 8.447 ( -1.137 10.001 -2.198) 10.303 8.532 ( 0.606 10.483 -6.175) 12.181 8.787 ( -1.653 0.458 10.802) 10.937 9.082 ( 18.057 -1.532 -1.340) 18.171 9.711 ( 10.067 -10.320 6.829) 15.953 10.088 ( -13.327 -12.893 5.916) 19.464 10.412 ( -8.671 9.987 1.037) 13.267 10.466 ( 17.374 12.933 1.220) 21.694 11.012 ( -0.600 1.421 -0.664) 1.680 11.279 ( -1.318 -0.960 -7.024) 7.211 12.219 ( 0.565 -0.819 -3.184) 3.336 12.396 ( -7.512 1.101 -5.250) 9.231 13.031 ( 13.977 -14.652 9.315) 22.290 13.227 ( -3.188 -8.705 0.618) 9.291 13.921 ( -2.911 -1.644 6.238) 7.077 14.101 ( 2.153 2.623 5.039) 6.075 14.674 ( 0.737 0.626 -2.165) 2.371 15.282 ( 1.605 15.866 -22.467) 27.551 17.489 ( 2.734 2.417 0.812) 3.738 17.634 ( -1.556 4.113 -1.689) 4.711 18.158 ( 22.331 -4.225 4.577) 23.183 18.285 ( -2.207 0.702 -0.836) 2.462 21.154 ( -0.794 -0.826 5.615) 5.731 21.863 ( -0.395 -1.693 -11.573) 11.703 22.349 ( -35.791 -45.671 39.492) 70.189 22.645 ( 7.255 -10.077 7.591) 14.554 24.871 ( 0.300 5.968 0.081) 5.976 25.081 ( -4.262 14.715 -11.495) 19.152 26.129 ( 14.097 -21.391 15.653) 30.022 26.454 ( -1.461 -8.541 0.215) 8.667 29.000 ( 0.150 0.055 0.397) 0.428 29.064 ( -0.239 -0.360 -1.070) 1.154 29.674 ( -1.306 -5.052 7.758) 9.350 29.972 ( -4.300 -3.712 -0.749) 5.730 37.650 ( -0.652 0.230 0.412) 0.805 37.689 ( 3.690 -0.644 0.381) 3.765 39.008 ( -0.166 0.382 0.431) 0.600 39.047 ( 0.156 -0.586 -0.382) 0.717 69.517 ( -0.789 5.042 0.979) 5.196 69.615 ( 0.160 4.392 -0.906) 4.487 72.556 ( 3.113 -8.229 45.717) 46.556 75.875 ( -4.017 72.276 -94.853) 119.319 ======================= Grid point 133 (49/168) ======================= q-point: ( 0.09 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 8.284 4.406 20.403) 22.457 1.363 ( 6.729 13.407 25.676) 29.737 1.827 ( 13.983 7.727 30.685) 34.595 2.158 ( 11.903 -2.951 -14.229) 18.784 2.330 ( 6.510 -2.047 -10.167) 12.245 2.612 ( 2.214 2.570 -0.544) 3.435 2.791 ( -2.151 3.890 2.190) 4.956 3.114 ( -0.740 -1.931 2.125) 2.965 3.373 ( -0.974 9.397 3.138) 9.955 3.521 ( 2.329 -2.845 -5.880) 6.935 3.585 ( 1.192 8.648 -16.019) 18.243 4.003 ( -3.645 2.328 -8.730) 9.743 4.589 ( 2.775 6.285 2.441) 7.291 4.629 ( 1.185 6.331 2.637) 6.960 4.813 ( -2.659 -4.892 -0.631) 5.604 4.927 ( -0.169 2.981 -1.781) 3.477 5.272 ( 1.559 -0.055 -2.470) 2.922 5.302 ( 5.266 1.862 6.745) 8.757 6.500 ( -5.938 -0.184 -3.255) 6.774 6.725 ( 5.439 0.466 -1.400) 5.636 7.264 ( -13.395 -1.490 -5.026) 14.384 7.303 ( 4.962 -0.565 -2.042) 5.396 7.823 ( -11.293 1.456 -1.059) 11.436 8.011 ( 7.229 -0.123 0.591) 7.255 8.406 ( -0.922 3.920 -0.406) 4.048 8.567 ( 3.924 4.158 -0.212) 5.721 8.849 ( -1.683 1.922 4.744) 5.388 9.296 ( 11.075 -6.213 -4.234) 13.386 9.841 ( -2.967 -4.295 -1.151) 5.346 9.900 ( -10.166 -4.713 10.331) 15.241 10.490 ( 16.418 1.746 -2.317) 16.672 10.763 ( 17.927 9.592 0.269) 20.334 11.013 ( -0.764 0.845 2.835) 3.055 11.186 ( -0.109 -0.095 -9.100) 9.101 12.200 ( 0.512 -0.368 -2.421) 2.502 12.337 ( 4.116 2.542 -5.142) 7.060 13.092 ( -9.592 -8.970 -1.190) 13.187 13.294 ( 8.391 -14.255 0.051) 16.541 13.936 ( -2.905 -0.838 5.456) 6.238 14.207 ( 3.350 0.501 6.024) 6.911 14.633 ( -3.923 3.125 -0.839) 5.086 15.054 ( -5.911 5.780 -11.273) 13.980 17.576 ( 5.336 1.945 1.254) 5.816 17.624 ( 3.845 3.532 -2.399) 5.746 18.163 ( -5.818 0.090 -3.001) 6.547 18.627 ( 28.474 -7.691 -9.617) 31.023 21.184 ( -3.309 0.177 6.887) 7.643 21.723 ( -3.147 -2.710 -9.916) 10.750 22.076 ( -33.161 -21.409 26.460) 47.519 22.867 ( 7.095 -10.740 11.444) 17.224 24.888 ( 1.436 6.034 0.013) 6.202 24.977 ( 0.519 10.968 -3.888) 11.648 26.281 ( -5.280 -13.544 3.508) 14.954 26.387 ( -6.049 -11.534 1.506) 13.110 29.021 ( 1.786 0.027 0.649) 1.900 29.059 ( 1.144 -0.193 -1.254) 1.708 29.695 ( -5.569 -4.131 7.033) 9.876 29.858 ( -6.273 1.015 0.401) 6.367 37.679 ( 3.673 0.227 0.349) 3.697 37.774 ( 6.708 -1.750 -1.609) 7.117 38.990 ( -2.534 0.354 0.451) 2.598 39.026 ( -2.261 -0.494 -0.399) 2.349 69.537 ( 1.822 5.201 1.229) 5.646 69.621 ( 1.688 4.290 -0.764) 4.673 72.901 ( -13.010 -1.400 39.550) 41.658 74.590 ( -48.579 57.980 -45.665) 88.357 ======================= Grid point 134 (50/168) ======================= q-point: ( 0.18 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 9.916 5.509 15.146) 18.922 1.635 ( -1.207 16.316 18.943) 25.030 2.066 ( 7.806 -4.819 -19.345) 21.410 2.382 ( 11.759 -3.824 -2.405) 12.598 2.467 ( 18.901 -0.765 8.156) 20.600 2.672 ( 8.202 3.984 -0.939) 9.167 2.841 ( 3.867 4.715 5.458) 8.184 3.056 ( -4.658 3.874 4.763) 7.707 3.478 ( -1.628 -3.740 -2.325) 4.695 3.497 ( 9.123 3.491 -9.658) 13.736 3.593 ( 8.903 7.213 8.153) 14.063 3.853 ( -3.307 4.377 -7.890) 9.610 4.384 ( -7.180 6.744 -11.705) 15.298 4.594 ( -10.893 0.274 -5.540) 12.224 4.866 ( 1.826 0.487 1.519) 2.425 4.998 ( 7.883 5.796 5.742) 11.345 5.295 ( 4.767 0.702 -3.250) 5.812 5.473 ( 7.339 2.112 6.324) 9.916 6.373 ( -5.547 2.920 -1.657) 6.484 6.821 ( 2.598 1.467 2.209) 3.712 6.980 ( -13.562 -1.961 -3.803) 14.221 7.328 ( -4.266 -0.871 -4.550) 6.298 7.670 ( -2.040 1.150 4.199) 4.808 8.096 ( 2.107 -0.558 0.557) 2.249 8.390 ( -0.742 -0.815 -1.342) 1.737 8.628 ( 3.774 4.048 -1.059) 5.635 8.812 ( -5.608 1.871 0.664) 5.949 9.331 ( -5.595 -4.090 0.568) 6.954 9.753 ( 8.802 -7.967 -11.525) 16.547 9.968 ( -0.957 2.553 11.392) 11.713 10.781 ( 19.129 -3.013 -0.991) 19.390 10.972 ( 3.812 0.630 1.185) 4.042 11.048 ( 2.148 0.127 -8.505) 8.773 11.200 ( 14.347 7.042 4.206) 16.527 12.187 ( -0.101 -0.058 -0.707) 0.717 12.385 ( 8.052 1.594 -6.245) 10.314 12.877 ( -12.631 -7.360 -3.743) 15.090 13.353 ( 1.267 -9.028 -3.071) 9.620 13.930 ( -3.800 0.359 4.562) 5.948 14.276 ( -5.030 1.070 6.697) 8.444 14.563 ( -0.671 -1.491 -2.448) 2.944 14.894 ( -3.945 4.669 -4.691) 7.705 17.630 ( 4.374 0.916 -5.081) 6.766 17.739 ( 7.812 2.534 2.451) 8.571 18.057 ( -2.241 0.024 -2.164) 3.116 18.889 ( 18.460 -6.282 -13.489) 23.710 21.175 ( -7.607 0.522 9.032) 11.820 21.575 ( -3.677 -2.838 -8.155) 9.385 21.841 ( -22.391 -10.182 18.135) 30.559 23.083 ( 4.480 -11.552 12.223) 17.404 24.911 ( 2.196 4.892 -1.201) 5.496 25.005 ( 4.331 7.528 0.057) 8.685 26.087 ( -13.388 -5.974 -6.646) 16.097 26.314 ( -8.343 -10.920 5.138) 14.671 29.068 ( 3.031 -0.094 0.617) 3.095 29.079 ( 2.749 -0.020 -0.888) 2.888 29.642 ( -6.494 -1.117 3.734) 7.574 29.780 ( -5.981 -0.741 2.001) 6.350 37.775 ( 7.666 0.395 0.318) 7.683 37.876 ( 8.169 -0.924 -2.132) 8.493 38.934 ( -4.928 0.316 0.376) 4.953 38.966 ( -4.501 -0.271 -0.331) 4.521 69.592 ( 3.223 5.609 1.016) 6.549 69.658 ( 3.333 4.513 -0.220) 5.615 72.934 ( -24.101 11.673 30.251) 40.401 73.513 ( -41.823 33.358 -25.123) 59.102 ======================= Grid point 135 (51/168) ======================= q-point: ( 0.27 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 7.800 7.075 -0.911) 10.570 1.743 ( -4.983 11.464 20.375) 23.904 2.057 ( 12.207 -1.938 -14.192) 18.820 2.302 ( 2.673 2.585 -23.100) 23.398 2.715 ( 6.484 1.743 0.500) 6.732 2.898 ( 1.225 -4.487 10.744) 11.707 3.033 ( 10.261 4.304 8.031) 13.722 3.210 ( 13.374 1.681 8.945) 16.178 3.399 ( -6.099 -5.129 -1.015) 8.033 3.523 ( -0.060 3.784 2.157) 4.356 3.734 ( 11.590 2.878 -10.515) 15.911 3.934 ( 9.292 7.142 10.286) 15.593 4.187 ( -4.313 1.356 -11.493) 12.350 4.347 ( -5.911 8.277 -9.101) 13.648 4.859 ( -2.382 1.039 0.743) 2.703 5.184 ( 8.695 4.736 1.256) 9.980 5.363 ( 6.768 2.520 -2.228) 7.558 5.656 ( 8.573 3.001 3.507) 9.737 6.300 ( -4.349 3.211 3.508) 6.444 6.621 ( -20.085 5.478 1.362) 20.863 6.935 ( -0.897 -3.593 -4.254) 5.640 7.106 ( -8.739 3.061 -3.017) 9.738 7.832 ( 8.660 -4.261 8.474) 12.844 8.107 ( -1.479 -1.012 1.225) 2.171 8.348 ( -1.438 -1.353 -2.760) 3.394 8.640 ( 0.135 4.112 -6.350) 7.566 8.726 ( -5.272 1.154 5.018) 7.370 9.188 ( -9.712 -1.623 -0.000) 9.847 9.860 ( 16.490 -10.369 -13.915) 23.939 10.063 ( 1.707 -0.317 5.824) 6.078 10.950 ( 0.476 0.638 -8.502) 8.539 11.009 ( 0.462 1.031 7.555) 7.639 11.121 ( 17.157 -0.217 0.187) 17.160 11.550 ( 19.623 1.077 3.342) 19.935 12.185 ( -0.829 0.013 1.687) 1.880 12.454 ( 6.908 -2.012 -7.128) 10.128 12.650 ( -8.302 -3.034 -3.347) 9.451 13.300 ( -3.206 -4.452 -2.972) 6.240 13.896 ( -5.682 1.556 3.484) 6.845 14.167 ( -13.499 2.859 5.421) 14.825 14.556 ( 1.328 -4.568 -3.623) 5.979 14.842 ( 1.428 4.187 -1.293) 4.609 17.612 ( 0.760 1.127 -5.991) 6.143 17.892 ( 7.524 1.440 2.474) 8.051 18.084 ( 5.026 -1.135 1.877) 5.484 18.996 ( 11.684 -4.563 -13.136) 18.162 21.118 ( -11.228 0.298 11.021) 15.736 21.448 ( -2.756 -2.701 -6.509) 7.567 21.696 ( -13.702 -5.091 11.662) 18.699 23.237 ( 1.291 -12.245 8.164) 14.774 24.940 ( 2.683 2.558 -1.122) 3.873 25.100 ( 6.231 5.829 1.097) 8.603 25.775 ( -13.258 -2.172 -9.599) 16.512 26.205 ( -9.909 -7.676 3.156) 12.925 29.126 ( 4.248 -0.158 -0.510) 4.282 29.135 ( 3.789 0.028 0.579) 3.833 29.572 ( -5.210 -0.218 1.544) 5.438 29.679 ( -7.967 -1.151 0.740) 8.084 37.931 ( 10.581 0.414 0.595) 10.606 38.002 ( 9.661 -0.044 -1.812) 9.830 38.837 ( -7.226 0.297 0.246) 7.237 38.874 ( -6.401 -0.029 -0.211) 6.404 69.656 ( 3.486 5.974 0.430) 6.931 69.721 ( 4.212 4.948 -0.024) 6.498 72.679 ( -30.838 20.505 -17.257) 40.856 72.770 ( -26.882 18.716 17.344) 37.064 ======================= Grid point 136 (52/168) ======================= q-point: ( 0.36 0.10 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 4.021 6.014 -1.835) 7.463 1.903 ( -1.228 4.535 15.858) 16.539 2.155 ( 6.965 5.326 -9.598) 13.000 2.184 ( 13.664 0.873 -9.849) 16.866 2.737 ( -1.739 8.193 -6.278) 10.467 2.938 ( -2.760 -3.073 2.047) 4.610 3.216 ( -2.763 -3.912 5.694) 7.441 3.265 ( -5.424 -1.855 2.925) 6.436 3.403 ( 6.093 4.470 8.392) 11.293 3.745 ( 10.392 1.116 5.376) 11.753 3.783 ( 5.412 -2.021 -11.446) 12.821 3.968 ( -0.085 3.949 -9.995) 10.747 4.138 ( 3.442 2.685 5.083) 6.700 4.358 ( 10.112 10.797 -1.142) 14.837 4.823 ( -2.659 1.290 1.323) 3.238 5.301 ( 7.228 5.552 -3.259) 9.679 5.461 ( 7.228 2.961 -2.161) 8.105 5.797 ( 7.023 4.306 -2.567) 8.629 6.295 ( -9.652 4.904 9.303) 14.274 6.328 ( -12.512 5.871 3.123) 14.170 6.707 ( -10.240 -0.168 -8.226) 13.136 7.112 ( 1.670 1.005 4.070) 4.512 7.995 ( 0.741 -6.251 1.806) 6.549 8.097 ( 0.407 -1.731 3.178) 3.642 8.318 ( -0.303 -0.178 0.743) 0.822 8.531 ( -3.749 2.328 -5.744) 7.243 8.750 ( -0.915 0.683 7.455) 7.541 9.051 ( -6.431 -0.055 -0.130) 6.433 9.947 ( 12.140 -11.097 -17.360) 23.914 10.130 ( 4.275 -3.854 -3.045) 6.512 10.896 ( 0.436 0.567 -1.808) 1.945 11.103 ( -1.008 4.285 12.725) 13.465 11.400 ( 13.676 -1.671 1.683) 13.880 11.858 ( 16.462 -4.082 -1.984) 17.076 12.182 ( -3.297 -1.109 3.470) 4.913 12.416 ( -1.811 -4.780 -2.115) 5.532 12.625 ( 6.825 1.707 -4.467) 8.334 13.215 ( -3.647 -1.160 -1.634) 4.161 13.805 ( -8.410 1.564 2.058) 8.798 13.994 ( -12.959 4.374 4.634) 14.441 14.528 ( -0.025 -0.661 -2.491) 2.578 14.883 ( 3.991 -1.072 -1.900) 4.548 17.580 ( 0.862 1.891 -1.306) 2.454 18.021 ( 5.198 0.903 1.796) 5.574 18.204 ( 4.896 -2.636 3.538) 6.591 19.033 ( 8.847 -3.713 -12.314) 15.610 21.036 ( -12.014 0.012 11.295) 16.489 21.364 ( -0.762 -2.712 -4.439) 5.257 21.613 ( -8.534 -2.177 7.799) 11.764 23.264 ( -1.847 -11.791 -2.653) 12.226 24.976 ( 2.498 0.655 0.038) 2.583 25.220 ( 6.869 4.742 0.860) 8.391 25.518 ( -7.309 0.667 -6.157) 9.580 26.060 ( -9.581 -5.296 0.358) 10.953 29.202 ( 5.038 -0.083 -0.126) 5.040 29.203 ( 4.224 -0.034 0.373) 4.241 29.501 ( -4.465 -0.350 -0.022) 4.478 29.547 ( -7.916 -0.425 -0.415) 7.938 38.120 ( 11.322 0.048 0.410) 11.330 38.154 ( 10.343 0.845 -0.733) 10.403 38.704 ( -9.114 0.385 0.159) 9.123 38.757 ( -7.458 0.029 -0.135) 7.459 69.709 ( 2.909 6.370 -0.539) 7.023 69.781 ( 3.330 5.138 -1.107) 6.222 72.119 ( -16.109 16.926 -13.013) 26.746 72.516 ( -21.642 19.704 10.156) 30.980 ======================= Grid point 137 (53/168) ======================= q-point: ( 0.45 0.10 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 5.728 -1.000 9.054) 10.760 1.996 ( -2.743 5.370 10.949) 12.499 2.263 ( 3.785 11.389 9.613) 15.377 2.382 ( 17.338 -0.559 -4.917) 18.031 2.575 ( -1.844 9.122 -11.513) 14.804 2.885 ( -2.715 -4.207 -4.327) 6.617 3.063 ( -7.517 3.104 -6.475) 10.395 3.314 ( -3.335 -2.857 9.214) 10.207 3.421 ( -10.155 2.055 -5.237) 11.609 3.750 ( 9.475 1.518 5.326) 10.975 3.923 ( 6.159 -2.200 -5.594) 8.606 4.033 ( 5.910 5.008 -3.432) 8.473 4.136 ( -3.607 0.556 -1.581) 3.977 4.510 ( 3.607 7.769 4.093) 9.493 4.833 ( 2.484 1.932 3.283) 4.548 5.358 ( 4.146 6.098 -5.312) 9.088 5.545 ( 5.072 0.332 -1.499) 5.299 5.807 ( 0.671 5.872 -8.662) 10.487 6.097 ( -10.246 8.769 3.093) 13.836 6.303 ( -7.504 4.448 5.720) 10.431 6.612 ( 3.831 -0.476 3.135) 4.973 7.173 ( -0.488 0.742 5.049) 5.127 7.950 ( -0.431 -5.079 -4.021) 6.492 8.136 ( -2.882 -1.684 3.376) 4.748 8.348 ( 0.757 -0.636 3.989) 4.110 8.433 ( -1.066 1.750 -4.936) 5.344 8.819 ( -1.827 -1.345 9.662) 9.925 8.991 ( -1.636 1.805 1.807) 3.033 9.909 ( 4.326 -9.877 -17.127) 20.239 10.129 ( 7.308 -2.104 -15.792) 17.528 10.937 ( -1.391 -5.573 10.472) 11.944 11.222 ( -0.245 5.691 12.698) 13.917 11.553 ( 2.340 -3.315 1.239) 4.242 12.030 ( 10.889 -5.945 -8.467) 15.020 12.152 ( -4.766 -2.255 4.684) 7.052 12.437 ( 1.273 -1.016 5.763) 5.989 12.685 ( 5.563 0.300 -5.816) 8.054 13.169 ( 0.093 -0.452 -1.035) 1.133 13.700 ( -5.100 0.970 1.556) 5.420 13.855 ( -8.619 6.473 4.109) 11.536 14.523 ( 1.178 0.160 -0.483) 1.283 14.904 ( 1.838 -3.561 -4.017) 5.674 17.631 ( 2.890 2.240 5.425) 6.542 18.082 ( 0.535 0.793 0.360) 1.022 18.281 ( -0.199 -3.211 3.289) 4.601 19.057 ( 8.993 -3.866 -11.863) 15.380 20.957 ( -10.453 -0.077 10.214) 14.615 21.341 ( 2.187 -2.563 -2.268) 4.061 21.568 ( -5.920 -0.688 6.847) 9.078 23.130 ( -2.727 -9.447 -15.257) 18.151 25.026 ( 1.808 -0.208 2.670) 3.231 25.316 ( 3.262 4.520 -1.299) 5.724 25.438 ( 1.261 0.006 1.622) 2.054 25.916 ( -5.856 -3.492 -2.811) 7.375 29.257 ( 1.832 0.027 0.602) 1.928 29.300 ( 6.589 0.060 -0.272) 6.594 29.408 ( -6.350 -0.653 -1.014) 6.463 29.445 ( -3.231 0.121 -0.699) 3.308 38.282 ( 7.524 0.312 -0.293) 7.536 38.316 ( 7.813 0.831 0.480) 7.871 38.556 ( -7.924 0.657 0.457) 7.964 38.642 ( -5.337 -0.245 -0.366) 5.355 69.733 ( 1.070 6.258 -1.682) 6.567 69.798 ( 1.268 5.695 -2.860) 6.498 71.928 ( 2.290 16.593 -2.724) 16.971 72.277 ( -14.231 18.524 1.550) 23.411 ======================= Grid point 138 (54/168) ======================= q-point: (-0.45 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -11.545 -2.256 12.517) 17.177 2.024 ( -9.355 10.684 9.994) 17.365 2.265 ( 5.223 10.697 -4.053) 12.576 2.576 ( -0.288 1.460 4.627) 4.860 2.720 ( 9.269 -2.207 -0.893) 9.570 2.821 ( 14.415 4.759 1.862) 15.294 2.883 ( -4.592 7.244 -8.489) 12.068 3.190 ( -5.416 -4.267 -4.689) 8.339 3.382 ( -1.706 -1.184 6.325) 6.657 3.727 ( -17.628 4.358 -10.531) 20.991 3.921 ( -1.822 1.775 -7.409) 7.834 3.978 ( 5.696 -0.434 -4.904) 7.529 4.193 ( 4.532 4.107 7.318) 9.537 4.546 ( -2.171 5.480 4.324) 7.310 4.964 ( 4.693 1.444 7.606) 9.053 5.289 ( -4.697 3.487 -8.199) 10.073 5.567 ( -3.210 -2.413 -2.847) 4.923 5.672 ( -3.781 6.275 -7.116) 10.213 6.091 ( 5.987 10.149 3.323) 12.243 6.271 ( -0.168 2.787 3.092) 4.167 6.803 ( 9.632 0.568 9.242) 13.361 7.167 ( -3.924 -0.564 0.379) 3.983 7.947 ( 0.808 -5.295 0.065) 5.356 8.053 ( -6.048 0.570 -1.681) 6.303 8.403 ( 1.731 0.029 2.466) 3.013 8.429 ( 3.722 0.920 -0.140) 3.836 8.873 ( -2.629 -2.464 9.006) 9.700 9.023 ( 0.873 3.103 4.466) 5.508 9.764 ( -0.457 -5.032 -17.434) 18.152 10.078 ( 8.400 -1.790 -19.471) 21.281 11.021 ( -5.750 -8.948 16.461) 19.599 11.333 ( -0.350 2.583 9.848) 10.187 11.498 ( -8.101 -2.662 -1.642) 8.683 12.072 ( -9.682 -2.848 0.934) 10.135 12.089 ( 5.196 -2.881 -4.821) 7.651 12.544 ( 2.501 -2.169 9.249) 9.824 12.676 ( 0.630 0.645 -5.891) 5.960 13.200 ( 5.733 -2.309 -3.139) 6.932 13.705 ( 3.540 1.208 2.280) 4.380 13.816 ( -1.236 6.814 4.910) 8.489 14.549 ( 1.719 -1.736 0.382) 2.473 14.862 ( -0.809 -3.435 -5.748) 6.745 17.773 ( 4.152 2.005 10.775) 11.720 18.041 ( -4.505 0.810 -1.783) 4.912 18.257 ( -5.942 -2.502 2.122) 6.787 19.095 ( 10.229 -5.308 -12.356) 16.896 20.905 ( -7.527 -0.206 9.302) 11.967 21.393 ( 5.587 -2.124 0.100) 5.978 21.553 ( -5.237 -0.307 8.368) 9.877 22.909 ( -0.831 -6.842 -21.920) 22.978 25.069 ( -0.994 0.640 3.944) 4.117 25.285 ( -4.002 2.293 -1.710) 4.919 25.575 ( 9.372 -0.286 5.414) 10.828 25.832 ( 1.258 -2.748 -6.454) 7.127 29.256 ( -2.841 0.242 0.588) 2.911 29.302 ( -5.635 -0.398 -0.188) 5.652 29.409 ( 6.981 0.291 -0.666) 7.019 29.418 ( 1.486 -0.217 -1.590) 2.187 38.288 ( -9.441 0.213 -0.262) 9.447 38.316 ( -4.657 0.743 0.565) 4.749 38.571 ( 7.431 0.676 1.032) 7.533 38.630 ( 5.329 -0.268 -0.863) 5.405 69.709 ( -1.296 5.304 -2.333) 5.938 69.774 ( -0.346 6.783 -3.113) 7.471 72.074 ( -2.066 16.979 -4.179) 17.608 72.130 ( 14.139 18.984 2.951) 23.854 ======================= Grid point 139 (55/168) ======================= q-point: (-0.36 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -21.470 6.085 3.425) 22.577 1.788 ( -20.190 14.996 -0.398) 25.153 2.441 ( -4.914 5.455 -9.586) 12.075 2.510 ( 7.032 -5.661 5.365) 10.501 2.747 ( -0.366 6.300 -2.514) 6.793 2.783 ( 2.066 0.681 4.428) 4.934 3.141 ( 2.166 -2.059 -1.408) 3.304 3.157 ( -20.654 4.775 -14.000) 25.404 3.273 ( 5.316 2.571 15.529) 16.614 3.512 ( 8.975 3.138 4.847) 10.672 3.771 ( -7.777 4.967 -4.448) 10.244 3.924 ( -2.711 1.613 -8.260) 8.842 4.368 ( 6.646 0.034 5.124) 8.392 4.580 ( 0.980 5.189 5.351) 7.518 5.053 ( -7.711 0.480 -0.921) 7.780 5.100 ( -1.174 3.577 -3.149) 4.908 5.338 ( -10.480 3.935 -12.205) 16.561 5.622 ( -4.445 -1.412 4.099) 6.209 6.308 ( 13.587 7.098 2.865) 15.594 6.359 ( 7.370 2.475 4.014) 8.750 7.048 ( 0.577 -1.467 0.445) 1.638 7.101 ( 7.683 -0.032 3.638) 8.501 7.808 ( -12.001 -1.866 -2.431) 12.386 8.080 ( 4.230 -1.323 3.261) 5.502 8.469 ( 2.324 -0.396 2.919) 3.752 8.506 ( 5.483 1.863 -0.405) 5.804 8.906 ( -4.705 -1.473 8.731) 10.027 9.094 ( 2.977 2.251 3.623) 5.202 9.574 ( -1.522 -1.181 -16.238) 16.352 10.026 ( 7.959 -3.226 -17.838) 19.798 11.041 ( -12.488 -7.729 15.071) 21.043 11.285 ( -10.654 -0.666 -4.572) 11.613 11.408 ( -1.810 -1.058 6.546) 6.874 11.835 ( -19.723 -0.897 1.758) 19.822 12.131 ( 4.582 -1.746 -3.105) 5.803 12.601 ( -1.575 1.343 -5.375) 5.760 12.708 ( 4.943 -4.875 10.134) 12.284 13.271 ( 8.969 -4.428 -7.991) 12.803 13.837 ( 8.882 4.199 1.277) 9.907 13.898 ( 1.764 3.068 9.651) 10.279 14.573 ( 1.220 -5.063 -1.378) 5.387 14.786 ( -0.228 -0.726 -5.588) 5.640 17.910 ( -7.549 1.072 -3.634) 8.446 17.962 ( 3.456 1.387 13.292) 13.804 18.141 ( -9.208 -1.044 0.630) 9.288 19.128 ( 10.068 -8.608 -16.171) 20.904 20.902 ( -4.224 -0.962 9.710) 10.633 21.524 ( 8.265 -1.579 3.109) 8.971 21.563 ( -6.187 -0.774 12.926) 14.352 22.691 ( 1.608 -5.342 -22.688) 23.364 25.069 ( -3.470 2.591 3.516) 5.578 25.176 ( -6.328 2.873 -1.566) 7.124 25.805 ( 6.656 -3.027 -5.413) 9.098 25.821 ( 11.193 -2.527 0.809) 11.503 29.192 ( -4.790 0.188 0.012) 4.793 29.221 ( -4.475 -0.395 0.446) 4.514 29.442 ( 2.735 -0.176 -1.264) 3.019 29.517 ( 6.942 0.962 -1.026) 7.083 38.104 ( -11.594 0.260 -0.092) 11.598 38.199 ( -8.998 -0.060 0.351) 9.005 38.713 ( 8.181 0.337 0.481) 8.202 38.747 ( 8.292 0.110 -0.473) 8.306 69.655 ( -2.517 4.750 -1.903) 5.702 69.730 ( -1.542 6.893 -2.334) 7.439 71.939 ( -0.505 17.016 -11.786) 20.705 72.595 ( 31.306 25.486 7.045) 40.978 ======================= Grid point 140 (56/168) ======================= q-point: (-0.27 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -21.447 10.483 -1.688) 23.931 1.419 ( -22.750 15.688 -1.666) 27.684 2.203 ( -11.262 7.792 -13.746) 19.404 2.336 ( -18.767 -0.979 -10.727) 21.639 2.708 ( -8.957 8.696 -4.639) 13.318 2.820 ( -2.831 -1.370 11.806) 12.218 3.013 ( 7.390 -0.731 12.311) 14.378 3.207 ( -1.417 -1.410 2.538) 3.230 3.323 ( -1.372 2.931 4.165) 5.275 3.539 ( -6.892 5.439 -5.042) 10.124 3.777 ( 0.010 2.653 -9.714) 10.070 3.940 ( 12.089 3.035 16.095) 20.357 4.459 ( 3.771 -0.007 -7.590) 8.476 4.659 ( 1.026 5.105 4.386) 6.808 4.827 ( -6.703 0.248 -7.698) 10.211 5.044 ( -3.981 5.968 -15.014) 16.640 5.125 ( -5.858 2.814 6.745) 9.367 5.574 ( -6.528 -2.926 4.412) 8.405 6.484 ( 5.981 -1.159 5.483) 8.196 6.629 ( 16.130 6.915 2.276) 17.696 6.956 ( -0.565 -1.699 -5.507) 5.790 7.352 ( 10.947 -0.726 -0.811) 11.001 7.634 ( -6.772 -1.134 6.020) 9.132 8.168 ( 1.234 -2.411 3.900) 4.748 8.514 ( -0.486 1.318 2.831) 3.160 8.578 ( 4.197 3.152 -2.688) 5.898 8.877 ( -7.757 -0.452 5.964) 9.795 9.186 ( 5.094 0.245 1.050) 5.207 9.423 ( 0.654 -1.315 -11.719) 11.811 9.985 ( 7.111 -5.392 -15.227) 17.649 10.847 ( -19.773 -1.104 2.047) 19.909 11.130 ( -7.055 -3.322 0.634) 7.824 11.392 ( -9.172 1.385 1.881) 9.465 11.525 ( -16.837 -0.361 4.880) 17.533 12.177 ( 3.685 -2.027 -1.459) 4.451 12.534 ( -1.285 1.037 -2.343) 2.867 12.900 ( 6.778 -7.212 8.175) 12.837 13.311 ( 8.177 -7.489 -13.591) 17.541 13.956 ( 2.923 4.624 2.750) 6.123 14.043 ( 1.386 -0.912 9.981) 10.117 14.556 ( 1.532 -4.552 -3.988) 6.243 14.791 ( 6.885 3.981 -3.488) 8.684 17.737 ( -7.880 1.555 -4.807) 9.360 17.977 ( -11.508 0.561 2.604) 11.812 18.145 ( 3.414 0.763 10.108) 10.696 19.060 ( 5.790 -13.675 -26.696) 30.548 20.957 ( -1.319 -2.858 10.173) 10.649 21.624 ( -7.963 -3.491 24.270) 25.781 21.718 ( 8.899 -1.109 7.286) 11.555 22.519 ( 3.328 -5.192 -19.903) 20.837 25.015 ( -5.602 3.170 0.227) 6.441 25.093 ( -2.603 7.383 1.619) 7.994 25.772 ( 4.785 -3.484 -14.727) 15.872 26.076 ( 12.225 -4.719 4.481) 13.850 29.114 ( -4.386 0.065 -0.202) 4.391 29.162 ( -3.476 -0.406 0.574) 3.546 29.476 ( 2.224 -0.135 0.149) 2.233 29.616 ( 6.531 2.364 -0.859) 6.999 37.922 ( -10.400 0.166 0.198) 10.403 38.048 ( -9.008 -1.094 -0.832) 9.112 38.839 ( 6.520 0.404 0.318) 6.541 38.871 ( 7.080 -0.095 -0.307) 7.087 69.594 ( -2.964 4.804 -0.889) 5.714 69.685 ( -1.674 6.203 -1.141) 6.525 71.825 ( 1.789 17.747 -13.141) 22.155 73.276 ( 44.709 42.435 5.966) 61.929 ======================= Grid point 141 (57/168) ======================= q-point: (-0.18 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -18.986 13.804 -3.642) 23.755 1.057 ( -20.140 19.402 2.150) 28.048 1.693 ( -37.613 13.986 7.643) 40.850 2.091 ( 2.216 -0.751 -17.612) 17.766 2.596 ( -3.904 9.340 -1.145) 10.188 2.892 ( -3.382 -2.143 10.029) 10.799 2.967 ( -17.586 -0.336 5.191) 18.339 3.186 ( -5.504 -2.029 0.914) 5.937 3.463 ( 7.303 5.079 9.441) 12.971 3.511 ( 7.466 0.708 -0.545) 7.520 3.705 ( 1.844 4.660 -6.070) 7.872 4.164 ( -1.307 -2.316 -5.962) 6.528 4.336 ( -0.448 7.891 -4.028) 8.871 4.681 ( -5.299 4.384 3.474) 7.705 4.710 ( 6.363 -1.381 -14.512) 15.906 4.933 ( 1.808 3.939 -1.979) 4.765 5.112 ( -2.611 3.923 4.208) 6.317 5.498 ( -7.075 -2.977 2.747) 8.153 6.600 ( 1.821 -4.824 2.473) 5.718 6.779 ( 0.237 4.938 1.272) 5.104 7.055 ( 17.157 -0.910 -2.847) 17.415 7.370 ( 2.538 4.859 -6.070) 8.179 7.781 ( 6.909 -6.176 12.286) 15.389 8.153 ( -7.355 -5.609 -0.568) 9.267 8.517 ( 0.010 7.371 -1.735) 7.573 8.582 ( 0.820 6.418 -1.533) 6.649 8.798 ( -8.438 -0.862 7.053) 11.031 9.255 ( 3.441 0.127 -11.641) 12.140 9.340 ( 3.066 -9.455 -7.095) 12.212 9.972 ( 6.727 -4.184 -8.030) 11.280 10.538 ( -17.119 2.966 -0.149) 17.374 10.949 ( -15.271 1.610 -3.086) 15.663 11.184 ( -13.107 3.612 6.045) 14.879 11.431 ( -3.919 -2.179 0.592) 4.523 12.219 ( 2.794 -2.033 -1.145) 3.640 12.529 ( 0.398 -1.608 3.795) 4.141 13.059 ( 4.635 -10.154 0.530) 11.174 13.241 ( 1.382 -10.705 -16.207) 19.473 13.996 ( -5.085 -0.742 8.526) 9.955 14.062 ( -4.226 -1.708 0.452) 4.580 14.596 ( 6.631 -2.230 -3.080) 7.644 14.955 ( 17.541 16.281 -2.565) 24.069 17.577 ( -5.692 2.012 -4.105) 7.300 17.820 ( -9.616 1.863 1.100) 9.856 18.270 ( 0.497 0.333 7.881) 7.904 18.722 ( -8.026 -15.772 -39.716) 43.480 21.041 ( 0.276 -4.000 7.331) 8.356 21.806 ( -1.173 -10.609 24.770) 26.972 21.964 ( -0.967 -8.536 31.645) 32.790 22.417 ( 5.162 -6.597 -12.970) 15.440 24.929 ( -3.762 4.307 -0.809) 5.776 25.133 ( 4.534 14.068 5.473) 15.761 25.655 ( 0.509 -2.244 -18.051) 18.197 26.290 ( 9.050 -6.670 2.977) 11.630 29.049 ( -3.207 0.038 -0.130) 3.210 29.117 ( -2.433 -0.478 0.205) 2.488 29.524 ( 1.556 -0.953 3.615) 4.049 29.726 ( 7.417 4.487 1.053) 8.733 37.775 ( -7.801 0.046 0.432) 7.813 37.887 ( -8.503 -2.026 -2.910) 9.212 38.931 ( 4.387 0.456 0.297) 4.421 38.968 ( 5.020 -0.376 -0.273) 5.042 69.550 ( -2.437 5.100 1.145) 5.767 69.654 ( -1.239 5.409 -0.490) 5.571 71.769 ( 2.220 19.753 -0.630) 19.887 74.240 ( 72.798 75.305 0.229) 104.740 ======================= Grid point 142 (58/168) ======================= q-point: (-0.09 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -12.487 13.373 8.888) 20.341 0.845 ( -14.171 20.769 14.439) 28.994 1.317 ( -27.024 22.010 29.175) 45.452 2.010 ( 6.789 -4.608 -13.674) 15.947 2.528 ( -1.015 11.483 -5.965) 12.980 2.710 ( -14.050 -1.275 2.922) 14.407 2.945 ( -2.025 1.360 5.505) 6.021 3.070 ( -8.940 -1.779 2.669) 9.498 3.532 ( -0.308 -1.591 -6.399) 6.601 3.658 ( 5.351 2.604 0.620) 5.983 3.827 ( 11.396 7.076 8.294) 15.771 3.912 ( -6.140 2.595 -12.658) 14.306 4.302 ( -2.411 2.220 -8.561) 9.167 4.658 ( 0.244 4.450 5.559) 7.125 4.731 ( 7.383 1.382 -7.854) 10.867 4.973 ( 2.895 0.262 -0.814) 3.019 5.126 ( -0.555 3.516 3.527) 5.011 5.395 ( -7.339 -1.513 0.635) 7.520 6.601 ( 0.303 -4.723 -2.669) 5.434 6.762 ( -4.746 -0.466 2.880) 5.571 7.273 ( 11.858 1.173 -7.589) 14.127 7.463 ( 13.676 8.087 1.180) 15.932 7.868 ( -18.419 -4.218 -10.376) 21.557 7.988 ( 3.164 -9.310 9.817) 13.895 8.467 ( -2.255 9.063 -1.014) 9.394 8.654 ( 8.915 14.173 -7.656) 18.411 8.764 ( -5.212 0.796 6.226) 8.159 8.942 ( -9.571 0.430 -13.601) 16.637 9.471 ( 10.929 -9.325 2.795) 14.636 10.090 ( 5.864 -4.858 8.489) 11.404 10.329 ( -6.959 6.383 0.089) 9.444 10.650 ( -18.195 8.352 1.041) 20.047 11.069 ( -5.919 1.630 0.206) 6.143 11.364 ( -2.541 -1.307 -3.500) 4.518 12.235 ( 1.259 -1.183 -2.473) 3.017 12.627 ( -2.357 -12.272 8.676) 15.213 12.844 ( -7.134 -4.120 -17.040) 18.927 13.224 ( 1.229 -7.954 2.820) 8.528 13.938 ( -8.004 -4.083 6.905) 11.332 14.045 ( 0.214 4.213 2.472) 4.889 14.659 ( 4.690 -2.335 -3.770) 6.455 15.265 ( 24.872 24.838 -14.577) 38.053 17.484 ( -1.772 2.168 -1.647) 3.248 17.694 ( -6.007 2.704 0.349) 6.596 18.120 ( -16.735 -3.946 -17.367) 24.439 18.323 ( -2.228 0.683 2.671) 3.545 21.105 ( 0.126 -2.484 5.233) 5.794 21.934 ( 4.428 -2.154 -6.696) 8.311 22.301 ( -16.733 -46.530 53.927) 73.165 22.484 ( 5.471 -13.699 8.496) 17.023 24.881 ( -1.436 5.350 -0.390) 5.553 25.295 ( 4.030 14.364 -16.751) 22.431 25.595 ( 13.279 -1.314 18.118) 22.501 26.422 ( 4.106 -7.889 1.696) 9.054 29.009 ( -1.614 0.044 0.104) 1.618 29.085 ( -1.376 -0.478 -0.471) 1.531 29.600 ( 0.889 -3.758 7.112) 8.093 29.899 ( 9.500 0.771 3.945) 10.315 37.681 ( -4.030 0.112 0.579) 4.073 37.722 ( -6.836 -0.223 -2.544) 7.297 38.988 ( 2.144 0.424 0.357) 2.215 39.028 ( 2.628 -0.542 -0.319) 2.702 69.532 ( -1.917 4.840 1.581) 5.441 69.631 ( -0.897 4.716 -0.735) 4.857 72.007 ( 8.672 9.902 33.440) 35.938 75.660 ( 111.488 92.046 -45.451) 151.552 ======================= Grid point 143 (59/168) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 7.248 20.751 0.967) 22.001 1.279 ( 0.861 16.975 15.834) 23.230 1.734 ( 1.631 7.547 7.487) 10.755 2.065 ( 4.324 10.164 9.541) 14.596 2.431 ( -8.328 -1.717 -6.197) 10.521 2.670 ( -3.998 4.470 1.584) 6.203 2.947 ( -5.187 2.876 -2.053) 6.276 3.009 ( 3.615 -0.598 2.471) 4.420 3.437 ( 2.508 -5.897 -6.012) 8.787 3.610 ( -1.142 2.943 -9.670) 10.172 3.900 ( -2.195 8.059 -4.186) 9.342 4.164 ( -0.523 0.792 -2.467) 2.643 4.424 ( 12.084 11.527 5.861) 17.698 4.673 ( 2.301 -7.513 1.949) 8.095 4.889 ( -2.510 8.250 1.825) 8.814 5.034 ( 1.501 6.637 -4.082) 7.935 5.278 ( 0.146 9.337 5.359) 10.766 5.304 ( -2.624 0.847 0.824) 2.878 6.444 ( -0.153 -8.476 -1.409) 8.594 6.728 ( 0.220 0.269 1.193) 1.243 7.340 ( 1.178 0.887 -7.625) 7.767 7.519 ( -9.422 1.048 -11.447) 14.863 7.748 ( 5.860 -2.627 5.461) 8.430 7.965 ( 0.199 -0.749 5.484) 5.538 8.569 ( -2.561 4.070 -0.721) 4.863 8.708 ( -1.506 3.622 -4.576) 6.027 8.848 ( 1.182 6.558 3.050) 7.329 9.042 ( 9.110 -2.269 -1.612) 9.526 9.533 ( 10.363 -7.343 5.113) 13.692 9.858 ( -10.785 -9.880 7.259) 16.329 10.575 ( 1.563 8.814 0.615) 8.973 10.817 ( 4.275 19.028 0.494) 19.509 11.052 ( -0.581 2.216 -3.442) 4.134 11.270 ( -2.687 1.305 -3.633) 4.703 12.213 ( 0.139 0.385 -1.494) 1.549 12.417 ( -4.420 0.560 0.450) 4.478 12.811 ( 8.629 -9.100 2.378) 12.764 12.986 ( -3.576 -15.449 1.036) 15.891 13.894 ( -1.014 -0.872 4.076) 4.290 14.163 ( 0.745 3.541 1.586) 3.950 14.651 ( 2.270 -2.397 2.265) 4.003 15.407 ( -4.256 -1.792 -17.664) 18.257 17.567 ( 2.793 5.177 -0.190) 5.885 17.739 ( -1.381 6.325 -1.310) 6.605 18.080 ( 13.093 -3.517 5.273) 14.547 18.293 ( -2.857 0.065 -1.661) 3.306 21.138 ( 1.032 -0.588 5.346) 5.477 21.716 ( -20.922 -17.965 28.206) 39.447 21.837 ( -0.310 -4.216 -6.799) 8.006 22.402 ( 7.914 -13.962 4.972) 16.801 25.014 ( 0.269 7.938 0.830) 7.986 25.293 ( -3.087 7.566 -9.360) 12.425 25.825 ( 7.192 -10.626 11.814) 17.441 26.236 ( -1.378 -12.759 -0.829) 12.860 29.001 ( 0.144 0.118 0.371) 0.415 29.054 ( -0.183 -0.644 -0.757) 1.011 29.617 ( -0.827 -1.169 5.502) 5.685 29.911 ( -0.665 -2.939 -1.888) 3.556 37.654 ( -0.475 0.266 0.404) 0.678 37.687 ( 1.346 0.272 0.099) 1.377 39.017 ( -0.062 0.457 0.179) 0.494 39.033 ( 0.054 -0.777 -0.157) 0.795 69.650 ( -0.510 8.005 1.093) 8.095 69.729 ( -0.341 6.901 -0.308) 6.917 72.819 ( 2.564 27.531 34.731) 44.393 76.509 ( -3.048 3.394 -68.956) 69.107 ======================= Grid point 144 (60/168) ======================= q-point: ( 0.09 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 15.807 18.207 5.054) 24.635 1.591 ( 11.989 10.326 20.076) 25.562 1.900 ( 13.051 -0.893 -3.047) 13.432 2.238 ( 2.822 9.153 8.783) 12.996 2.286 ( 1.177 -0.936 -6.152) 6.333 2.650 ( 0.961 0.856 0.154) 1.296 2.893 ( 0.851 5.957 0.531) 6.041 3.091 ( 2.220 -0.786 2.110) 3.163 3.413 ( -0.103 -5.879 -3.568) 6.877 3.565 ( 5.733 7.572 -4.737) 10.613 3.787 ( -3.222 11.068 -7.819) 13.929 4.056 ( -3.642 2.624 -6.521) 7.917 4.665 ( -5.250 -5.088 2.263) 7.653 4.725 ( 10.795 4.069 2.993) 11.918 4.820 ( -5.183 9.373 -0.117) 10.711 5.028 ( 2.063 7.253 -1.653) 7.720 5.295 ( 1.525 3.383 1.106) 3.872 5.376 ( 4.235 6.766 6.138) 10.069 6.446 ( -0.548 -5.406 1.832) 5.734 6.745 ( 3.679 1.118 -4.363) 5.815 7.249 ( -9.542 -0.447 -3.234) 10.085 7.299 ( -0.408 0.679 -7.040) 7.085 7.816 ( -6.292 -1.926 3.752) 7.575 8.007 ( 3.220 -0.513 1.380) 3.541 8.488 ( -4.571 3.998 -2.671) 6.634 8.678 ( 1.877 6.322 -0.787) 6.642 8.901 ( -0.249 3.372 1.844) 3.851 9.166 ( 8.492 -6.513 -2.121) 10.910 9.697 ( -10.825 -10.119 0.154) 14.819 9.768 ( 7.315 -6.740 9.084) 13.470 10.638 ( 8.271 11.074 -1.746) 13.931 10.953 ( 10.518 8.488 -5.949) 14.767 11.039 ( -0.373 2.013 3.662) 4.196 11.212 ( 1.188 4.602 -2.266) 5.265 12.202 ( -0.390 0.626 -0.328) 0.807 12.389 ( 1.842 2.298 -2.199) 3.676 12.852 ( -8.379 -14.838 -0.158) 17.041 13.031 ( 9.368 -12.284 0.956) 15.478 13.924 ( -0.805 -0.063 4.360) 4.434 14.204 ( 2.600 -0.292 0.876) 2.759 14.688 ( -3.047 1.620 4.545) 5.707 15.111 ( -9.795 -0.498 -12.050) 15.537 17.642 ( 4.304 4.766 1.080) 6.512 17.713 ( 2.405 5.261 -2.720) 6.392 18.161 ( -4.995 -0.329 -3.213) 5.948 18.459 ( 20.961 -8.621 -0.817) 22.679 21.191 ( -2.085 0.596 6.598) 6.945 21.612 ( -13.312 -10.010 10.287) 19.577 21.749 ( -8.987 -8.634 3.618) 12.977 22.598 ( 8.138 -15.762 7.079) 19.099 25.032 ( 0.521 7.952 1.067) 8.040 25.181 ( -1.237 9.018 -5.276) 10.521 25.992 ( 0.436 -13.556 8.283) 15.892 26.156 ( -5.868 -12.241 -2.898) 13.880 29.022 ( 1.723 0.042 0.574) 1.816 29.053 ( 1.223 -0.379 -0.937) 1.587 29.641 ( -3.089 -1.526 5.501) 6.491 29.847 ( -4.090 -1.722 -1.856) 4.811 37.686 ( 3.849 0.492 0.426) 3.903 37.748 ( 5.876 -0.815 -0.501) 5.953 38.998 ( -2.449 0.331 0.147) 2.475 39.014 ( -2.109 -0.542 -0.124) 2.181 69.674 ( 1.811 8.214 1.693) 8.580 69.736 ( 1.660 6.988 -0.443) 7.196 73.163 ( -8.005 23.796 40.134) 47.340 75.385 ( -44.359 22.365 -58.521) 76.764 ======================= Grid point 145 (61/168) ======================= q-point: ( 0.18 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 14.978 15.746 4.899) 22.277 1.917 ( 7.345 6.093 4.988) 10.769 1.984 ( 4.796 2.422 -5.662) 7.805 2.286 ( -0.316 -4.861 4.559) 6.672 2.456 ( 18.844 -0.693 -2.570) 19.031 2.727 ( 9.015 0.915 -0.472) 9.074 2.981 ( 6.384 8.857 1.387) 11.006 3.137 ( 0.068 3.885 7.405) 8.363 3.357 ( -3.342 -7.031 -2.046) 8.049 3.597 ( 4.749 5.251 -11.143) 13.203 3.770 ( 4.975 9.621 3.343) 11.336 3.965 ( -0.494 6.241 -1.064) 6.350 4.477 ( -10.664 0.685 -8.132) 13.428 4.682 ( -5.375 10.073 -4.288) 12.196 4.895 ( 2.763 2.112 0.532) 3.518 5.095 ( 5.504 2.432 2.853) 6.659 5.375 ( 5.646 9.016 2.586) 10.948 5.537 ( 7.993 4.903 5.627) 10.935 6.426 ( -3.121 1.557 0.013) 3.488 6.799 ( 7.461 -2.872 -3.036) 8.552 7.019 ( -14.168 5.395 -0.115) 15.160 7.285 ( -0.881 -2.918 -2.950) 4.242 7.694 ( -7.041 0.929 2.334) 7.476 8.063 ( 1.256 -3.267 0.340) 3.516 8.402 ( -3.741 2.542 -0.617) 4.564 8.722 ( 2.308 5.110 1.020) 5.699 8.858 ( -4.689 2.584 -1.884) 5.676 9.246 ( 0.228 -4.297 -0.219) 4.308 9.548 ( 2.101 -11.999 -9.407) 15.391 9.947 ( 1.127 -5.097 10.910) 12.094 10.810 ( 14.973 6.179 -3.262) 16.523 11.010 ( 4.980 2.582 -3.238) 6.477 11.046 ( 1.105 -0.039 -4.576) 4.708 11.342 ( 9.627 8.013 6.836) 14.269 12.195 ( -0.563 0.907 0.620) 1.235 12.409 ( 3.581 0.039 -4.526) 5.771 12.682 ( -9.510 -11.620 -1.515) 15.091 13.154 ( 5.115 -10.642 -1.045) 11.853 13.949 ( -1.272 1.665 3.755) 4.300 14.248 ( 1.143 -2.625 0.478) 2.902 14.606 ( -8.690 3.849 0.315) 9.509 14.932 ( -4.562 -0.939 -0.978) 4.759 17.670 ( 3.106 3.223 -5.401) 7.014 17.806 ( 6.649 4.228 2.484) 8.262 18.057 ( -2.411 -0.122 -2.884) 3.761 18.731 ( 15.941 -9.194 -5.945) 19.339 21.189 ( -7.887 0.868 9.169) 12.125 21.504 ( -5.533 -4.088 -1.295) 7.001 21.637 ( -10.779 -9.165 8.152) 16.329 22.789 ( 6.527 -17.471 6.487) 19.746 25.037 ( -0.139 7.284 -0.976) 7.351 25.160 ( 2.025 7.615 -0.399) 7.890 25.942 ( -8.969 -8.104 -4.896) 13.042 26.067 ( -4.541 -13.037 4.521) 14.526 29.066 ( 2.924 -0.141 0.311) 2.944 29.078 ( 2.820 -0.112 -0.498) 2.866 29.622 ( -4.707 -0.783 3.725) 6.053 29.756 ( -5.407 -1.671 -0.753) 5.710 37.786 ( 7.800 0.722 0.437) 7.845 37.859 ( 8.523 -0.689 -1.143) 8.627 38.940 ( -4.791 0.224 0.058) 4.797 38.961 ( -4.262 -0.132 -0.036) 4.264 69.734 ( 2.987 8.232 1.796) 8.939 69.779 ( 4.026 7.448 -0.205) 8.469 73.312 ( -20.168 24.362 35.774) 47.750 74.144 ( -44.867 27.794 -39.637) 66.004 ======================= Grid point 146 (62/168) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 9.389 9.577 -9.892) 16.665 1.959 ( -11.093 9.012 18.027) 23.005 2.022 ( 14.319 0.322 -12.107) 18.755 2.333 ( 4.868 -0.114 -9.014) 10.245 2.702 ( 10.788 -1.532 0.516) 10.909 2.859 ( 3.276 -0.733 5.265) 6.245 3.151 ( 12.140 4.694 3.275) 13.421 3.217 ( 1.771 -1.388 -1.362) 2.630 3.304 ( -3.674 -1.196 4.166) 5.682 3.608 ( 5.024 4.475 4.149) 7.904 3.849 ( 6.358 8.128 -7.301) 12.641 4.069 ( 5.807 5.153 7.136) 10.544 4.221 ( -8.780 2.634 -9.716) 13.358 4.575 ( 0.318 13.917 -5.732) 15.054 4.892 ( -2.374 2.230 0.468) 3.290 5.226 ( 7.069 -1.457 1.365) 7.346 5.511 ( 7.513 12.771 1.939) 14.943 5.734 ( 10.487 5.171 2.626) 11.984 6.377 ( -2.110 3.949 0.546) 4.510 6.745 ( -13.128 5.703 -0.954) 14.345 6.925 ( 0.948 3.997 -0.890) 4.203 7.135 ( -10.189 -0.135 -1.189) 10.259 7.733 ( 4.710 -5.198 5.766) 9.080 8.050 ( -1.664 -4.979 -1.530) 5.468 8.350 ( -2.896 1.880 1.056) 3.611 8.723 ( -4.716 3.399 -6.099) 8.426 8.761 ( -2.195 2.803 4.037) 5.383 9.162 ( -6.685 -0.520 -0.929) 6.769 9.598 ( 13.213 -15.497 -11.263) 23.272 10.018 ( -2.288 -4.488 6.493) 8.218 10.944 ( 1.206 -0.138 -3.325) 3.540 11.077 ( 5.226 4.607 1.860) 7.211 11.126 ( 16.515 0.737 -4.196) 17.056 11.571 ( 9.763 1.389 5.201) 11.149 12.196 ( -1.140 1.317 1.709) 2.440 12.365 ( -2.600 -7.143 -5.100) 9.154 12.588 ( 0.062 -2.952 -0.211) 2.960 13.185 ( 0.969 -7.165 -1.736) 7.435 13.940 ( -3.813 2.805 1.581) 4.991 14.214 ( -7.160 1.620 2.313) 7.697 14.510 ( -0.563 -0.327 -1.972) 2.077 14.877 ( -3.745 -0.698 1.752) 4.193 17.650 ( 1.549 2.777 -5.731) 6.555 17.933 ( 6.105 2.651 1.945) 6.934 18.062 ( 3.650 -0.769 1.171) 3.909 18.872 ( 10.548 -7.796 -8.410) 15.581 21.124 ( -11.647 0.237 10.785) 15.876 21.399 ( -2.535 -1.510 -6.016) 6.700 21.575 ( -7.332 -6.736 8.706) 13.227 22.925 ( 4.220 -18.612 2.420) 19.237 25.020 ( -0.088 5.241 -1.450) 5.439 25.220 ( 3.862 5.866 1.806) 7.251 25.720 ( -9.181 -3.221 -7.254) 12.136 26.018 ( -6.434 -10.545 3.182) 12.756 29.122 ( 4.229 -0.180 -0.320) 4.245 29.134 ( 3.795 -0.105 0.335) 3.811 29.568 ( -4.898 -0.167 1.498) 5.124 29.651 ( -6.802 -1.583 -0.193) 6.986 37.943 ( 10.519 0.776 0.435) 10.556 38.003 ( 10.310 0.076 -1.073) 10.366 38.844 ( -6.961 0.337 0.002) 6.970 38.875 ( -6.316 0.128 0.021) 6.317 69.802 ( 3.425 8.379 1.421) 9.163 69.853 ( 4.870 7.987 -0.460) 9.366 73.171 ( -32.693 27.298 -24.397) 49.084 73.228 ( -26.801 25.885 23.523) 44.064 ======================= Grid point 147 (63/168) ======================= q-point: ( 0.36 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -3.153 3.261 -1.513) 4.781 2.033 ( 4.598 7.204 2.751) 8.979 2.172 ( 13.948 0.917 -6.256) 15.314 2.299 ( 2.985 6.533 -1.495) 7.337 2.822 ( 4.054 -2.030 -0.712) 4.589 2.957 ( -4.818 5.657 4.980) 8.945 3.108 ( -3.027 -6.647 3.131) 7.947 3.240 ( -5.131 0.142 3.070) 5.981 3.503 ( 15.974 4.126 6.292) 17.658 3.791 ( -2.389 5.489 -13.463) 14.734 3.810 ( 6.399 3.404 6.186) 9.529 4.022 ( 1.194 1.637 -8.918) 9.146 4.210 ( 2.695 4.392 3.097) 6.012 4.608 ( 5.619 13.490 0.060) 14.614 4.857 ( -2.135 1.926 1.300) 3.156 5.344 ( 5.644 -1.946 1.301) 6.110 5.631 ( 6.915 14.325 -3.100) 16.206 5.904 ( 10.529 6.433 -4.695) 13.202 6.396 ( 0.015 4.519 6.975) 8.311 6.520 ( -13.187 13.546 0.684) 18.917 6.744 ( -11.531 4.714 -7.875) 14.738 7.121 ( 0.760 -0.387 6.046) 6.105 7.847 ( 1.205 -8.343 1.776) 8.615 8.016 ( 0.681 -6.258 0.185) 6.298 8.333 ( -1.947 1.703 3.462) 4.321 8.574 ( -5.272 1.946 -5.050) 7.556 8.772 ( -2.110 1.450 4.791) 5.432 9.066 ( -3.771 2.023 -0.332) 4.292 9.685 ( 10.752 -15.103 -12.229) 22.209 10.029 ( -0.844 -5.663 1.736) 5.983 10.902 ( -0.719 0.006 -3.469) 3.543 11.188 ( 2.893 3.099 6.927) 8.121 11.366 ( 12.907 -1.083 -1.302) 13.018 11.748 ( 10.586 -6.709 -2.651) 12.811 12.151 ( -6.490 -2.081 3.288) 7.568 12.344 ( 3.375 -1.862 0.683) 3.914 12.622 ( 2.395 -2.139 0.633) 3.273 13.168 ( -0.469 -3.874 -1.960) 4.367 13.845 ( -6.915 2.441 -1.617) 7.509 14.106 ( -8.996 6.632 4.133) 11.916 14.515 ( 2.236 -0.769 -1.795) 2.968 14.837 ( -1.631 -3.609 -0.839) 4.048 17.635 ( 1.674 3.676 -1.145) 4.198 18.047 ( 5.132 1.355 1.621) 5.550 18.149 ( 3.275 -2.252 2.837) 4.883 18.928 ( 7.616 -6.881 -9.476) 13.970 21.036 ( -11.526 0.034 10.256) 15.428 21.318 ( -0.407 -1.255 -4.722) 4.902 21.553 ( -5.131 -3.642 6.864) 9.312 22.961 ( 1.809 -18.135 -5.397) 19.007 25.014 ( 0.312 3.163 0.253) 3.189 25.312 ( 4.879 4.131 2.071) 6.720 25.532 ( -5.776 0.617 -5.215) 7.806 25.926 ( -6.702 -7.829 0.576) 10.321 29.200 ( 5.033 -0.155 -0.041) 5.036 29.201 ( 4.347 -0.161 0.207) 4.355 29.494 ( -4.824 -0.357 -0.583) 4.873 29.536 ( -6.942 -0.619 0.317) 6.977 38.126 ( 11.239 0.614 -0.026) 11.256 38.172 ( 10.955 0.903 -0.195) 10.994 38.714 ( -8.702 0.588 -0.060) 8.722 38.758 ( -7.754 0.137 0.085) 7.755 69.868 ( 3.032 9.060 0.412) 9.563 69.915 ( 3.598 8.009 -1.441) 8.898 72.562 ( -16.493 26.623 -14.281) 34.420 72.994 ( -24.143 26.759 13.496) 38.484 ======================= Grid point 148 (64/168) ======================= q-point: ( 0.45 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -1.343 -0.760 9.665) 9.787 2.156 ( 5.445 9.553 5.542) 12.314 2.353 ( 15.449 -1.945 -4.633) 16.246 2.438 ( 4.510 5.536 12.189) 14.127 2.773 ( -8.930 4.490 -7.068) 12.242 2.838 ( -0.122 2.305 -2.497) 3.400 3.118 ( -5.150 2.607 5.923) 8.271 3.272 ( -0.832 -1.503 10.028) 10.174 3.499 ( -9.818 7.578 -18.281) 22.091 3.788 ( 11.531 2.036 4.763) 12.641 3.863 ( 1.579 -3.962 -5.582) 7.024 4.120 ( 7.454 3.068 4.387) 9.177 4.197 ( -3.166 5.848 -5.372) 8.549 4.686 ( -0.343 9.557 4.730) 10.669 4.882 ( 3.422 2.823 2.768) 5.229 5.424 ( 1.911 -2.246 1.272) 3.211 5.639 ( 0.835 11.434 -9.669) 14.998 5.957 ( 5.034 8.507 -11.492) 15.158 6.352 ( -4.672 16.225 -1.111) 16.921 6.423 ( -8.468 7.875 3.262) 12.015 6.622 ( 3.924 2.172 5.347) 6.979 7.181 ( -1.301 -0.323 4.758) 4.943 7.820 ( -0.267 -7.572 -2.868) 8.102 8.062 ( -0.279 -6.153 3.099) 6.895 8.352 ( -0.938 1.354 5.288) 5.539 8.472 ( -1.340 2.236 -3.852) 4.651 8.790 ( -2.551 -1.511 6.466) 7.113 9.045 ( -0.103 3.921 2.612) 4.713 9.698 ( 5.781 -11.823 -12.117) 17.890 10.027 ( 2.643 -6.718 -5.662) 9.175 10.869 ( -2.259 -1.765 2.146) 3.581 11.296 ( 1.586 1.034 6.579) 6.847 11.470 ( 0.435 -4.376 0.445) 4.420 11.882 ( 13.390 -8.559 -10.055) 18.806 12.103 ( -6.186 -2.220 7.347) 9.858 12.426 ( 1.859 -0.076 5.029) 5.362 12.661 ( 0.541 -2.829 2.153) 3.595 13.138 ( 0.008 -2.830 -2.958) 4.094 13.737 ( -1.983 2.685 -2.812) 4.365 14.010 ( -6.945 8.649 3.520) 11.637 14.529 ( 1.011 0.250 -1.223) 1.606 14.803 ( 0.058 -6.430 -3.732) 7.435 17.694 ( 3.045 4.068 5.162) 7.243 18.109 ( 0.750 2.019 0.200) 2.163 18.205 ( -0.342 -4.029 3.353) 5.253 18.947 ( 6.905 -7.103 -10.095) 14.143 20.958 ( -9.411 0.281 8.724) 12.835 21.300 ( 2.637 -1.175 -2.478) 3.804 21.540 ( -4.585 -1.972 6.544) 8.230 22.880 ( 0.313 -15.512 -13.846) 20.795 25.042 ( 0.958 1.920 3.212) 3.863 25.408 ( 1.700 4.385 -1.874) 5.063 25.435 ( 0.644 -0.416 1.575) 1.751 25.825 ( -4.145 -5.421 -2.130) 7.149 29.257 ( 2.206 -0.036 0.438) 2.249 29.300 ( 6.545 -0.197 -0.096) 6.549 29.396 ( -5.745 -0.434 -1.026) 5.852 29.446 ( -3.946 -0.055 -0.208) 3.952 38.293 ( 8.424 0.862 -0.284) 8.472 38.335 ( 7.126 1.111 0.336) 7.220 38.573 ( -7.045 0.980 0.141) 7.114 38.636 ( -6.258 -0.309 -0.054) 6.266 69.892 ( 0.323 9.372 -1.580) 9.509 69.943 ( 2.011 8.425 -1.904) 8.869 72.364 ( 2.531 26.469 -2.500) 26.707 72.740 ( -16.244 26.511 3.024) 31.239 ======================= Grid point 149 (65/168) ======================= q-point: (-0.45 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -3.056 -1.030 13.788) 14.160 2.269 ( -2.690 13.141 12.237) 18.157 2.413 ( -8.388 2.821 -5.516) 10.428 2.608 ( 7.101 -2.113 0.964) 7.471 2.676 ( 1.002 3.240 0.787) 3.481 2.920 ( 13.026 3.672 7.268) 15.362 3.086 ( -6.646 -2.692 2.277) 7.523 3.164 ( -3.905 16.951 -13.405) 21.961 3.361 ( -0.544 -0.965 5.620) 5.728 3.743 ( -10.811 -2.768 -4.858) 12.172 3.954 ( 5.761 -0.787 -1.842) 6.100 4.039 ( -3.763 8.202 -10.918) 14.164 4.272 ( 3.738 3.288 7.710) 9.178 4.699 ( -1.882 9.620 3.217) 10.317 5.000 ( 3.299 2.110 7.569) 8.522 5.393 ( -4.726 3.961 -6.515) 8.971 5.503 ( -4.137 -0.576 -6.234) 7.504 5.841 ( -3.841 9.895 -11.629) 15.745 6.345 ( -1.570 4.918 0.721) 5.213 6.366 ( 6.299 16.851 0.045) 17.990 6.826 ( 9.675 1.996 8.982) 13.352 7.147 ( -4.899 -1.487 -0.900) 5.199 7.817 ( -1.414 -7.454 1.644) 7.763 8.040 ( -1.981 -2.616 -0.716) 3.358 8.407 ( 0.133 1.239 6.516) 6.634 8.466 ( 4.217 2.597 -2.109) 5.383 8.823 ( -1.407 -2.516 7.035) 7.603 9.097 ( 1.008 4.607 5.167) 6.996 9.638 ( 1.598 -8.047 -12.077) 14.600 9.997 ( 4.897 -5.925 -12.758) 14.895 10.871 ( -4.328 -5.432 8.690) 11.125 11.355 ( -0.614 -0.425 3.076) 3.165 11.423 ( -4.970 -4.738 -0.673) 6.900 11.961 ( 3.880 -7.243 -7.199) 10.924 12.059 ( -5.547 -0.852 5.541) 7.887 12.495 ( -1.184 -2.757 8.518) 9.031 12.673 ( -1.433 -1.128 0.679) 1.946 13.126 ( 2.894 -4.975 -3.456) 6.714 13.754 ( 6.796 3.380 -1.631) 7.764 13.969 ( -1.788 8.111 3.111) 8.869 14.521 ( -0.267 -0.864 -1.589) 1.828 14.762 ( 0.350 -6.467 -4.995) 8.179 17.828 ( 3.705 3.481 10.043) 11.257 18.070 ( -4.311 2.208 -1.833) 5.179 18.197 ( -4.558 -3.249 2.872) 6.292 18.954 ( 6.447 -8.733 -11.062) 15.498 20.906 ( -6.418 0.582 7.220) 9.678 21.357 ( 6.023 -1.399 -0.345) 6.192 21.533 ( -5.111 -1.415 8.212) 9.776 22.718 ( 0.391 -12.253 -18.695) 22.356 25.096 ( 0.293 2.131 4.806) 5.266 25.334 ( -4.180 2.442 -2.203) 5.319 25.565 ( 7.808 -0.829 3.771) 8.711 25.760 ( 0.467 -4.290 -4.906) 6.534 29.262 ( -2.666 0.251 0.665) 2.759 29.292 ( -5.472 -0.560 -0.413) 5.516 29.413 ( 2.599 -0.311 -1.183) 2.873 29.416 ( 5.729 0.354 -0.268) 5.746 38.297 ( -9.457 0.798 -0.251) 9.494 38.334 ( -5.265 1.003 0.351) 5.371 38.587 ( 6.580 0.750 0.559) 6.647 38.625 ( 6.319 -0.122 -0.411) 6.334 69.855 ( -2.207 9.029 -2.020) 9.512 69.938 ( -0.214 9.206 -2.298) 9.491 72.520 ( -2.568 26.691 -3.675) 27.065 72.600 ( 16.860 26.986 4.514) 32.139 ======================= Grid point 150 (66/168) ======================= q-point: (-0.36 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -11.781 8.357 4.048) 15.001 2.082 ( -20.065 11.794 -1.416) 23.317 2.425 ( 0.027 -0.426 8.513) 8.524 2.561 ( -4.922 6.619 -3.347) 8.901 2.771 ( 2.786 -0.464 2.252) 3.612 2.899 ( 0.075 3.456 -10.183) 10.754 3.107 ( 3.655 2.932 1.999) 5.094 3.257 ( -15.519 1.500 -8.336) 17.680 3.318 ( 1.855 3.467 17.380) 17.819 3.607 ( 6.452 5.972 4.402) 9.832 3.888 ( -3.880 6.313 -5.252) 9.082 3.945 ( -1.024 0.914 -7.223) 7.352 4.389 ( 1.964 0.671 5.915) 6.269 4.713 ( 0.787 8.575 1.737) 8.784 5.081 ( -4.571 2.392 4.381) 6.768 5.210 ( -2.576 7.181 -8.184) 11.189 5.367 ( -7.109 -1.850 -5.897) 9.420 5.666 ( -7.025 7.394 -3.480) 10.777 6.366 ( 2.443 0.270 1.274) 2.768 6.538 ( 13.460 13.267 0.472) 18.906 7.038 ( -4.257 0.088 -2.789) 5.090 7.089 ( 12.176 -0.259 5.870) 13.520 7.722 ( -9.850 -6.620 -0.453) 11.877 8.060 ( 2.830 -1.561 1.990) 3.796 8.478 ( 1.042 1.989 6.069) 6.471 8.548 ( 6.611 2.258 -1.012) 7.059 8.871 ( -1.808 -1.928 6.688) 7.191 9.165 ( 1.228 5.057 4.700) 7.012 9.514 ( -1.505 -5.600 -12.716) 13.976 9.938 ( 5.011 -5.219 -15.231) 16.862 10.876 ( -7.520 -7.423 9.985) 14.538 11.281 ( -6.381 0.331 -4.570) 7.856 11.376 ( -2.214 -2.416 3.285) 4.640 11.808 ( -15.880 -2.180 2.160) 16.174 12.090 ( 4.242 -2.089 -2.120) 5.182 12.579 ( 0.643 -7.264 10.051) 12.418 12.622 ( -3.276 0.054 -2.141) 3.914 13.154 ( 4.803 -7.194 -5.191) 10.088 13.902 ( 9.538 2.453 1.791) 10.010 14.003 ( 1.356 6.652 3.455) 7.618 14.493 ( 0.102 -2.737 -3.075) 4.118 14.735 ( 2.700 -4.122 -3.611) 6.109 17.946 ( -7.079 2.612 -3.554) 8.341 17.998 ( 2.693 2.242 12.661) 13.137 18.119 ( -7.054 -1.081 1.313) 7.256 18.920 ( 3.624 -11.748 -13.866) 18.531 20.893 ( -3.333 0.428 6.323) 7.161 21.482 ( 8.305 -3.097 0.230) 8.867 21.542 ( -6.122 -0.750 13.401) 14.752 22.539 ( 1.169 -9.920 -19.479) 21.891 25.133 ( -1.711 3.720 4.008) 5.730 25.245 ( -3.583 3.741 -1.291) 5.338 25.731 ( 2.977 -4.377 -7.364) 9.069 25.752 ( 9.921 -4.202 3.816) 11.430 29.195 ( -5.067 0.136 -0.017) 5.069 29.212 ( -4.307 -0.476 0.337) 4.347 29.440 ( 3.031 0.041 -1.273) 3.288 29.534 ( 7.378 0.639 -0.116) 7.406 38.114 ( -11.594 0.763 -0.226) 11.621 38.199 ( -10.113 0.077 0.287) 10.117 38.719 ( 8.332 0.213 0.028) 8.335 38.754 ( 8.047 0.543 -0.005) 8.065 69.793 ( -3.202 8.783 -1.227) 9.429 69.894 ( -2.365 9.170 -1.892) 9.657 72.393 ( -0.173 27.883 -10.570) 29.819 73.174 ( 39.827 30.045 10.130) 50.907 ======================= Grid point 151 (67/168) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -13.273 15.687 -6.327) 21.501 1.737 ( -19.008 15.481 -1.109) 24.540 2.314 ( -5.991 2.215 -12.276) 13.839 2.420 ( -20.274 9.508 2.280) 22.509 2.763 ( -6.260 -0.119 8.255) 10.361 2.919 ( -4.578 6.937 -4.740) 9.569 2.959 ( 0.594 -3.750 4.148) 5.624 3.215 ( -1.611 1.866 7.727) 8.110 3.382 ( -1.261 3.061 6.371) 7.179 3.670 ( -2.232 7.191 -8.250) 11.169 3.841 ( -0.838 3.639 -7.059) 7.986 3.984 ( 8.689 1.512 11.987) 14.882 4.445 ( 2.903 -3.340 -3.169) 5.443 4.741 ( 0.221 4.235 0.240) 4.248 4.918 ( -6.058 7.614 -9.062) 13.297 5.182 ( -1.846 7.502 -6.382) 10.021 5.204 ( -5.451 5.206 5.176) 9.143 5.541 ( -7.805 1.783 1.918) 8.232 6.430 ( 2.215 -5.004 2.638) 6.075 6.788 ( 15.024 8.726 0.737) 17.390 6.957 ( -1.436 2.091 -2.711) 3.713 7.334 ( 12.530 -0.826 -0.002) 12.557 7.578 ( -6.580 -4.380 3.722) 8.737 8.111 ( -0.207 -3.659 1.965) 4.159 8.566 ( 2.997 3.992 5.457) 7.396 8.633 ( 4.423 2.174 -0.961) 5.021 8.869 ( -4.925 -0.384 3.085) 5.824 9.225 ( 1.780 3.842 1.260) 4.418 9.352 ( -2.632 -6.096 -12.130) 13.829 9.870 ( 3.358 -5.360 -10.961) 12.655 10.791 ( -11.341 -3.375 3.812) 12.432 11.142 ( -3.989 4.148 -4.587) 7.359 11.381 ( -1.930 -1.959 4.162) 4.988 11.540 ( -19.424 1.432 3.546) 19.797 12.128 ( 3.384 -2.754 -2.408) 4.983 12.546 ( -3.125 -0.187 -1.895) 3.660 12.712 ( 3.564 -11.380 8.775) 14.806 13.149 ( 2.022 -8.591 -8.506) 12.257 13.989 ( -3.923 -1.013 5.478) 6.813 14.096 ( 5.647 5.971 0.598) 8.240 14.485 ( 3.975 -3.162 -4.396) 6.717 14.828 ( 11.274 -0.140 1.546) 11.381 17.784 ( -7.230 3.298 -4.560) 9.162 17.995 ( -9.278 1.311 2.768) 9.770 18.165 ( 2.898 1.120 9.602) 10.092 18.769 ( -2.966 -14.438 -18.930) 23.991 20.922 ( -0.768 -0.417 5.970) 6.034 21.546 ( -6.150 -4.636 13.842) 15.840 21.681 ( 7.167 -2.143 7.820) 10.822 22.377 ( 1.620 -8.939 -17.656) 19.856 25.096 ( -3.953 4.867 -0.313) 6.278 25.238 ( 1.113 6.547 3.483) 7.499 25.691 ( 2.555 -4.395 -10.192) 11.390 25.952 ( 9.622 -7.507 3.275) 12.636 29.115 ( -4.442 0.056 -0.181) 4.446 29.151 ( -3.521 -0.599 0.393) 3.593 29.478 ( 2.627 0.421 -0.323) 2.680 29.654 ( 7.388 1.143 0.005) 7.476 37.930 ( -10.478 0.629 0.022) 10.497 38.029 ( -10.283 -0.681 -0.441) 10.315 38.845 ( 6.847 0.178 0.034) 6.849 38.873 ( 6.407 0.331 -0.018) 6.415 69.731 ( -3.333 8.626 -0.126) 9.248 69.834 ( -3.043 8.519 -0.659) 9.071 72.311 ( 3.079 30.544 -10.529) 32.455 74.092 ( 60.505 34.693 9.632) 70.408 ======================= Grid point 152 (68/168) ======================= q-point: (-0.18 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -11.526 19.170 -10.095) 24.541 1.474 ( -12.345 22.089 -0.446) 25.309 2.001 ( -30.379 14.505 8.041) 34.612 2.100 ( -4.868 2.592 -11.246) 12.526 2.750 ( -4.906 4.199 6.980) 9.509 2.863 ( -6.749 -2.279 3.988) 8.164 2.936 ( -7.939 0.151 3.165) 8.548 3.181 ( -4.713 1.737 2.027) 5.417 3.491 ( 1.947 -2.473 0.609) 3.206 3.594 ( 3.958 7.176 0.098) 8.196 3.821 ( 4.271 6.961 -0.895) 8.216 4.106 ( 0.859 -3.835 -7.613) 8.567 4.449 ( 3.922 0.006 -4.462) 5.941 4.665 ( -5.483 1.516 -4.361) 7.169 4.831 ( 1.881 7.640 -1.773) 8.066 5.100 ( -1.800 12.439 -2.017) 12.730 5.206 ( -2.149 6.297 4.866) 8.243 5.444 ( -6.757 -1.045 2.402) 7.247 6.472 ( 0.019 -8.259 1.727) 8.438 6.848 ( -5.141 1.819 -1.278) 5.601 7.086 ( 16.204 3.855 -0.973) 16.685 7.472 ( 9.175 4.433 -4.081) 10.977 7.644 ( 3.221 -6.425 10.639) 12.839 8.060 ( -6.575 -3.931 -2.410) 8.030 8.658 ( 1.195 4.338 -1.131) 4.639 8.698 ( 7.055 6.492 1.761) 9.748 8.784 ( -7.389 -0.097 3.226) 8.063 9.142 ( -4.705 -9.213 -12.805) 16.462 9.286 ( 4.444 2.660 -3.923) 6.497 9.859 ( 0.645 -5.957 2.365) 6.441 10.623 ( -8.154 5.016 -2.208) 9.825 11.046 ( -3.968 8.070 -4.292) 9.965 11.267 ( -16.687 3.994 4.398) 17.713 11.385 ( -2.456 -1.498 2.036) 3.525 12.167 ( 3.882 -3.020 -1.214) 5.066 12.489 ( -3.113 -2.350 1.021) 4.032 12.837 ( 2.952 -12.342 2.696) 12.973 13.044 ( -3.690 -9.365 -7.759) 12.709 13.940 ( -6.783 -2.117 4.388) 8.352 14.143 ( 0.491 6.029 0.307) 6.057 14.529 ( 5.937 -4.265 -4.066) 8.365 15.130 ( 20.452 2.120 3.755) 20.901 17.638 ( -4.759 4.127 -4.095) 7.514 17.871 ( -7.839 3.245 0.728) 8.515 18.273 ( -0.767 -0.305 6.462) 6.515 18.447 ( -10.591 -10.883 -20.104) 25.195 20.983 ( 1.018 -1.409 5.666) 5.927 21.601 ( -9.649 -8.566 23.749) 27.028 21.866 ( 5.699 -4.054 5.748) 9.053 22.252 ( 2.547 -9.582 -12.905) 16.274 25.037 ( -2.228 6.284 -0.711) 6.705 25.337 ( 5.362 6.948 6.251) 10.775 25.605 ( 0.048 -2.642 -11.606) 11.903 26.118 ( 7.146 -10.248 2.067) 12.663 29.050 ( -3.188 0.086 -0.132) 3.192 29.105 ( -2.502 -0.772 0.151) 2.623 29.520 ( 1.808 0.497 1.522) 2.415 29.777 ( 7.295 0.756 0.335) 7.342 37.780 ( -7.826 0.462 0.278) 7.845 37.861 ( -9.052 -0.682 -1.206) 9.158 38.940 ( 4.625 0.293 0.065) 4.634 38.961 ( 4.411 -0.166 -0.049) 4.414 69.686 ( -2.733 8.331 1.124) 8.839 69.785 ( -2.643 7.651 0.144) 8.096 72.306 ( 4.401 33.833 -0.997) 34.133 75.324 ( 81.855 31.157 -0.640) 87.587 ======================= Grid point 153 (69/168) ======================= q-point: (-0.09 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -6.011 21.360 -5.740) 22.920 1.288 ( -11.316 22.891 3.086) 25.721 1.728 ( -16.111 16.118 15.900) 27.788 1.982 ( 0.032 3.952 -2.367) 4.606 2.653 ( -15.426 -3.622 1.391) 15.907 2.730 ( -4.241 8.054 1.761) 9.271 2.938 ( 0.524 -1.359 3.231) 3.545 3.080 ( -6.979 2.307 -1.684) 7.540 3.461 ( 1.711 -5.127 -6.468) 8.429 3.696 ( 2.641 1.356 -2.969) 4.199 3.957 ( 4.112 2.932 -3.619) 6.213 3.999 ( 4.560 5.888 3.301) 8.146 4.409 ( -2.708 8.690 -6.673) 11.286 4.612 ( 4.008 -5.354 -2.519) 7.147 4.873 ( 1.078 7.386 2.981) 8.037 5.057 ( -0.921 8.674 -2.123) 8.978 5.233 ( -0.433 9.345 4.448) 10.358 5.364 ( -5.354 -0.972 1.404) 5.619 6.469 ( -0.418 -8.646 -1.356) 8.762 6.750 ( -4.927 -0.536 0.938) 5.044 7.305 ( 11.421 2.097 -3.887) 12.245 7.583 ( 7.989 1.561 -1.989) 8.380 7.785 ( -3.089 -4.417 1.534) 5.604 7.882 ( -4.297 0.152 0.806) 4.375 8.621 ( -2.397 6.241 -2.441) 7.117 8.722 ( -4.144 -0.904 7.628) 8.728 8.874 ( 10.793 5.324 -4.854) 12.977 8.939 ( -3.150 -1.054 -8.496) 9.122 9.358 ( 7.649 -2.089 -0.558) 7.949 9.899 ( -6.035 -9.182 11.640) 16.007 10.538 ( 1.614 9.899 -2.629) 10.368 10.890 ( -10.410 15.658 -0.513) 18.810 11.115 ( -4.159 2.345 -1.890) 5.135 11.344 ( -3.339 0.412 -0.695) 3.435 12.213 ( 2.368 -0.909 -1.472) 2.933 12.470 ( -3.810 -5.402 5.281) 8.461 12.774 ( -2.012 -4.031 -8.694) 9.792 12.996 ( -0.978 -14.682 3.557) 15.138 13.890 ( -3.548 -1.309 3.569) 5.200 14.147 ( -0.580 5.876 1.490) 6.090 14.589 ( 4.677 -4.373 -1.542) 6.586 15.451 ( 15.902 -1.692 -7.242) 17.555 17.562 ( -0.094 5.242 -3.030) 6.056 17.766 ( -4.465 4.393 0.774) 6.312 18.062 ( -9.946 -1.874 -7.451) 12.567 18.334 ( -1.661 0.292 2.009) 2.623 21.061 ( 1.753 -1.501 5.232) 5.718 21.692 ( -14.639 -16.057 32.926) 39.449 21.915 ( 0.570 -3.240 -6.431) 7.224 22.256 ( 6.339 -12.276 -0.512) 13.825 25.011 ( -0.610 7.360 0.009) 7.385 25.444 ( -0.540 3.735 -11.720) 12.312 25.567 ( 7.448 -1.454 10.639) 13.068 26.219 ( 3.271 -12.029 0.859) 12.495 29.011 ( -1.581 0.121 0.088) 1.588 29.072 ( -1.394 -0.802 -0.311) 1.638 29.569 ( 0.782 -0.140 3.871) 3.952 29.885 ( 5.064 -1.741 -0.270) 5.362 37.686 ( -4.003 0.314 0.485) 4.045 37.725 ( -5.522 0.430 -0.868) 5.607 38.997 ( 2.276 0.430 0.120) 2.319 39.015 ( 2.265 -0.622 -0.101) 2.351 69.661 ( -1.931 7.871 1.241) 8.199 69.750 ( -1.831 7.065 0.047) 7.299 72.471 ( 5.749 33.323 18.122) 38.365 76.492 ( 69.163 7.125 -35.865) 78.234 ======================= Grid point 154 (70/168) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 8.740 20.094 -2.370) 22.040 1.609 ( 0.081 15.972 4.147) 16.501 1.804 ( 5.020 3.417 -5.618) 8.273 2.267 ( -4.463 4.586 10.570) 12.356 2.422 ( -5.995 2.320 2.448) 6.878 2.758 ( -7.992 3.990 -1.461) 9.052 2.952 ( 2.834 -0.951 0.551) 3.040 3.027 ( -0.201 1.384 -3.470) 3.741 3.316 ( 2.618 -5.036 -5.353) 7.802 3.643 ( 2.247 -0.153 -6.167) 6.565 4.016 ( 1.306 3.428 0.950) 3.789 4.177 ( -0.485 0.527 -0.614) 0.943 4.528 ( 0.484 -5.843 5.198) 7.836 4.606 ( 3.878 5.282 3.749) 7.550 5.007 ( -1.894 3.929 0.348) 4.375 5.171 ( 1.572 5.119 -3.287) 6.283 5.349 ( -0.225 6.273 3.909) 7.395 5.614 ( -1.345 23.163 2.893) 23.382 6.256 ( -0.183 -10.498 0.755) 10.526 6.731 ( 0.849 0.001 0.918) 1.251 7.329 ( -2.456 -1.868 -4.909) 5.798 7.486 ( -1.720 -5.678 -6.925) 9.119 7.726 ( -0.256 2.262 1.548) 2.753 7.984 ( 1.395 1.287 1.736) 2.572 8.630 ( -3.891 2.461 0.378) 4.619 8.735 ( 2.026 0.497 0.572) 2.163 8.951 ( 2.869 2.387 0.808) 3.818 9.006 ( 3.770 -0.931 -2.038) 4.385 9.437 ( 6.754 -2.304 0.402) 7.147 9.698 ( -8.696 -6.737 4.054) 11.724 10.750 ( 6.203 8.443 -3.050) 10.912 11.065 ( 2.191 -1.187 -8.082) 8.457 11.147 ( -3.975 14.244 3.837) 15.278 11.414 ( -1.482 14.236 -0.092) 14.314 12.236 ( -1.716 1.946 1.764) 3.138 12.397 ( -0.518 -3.265 4.773) 5.806 12.618 ( -4.453 -15.743 0.890) 16.385 12.668 ( 4.707 -11.497 -0.468) 12.432 13.896 ( 0.863 1.238 1.872) 2.404 14.219 ( 0.608 1.197 -3.311) 3.573 14.611 ( 1.850 -0.398 6.148) 6.433 15.284 ( -4.577 -9.378 -10.100) 14.523 17.676 ( 2.679 5.670 0.089) 6.272 17.866 ( -0.477 6.030 0.294) 6.056 18.022 ( 6.612 -2.122 2.971) 7.553 18.283 ( -3.179 -1.313 -2.500) 4.252 21.138 ( 2.083 0.698 4.919) 5.387 21.460 ( -13.386 -9.120 19.252) 25.159 21.777 ( -0.549 -2.584 -9.201) 9.573 22.131 ( 7.108 -13.036 2.075) 14.992 25.165 ( 0.267 7.265 1.257) 7.378 25.402 ( -1.770 4.004 -5.544) 7.064 25.673 ( 3.524 -5.521 6.377) 9.142 25.988 ( -0.856 -11.985 -1.402) 12.097 29.004 ( 0.117 0.183 0.316) 0.383 29.040 ( -0.102 -0.731 -0.421) 0.849 29.616 ( -0.402 0.984 3.205) 3.376 29.850 ( -0.085 -3.328 -1.998) 3.883 37.661 ( -0.202 0.487 0.399) 0.661 37.693 ( 0.436 0.262 -0.172) 0.536 39.020 ( -0.041 -0.493 0.041) 0.496 39.024 ( 0.037 0.183 -0.037) 0.190 69.811 ( -0.241 7.941 1.031) 8.011 69.867 ( -0.510 6.686 0.029) 6.705 73.480 ( 1.841 37.894 24.045) 44.917 76.288 ( -1.796 -22.067 -41.463) 47.004 ======================= Grid point 155 (71/168) ======================= q-point: ( 0.09 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 17.118 20.189 -2.613) 26.598 1.785 ( 11.599 9.657 11.689) 19.090 1.895 ( 11.343 1.981 -10.680) 15.705 2.235 ( 4.313 -2.145 -4.141) 6.352 2.394 ( -8.447 1.120 7.338) 11.245 2.663 ( -1.847 1.134 -0.272) 2.184 3.021 ( 6.007 6.925 3.097) 9.676 3.059 ( 4.343 -2.452 -0.307) 4.997 3.311 ( 1.574 -3.140 -4.052) 5.362 3.665 ( 6.081 2.202 -3.979) 7.593 3.987 ( -3.977 8.530 -3.533) 10.053 4.097 ( -3.052 1.578 -3.016) 4.572 4.557 ( -5.301 -4.217 7.472) 10.085 4.765 ( 7.815 -0.614 4.049) 8.823 4.959 ( -3.149 4.174 -1.338) 5.397 5.144 ( 0.616 2.723 -5.280) 5.972 5.450 ( 4.777 11.798 7.847) 14.953 5.625 ( 1.090 18.950 1.007) 19.008 6.305 ( 1.668 -8.309 6.741) 10.828 6.754 ( 3.174 -0.410 -4.480) 5.506 7.230 ( -4.379 -1.453 -2.213) 5.117 7.332 ( -3.727 1.958 -8.696) 9.662 7.771 ( -2.310 -2.068 4.933) 5.827 7.982 ( -1.256 -2.227 -0.666) 2.642 8.565 ( -4.013 4.007 -0.980) 5.755 8.774 ( 2.336 2.867 -0.289) 3.709 8.971 ( -0.932 2.914 -0.564) 3.111 9.058 ( 5.044 -3.989 -0.753) 6.475 9.512 ( -7.981 -7.625 1.602) 11.154 9.641 ( 6.228 -6.101 2.681) 9.121 10.848 ( 9.853 8.554 -4.567) 13.824 11.026 ( 5.069 0.112 -10.859) 11.985 11.125 ( -5.742 7.973 6.008) 11.517 11.432 ( 2.613 16.578 3.224) 17.090 12.220 ( -2.523 0.826 2.585) 3.705 12.402 ( -1.511 -2.734 -0.057) 3.125 12.543 ( -6.319 -14.505 2.571) 16.029 12.801 ( 9.964 -11.656 -0.503) 15.343 13.943 ( 1.979 2.149 2.497) 3.843 14.201 ( 1.619 -0.240 -3.603) 3.958 14.694 ( -1.499 -0.447 8.332) 8.477 15.045 ( -9.996 -5.650 -9.444) 14.867 17.756 ( 4.237 6.565 1.998) 8.065 17.822 ( 0.147 5.776 -3.374) 6.691 18.145 ( -3.103 -1.498 -2.832) 4.460 18.303 ( 13.532 -7.236 2.086) 15.487 21.208 ( -1.046 1.089 6.391) 6.567 21.420 ( -11.494 -7.869 15.227) 20.637 21.663 ( -2.864 -2.047 -8.195) 8.919 22.281 ( 7.953 -15.928 2.753) 18.014 25.183 ( -0.067 7.221 1.599) 7.396 25.325 ( -1.552 5.782 -4.073) 7.241 25.774 ( 1.037 -8.805 5.842) 10.618 25.925 ( -3.901 -10.827 -3.118) 11.923 29.023 ( 1.632 0.070 0.439) 1.691 29.045 ( 1.337 -0.457 -0.555) 1.518 29.630 ( -2.165 0.305 3.611) 4.221 29.802 ( -2.876 -2.652 -2.313) 4.545 37.697 ( 4.133 0.692 0.429) 4.212 37.739 ( 5.226 -0.272 -0.331) 5.243 38.999 ( -2.425 -0.197 0.028) 2.433 39.010 ( -1.844 0.003 -0.024) 1.844 69.837 ( 1.837 7.914 1.575) 8.276 69.877 ( 1.857 6.907 -0.193) 7.155 73.716 ( -7.696 30.771 30.909) 44.288 75.541 ( -31.663 -3.936 -44.347) 54.632 ======================= Grid point 156 (72/168) ======================= q-point: ( 0.18 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 12.146 15.865 -2.478) 20.134 1.865 ( 9.580 -2.317 -14.546) 17.571 2.129 ( 13.280 1.591 5.283) 14.381 2.261 ( -13.766 5.269 10.192) 17.920 2.444 ( 19.797 -0.377 -2.779) 19.995 2.698 ( 7.546 -3.539 -1.726) 8.512 3.094 ( 1.229 -1.011 -1.011) 1.886 3.236 ( 9.779 8.487 9.378) 15.987 3.258 ( -2.638 -1.617 -5.315) 6.150 3.686 ( 1.913 3.551 -8.937) 9.805 3.929 ( 2.882 5.838 1.228) 6.626 4.058 ( -1.407 2.580 1.581) 3.338 4.479 ( -8.914 1.200 0.734) 9.024 4.861 ( 0.850 4.922 -5.860) 7.700 4.925 ( 2.032 0.561 3.134) 3.777 5.110 ( 0.558 0.476 -2.117) 2.241 5.630 ( 6.490 14.920 8.384) 18.303 5.698 ( 7.195 12.380 1.122) 14.363 6.407 ( 0.220 -3.461 7.207) 7.998 6.756 ( 5.871 -1.687 -7.205) 9.446 7.132 ( -7.219 4.981 1.996) 8.995 7.254 ( -0.175 1.145 -3.159) 3.365 7.699 ( -8.512 -0.448 1.965) 8.747 7.963 ( -0.291 -6.740 -1.421) 6.895 8.484 ( -4.535 5.335 -0.538) 7.023 8.808 ( 0.447 3.062 1.953) 3.659 8.908 ( -4.187 2.467 -3.379) 5.920 9.150 ( 6.955 -6.460 -1.546) 9.618 9.345 ( -6.259 -6.359 -5.839) 10.664 9.802 ( 3.977 -8.639 7.489) 12.105 10.961 ( 10.502 6.521 -8.450) 14.974 11.029 ( 6.920 -0.332 -8.661) 11.091 11.097 ( -2.125 6.335 5.002) 8.347 11.538 ( 2.332 12.059 7.388) 14.333 12.211 ( -0.698 -0.943 1.599) 1.984 12.323 ( -6.220 -8.574 -2.235) 10.826 12.509 ( -0.988 -3.960 2.575) 4.826 12.937 ( 7.012 -11.779 -0.735) 13.727 13.998 ( 1.885 3.287 1.240) 3.987 14.205 ( 2.730 -1.657 -2.603) 4.120 14.661 ( -9.205 1.526 1.101) 9.396 14.871 ( -5.271 -4.617 2.141) 7.327 17.753 ( 1.211 5.049 -5.831) 7.807 17.902 ( 5.465 5.459 2.908) 8.254 18.050 ( -1.790 -0.496 -3.379) 3.856 18.546 ( 12.793 -9.488 -0.213) 15.929 21.203 ( -8.779 0.466 8.937) 12.536 21.419 ( -3.843 -4.983 9.896) 11.728 21.526 ( -3.804 -1.049 -7.691) 8.644 22.431 ( 7.163 -18.473 1.810) 19.896 25.178 ( -1.626 6.824 -0.589) 7.040 25.289 ( 0.392 5.492 -0.435) 5.524 25.790 ( -4.767 -7.101 -2.689) 8.965 25.834 ( -2.591 -10.303 2.561) 10.928 29.063 ( 2.845 -0.090 0.129) 2.850 29.075 ( 2.867 -0.227 -0.243) 2.886 29.615 ( -3.770 0.035 2.993) 4.814 29.719 ( -4.579 -1.973 -1.782) 5.295 37.802 ( 8.016 0.895 0.429) 8.077 37.849 ( 8.646 -0.336 -0.603) 8.674 38.942 ( -4.574 0.074 0.042) 4.575 38.961 ( -4.013 0.041 -0.036) 4.013 69.894 ( 2.948 7.714 1.618) 8.415 69.928 ( 4.417 7.198 0.054) 8.445 73.808 ( -18.477 24.793 29.963) 43.056 74.542 ( -38.242 12.756 -35.444) 53.679 ======================= Grid point 157 (73/168) ======================= q-point: ( 0.27 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 5.384 -1.242 -15.633) 16.580 2.068 ( -6.129 -2.343 -0.221) 6.565 2.117 ( 13.139 11.206 2.444) 17.441 2.379 ( 1.021 7.981 9.099) 12.146 2.694 ( 13.243 0.283 -5.998) 14.541 2.825 ( 6.563 -2.771 1.942) 7.384 3.096 ( -2.393 -6.383 -1.751) 7.039 3.189 ( 4.299 -1.249 0.442) 4.499 3.426 ( 3.661 9.447 1.545) 10.248 3.697 ( 6.726 4.709 5.458) 9.859 3.973 ( 0.417 2.549 -4.728) 5.388 4.110 ( 3.812 -0.687 2.135) 4.423 4.325 ( -5.813 8.365 -3.174) 10.669 4.813 ( 2.181 8.196 -5.460) 10.087 4.945 ( -2.313 2.881 -0.166) 3.699 5.155 ( 4.280 -4.898 2.719) 7.050 5.803 ( 9.799 15.589 0.201) 18.414 5.885 ( 9.486 10.699 6.072) 15.534 6.427 ( 0.271 0.693 -1.352) 1.543 6.813 ( 3.906 0.807 -1.235) 4.175 7.073 ( -5.465 7.733 8.478) 12.710 7.143 ( -9.417 4.541 -5.984) 12.046 7.644 ( -0.660 -3.836 4.158) 5.695 7.920 ( -1.770 -8.037 -3.682) 9.016 8.416 ( -3.854 4.595 0.990) 6.079 8.758 ( -7.335 0.734 -3.203) 8.038 8.830 ( -1.742 3.189 0.711) 3.703 9.188 ( -2.669 3.526 -0.849) 4.503 9.287 ( 8.911 -15.440 -7.353) 19.283 9.895 ( -0.901 -7.730 6.543) 10.167 10.956 ( -0.159 1.250 -5.085) 5.239 11.115 ( 7.772 -0.543 -3.074) 8.376 11.191 ( 12.098 5.235 -3.287) 13.586 11.611 ( -1.541 2.093 4.949) 5.590 12.196 ( -7.033 -6.017 0.979) 9.307 12.250 ( 3.450 1.781 1.477) 4.154 12.531 ( 0.146 -3.067 2.281) 3.825 13.017 ( 4.005 -10.192 -0.974) 10.993 14.001 ( -1.299 3.392 -2.756) 4.560 14.232 ( 1.139 0.218 0.577) 1.295 14.522 ( -5.029 1.228 -1.344) 5.348 14.826 ( -6.404 -4.003 4.940) 9.024 17.720 ( 1.718 4.303 -5.170) 6.942 17.973 ( 3.054 0.450 -0.627) 3.150 18.079 ( 4.317 3.428 2.501) 6.054 18.703 ( 8.780 -9.223 -3.510) 13.209 21.127 ( -10.773 0.212 9.030) 14.058 21.398 ( -2.998 -1.249 -6.302) 7.089 21.465 ( -1.384 -1.348 6.852) 7.119 22.541 ( 5.651 -19.989 -1.256) 20.811 25.130 ( -2.226 5.780 -1.430) 6.357 25.317 ( 1.716 3.951 1.700) 4.631 25.656 ( -5.351 -3.171 -4.655) 7.769 25.820 ( -3.429 -9.145 2.534) 10.090 29.119 ( 4.167 -0.116 -0.188) 4.173 29.130 ( 3.822 -0.253 0.107) 3.832 29.567 ( -4.640 0.070 1.326) 4.826 29.621 ( -5.797 -1.417 -0.627) 6.000 37.960 ( 10.591 0.987 0.250) 10.640 38.004 ( 10.807 0.078 -0.488) 10.818 38.850 ( -6.650 0.379 0.033) 6.661 38.878 ( -6.173 0.123 -0.020) 6.174 69.965 ( 3.791 7.766 1.385) 8.753 70.008 ( 4.927 7.242 -0.226) 8.762 73.670 ( -30.805 22.356 -23.875) 44.930 73.709 ( -24.783 21.745 22.614) 39.981 ======================= Grid point 158 (74/168) ======================= q-point: ( 0.36 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -4.624 2.509 0.319) 5.270 2.046 ( 9.792 -4.103 -9.249) 14.081 2.310 ( 7.365 9.691 0.859) 12.203 2.430 ( -0.836 8.325 8.447) 11.889 2.771 ( 3.161 -2.370 -1.475) 4.217 2.969 ( -4.175 -7.040 -3.242) 8.803 3.019 ( 4.834 0.710 10.242) 11.347 3.273 ( -2.583 2.126 3.961) 5.184 3.543 ( 11.681 0.902 0.543) 11.729 3.856 ( -3.219 0.308 1.128) 3.425 3.940 ( 5.044 6.458 -1.603) 8.350 4.049 ( -0.503 2.121 -8.668) 8.938 4.325 ( 3.156 8.065 0.599) 8.681 4.835 ( 3.875 8.242 -1.251) 9.193 4.894 ( -2.815 2.096 0.999) 3.649 5.258 ( 3.848 -6.300 2.967) 7.956 5.944 ( 8.116 15.810 -4.410) 18.310 6.059 ( 9.933 9.727 -5.283) 14.873 6.462 ( 4.645 2.099 2.828) 5.830 6.806 ( -4.724 13.856 1.140) 14.684 6.880 ( -12.766 6.710 -6.250) 15.719 7.108 ( -1.230 1.387 7.587) 7.811 7.693 ( 0.529 -6.728 1.215) 6.858 7.871 ( 0.371 -7.889 -0.536) 7.916 8.386 ( -2.174 3.761 3.082) 5.327 8.609 ( -5.343 1.620 -4.035) 6.889 8.798 ( -3.962 0.974 2.391) 4.729 9.147 ( -1.302 6.549 0.277) 6.683 9.374 ( 8.503 -16.261 -5.892) 19.273 9.920 ( -2.296 -5.761 4.420) 7.615 10.900 ( -0.918 0.047 -4.179) 4.279 11.185 ( 3.221 -3.075 -0.128) 4.455 11.374 ( 11.237 1.111 -3.208) 11.738 11.613 ( 3.871 -6.711 -4.298) 8.860 12.116 ( -7.721 -0.640 7.355) 10.682 12.349 ( 4.658 1.787 2.909) 5.775 12.555 ( -0.803 -3.942 4.070) 5.723 13.057 ( 2.677 -7.602 -2.002) 8.304 13.906 ( -4.093 3.884 -5.739) 8.048 14.226 ( -4.116 4.547 2.500) 6.623 14.491 ( 2.407 -1.435 -2.070) 3.484 14.754 ( -5.964 -4.371 1.752) 7.599 17.721 ( 2.355 4.895 -0.825) 5.495 18.039 ( 4.361 -2.195 1.183) 5.024 18.163 ( 2.272 3.877 2.101) 4.960 18.773 ( 5.789 -8.700 -5.806) 11.954 21.042 ( -9.594 0.836 7.952) 12.489 21.312 ( -0.474 -0.670 -4.988) 5.056 21.501 ( -2.070 0.002 6.034) 6.379 22.583 ( 3.857 -19.905 -6.105) 21.174 25.092 ( -1.392 4.668 0.319) 4.881 25.369 ( 2.171 1.478 2.018) 3.312 25.541 ( -3.473 0.438 -3.617) 5.033 25.774 ( -3.706 -7.188 0.472) 8.101 29.196 ( 4.530 -0.221 0.083) 4.536 29.197 ( 4.884 -0.253 -0.057) 4.890 29.490 ( -5.039 -0.050 -0.910) 5.121 29.524 ( -6.095 -0.636 0.900) 6.194 38.143 ( 11.366 1.042 -0.169) 11.415 38.187 ( 11.412 0.546 0.043) 11.425 38.727 ( -8.341 0.675 -0.063) 8.369 38.761 ( -7.940 0.115 0.091) 7.941 70.039 ( 3.535 7.965 0.915) 8.762 70.071 ( 3.417 7.365 -1.220) 8.210 73.098 ( -16.506 26.590 -12.362) 33.649 73.480 ( -23.256 21.172 12.567) 33.867 ======================= Grid point 159 (75/168) ======================= q-point: ( 0.45 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -2.925 3.210 8.200) 9.279 2.225 ( 15.204 -4.407 3.286) 16.167 2.391 ( 3.436 5.974 -0.657) 6.923 2.543 ( -0.794 7.602 10.547) 13.025 2.780 ( 1.801 -0.273 -1.647) 2.456 2.852 ( -5.946 -2.880 1.173) 6.710 3.210 ( -0.351 5.463 7.349) 9.164 3.234 ( -3.989 -1.474 8.413) 9.427 3.654 ( 1.597 3.329 -10.696) 11.316 3.762 ( -2.796 -5.664 -5.815) 8.586 3.862 ( 2.668 7.084 -3.224) 8.227 4.167 ( 6.152 1.870 5.199) 8.269 4.333 ( -0.428 7.951 -4.207) 9.006 4.858 ( -1.582 6.961 3.973) 8.169 4.935 ( 4.535 2.623 2.239) 5.698 5.320 ( 0.294 -7.333 2.130) 7.642 5.906 ( -1.628 13.718 -14.188) 19.802 6.109 ( 7.631 6.496 -14.643) 17.744 6.580 ( -1.450 8.511 2.967) 9.130 6.663 ( -1.709 11.079 -2.209) 11.425 6.752 ( -3.022 12.898 4.749) 14.073 7.151 ( -1.629 -2.464 3.721) 4.751 7.682 ( 0.428 -5.612 -1.280) 5.772 7.914 ( 0.736 -7.897 3.597) 8.709 8.405 ( -0.584 4.046 5.170) 6.591 8.523 ( -0.802 2.895 -2.700) 4.039 8.764 ( -3.452 -1.020 4.017) 5.394 9.155 ( 0.258 7.607 3.117) 8.225 9.432 ( 5.542 -15.195 -5.910) 17.220 9.916 ( -1.630 -4.643 1.360) 5.105 10.847 ( -1.253 -0.733 -2.798) 3.152 11.230 ( 2.048 -7.010 0.907) 7.359 11.422 ( -0.486 -0.857 -2.268) 2.472 11.711 ( 14.730 -8.615 -10.412) 19.990 12.082 ( -7.857 0.423 10.793) 13.357 12.418 ( -2.426 -1.840 6.781) 7.433 12.602 ( 0.455 -1.572 5.878) 6.101 13.057 ( 0.881 -5.473 -4.085) 6.886 13.805 ( 0.688 4.410 -6.374) 7.781 14.161 ( -4.881 5.696 0.472) 7.516 14.517 ( 2.443 -1.753 -2.210) 3.732 14.680 ( -3.217 -5.065 -1.025) 6.087 17.785 ( 3.030 5.043 4.678) 7.517 18.115 ( 1.877 -3.087 2.676) 4.496 18.184 ( -1.277 3.745 0.444) 3.982 18.788 ( 4.297 -8.874 -7.341) 12.292 20.975 ( -7.324 1.696 6.552) 9.972 21.287 ( 2.330 -1.161 -3.097) 4.045 21.518 ( -2.987 1.087 5.959) 6.754 22.546 ( 2.164 -18.070 -11.114) 21.324 25.099 ( 0.193 3.781 3.034) 4.852 25.415 ( -0.217 -1.715 1.442) 2.251 25.480 ( 0.800 3.004 -1.963) 3.676 25.718 ( -2.272 -5.220 -1.568) 5.905 29.256 ( 2.671 -0.040 0.252) 2.683 29.291 ( 5.645 -0.649 0.071) 5.682 29.394 ( -4.825 0.272 -0.883) 4.913 29.443 ( -4.207 -0.297 0.160) 4.221 38.314 ( 8.926 1.258 -0.267) 9.018 38.356 ( 7.248 0.853 0.220) 7.301 38.592 ( -6.440 0.881 -0.077) 6.501 38.631 ( -7.267 -0.211 0.158) 7.272 70.073 ( 0.070 8.506 -0.999) 8.565 70.104 ( 2.299 7.538 -0.962) 7.940 72.901 ( 1.321 26.798 -1.913) 26.899 73.234 ( -15.360 22.242 3.100) 27.208 ======================= Grid point 160 (76/168) ======================= q-point: (-0.45 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 1.247 3.265 12.961) 13.424 2.372 ( -5.776 -1.336 -1.629) 6.148 2.469 ( 1.019 -3.783 3.942) 5.558 2.617 ( 5.974 11.424 10.740) 16.780 2.789 ( -4.729 1.916 4.268) 6.652 2.877 ( 3.381 -1.981 3.721) 5.404 3.128 ( -4.499 5.445 2.510) 7.495 3.330 ( 0.786 -1.569 3.557) 3.966 3.497 ( -3.952 12.199 -9.198) 15.781 3.668 ( -3.568 -2.637 -1.137) 4.580 3.930 ( 4.199 -1.283 -1.455) 4.626 4.205 ( -3.153 7.546 -8.566) 11.843 4.310 ( 0.800 1.229 5.963) 6.141 4.879 ( 0.632 6.925 0.284) 6.960 5.046 ( 2.705 2.658 7.535) 8.436 5.310 ( -3.802 -7.355 2.179) 8.561 5.664 ( -5.959 11.411 -17.831) 21.992 6.015 ( 0.643 6.581 -15.639) 16.980 6.470 ( -8.469 8.456 1.059) 12.014 6.708 ( 6.169 16.601 -1.938) 17.816 6.882 ( 7.958 3.453 6.349) 10.750 7.114 ( -3.257 -1.521 -0.868) 3.698 7.680 ( -3.733 -5.757 2.442) 7.283 7.945 ( 1.389 -6.471 0.771) 6.663 8.464 ( 1.174 4.225 5.516) 7.046 8.529 ( 3.840 3.860 -1.538) 5.658 8.778 ( -1.095 -1.898 6.289) 6.660 9.213 ( 1.048 7.518 5.858) 9.588 9.429 ( 1.524 -13.272 -6.891) 15.031 9.894 ( -0.248 -4.120 -2.742) 4.955 10.809 ( -1.336 -1.324 -0.442) 1.932 11.271 ( 1.650 -8.020 1.054) 8.255 11.369 ( -1.279 -0.286 -4.442) 4.631 11.802 ( 6.766 -8.819 -9.238) 14.453 12.062 ( -7.116 1.359 10.320) 12.609 12.430 ( -5.229 -4.260 9.226) 11.428 12.649 ( -2.641 -0.386 5.464) 6.082 13.018 ( 0.542 -5.885 -4.517) 7.439 13.826 ( 8.626 3.973 -5.174) 10.816 14.103 ( -0.812 4.630 -1.639) 4.978 14.510 ( -0.584 -0.605 -2.497) 2.635 14.636 ( -0.287 -5.289 -1.606) 5.535 17.904 ( 2.921 4.034 8.836) 10.143 18.130 ( -5.146 2.202 0.449) 5.615 18.141 ( -1.680 -0.514 1.081) 2.063 18.768 ( 2.739 -9.955 -8.745) 13.531 20.935 ( -4.635 2.490 5.132) 7.350 21.323 ( 4.592 -2.890 -1.360) 5.594 21.527 ( -3.571 1.961 7.135) 8.216 22.444 ( 1.170 -15.317 -14.204) 20.922 25.151 ( 1.069 3.427 4.750) 5.954 25.372 ( -3.237 1.153 -1.394) 3.708 25.543 ( 5.373 -1.254 1.415) 5.696 25.674 ( 0.013 -4.180 -3.366) 5.367 29.265 ( -2.623 0.105 0.661) 2.707 29.282 ( -5.062 -0.407 -0.375) 5.093 29.407 ( 2.463 -0.186 -0.971) 2.654 29.421 ( 5.514 0.109 0.128) 5.516 38.318 ( -9.494 1.216 -0.241) 9.574 38.353 ( -6.236 0.841 0.201) 6.295 38.598 ( 5.770 0.396 0.018) 5.784 38.627 ( 7.668 0.198 0.096) 7.672 70.038 ( -2.590 9.013 -1.242) 9.459 70.110 ( -0.467 7.830 -1.309) 7.953 73.045 ( -1.721 25.164 -3.056) 25.408 73.113 ( 16.627 23.811 4.679) 29.416 ======================= Grid point 161 (77/168) ======================= q-point: (-0.36 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -1.551 8.076 5.317) 9.793 2.185 ( -12.424 1.772 -1.551) 12.645 2.476 ( -5.089 0.420 5.591) 7.571 2.696 ( -7.820 5.650 6.026) 11.375 2.804 ( -7.363 -0.349 -0.722) 7.407 2.869 ( 8.650 4.072 1.763) 9.722 3.208 ( -4.559 -1.883 3.139) 5.846 3.260 ( -3.854 4.740 -4.943) 7.859 3.405 ( -2.022 5.353 4.735) 7.427 3.715 ( 6.227 4.783 8.316) 11.437 3.942 ( 1.478 -0.401 -5.700) 5.902 4.037 ( -5.210 7.723 -8.124) 12.361 4.361 ( -2.888 -3.211 6.040) 7.425 4.856 ( 0.461 2.930 -7.180) 7.768 5.134 ( -3.070 2.592 6.434) 7.585 5.263 ( -3.943 -0.972 4.012) 5.709 5.436 ( -2.171 9.948 -11.692) 15.504 5.858 ( -3.474 9.555 -10.432) 14.566 6.359 ( -5.683 0.411 0.660) 5.736 6.813 ( 8.202 13.461 -1.670) 15.851 7.008 ( 0.427 -2.158 1.303) 2.557 7.148 ( 9.696 5.629 1.978) 11.384 7.579 ( -8.545 -7.075 -0.034) 11.094 7.989 ( 1.994 -5.690 1.336) 6.176 8.547 ( 2.344 4.110 5.138) 6.985 8.601 ( 6.308 3.561 -1.760) 7.454 8.834 ( -0.482 -1.783 6.080) 6.355 9.292 ( 0.238 7.467 6.798) 10.101 9.342 ( -2.543 -11.043 -8.311) 14.053 9.851 ( 0.478 -3.437 -6.292) 7.186 10.791 ( -1.196 -1.007 0.589) 1.671 11.298 ( -0.290 -1.540 -4.444) 4.712 11.306 ( 0.207 -2.048 0.633) 2.153 11.734 ( -6.811 -5.536 -2.969) 9.266 12.070 ( -1.030 0.438 3.870) 4.029 12.434 ( -5.748 -7.029 10.130) 13.604 12.618 ( -4.361 -0.268 0.890) 4.459 13.002 ( 1.261 -8.037 -2.450) 8.496 13.943 ( 8.603 1.960 -3.461) 9.478 14.114 ( 3.876 3.702 -0.689) 5.404 14.462 ( -0.721 -0.539 -3.754) 3.860 14.651 ( 3.404 -3.803 0.688) 5.150 18.010 ( -5.176 3.672 -2.661) 6.882 18.049 ( -0.297 3.021 11.075) 11.484 18.105 ( -3.868 -0.124 1.490) 4.147 18.691 ( -0.844 -11.307 -10.701) 15.591 20.925 ( -2.056 2.889 3.914) 5.281 21.393 ( 3.297 -5.812 1.061) 6.766 21.558 ( -1.515 2.649 8.523) 9.053 22.314 ( 0.809 -12.670 -14.817) 19.512 25.210 ( -0.151 4.006 3.817) 5.535 25.313 ( -1.506 3.026 -0.823) 3.479 25.640 ( 2.464 -4.679 -4.390) 6.873 25.669 ( 5.682 -4.063 1.565) 7.158 29.195 ( -5.106 -0.121 -0.097) 5.109 29.205 ( -4.422 -0.213 0.277) 4.436 29.445 ( 3.577 0.597 -1.022) 3.768 29.537 ( 7.152 -0.354 0.418) 7.173 38.134 ( -11.650 1.238 -0.272) 11.719 38.201 ( -10.972 0.012 0.232) 10.975 38.724 ( 8.272 0.423 -0.090) 8.283 38.764 ( 7.963 0.370 0.123) 7.973 69.975 ( -3.772 9.194 -0.563) 9.953 70.066 ( -3.096 7.924 -1.113) 8.579 72.969 ( 2.697 29.350 -8.462) 30.664 73.670 ( 38.631 19.157 9.890) 44.239 ======================= Grid point 162 (78/168) ======================= q-point: (-0.27 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -7.411 13.162 -8.332) 17.251 2.005 ( -9.629 11.865 2.339) 15.459 2.353 ( -7.325 1.355 -8.456) 11.270 2.569 ( -17.856 3.941 6.319) 19.347 2.747 ( -4.526 -1.760 7.669) 9.077 2.927 ( -11.955 0.657 2.127) 12.160 3.025 ( 2.985 5.734 -1.134) 6.563 3.264 ( -4.356 3.063 5.974) 8.003 3.438 ( -1.371 2.324 4.529) 5.272 3.818 ( -2.462 8.185 -9.653) 12.893 3.890 ( 4.162 0.441 -4.731) 6.316 4.011 ( 3.667 1.038 6.830) 7.821 4.334 ( -3.401 -6.400 1.071) 7.326 4.772 ( -0.705 -2.798 -7.699) 8.222 5.057 ( -5.091 6.054 -2.240) 8.221 5.279 ( -1.197 3.118 3.484) 4.826 5.367 ( -0.839 10.493 0.230) 10.529 5.707 ( -5.709 13.517 -4.140) 15.246 6.304 ( -2.760 -6.438 1.861) 7.248 6.913 ( 3.107 0.493 -0.225) 3.154 7.037 ( 4.082 7.839 -0.643) 8.862 7.342 ( 9.505 1.938 1.339) 9.792 7.490 ( 0.262 -3.604 1.478) 3.904 8.014 ( -0.557 -6.374 0.849) 6.455 8.638 ( 2.706 2.098 4.010) 5.273 8.685 ( 5.877 4.085 -0.956) 7.221 8.858 ( -1.700 -0.828 1.565) 2.454 9.173 ( -6.346 -9.295 -8.834) 14.308 9.360 ( 0.573 7.636 3.450) 8.399 9.792 ( -0.747 -2.799 -4.029) 4.962 10.769 ( -1.135 1.755 -1.476) 2.559 11.233 ( -0.007 2.905 -5.734) 6.428 11.348 ( 1.717 -0.204 2.473) 3.017 11.558 ( -13.142 -0.013 2.003) 13.294 12.083 ( 0.935 -1.462 -0.992) 1.999 12.454 ( -3.361 -11.204 8.078) 14.216 12.556 ( -3.376 -1.343 1.352) 3.877 12.978 ( -1.442 -8.884 -3.500) 9.657 13.979 ( -0.719 0.281 -1.759) 1.921 14.198 ( 4.811 2.917 -0.064) 5.626 14.436 ( 2.709 -0.785 -4.197) 5.057 14.795 ( 11.360 -2.964 4.828) 12.695 17.864 ( -6.474 4.813 -4.640) 9.306 18.028 ( -6.564 1.974 2.795) 7.403 18.185 ( 1.867 0.889 8.783) 9.024 18.520 ( -5.963 -10.939 -12.329) 17.528 20.944 ( 0.026 2.675 3.184) 4.159 21.435 ( -2.850 -6.708 6.967) 10.083 21.657 ( 3.844 0.129 6.806) 7.818 22.183 ( 0.513 -10.529 -13.710) 17.294 25.196 ( -2.173 5.119 -0.576) 5.590 25.340 ( 2.235 3.970 3.493) 5.741 25.610 ( 1.354 -3.758 -6.347) 7.499 25.800 ( 6.650 -7.603 2.027) 10.302 29.116 ( -4.378 0.030 -0.139) 4.380 29.140 ( -3.709 -0.573 0.165) 3.757 29.495 ( 3.190 1.306 -0.331) 3.463 29.657 ( 6.897 -0.794 0.357) 6.952 37.947 ( -10.634 1.118 -0.077) 10.693 38.020 ( -10.825 -0.365 -0.126) 10.831 38.848 ( 6.722 0.238 -0.008) 6.726 38.880 ( 6.082 0.280 0.026) 6.089 69.909 ( -3.874 8.974 0.198) 9.777 69.998 ( -4.090 7.674 -0.210) 8.698 72.967 ( 6.997 35.138 -7.879) 36.684 74.536 ( 54.330 10.514 8.921) 56.053 ======================= Grid point 163 (79/168) ======================= q-point: (-0.18 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -7.202 17.021 -10.114) 21.068 1.881 ( -6.582 18.188 -3.124) 19.593 2.123 ( -9.767 3.118 -9.208) 13.780 2.268 ( -22.233 8.583 9.667) 25.718 2.717 ( -10.721 -6.376 7.933) 14.783 2.826 ( -4.361 1.579 5.326) 7.063 3.040 ( -1.850 8.031 -0.978) 8.299 3.217 ( -6.833 0.834 4.235) 8.082 3.435 ( -2.611 -2.404 -1.483) 3.847 3.724 ( 0.028 5.637 -2.277) 6.079 3.917 ( 6.228 -0.834 -5.463) 8.326 4.035 ( -0.213 -0.940 -5.362) 5.448 4.362 ( 3.385 -5.368 3.750) 7.371 4.693 ( -2.877 -1.178 -2.925) 4.268 4.991 ( -0.260 7.611 -1.616) 7.785 5.258 ( -2.673 4.025 -0.913) 4.918 5.368 ( -2.599 7.231 3.939) 8.635 5.610 ( -3.295 19.305 0.485) 19.590 6.292 ( -1.737 -9.347 2.124) 9.742 6.853 ( -6.752 -1.457 -1.677) 7.108 7.168 ( 10.949 3.726 0.088) 11.566 7.459 ( 4.094 -4.476 0.683) 6.104 7.627 ( 9.118 3.805 4.743) 10.960 7.985 ( -2.455 -4.091 -1.852) 5.118 8.689 ( -0.444 0.170 3.323) 3.357 8.792 ( 1.028 2.310 2.366) 3.463 8.813 ( 3.721 2.341 -5.491) 7.034 8.988 ( -4.770 -6.104 -7.646) 10.885 9.376 ( 1.533 6.311 -3.070) 7.184 9.765 ( -3.431 -3.637 5.270) 7.264 10.729 ( 0.187 6.080 -4.176) 7.378 11.185 ( 1.737 1.902 -7.417) 7.852 11.332 ( -8.946 6.093 -0.333) 10.829 11.431 ( -4.159 5.812 7.773) 10.559 12.107 ( 4.008 -3.014 -0.650) 5.057 12.431 ( -4.491 -4.805 0.838) 6.630 12.575 ( -0.534 -12.435 7.276) 14.417 12.875 ( -5.789 -8.180 -4.892) 11.151 13.925 ( -3.377 0.569 -0.401) 3.448 14.241 ( 1.679 1.897 -1.305) 2.850 14.465 ( 4.010 -0.185 -1.634) 4.334 15.084 ( 15.614 -5.803 5.084) 17.416 17.730 ( -4.057 5.033 -3.959) 7.580 17.938 ( -5.866 3.182 -0.622) 6.702 18.234 ( -7.657 -3.671 -2.109) 8.749 18.318 ( -1.571 -2.651 -1.317) 3.352 20.989 ( 1.496 1.920 3.240) 4.052 21.451 ( -7.056 -7.322 13.198) 16.661 21.792 ( 5.329 -3.139 3.783) 7.250 22.065 ( 0.544 -9.166 -11.153) 14.446 25.162 ( -0.913 6.232 -0.673) 6.335 25.429 ( 3.424 2.765 4.718) 6.452 25.559 ( 0.382 -1.831 -6.883) 7.132 25.913 ( 5.041 -10.103 1.149) 11.349 29.053 ( -3.121 0.139 -0.110) 3.126 29.089 ( -2.620 -0.822 0.059) 2.747 29.542 ( 2.274 1.729 0.760) 2.957 29.765 ( 5.832 -1.735 -0.010) 6.085 37.793 ( -8.008 0.888 0.161) 8.059 37.854 ( -8.848 -0.210 -0.440) 8.862 38.941 ( 4.607 -0.006 0.027) 4.607 38.962 ( 3.964 0.133 -0.018) 3.966 69.855 ( -3.209 8.470 0.800) 9.093 69.935 ( -3.632 7.141 0.429) 8.023 73.046 ( 8.172 40.564 -0.869) 41.388 75.542 ( 59.648 -5.326 -0.650) 59.889 ======================= Grid point 164 (80/168) ======================= q-point: (-0.09 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -3.786 19.924 -6.757) 21.377 1.693 ( -9.974 17.216 -2.966) 20.117 1.885 ( -7.261 4.376 -6.203) 10.505 2.182 ( -5.823 11.155 15.786) 20.187 2.568 ( -12.904 -3.695 3.558) 13.886 2.838 ( -2.532 1.690 5.684) 6.448 2.964 ( -2.581 5.680 -4.894) 7.930 3.121 ( -7.547 1.404 -0.121) 7.678 3.351 ( 0.317 -5.589 -7.293) 9.194 3.698 ( 0.271 -1.815 -6.842) 7.083 3.956 ( 4.534 -1.695 -1.127) 4.970 4.091 ( 5.181 2.710 5.288) 7.883 4.451 ( 4.336 -4.413 1.011) 6.268 4.614 ( -3.990 4.144 -0.795) 5.808 5.003 ( 1.124 6.168 0.962) 6.343 5.195 ( -1.962 5.520 -2.343) 6.310 5.353 ( -2.999 2.973 2.854) 5.097 5.601 ( -1.057 23.766 3.253) 24.011 6.275 ( -1.585 -10.677 -0.122) 10.794 6.745 ( -3.985 -0.006 0.056) 3.985 7.335 ( 7.669 0.203 -1.291) 7.779 7.490 ( 0.792 -8.080 -0.272) 8.123 7.774 ( 0.593 1.845 1.054) 2.206 7.927 ( 1.490 2.888 -1.995) 3.813 8.700 ( -5.190 0.196 2.660) 5.835 8.713 ( -1.363 1.945 0.441) 2.416 8.901 ( 4.705 -1.601 -5.762) 7.609 8.938 ( 5.933 1.161 -0.564) 6.072 9.375 ( 3.749 3.120 -4.446) 6.600 9.759 ( -6.733 -5.492 8.761) 12.339 10.711 ( 3.033 8.193 -4.205) 9.695 11.124 ( -0.215 -1.665 -7.238) 7.430 11.202 ( -6.161 14.706 1.584) 16.023 11.440 ( -2.510 10.150 2.947) 10.863 12.199 ( 5.108 -0.969 1.463) 5.401 12.370 ( -3.618 -5.107 2.847) 6.876 12.632 ( -0.231 -14.750 4.205) 15.339 12.719 ( -6.820 -8.547 -3.571) 11.503 13.885 ( -1.303 0.918 0.657) 1.724 14.239 ( 0.571 1.575 -2.416) 2.940 14.527 ( 3.156 0.179 2.280) 3.897 15.319 ( 8.711 -10.115 -2.207) 13.530 17.668 ( 0.325 5.173 -2.665) 5.828 17.845 ( -2.823 2.902 0.146) 4.051 18.053 ( -6.564 1.354 -2.739) 7.241 18.329 ( -1.430 -0.982 1.362) 2.205 21.056 ( 2.298 1.053 3.955) 4.694 21.467 ( -10.503 -8.697 18.391) 22.895 21.854 ( 1.904 -3.169 -6.157) 7.182 22.025 ( 4.267 -10.630 -1.768) 11.590 25.154 ( 0.046 6.940 0.276) 6.946 25.485 ( -1.044 0.453 -6.049) 6.156 25.546 ( 4.375 -0.184 5.284) 6.863 25.981 ( 2.361 -11.635 0.054) 11.873 29.014 ( -1.545 0.200 0.079) 1.560 29.055 ( -1.409 -0.881 -0.165) 1.670 29.584 ( 1.090 1.611 2.088) 2.853 29.838 ( 3.378 -2.974 -0.937) 4.597 37.694 ( -4.265 0.599 0.345) 4.321 37.734 ( -4.971 0.294 -0.389) 4.995 38.999 ( 2.408 -0.224 0.028) 2.419 39.010 ( 1.850 0.035 -0.024) 1.850 69.821 ( -2.017 7.997 0.912) 8.298 69.890 ( -2.380 6.739 0.377) 7.157 73.223 ( 6.892 42.095 11.558) 44.194 76.293 ( 39.612 -22.783 -21.586) 50.538 ======================= Grid point 165 (81/168) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 3.989 11.958 2.146) 12.787 1.817 ( 1.831 4.130 1.459) 4.747 1.972 ( 5.965 13.671 -5.438) 15.876 2.266 ( -3.579 -2.194 1.787) 4.562 2.471 ( -8.003 1.822 -1.556) 8.354 2.729 ( -5.531 -7.739 -10.107) 13.880 2.974 ( 2.104 2.894 -3.201) 4.801 3.057 ( 2.402 1.121 -2.011) 3.328 3.300 ( -0.375 4.427 3.228) 5.492 3.593 ( 2.380 -5.079 -1.827) 5.899 4.051 ( 3.130 1.118 5.088) 6.077 4.156 ( 0.563 -3.079 4.063) 5.129 4.486 ( -0.615 1.765 5.064) 5.398 4.631 ( 0.013 -2.038 3.917) 4.416 5.066 ( -1.325 2.997 -1.995) 3.836 5.193 ( -0.245 -1.788 -4.314) 4.676 5.566 ( 1.893 13.357 5.759) 14.668 6.042 ( -0.288 -10.896 1.653) 11.024 6.099 ( -1.701 24.155 2.179) 24.313 6.707 ( 0.093 -3.905 -0.401) 3.926 7.274 ( -3.796 -3.196 -2.158) 5.411 7.346 ( 2.400 -6.787 -1.598) 7.374 7.810 ( -1.450 5.349 -2.753) 6.188 7.982 ( -0.035 -1.839 -1.359) 2.287 8.675 ( -2.291 2.241 0.799) 3.302 8.737 ( 1.854 -0.464 0.686) 2.030 8.961 ( 2.402 0.112 1.201) 2.688 8.996 ( 3.224 -0.859 0.395) 3.360 9.437 ( 2.301 1.867 -2.953) 4.184 9.584 ( -6.164 -5.099 0.258) 8.004 10.886 ( 7.244 5.281 -7.424) 11.639 11.024 ( 3.892 -2.621 -9.361) 10.471 11.438 ( -7.954 16.668 8.313) 20.253 11.746 ( 3.149 17.423 -1.748) 17.791 12.210 ( -2.952 -19.353 4.062) 19.994 12.274 ( -7.421 -3.290 4.120) 9.103 12.317 ( 5.845 -3.359 4.575) 8.147 12.512 ( -1.658 -6.823 1.083) 7.105 13.949 ( 2.637 4.255 -0.139) 5.008 14.178 ( 2.629 -5.073 -3.883) 6.908 14.676 ( -0.867 6.952 4.242) 8.190 15.075 ( -3.746 -11.376 -5.037) 12.993 17.780 ( 3.184 4.771 1.486) 5.925 17.917 ( 5.292 -1.519 4.556) 7.146 18.046 ( -2.477 4.989 -2.680) 6.181 18.238 ( -3.289 -3.326 -2.971) 5.542 21.168 ( 1.155 2.375 5.309) 5.930 21.321 ( -7.451 -5.581 11.770) 15.007 21.745 ( -0.257 -0.289 -6.882) 6.892 21.910 ( 4.895 -9.169 -0.928) 10.435 25.295 ( 0.260 6.006 1.380) 6.168 25.447 ( -0.636 0.025 -1.485) 1.615 25.606 ( 1.254 -0.753 1.699) 2.242 25.783 ( -0.361 -8.688 -1.374) 8.803 29.009 ( 0.081 0.280 0.222) 0.366 29.026 ( -0.022 -0.634 -0.131) 0.648 29.652 ( -0.210 2.517 1.449) 2.912 29.781 ( -0.040 -3.638 -1.308) 3.866 37.673 ( -0.066 0.681 0.251) 0.728 37.694 ( 0.116 -0.183 -0.167) 0.274 39.015 ( -0.049 -0.004 0.089) 0.102 39.023 ( 0.048 -0.183 -0.089) 0.209 69.943 ( -0.171 5.180 0.795) 5.244 69.973 ( -0.432 3.719 0.250) 3.752 74.252 ( 1.022 40.139 11.382) 41.734 75.734 ( -0.801 -33.120 -20.978) 39.213 ======================= Grid point 166 (82/168) ======================= q-point: ( 0.09 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 13.307 9.062 -2.968) 16.370 1.964 ( 12.631 7.760 1.420) 14.892 2.043 ( 5.808 13.382 -2.534) 14.806 2.193 ( 2.774 -1.157 -6.123) 6.821 2.311 ( -5.253 -7.314 -2.398) 9.319 2.612 ( -2.223 -8.199 -0.638) 8.519 3.032 ( 5.390 2.107 -1.450) 5.966 3.150 ( 11.525 2.308 -3.013) 12.134 3.321 ( -1.364 5.735 3.848) 7.039 3.642 ( 4.846 -4.634 -0.600) 6.732 4.101 ( -2.953 3.071 -0.348) 4.275 4.122 ( -3.436 1.017 -1.110) 3.752 4.531 ( -3.279 1.746 10.151) 10.810 4.709 ( 2.390 -4.582 6.824) 8.560 5.021 ( -0.443 3.044 -3.926) 4.987 5.145 ( 1.005 -1.939 -6.183) 6.557 5.691 ( 4.089 11.778 8.975) 15.362 5.996 ( 1.166 9.312 -6.625) 11.488 6.186 ( 0.126 3.799 13.738) 14.254 6.703 ( 1.193 -6.016 -3.215) 6.925 7.214 ( -0.976 0.740 -0.891) 1.515 7.340 ( 1.500 -1.782 -4.844) 5.374 7.761 ( -3.494 1.620 0.963) 3.970 7.919 ( -4.599 -4.125 -2.975) 6.857 8.646 ( -2.026 4.237 -0.144) 4.699 8.785 ( 3.330 -1.599 -0.439) 3.720 8.982 ( -0.746 -0.291 0.973) 1.260 9.027 ( -0.848 -0.757 0.899) 1.449 9.427 ( -3.928 -0.933 -2.183) 4.589 9.534 ( 3.943 -4.791 -0.515) 6.226 10.948 ( 9.312 2.639 -7.926) 12.509 11.010 ( 5.898 -1.254 -9.485) 11.240 11.368 ( -9.212 15.923 6.616) 19.549 11.784 ( 0.304 17.383 2.545) 17.571 12.101 ( -7.536 -15.847 0.981) 17.575 12.277 ( -2.571 -1.896 6.470) 7.216 12.428 ( 0.810 -1.982 4.866) 5.316 12.567 ( 7.560 -11.664 -0.893) 13.928 14.008 ( 4.085 4.340 0.275) 5.966 14.177 ( 2.609 -2.557 -4.852) 6.073 14.701 ( -2.747 1.934 6.682) 7.479 14.913 ( -8.226 -7.276 -5.229) 12.163 17.886 ( 5.650 6.443 3.998) 9.456 17.935 ( -2.156 5.654 -4.318) 7.434 18.099 ( 0.954 -3.201 -0.638) 3.401 18.174 ( 5.841 -6.050 0.030) 8.410 21.231 ( -1.577 1.155 6.470) 6.759 21.308 ( -6.920 -3.881 10.319) 13.017 21.665 ( -0.904 2.694 -6.889) 7.452 21.992 ( 6.061 -13.237 -0.845) 14.583 25.311 ( -0.408 5.809 1.677) 6.060 25.410 ( -1.604 2.621 -2.014) 3.674 25.644 ( 0.490 -4.216 2.642) 4.999 25.743 ( -2.186 -7.636 -2.300) 8.269 29.025 ( 1.553 0.152 0.266) 1.583 29.036 ( 1.437 -0.413 -0.209) 1.510 29.650 ( -1.914 1.685 1.774) 3.106 29.747 ( -2.280 -2.871 -1.550) 3.981 37.712 ( 4.424 0.735 0.284) 4.493 37.734 ( 4.867 -0.327 -0.223) 4.883 38.997 ( -2.180 0.100 0.088) 2.185 39.008 ( -1.857 -0.213 -0.089) 1.871 69.967 ( 1.884 4.986 1.087) 5.440 69.987 ( 2.011 3.990 0.104) 4.470 74.320 ( -9.562 30.119 15.621) 35.250 75.311 ( -21.095 -18.109 -24.096) 36.791 ======================= Grid point 167 (83/168) ======================= q-point: ( 0.18 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.991 1.333 -14.995) 15.087 1.999 ( -4.074 -2.290 -0.073) 4.674 2.230 ( 12.480 12.499 -5.963) 18.642 2.367 ( 12.469 3.201 10.098) 16.361 2.439 ( 19.743 -0.644 -0.447) 19.758 2.611 ( 2.292 -5.215 0.964) 5.777 3.058 ( -1.047 0.500 -1.859) 2.192 3.218 ( -0.767 -3.061 -6.313) 7.058 3.443 ( 11.743 10.626 6.179) 16.999 3.718 ( 5.474 -0.989 -4.529) 7.173 3.990 ( -3.091 1.345 0.324) 3.386 4.068 ( -5.203 -1.161 -0.226) 5.336 4.549 ( -4.619 5.742 6.140) 9.592 4.819 ( 3.217 -6.125 4.661) 8.342 4.977 ( 0.235 3.629 -3.862) 5.304 5.103 ( 0.865 -1.765 -5.730) 6.058 5.874 ( 5.561 10.077 12.047) 16.661 5.993 ( 6.976 12.737 -6.288) 15.825 6.338 ( 0.012 -0.627 14.094) 14.108 6.687 ( 3.175 -6.568 -5.568) 9.178 7.228 ( 2.081 6.302 0.506) 6.656 7.329 ( 1.395 4.431 -1.399) 4.851 7.679 ( -8.723 -1.253 1.216) 8.896 7.812 ( -3.587 -8.140 -2.680) 9.291 8.596 ( -3.210 5.882 -1.470) 6.860 8.818 ( 0.894 -2.652 -1.224) 3.054 8.942 ( -3.902 0.779 -1.728) 4.338 9.010 ( -0.613 -5.595 -0.271) 5.635 9.338 ( -1.789 4.428 -3.049) 5.666 9.632 ( 4.243 -8.590 3.686) 10.265 11.019 ( 7.377 0.693 -9.488) 12.038 11.023 ( 7.728 -0.144 -8.011) 11.132 11.295 ( -5.019 12.566 3.828) 14.062 11.738 ( -9.998 2.124 3.518) 10.809 12.082 ( 2.615 -1.771 3.184) 4.484 12.288 ( -3.232 1.124 5.658) 6.612 12.465 ( -0.655 -1.530 3.118) 3.534 12.687 ( 7.473 -13.475 -1.014) 15.442 14.070 ( 3.952 3.849 -2.220) 5.946 14.178 ( 3.596 -1.453 -4.397) 5.863 14.676 ( -7.823 0.503 2.314) 8.173 14.775 ( -5.712 -4.736 4.014) 8.437 17.855 ( -0.464 5.114 -5.906) 7.826 17.986 ( -0.258 0.609 -2.307) 2.400 18.065 ( 4.628 4.358 1.767) 6.598 18.365 ( 9.932 -8.903 2.840) 13.638 21.213 ( -7.899 0.834 7.129) 10.673 21.320 ( -3.090 -4.618 6.375) 8.457 21.593 ( 0.301 7.245 -5.544) 9.128 22.084 ( 6.034 -16.616 -1.090) 17.712 25.299 ( -2.368 5.473 -0.308) 5.972 25.372 ( -0.993 2.827 -0.208) 3.004 25.670 ( -0.521 -5.641 2.401) 6.153 25.674 ( -3.018 -5.325 -2.568) 6.637 29.063 ( 2.822 0.046 0.038) 2.823 29.070 ( 2.867 -0.269 -0.115) 2.882 29.624 ( -3.468 0.869 1.710) 3.963 29.681 ( -3.947 -1.877 -1.275) 4.552 37.820 ( 8.274 0.841 0.263) 8.321 37.843 ( 8.627 -0.352 -0.278) 8.639 38.945 ( -4.278 0.310 0.095) 4.290 38.960 ( -3.929 -0.228 -0.096) 3.937 70.021 ( 3.270 4.888 1.050) 5.974 70.041 ( 4.185 3.992 0.259) 5.789 74.244 ( -18.779 19.158 16.123) 31.299 74.657 ( -29.251 -0.521 -20.503) 35.725 ======================= Grid point 168 (84/168) ======================= q-point: ( 0.27 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 3.162 0.226 -8.543) 9.112 1.948 ( -1.714 -7.745 -0.683) 7.962 2.356 ( 8.255 12.130 -0.270) 14.675 2.572 ( -1.085 7.783 8.304) 11.433 2.695 ( 13.399 -0.190 -6.493) 14.890 2.769 ( 12.429 -2.521 0.183) 12.683 2.989 ( -3.285 -2.929 -1.832) 4.767 3.143 ( -0.269 -3.835 2.619) 4.652 3.612 ( 2.004 9.166 -5.256) 10.755 3.793 ( 10.631 4.706 5.294) 12.774 3.944 ( -6.672 -4.059 -3.236) 8.454 4.058 ( 4.386 -4.384 2.567) 6.712 4.522 ( -1.661 10.848 0.641) 10.993 4.868 ( 2.832 -3.118 -4.613) 6.246 4.977 ( -0.144 1.227 1.672) 2.079 5.071 ( 0.627 -3.039 -0.572) 3.155 6.068 ( 10.694 10.266 -3.230) 15.172 6.137 ( 9.097 13.439 10.101) 19.115 6.407 ( 0.119 -1.334 -0.469) 1.419 6.735 ( 4.867 -8.378 1.446) 9.797 7.244 ( -2.839 12.134 -0.323) 12.466 7.320 ( -4.096 9.668 1.622) 10.624 7.574 ( -3.784 -3.745 3.879) 6.587 7.741 ( -1.471 -10.347 -3.714) 11.092 8.523 ( -3.272 6.315 -1.352) 7.240 8.753 ( -5.403 -1.765 -3.492) 6.670 8.869 ( -3.281 0.952 -0.209) 3.423 9.016 ( 3.270 -10.980 -2.363) 11.697 9.315 ( 0.168 8.993 0.019) 8.995 9.724 ( 1.464 -9.718 5.163) 11.101 10.989 ( 0.125 2.097 -6.357) 6.695 11.086 ( 6.867 -2.193 -6.485) 9.697 11.301 ( 4.713 6.182 -2.382) 8.131 11.589 ( -8.354 -5.446 -0.391) 9.980 12.158 ( -3.362 3.897 8.942) 10.318 12.309 ( 0.588 2.468 4.567) 5.224 12.479 ( -0.069 -1.185 1.900) 2.240 12.790 ( 6.409 -12.547 -0.905) 14.118 14.072 ( 1.234 3.831 -6.061) 7.276 14.213 ( 4.503 -2.343 -3.105) 5.951 14.563 ( -6.801 3.094 1.916) 7.713 14.736 ( -6.850 -4.917 6.236) 10.488 17.810 ( 1.445 4.649 -4.422) 6.577 17.952 ( 1.390 -2.150 -2.562) 3.622 18.188 ( 5.017 7.056 3.104) 9.198 18.520 ( 6.975 -9.317 0.114) 11.639 21.144 ( -8.056 1.847 6.079) 10.259 21.301 ( -3.810 -5.692 1.628) 7.040 21.579 ( 1.790 10.005 -1.416) 10.262 22.160 ( 5.249 -18.544 -2.518) 19.437 25.240 ( -3.176 5.327 -1.121) 6.303 25.365 ( -0.760 0.593 0.883) 1.307 25.603 ( -2.418 -1.827 -2.124) 3.701 25.674 ( -1.304 -5.578 1.423) 5.903 29.118 ( 4.066 0.017 -0.133) 4.069 29.125 ( 3.876 -0.285 -0.055) 3.887 29.571 ( -4.560 0.349 0.907) 4.662 29.597 ( -5.116 -1.032 -0.424) 5.236 37.980 ( 10.783 0.939 0.095) 10.824 38.004 ( 11.009 -0.206 -0.159) 11.012 38.859 ( -6.361 0.532 0.089) 6.384 38.877 ( -6.078 -0.205 -0.081) 6.082 70.092 ( 4.109 4.927 0.896) 6.478 70.118 ( 4.657 3.748 0.112) 5.979 74.016 ( -26.525 12.460 -13.660) 32.333 74.040 ( -23.012 11.476 12.504) 28.593 ======================= Grid point 169 (85/168) ======================= q-point: ( 0.36 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.709 3.101 2.461) 4.021 1.942 ( 5.113 -5.804 -2.836) 8.238 2.471 ( 3.303 7.669 1.321) 8.453 2.623 ( 1.516 9.108 6.097) 11.065 2.725 ( 0.353 -3.081 -2.042) 3.713 2.837 ( -1.128 -5.974 -3.722) 7.129 3.045 ( 5.479 3.358 8.934) 11.005 3.275 ( 4.139 -2.725 6.824) 8.434 3.574 ( 2.072 2.842 -3.872) 5.231 3.788 ( -6.078 -6.250 -6.215) 10.706 4.031 ( 8.842 3.791 5.892) 11.281 4.096 ( 0.602 1.386 -3.477) 3.792 4.525 ( 2.109 11.473 -1.974) 11.831 4.872 ( 3.014 -2.793 -3.056) 5.121 4.967 ( -1.009 3.457 1.117) 3.770 5.122 ( 1.802 -6.650 3.566) 7.758 6.192 ( 11.963 9.106 -10.756) 18.486 6.280 ( -0.388 10.967 -6.418) 12.713 6.479 ( 11.411 0.849 5.381) 12.644 6.821 ( 2.119 -8.189 2.316) 8.770 7.099 ( -9.288 13.499 -2.148) 16.526 7.249 ( -10.387 8.644 5.301) 14.515 7.601 ( 2.228 -2.539 0.093) 3.379 7.724 ( 2.101 -6.959 0.510) 7.287 8.483 ( -0.989 6.203 1.006) 6.361 8.634 ( -3.769 0.624 -3.568) 5.228 8.810 ( -4.633 0.584 1.382) 4.869 9.066 ( 4.456 -14.297 -1.038) 15.012 9.326 ( -0.397 11.299 2.225) 11.523 9.782 ( -0.764 -8.885 5.363) 10.406 10.918 ( -1.715 2.108 -4.697) 5.427 11.096 ( 0.693 -5.520 -3.509) 6.578 11.386 ( 9.111 0.468 -5.563) 10.685 11.494 ( 1.709 -5.313 -6.161) 8.313 12.149 ( -8.738 3.973 11.526) 15.000 12.351 ( -5.179 -3.302 8.754) 10.694 12.537 ( 5.858 3.991 0.714) 7.124 12.879 ( 5.705 -10.145 -1.662) 11.757 13.999 ( -1.314 5.587 -7.630) 9.548 14.233 ( 1.588 -3.986 -4.031) 5.887 14.504 ( -2.816 3.305 2.011) 4.785 14.673 ( -6.301 -4.072 3.591) 8.317 17.820 ( 2.707 5.045 -0.461) 5.744 17.985 ( 3.289 -3.218 0.513) 4.629 18.272 ( 2.370 6.862 1.309) 7.377 18.596 ( 4.026 -9.096 -2.462) 10.247 21.077 ( -6.772 2.840 5.156) 8.973 21.251 ( -2.366 -4.858 -0.450) 5.422 21.603 ( 1.120 9.865 0.708) 9.953 22.200 ( 3.992 -18.900 -4.956) 19.943 25.190 ( -2.162 5.168 0.371) 5.614 25.361 ( -0.853 -2.309 1.100) 2.696 25.556 ( -1.140 1.201 -1.703) 2.376 25.657 ( -1.438 -4.599 -0.002) 4.819 29.192 ( 4.287 -0.181 -0.067) 4.292 29.193 ( 5.054 -0.191 -0.048) 5.058 29.492 ( -5.115 0.303 -0.600) 5.159 29.511 ( -5.529 -0.599 0.818) 5.622 38.165 ( 11.552 1.093 -0.145) 11.605 38.191 ( 11.651 -0.084 0.080) 11.651 38.740 ( -8.137 0.717 0.017) 8.169 38.761 ( -7.972 -0.199 0.007) 7.975 70.166 ( 3.690 4.755 0.684) 6.057 70.184 ( 3.341 3.922 -0.421) 5.169 73.552 ( -16.458 18.793 -7.099) 25.970 73.778 ( -20.197 8.522 7.369) 23.127 ======================= Grid point 170 (86/168) ======================= q-point: ( 0.45 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -1.129 6.699 6.952) 9.720 2.093 ( 9.278 -8.116 6.333) 13.858 2.482 ( -1.517 4.266 -0.762) 4.592 2.707 ( -2.336 -6.051 1.125) 6.583 2.735 ( 1.740 9.083 6.882) 11.528 2.850 ( 2.621 2.372 7.814) 8.577 3.187 ( -1.100 -0.433 8.874) 8.952 3.325 ( -1.718 2.776 2.338) 4.015 3.595 ( -0.626 -5.320 -3.616) 6.463 3.671 ( 3.353 -4.073 -5.508) 7.627 4.029 ( -2.382 7.758 -4.240) 9.156 4.184 ( 3.583 -0.419 3.535) 5.050 4.519 ( 0.676 11.003 -5.025) 12.115 4.897 ( 1.827 -3.355 -0.624) 3.871 5.002 ( 2.156 3.690 4.000) 5.854 5.168 ( -0.469 -7.044 3.425) 7.847 6.122 ( -2.550 7.705 -17.860) 19.617 6.202 ( 5.599 2.882 -17.636) 18.726 6.723 ( 8.799 6.330 5.374) 12.098 6.851 ( 0.740 6.439 -0.097) 6.482 6.957 ( -7.094 6.296 1.673) 9.631 7.122 ( -7.813 0.087 2.746) 8.282 7.632 ( 2.237 0.874 -0.872) 2.555 7.782 ( 0.902 -5.445 3.548) 6.561 8.505 ( 1.081 5.652 2.013) 6.096 8.578 ( 0.956 2.367 -2.549) 3.608 8.759 ( -4.375 1.240 4.339) 6.285 9.126 ( 2.787 -15.368 0.349) 15.622 9.349 ( -0.457 12.025 4.170) 12.736 9.807 ( -2.372 -7.616 4.973) 9.400 10.851 ( -0.422 1.710 -4.781) 5.095 11.073 ( 0.368 -8.281 -1.477) 8.420 11.415 ( 3.022 0.306 -6.477) 7.154 11.554 ( 12.387 -7.059 -9.780) 17.289 12.124 ( -9.113 3.681 13.152) 16.418 12.333 ( -8.451 -5.924 11.789) 15.669 12.641 ( 3.851 5.066 2.219) 6.739 12.927 ( 2.428 -7.621 -2.954) 8.527 13.912 ( 1.653 6.460 -8.388) 10.715 14.182 ( -0.698 -4.065 -6.487) 7.688 14.500 ( -0.207 1.491 1.314) 1.998 14.613 ( -4.006 -2.583 1.537) 5.008 17.885 ( 2.745 4.963 4.036) 6.961 18.049 ( 1.731 -3.492 3.143) 5.007 18.290 ( -0.481 6.611 -0.820) 6.679 18.610 ( 1.980 -9.144 -4.499) 10.381 21.029 ( -4.841 3.800 4.332) 7.526 21.225 ( -0.331 -4.859 -0.275) 4.878 21.622 ( 0.044 9.389 1.226) 9.469 22.190 ( 2.487 -17.801 -7.537) 19.490 25.184 ( -0.305 4.741 2.549) 5.391 25.363 ( -0.606 -3.631 1.673) 4.043 25.530 ( 0.142 2.221 -1.927) 2.944 25.630 ( -0.881 -3.611 -1.457) 3.993 29.257 ( 3.155 0.169 0.167) 3.164 29.276 ( 4.494 -0.762 0.185) 4.562 29.405 ( -4.093 0.741 -0.583) 4.200 29.434 ( -4.119 -0.584 0.148) 4.163 38.340 ( 9.023 1.238 -0.177) 9.109 38.366 ( 7.966 0.124 0.110) 7.968 38.607 ( -6.714 0.691 -0.064) 6.749 38.627 ( -7.623 -0.273 0.121) 7.628 70.208 ( 0.477 4.945 -0.258) 4.975 70.222 ( 1.955 4.164 -0.253) 4.607 73.359 ( -1.805 18.806 -1.026) 18.920 73.558 ( -11.502 9.852 1.844) 15.256 ======================= Grid point 171 (87/168) ======================= q-point: (-0.45 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 2.738 7.786 12.207) 14.735 2.274 ( 2.609 -9.101 5.631) 11.015 2.426 ( -4.019 1.869 0.515) 4.462 2.657 ( -5.493 -8.383 2.458) 10.319 2.869 ( 4.413 11.811 10.262) 16.257 2.993 ( 0.773 7.790 7.367) 10.749 3.184 ( -4.726 -1.232 8.549) 9.846 3.290 ( -4.483 -3.329 -1.980) 5.925 3.549 ( 2.758 0.835 -4.420) 5.276 3.713 ( 3.904 -0.118 -2.299) 4.532 3.959 ( -3.003 5.934 -0.301) 6.657 4.227 ( -2.295 -4.130 2.889) 5.538 4.440 ( -2.022 11.175 -7.963) 13.871 4.891 ( -0.031 -6.553 -5.897) 8.816 5.102 ( 2.132 2.810 7.965) 8.711 5.198 ( -0.950 -3.145 6.879) 7.623 5.865 ( -4.614 8.526 -19.973) 22.201 6.068 ( 2.053 -1.053 -19.345) 19.482 6.676 ( -14.010 11.640 2.188) 18.346 6.934 ( 2.003 1.802 2.164) 3.456 6.966 ( 6.149 7.858 -1.466) 10.085 7.091 ( 4.890 -1.093 0.846) 5.082 7.626 ( -5.305 0.834 1.772) 5.655 7.816 ( 1.024 -6.271 1.490) 6.526 8.549 ( 3.462 3.974 -0.145) 5.272 8.607 ( 4.924 3.072 -2.511) 6.323 8.768 ( -2.613 2.028 8.546) 9.164 9.149 ( -0.299 -14.327 -0.310) 14.333 9.399 ( -0.104 11.269 6.793) 13.159 9.805 ( -3.223 -6.178 3.975) 8.022 10.818 ( 2.518 2.635 -4.940) 6.139 11.092 ( 3.630 -9.595 -1.229) 10.332 11.391 ( 2.313 2.584 -7.122) 7.921 11.626 ( 7.503 -8.761 -9.944) 15.229 12.113 ( -8.151 3.812 13.091) 15.885 12.324 ( -7.638 -6.177 12.436) 15.847 12.681 ( -2.888 3.593 3.690) 5.905 12.899 ( -1.285 -6.237 -3.303) 7.173 13.913 ( 8.381 4.961 -8.137) 12.691 14.118 ( 2.934 -3.076 -8.513) 9.515 14.505 ( -1.088 0.828 0.914) 1.645 14.574 ( -2.159 -1.801 1.365) 3.125 17.980 ( 1.729 3.622 7.288) 8.320 18.091 ( -1.523 -2.267 4.679) 5.418 18.242 ( -2.894 6.703 -2.961) 7.879 18.574 ( 0.004 -9.719 -6.210) 11.534 21.006 ( -2.751 4.682 3.481) 6.451 21.234 ( 1.097 -5.822 0.582) 5.953 21.632 ( -0.456 8.549 1.792) 8.747 22.136 ( 1.284 -15.646 -9.132) 18.162 25.226 ( 1.181 4.105 4.030) 5.873 25.367 ( -0.938 -1.860 1.137) 2.373 25.529 ( 2.163 0.218 -1.431) 2.603 25.603 ( 0.080 -3.091 -2.579) 4.027 29.267 ( -3.041 0.118 0.515) 3.086 29.276 ( -4.329 -0.285 0.022) 4.338 29.407 ( 3.022 0.156 -0.675) 3.100 29.420 ( 4.650 -0.261 -0.008) 4.657 38.342 ( -9.274 1.159 -0.160) 9.348 38.364 ( -7.545 0.207 0.094) 7.549 38.606 ( 6.413 0.568 -0.065) 6.439 38.628 ( 7.805 -0.201 0.128) 7.809 70.187 ( -2.332 5.863 -0.401) 6.322 70.228 ( -0.965 3.929 -0.389) 4.064 73.449 ( 1.668 15.053 -1.761) 15.247 73.484 ( 12.512 13.231 2.894) 18.439 ======================= Grid point 172 (88/168) ======================= q-point: (-0.36 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 2.670 8.536 7.317) 11.556 2.242 ( -6.587 4.120 0.021) 7.769 2.409 ( -2.948 -5.488 3.469) 7.131 2.598 ( -7.618 -10.262 9.049) 15.659 2.877 ( -5.452 6.749 -5.275) 10.153 3.092 ( 0.585 11.941 12.122) 17.026 3.121 ( -11.435 -5.269 -1.360) 12.664 3.310 ( 3.123 -0.116 9.043) 9.568 3.534 ( 0.046 7.227 -6.225) 9.538 3.782 ( 6.166 -0.031 0.430) 6.181 3.932 ( -1.529 1.831 3.350) 4.113 4.149 ( -8.440 -0.558 -1.200) 8.543 4.336 ( -2.236 5.224 -4.096) 7.004 4.773 ( -2.974 -9.776 -10.882) 14.928 5.193 ( -1.884 3.520 7.620) 8.603 5.274 ( 0.183 0.576 7.339) 7.364 5.634 ( -1.390 9.513 -13.475) 16.553 5.928 ( 2.870 -3.066 -15.327) 15.892 6.466 ( -13.762 10.627 2.898) 17.627 6.868 ( -4.745 -6.198 -0.525) 7.823 7.120 ( 9.797 10.294 -0.799) 14.233 7.262 ( 12.562 4.205 0.889) 13.277 7.497 ( -9.916 0.904 0.093) 9.958 7.845 ( 0.212 -8.933 1.681) 9.093 8.614 ( 4.481 2.927 -0.590) 5.385 8.674 ( 6.813 2.333 -3.744) 8.116 8.820 ( -1.825 1.467 8.004) 8.339 9.106 ( -3.419 -11.490 -2.158) 12.181 9.470 ( -0.900 9.807 8.535) 13.032 9.782 ( -3.427 -4.487 2.376) 6.125 10.832 ( 5.134 4.925 -5.591) 9.049 11.157 ( 5.912 -9.106 -2.703) 11.189 11.359 ( 2.171 4.119 -5.197) 6.978 11.602 ( 0.701 -7.342 -7.265) 10.353 12.110 ( -6.444 3.469 9.561) 12.040 12.307 ( -8.965 -6.015 10.672) 15.181 12.633 ( -5.518 2.340 2.124) 6.359 12.848 ( -2.169 -7.571 -0.728) 7.909 13.988 ( 8.521 2.774 -7.598) 11.749 14.124 ( 7.271 -2.392 -7.323) 10.593 14.481 ( -1.751 2.411 0.446) 3.013 14.592 ( 1.843 -2.595 3.427) 4.677 18.066 ( -1.027 1.862 4.530) 5.004 18.092 ( -4.036 0.364 5.291) 6.665 18.155 ( -2.700 6.085 -1.313) 6.785 18.482 ( -3.017 -9.995 -7.433) 12.816 21.006 ( -0.996 5.262 2.632) 5.968 21.264 ( 0.916 -7.069 1.783) 7.347 21.650 ( 0.209 6.843 2.616) 7.329 22.059 ( 0.650 -12.940 -9.294) 15.945 25.286 ( 0.810 3.729 3.294) 5.041 25.357 ( -0.243 1.254 0.263) 1.304 25.562 ( 2.158 -2.821 -2.273) 4.217 25.596 ( 2.774 -3.353 -0.855) 4.435 29.194 ( -4.917 0.024 -0.073) 4.917 29.201 ( -4.764 -0.226 0.157) 4.772 29.464 ( 4.397 1.257 -0.547) 4.606 29.521 ( 6.389 -1.241 0.409) 6.522 38.160 ( -11.705 1.334 -0.193) 11.782 38.197 ( -11.464 -0.425 0.138) 11.473 38.737 ( 8.133 0.803 -0.042) 8.173 38.765 ( 7.961 -0.292 0.070) 7.966 70.131 ( -3.999 6.342 -0.061) 7.498 70.185 ( -3.569 3.879 -0.318) 5.280 73.490 ( 8.981 22.721 -4.715) 24.882 73.897 ( 29.694 3.818 6.051) 30.543 ======================= Grid point 173 (89/168) ======================= q-point: (-0.27 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -3.807 10.100 -8.756) 13.899 2.202 ( -3.182 7.939 4.130) 9.498 2.336 ( -5.214 -2.725 -2.468) 6.380 2.551 ( -12.600 -5.199 7.972) 15.790 2.747 ( -8.306 2.600 3.046) 9.221 2.912 ( -12.022 -2.937 4.819) 13.281 3.191 ( 0.529 10.398 5.754) 11.895 3.346 ( -5.687 4.726 -0.252) 7.399 3.471 ( -2.437 1.884 0.672) 3.153 3.820 ( 1.359 -8.417 -7.987) 11.683 3.970 ( -5.393 5.923 -5.905) 9.952 4.015 ( 0.961 0.077 6.948) 7.015 4.281 ( -1.315 2.778 0.082) 3.075 4.638 ( -1.479 -9.743 -6.061) 11.570 5.170 ( -4.243 5.584 0.131) 7.014 5.309 ( -1.747 -0.252 2.148) 2.780 5.572 ( 0.949 9.787 -1.814) 9.999 5.875 ( 4.016 -1.138 -6.774) 7.957 6.306 ( -9.792 9.857 4.229) 14.524 6.808 ( -2.675 -9.551 0.373) 9.926 7.229 ( 3.486 9.550 -2.445) 10.456 7.375 ( -3.102 0.238 1.610) 3.503 7.489 ( 13.291 4.590 1.522) 14.144 7.859 ( 0.273 -9.467 1.220) 9.549 8.670 ( 2.571 1.807 -0.033) 3.143 8.751 ( 7.321 0.921 -4.314) 8.547 8.847 ( -2.156 0.799 3.566) 4.243 9.005 ( -4.874 -7.040 -3.308) 9.180 9.522 ( -2.045 8.221 5.955) 10.355 9.742 ( -4.061 -2.905 2.313) 5.503 10.860 ( 5.570 7.124 -7.147) 11.526 11.188 ( 2.714 -6.299 -6.487) 9.440 11.403 ( 8.122 4.137 -2.093) 9.352 11.535 ( -3.130 -2.167 -0.577) 3.850 12.082 ( -4.912 1.446 3.721) 6.329 12.255 ( -9.140 -8.142 10.186) 15.924 12.562 ( -5.169 2.027 1.262) 5.694 12.802 ( -3.708 -8.887 0.057) 9.630 14.006 ( 2.144 2.619 -5.898) 6.800 14.174 ( 5.721 -4.317 -6.429) 9.628 14.490 ( 1.844 5.474 1.945) 6.095 14.717 ( 8.204 -4.897 5.384) 10.967 17.966 ( -5.971 5.374 -5.101) 9.516 18.064 ( -4.340 1.327 1.601) 4.813 18.199 ( 0.045 0.595 7.445) 7.468 18.337 ( -5.587 -7.727 -6.020) 11.277 21.023 ( 0.158 5.273 2.136) 5.691 21.292 ( -1.080 -7.647 3.798) 8.606 21.694 ( 1.841 3.771 2.769) 5.028 21.978 ( 0.337 -9.981 -8.487) 13.106 25.292 ( -0.817 4.599 -0.496) 4.697 25.392 ( 1.864 1.036 2.479) 3.269 25.555 ( 1.476 -1.399 -3.359) 3.927 25.665 ( 4.335 -5.957 0.841) 7.415 29.117 ( -4.235 0.129 -0.115) 4.238 29.129 ( -3.958 -0.468 -0.013) 3.985 29.530 ( 3.936 2.222 -0.105) 4.521 29.627 ( 5.904 -2.150 0.376) 6.294 37.971 ( -10.829 1.289 -0.081) 10.905 38.011 ( -10.987 -0.610 0.001) 11.003 38.857 ( 6.389 0.610 0.024) 6.418 38.880 ( 6.038 -0.285 -0.009) 6.044 70.062 ( -4.380 6.226 0.298) 7.618 70.115 ( -4.601 3.848 0.115) 5.999 73.639 ( 14.203 32.369 -4.212) 35.598 74.533 ( 39.647 -9.674 5.226) 41.143 ======================= Grid point 174 (90/168) ======================= q-point: (-0.18 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -4.038 12.940 -8.118) 15.800 2.116 ( -6.726 4.238 -4.852) 9.314 2.190 ( -10.421 3.925 -3.774) 11.758 2.354 ( -13.822 -0.510 3.903) 14.372 2.657 ( -9.139 2.803 9.492) 13.471 2.855 ( -3.708 -0.305 3.866) 5.365 3.201 ( -6.861 5.662 -1.072) 8.960 3.243 ( -3.278 6.140 5.406) 8.813 3.398 ( -6.962 -2.093 -2.898) 7.826 3.701 ( -3.783 -11.006 -7.569) 13.882 3.886 ( 2.157 3.631 -4.658) 6.288 4.033 ( -0.588 -1.946 -0.037) 2.034 4.339 ( 3.747 3.646 4.312) 6.777 4.610 ( 0.272 -6.681 0.278) 6.692 5.113 ( -1.676 5.472 -0.653) 5.760 5.278 ( -2.057 -1.539 -0.976) 2.748 5.557 ( -2.433 11.251 0.538) 11.523 5.911 ( 3.669 1.674 0.384) 4.051 6.222 ( -5.794 9.675 3.373) 11.770 6.768 ( -2.926 -8.021 0.032) 8.538 7.231 ( 1.520 3.518 0.261) 3.841 7.391 ( 0.279 -2.752 0.141) 2.769 7.707 ( 9.846 4.099 2.816) 11.031 7.893 ( 3.363 -5.159 -0.329) 6.167 8.698 ( -0.216 1.089 1.934) 2.230 8.798 ( -0.333 -2.727 -3.332) 4.318 8.841 ( 3.448 2.110 -1.814) 4.431 8.915 ( -0.831 -1.838 -2.877) 3.514 9.512 ( -2.083 6.920 -0.959) 7.290 9.704 ( -5.227 -3.065 5.405) 8.120 10.866 ( 4.671 7.737 -8.224) 12.219 11.136 ( 1.152 -4.794 -9.024) 10.283 11.482 ( -0.977 7.200 0.930) 7.326 11.568 ( 6.408 6.467 4.314) 10.074 12.051 ( 0.096 -2.434 0.317) 2.457 12.226 ( -6.302 -12.271 9.572) 16.791 12.484 ( -6.654 1.134 2.147) 7.083 12.714 ( -6.628 -8.277 -0.694) 10.626 13.964 ( -0.700 3.407 -3.706) 5.082 14.180 ( 2.934 -6.152 -5.556) 8.793 14.564 ( 3.278 8.479 3.056) 9.590 14.934 ( 10.414 -8.966 4.757) 14.542 17.828 ( -4.339 4.895 -4.332) 7.845 17.969 ( -5.353 -0.699 -4.327) 6.919 18.192 ( -5.742 0.234 0.980) 5.830 18.279 ( -0.205 -2.109 3.832) 4.379 21.054 ( 0.830 4.631 2.509) 5.332 21.306 ( -3.501 -7.491 6.881) 10.758 21.758 ( 3.088 -0.019 1.476) 3.423 21.904 ( 0.211 -7.054 -7.308) 10.159 25.277 ( -0.083 5.501 -0.560) 5.530 25.439 ( 1.268 -1.825 1.334) 2.592 25.554 ( 1.815 1.735 -2.019) 3.222 25.737 ( 3.432 -7.652 0.445) 8.398 29.056 ( -3.014 0.247 -0.089) 3.026 29.074 ( -2.764 -0.677 -0.026) 2.846 29.587 ( 2.856 2.874 0.402) 4.071 29.716 ( 4.583 -3.075 0.009) 5.519 37.813 ( -8.273 1.089 0.066) 8.345 37.848 ( -8.660 -0.496 -0.129) 8.675 38.944 ( 4.262 0.337 0.059) 4.276 38.961 ( 3.931 -0.259 -0.055) 3.940 69.999 ( -3.695 5.796 0.540) 6.895 70.045 ( -4.084 3.690 0.456) 5.523 73.853 ( 14.397 40.945 -0.667) 43.407 75.224 ( 39.123 -25.147 -0.522) 46.511 ======================= Grid point 175 (91/168) ======================= q-point: (-0.09 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -5.589 14.284 -2.852) 15.602 1.904 ( -12.692 4.401 0.442) 13.440 2.002 ( -2.657 7.358 -7.595) 10.903 2.269 ( -3.515 -3.120 5.228) 7.030 2.594 ( -7.155 7.269 2.278) 10.451 2.835 ( -0.605 -1.553 -1.042) 1.965 3.085 ( -4.271 3.191 -3.436) 6.343 3.138 ( -12.146 0.333 -3.988) 12.789 3.285 ( -0.405 1.628 -0.144) 1.684 3.606 ( -0.181 -7.487 -4.797) 8.894 3.938 ( 4.141 0.528 3.492) 5.442 4.072 ( 1.848 -4.187 5.405) 7.083 4.430 ( 3.179 2.899 2.158) 4.814 4.618 ( -0.818 -3.210 1.751) 3.747 5.095 ( -0.796 3.970 -0.186) 4.053 5.235 ( -0.996 -1.494 -2.480) 3.062 5.527 ( -1.888 13.073 2.287) 13.406 5.983 ( 1.760 -1.155 4.387) 4.866 6.159 ( -3.922 13.624 -0.581) 14.189 6.723 ( -1.958 -3.883 -0.136) 4.351 7.292 ( 3.572 -3.757 1.635) 5.436 7.356 ( -3.220 -4.899 -1.594) 6.076 7.829 ( 2.609 3.616 -0.263) 4.467 7.953 ( 4.408 -0.720 -1.309) 4.655 8.701 ( -1.961 0.634 2.217) 3.027 8.737 ( -2.623 -0.000 -0.504) 2.671 8.888 ( 5.333 0.494 -2.133) 5.765 8.940 ( 4.401 -0.866 -1.418) 4.704 9.459 ( -0.526 5.136 -3.950) 6.501 9.664 ( -6.241 -4.735 4.524) 9.046 10.862 ( 5.104 7.067 -7.973) 11.814 11.068 ( 2.046 -3.682 -9.304) 10.213 11.469 ( -5.092 13.791 6.477) 16.065 11.694 ( 4.952 13.320 0.421) 14.217 12.118 ( 7.212 -9.095 0.481) 11.618 12.235 ( -3.421 -12.089 8.299) 15.057 12.387 ( -8.617 -1.999 3.508) 9.516 12.588 ( -7.246 -6.682 -0.242) 9.860 13.932 ( 0.528 3.944 -1.792) 4.364 14.174 ( 2.495 -6.569 -4.191) 8.182 14.637 ( 1.450 9.566 3.233) 10.201 15.095 ( 4.882 -12.225 0.042) 13.164 17.759 ( -0.262 4.049 -1.858) 4.463 17.863 ( -1.982 -0.869 -1.114) 2.434 18.118 ( -4.280 4.775 0.045) 6.413 18.291 ( -1.758 -2.937 0.914) 3.543 21.102 ( 1.237 3.567 3.787) 5.348 21.317 ( -5.557 -6.934 10.224) 13.546 21.799 ( 1.762 -2.016 -4.328) 5.089 21.859 ( 2.185 -6.059 -2.618) 6.953 25.280 ( 0.395 5.907 0.409) 5.934 25.458 ( 0.424 -2.826 -0.301) 2.873 25.573 ( 1.700 2.660 -0.014) 3.157 25.781 ( 1.700 -8.599 -0.374) 8.773 29.019 ( -1.503 0.315 0.058) 1.537 29.039 ( -1.431 -0.745 -0.056) 1.614 29.629 ( 1.428 2.990 0.946) 3.446 29.771 ( 2.467 -3.713 -0.658) 4.507 37.709 ( -4.484 0.827 0.183) 4.564 37.734 ( -4.765 -0.247 -0.169) 4.775 38.997 ( 2.113 0.100 0.077) 2.117 39.008 ( 1.917 -0.216 -0.076) 1.930 69.956 ( -2.204 5.394 0.646) 5.863 69.995 ( -2.563 3.589 0.447) 4.433 74.078 ( 9.697 44.353 5.167) 45.694 75.704 ( 23.863 -35.818 -11.041) 44.433 ======================= Grid point 176 (92/168) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 1.340 -2.950 3.413) 4.706 1.831 ( 1.340 2.950 3.413) 4.706 2.190 ( 4.062 -6.845 1.408) 8.083 2.190 ( 4.062 6.845 1.408) 8.083 2.551 ( -8.367 -7.714 -14.720) 18.606 2.551 ( -8.367 7.714 -14.720) 18.606 3.034 ( 3.117 -2.862 -2.796) 5.072 3.034 ( 3.117 2.862 -2.796) 5.072 3.451 ( -0.290 -8.830 3.890) 9.653 3.451 ( -0.290 8.830 3.890) 9.653 4.088 ( 2.541 -2.953 6.401) 7.493 4.088 ( 2.541 2.953 6.401) 7.493 4.559 ( -0.826 -4.568 4.432) 6.418 4.559 ( -0.826 4.568 4.432) 6.418 5.134 ( -0.645 -3.688 -3.738) 5.290 5.134 ( -0.645 3.688 -3.738) 5.290 5.817 ( 0.737 -12.045 4.532) 12.891 5.817 ( 0.737 12.045 4.532) 12.891 6.512 ( -1.477 -16.453 -0.318) 16.522 6.512 ( -1.477 16.453 -0.318) 16.522 7.255 ( -0.021 -2.129 -0.827) 2.284 7.255 ( -0.021 2.129 -0.827) 2.284 7.914 ( -1.028 -4.786 -2.761) 5.620 7.914 ( -1.028 4.786 -2.761) 5.620 8.715 ( 0.094 -1.694 0.607) 1.802 8.715 ( 0.094 1.694 0.607) 1.802 8.974 ( 2.496 -1.101 1.258) 3.005 8.974 ( 2.496 1.101 1.258) 3.005 9.495 ( -2.217 -3.894 -2.445) 5.104 9.495 ( -2.217 3.894 -2.445) 5.104 10.967 ( 5.588 -3.317 -9.161) 11.232 10.967 ( 5.588 3.317 -9.161) 11.232 11.802 ( -6.115 -19.856 7.266) 22.010 11.802 ( -6.115 19.856 7.266) 22.010 12.064 ( 4.777 -13.586 -1.176) 14.449 12.064 ( 4.777 13.586 -1.176) 14.449 12.390 ( -4.264 -5.526 5.692) 9.006 12.390 ( -4.264 5.526 5.692) 9.006 14.057 ( 3.417 -6.418 -1.898) 7.515 14.057 ( 3.417 6.418 -1.898) 7.515 14.855 ( -2.668 -10.686 -0.610) 11.031 14.855 ( -2.668 10.686 -0.610) 11.031 17.862 ( 4.265 -3.617 3.166) 6.426 17.862 ( 4.265 3.617 3.166) 6.426 18.153 ( -3.338 -5.199 -3.016) 6.875 18.153 ( -3.338 5.199 -3.016) 6.875 21.230 ( -2.243 -3.905 7.405) 8.667 21.230 ( -2.243 3.905 7.405) 8.667 21.780 ( 1.838 -4.106 -3.943) 5.983 21.780 ( 1.838 4.106 -3.943) 5.983 25.398 ( 0.145 -4.372 1.121) 4.516 25.398 ( 0.145 4.372 1.121) 4.516 25.651 ( 0.030 -4.779 -1.027) 4.888 25.651 ( 0.030 4.779 -1.027) 4.888 29.016 ( 0.038 -0.444 0.080) 0.453 29.016 ( 0.038 0.444 0.080) 0.453 29.711 ( -0.104 -3.439 -0.078) 3.441 29.711 ( -0.104 3.439 -0.078) 3.441 37.686 ( 0.006 -0.584 0.019) 0.584 37.686 ( 0.006 0.584 0.019) 0.584 39.018 ( -0.000 -0.289 0.001) 0.289 39.018 ( -0.000 0.289 0.001) 0.289 70.003 ( -0.268 -0.788 0.504) 0.973 70.003 ( -0.268 0.788 0.504) 0.973 75.027 ( 0.123 -38.416 -3.716) 38.595 75.027 ( 0.123 38.416 -3.716) 38.595 ======================= Grid point 178 (93/168) ======================= q-point: ( 0.09 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 13.006 -4.352 3.641) 14.190 2.018 ( 13.006 4.352 3.641) 14.190 2.168 ( -4.106 -5.879 -9.660) 12.031 2.168 ( -4.106 5.879 -9.660) 12.031 2.378 ( 3.960 -14.316 -2.707) 15.099 2.378 ( 3.960 14.316 -2.707) 15.099 3.109 ( 7.972 -4.392 -3.838) 9.878 3.109 ( 7.972 4.392 -3.838) 9.878 3.496 ( 1.680 -9.524 3.970) 10.455 3.496 ( 1.680 9.524 3.970) 10.455 4.130 ( -2.891 -0.400 0.736) 3.009 4.130 ( -2.891 0.400 0.736) 3.009 4.607 ( -0.998 -5.244 8.895) 10.374 4.607 ( -0.998 5.244 8.895) 10.374 5.087 ( 0.904 -3.502 -5.819) 6.852 5.087 ( 0.904 3.502 -5.819) 6.852 5.898 ( 2.741 -9.426 6.106) 11.560 5.898 ( 2.741 9.426 6.106) 11.560 6.487 ( -1.310 -15.836 0.635) 15.903 6.487 ( -1.310 15.836 0.635) 15.903 7.271 ( 3.395 -4.346 -1.099) 5.624 7.271 ( 3.395 4.346 -1.099) 5.624 7.829 ( -5.477 -4.637 -2.941) 7.755 7.829 ( -5.477 4.637 -2.941) 7.755 8.727 ( 0.780 -3.860 -0.462) 3.965 8.727 ( 0.780 3.860 -0.462) 3.965 8.998 ( -1.827 -1.636 1.863) 3.080 8.998 ( -1.827 1.636 1.863) 3.080 9.455 ( 0.771 -3.135 -2.760) 4.248 9.455 ( 0.771 3.135 -2.760) 4.248 10.984 ( 7.256 -1.438 -8.725) 11.438 10.984 ( 7.256 1.438 -8.725) 11.438 11.710 ( -10.737 -18.162 3.780) 21.434 11.710 ( -10.737 18.162 3.780) 21.434 12.145 ( 3.185 -13.395 4.242) 14.407 12.145 ( 3.185 13.395 4.242) 14.407 12.420 ( 1.344 -2.456 3.169) 4.228 12.420 ( 1.344 2.456 3.169) 4.228 14.101 ( 4.219 -4.806 -2.388) 6.827 14.101 ( 4.219 4.806 -2.388) 6.827 14.780 ( -5.637 -5.830 0.554) 8.129 14.780 ( -5.637 5.830 0.554) 8.129 17.994 ( 4.203 -3.492 3.322) 6.395 17.994 ( 4.203 3.492 3.322) 6.395 18.068 ( 0.238 -3.943 -3.640) 5.372 18.068 ( 0.238 3.943 -3.640) 5.372 21.256 ( -3.776 -1.660 7.392) 8.464 21.256 ( -3.776 1.660 7.392) 8.464 21.776 ( 2.713 -8.546 -3.996) 9.817 21.776 ( 2.713 8.546 -3.996) 9.817 25.404 ( -0.930 -3.241 0.944) 3.502 25.404 ( -0.930 3.241 0.944) 3.502 25.633 ( -0.811 -3.182 -0.931) 3.413 25.633 ( -0.811 3.182 -0.931) 3.413 29.029 ( 1.500 -0.286 0.059) 1.528 29.029 ( 1.500 0.286 0.059) 1.528 29.693 ( -1.985 -2.570 -0.039) 3.247 29.693 ( -1.985 2.570 -0.039) 3.247 37.725 ( 4.649 -0.579 0.018) 4.685 37.725 ( 4.649 0.579 0.018) 4.685 39.002 ( -1.975 -0.333 -0.000) 2.003 39.002 ( -1.975 0.333 -0.000) 2.003 70.022 ( 1.984 -0.535 0.537) 2.124 70.022 ( 1.984 0.535 0.537) 2.124 74.873 ( -13.853 -25.883 -3.404) 29.554 74.873 ( -13.853 25.883 -3.404) 29.554 ======================= Grid point 180 (94/168) ======================= q-point: ( 0.18 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -5.263 -4.895 -9.081) 11.581 1.911 ( -5.263 4.895 -9.081) 11.581 2.408 ( 21.708 -2.098 1.578) 21.866 2.408 ( 21.708 2.098 1.578) 21.866 2.467 ( 5.328 -9.919 1.840) 11.408 2.467 ( 5.328 9.919 1.840) 11.408 3.130 ( -1.662 -5.368 -4.581) 7.250 3.130 ( -1.662 5.368 -4.581) 7.250 3.629 ( 10.802 -7.720 2.280) 13.471 3.629 ( 10.802 7.720 2.280) 13.471 4.027 ( -7.552 -2.525 -1.546) 8.112 4.027 ( -7.552 2.525 -1.546) 8.112 4.683 ( -0.449 -7.325 7.292) 10.346 4.683 ( -0.449 7.325 7.292) 10.346 5.048 ( 1.334 -3.470 -5.898) 6.972 5.048 ( 1.334 3.470 -5.898) 6.972 6.031 ( 6.032 -5.686 6.499) 10.533 6.031 ( 6.032 5.686 6.499) 10.533 6.492 ( 0.361 -12.321 1.809) 12.458 6.492 ( 0.361 12.321 1.809) 12.458 7.350 ( 6.730 -3.673 0.135) 7.669 7.350 ( 6.730 3.673 0.135) 7.669 7.686 ( -8.953 -3.364 -1.735) 9.720 7.686 ( -8.953 3.364 -1.735) 9.720 8.716 ( -0.660 -6.364 -2.482) 6.863 8.716 ( -0.660 6.364 -2.482) 6.863 8.955 ( -3.977 -1.096 0.032) 4.126 8.955 ( -3.977 1.096 0.032) 4.126 9.468 ( 2.327 -7.975 -0.036) 8.307 9.468 ( 2.327 7.975 -0.036) 8.307 11.022 ( 7.366 -0.099 -8.490) 11.240 11.022 ( 7.366 0.099 -8.490) 11.240 11.560 ( -9.815 -13.844 1.232) 17.015 11.560 ( -9.815 13.844 1.232) 17.015 12.238 ( -0.734 -8.905 9.261) 12.869 12.238 ( -0.734 8.905 9.261) 12.869 12.476 ( 4.296 -5.026 -0.935) 6.678 12.476 ( 4.296 5.026 -0.935) 6.678 14.138 ( 4.273 -2.794 -4.549) 6.838 14.138 ( 4.273 2.794 -4.549) 6.838 14.702 ( -6.493 -2.487 3.944) 7.993 14.702 ( -6.493 2.487 3.944) 7.993 17.944 ( -1.531 -3.709 -5.379) 6.711 17.944 ( -1.531 3.709 -5.379) 6.711 18.199 ( 7.801 -7.991 4.027) 11.871 18.199 ( 7.801 7.991 4.027) 11.871 21.247 ( -5.205 -2.761 5.541) 8.088 21.247 ( -5.205 2.761 5.541) 8.088 21.793 ( 3.607 -12.807 -3.086) 13.658 21.793 ( 3.607 12.807 -3.086) 13.658 25.381 ( -2.372 -2.313 -0.074) 3.314 25.381 ( -2.372 2.313 -0.074) 3.314 25.613 ( -0.820 -0.547 -0.172) 1.001 25.613 ( -0.820 0.547 -0.172) 1.001 29.065 ( 2.840 -0.194 -0.034) 2.847 29.065 ( 2.840 0.194 -0.034) 2.847 29.647 ( -3.565 -1.514 0.113) 3.875 29.647 ( -3.565 1.514 0.113) 3.875 37.834 ( 8.497 -0.600 0.006) 8.518 37.834 ( 8.497 0.600 0.006) 8.518 38.953 ( -4.031 -0.425 -0.001) 4.053 38.953 ( -4.031 0.425 -0.001) 4.053 70.076 ( 3.720 -0.556 0.545) 3.801 70.076 ( 3.720 0.556 0.545) 3.801 74.541 ( -22.271 -10.873 -1.877) 24.855 74.541 ( -22.271 10.873 -1.877) 24.855 ======================= Grid point 182 (95/168) ======================= q-point: ( 0.27 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.395 -5.431 -3.241) 6.337 1.811 ( 0.395 5.432 -3.241) 6.337 2.561 ( 3.936 -7.667 2.676) 9.025 2.561 ( 3.936 7.667 2.676) 9.025 2.720 ( 13.123 -2.384 -4.648) 14.125 2.720 ( 13.123 2.384 -4.648) 14.125 3.037 ( -2.722 -6.188 2.721) 7.288 3.037 ( -2.722 6.188 2.721) 7.288 3.775 ( 2.329 -6.936 -6.647) 9.885 3.775 ( 2.329 6.936 -6.647) 9.885 3.953 ( 2.177 -5.512 5.382) 8.006 3.953 ( 2.177 5.512 5.382) 8.006 4.726 ( 0.897 -9.594 1.016) 9.690 4.726 ( 0.897 9.594 1.016) 9.690 5.019 ( 0.304 -2.599 -1.939) 3.257 5.019 ( 0.304 2.599 -1.939) 3.257 6.217 ( 9.925 -4.750 2.742) 11.339 6.217 ( 9.925 4.750 2.742) 11.339 6.524 ( 1.634 -11.978 1.421) 12.172 6.524 ( 1.634 11.978 1.421) 12.173 7.475 ( 2.660 -4.637 3.666) 6.482 7.475 ( 2.660 4.637 3.666) 6.482 7.512 ( -6.711 -11.448 -2.504) 13.504 7.512 ( -6.711 11.448 -2.504) 13.504 8.660 ( -2.035 -7.139 -3.446) 8.184 8.660 ( -2.035 7.139 -3.446) 8.184 8.892 ( -3.087 -2.353 -0.319) 3.895 8.892 ( -3.087 2.353 -0.319) 3.895 9.518 ( 1.738 -11.011 2.668) 11.462 9.518 ( 1.738 11.011 2.668) 11.462 11.037 ( 3.243 -2.646 -7.005) 8.160 11.037 ( 3.243 2.646 -7.005) 8.160 11.441 ( -3.301 -8.095 -2.343) 9.051 11.441 ( -3.301 8.095 -2.343) 9.051 12.278 ( -6.768 -5.597 10.873) 13.977 12.278 ( -6.768 5.597 10.873) 13.977 12.560 ( 7.900 -9.507 -1.878) 12.503 12.560 ( 7.900 9.507 -1.878) 12.503 14.149 ( 3.418 -3.846 -6.161) 8.027 14.149 ( 3.418 3.846 -6.161) 8.027 14.641 ( -6.664 -4.643 5.181) 9.634 14.641 ( -6.665 4.643 5.181) 9.634 17.894 ( 1.214 -3.726 -3.588) 5.313 17.894 ( 1.214 3.726 -3.588) 5.313 18.343 ( 5.657 -8.596 2.239) 10.531 18.343 ( 5.657 8.596 2.239) 10.531 21.203 ( -5.343 -4.111 3.573) 7.630 21.203 ( -5.343 4.111 3.573) 7.630 21.827 ( 3.694 -15.120 -2.414) 15.751 21.827 ( 3.694 15.120 -2.414) 15.751 25.332 ( -2.953 -3.703 -0.407) 4.754 25.332 ( -2.953 3.703 -0.407) 4.754 25.602 ( -0.612 -1.819 0.070) 1.920 25.602 ( -0.612 1.819 0.070) 1.920 29.120 ( 3.960 -0.180 -0.118) 3.965 29.120 ( 3.960 0.180 -0.118) 3.965 29.581 ( -4.712 -0.660 0.222) 4.763 29.581 ( -4.712 0.660 0.222) 4.763 37.995 ( 10.966 -0.626 -0.010) 10.984 37.995 ( 10.966 0.626 -0.010) 10.984 38.870 ( -6.144 -0.504 0.003) 6.165 38.870 ( -6.144 0.504 0.003) 6.165 70.149 ( 4.357 -0.718 0.441) 4.437 70.149 ( 4.357 0.718 0.441) 4.437 74.146 ( -23.392 -0.683 -0.519) 23.408 74.146 ( -23.392 0.683 -0.519) 23.408 ======================= Grid point 184 (96/168) ======================= q-point: ( 0.36 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 2.582 -4.779 1.989) 5.785 1.836 ( 2.582 4.779 1.989) 5.785 2.621 ( -0.669 -7.196 0.849) 7.276 2.621 ( -0.669 7.196 0.849) 7.277 2.745 ( 2.407 -4.182 -1.011) 4.930 2.745 ( 2.407 4.183 -1.011) 4.930 3.166 ( 5.306 -7.547 8.636) 12.637 3.166 ( 5.306 7.547 8.636) 12.637 3.661 ( -3.511 -5.890 -6.905) 9.731 3.661 ( -3.511 5.890 -6.905) 9.731 4.090 ( 5.295 -1.899 2.424) 6.125 4.090 ( 5.295 1.899 2.424) 6.125 4.742 ( 2.240 -9.860 -2.635) 10.449 4.742 ( 2.240 9.860 -2.635) 10.449 5.027 ( 0.355 -3.309 2.171) 3.973 5.027 ( 0.355 3.309 2.171) 3.973 6.325 ( 5.793 -4.489 -11.113) 13.312 6.325 ( 5.793 4.489 -11.113) 13.312 6.621 ( 7.474 -11.317 5.622) 14.681 6.621 ( 7.474 11.317 5.622) 14.681 7.300 ( -13.774 -4.952 1.337) 14.698 7.300 ( -13.774 4.952 1.337) 14.698 7.610 ( 6.132 -3.883 0.878) 7.311 7.610 ( 6.132 3.883 0.878) 7.311 8.604 ( -0.714 -4.570 -2.524) 5.269 8.604 ( -0.714 4.570 -2.524) 5.269 8.856 ( -2.054 -5.864 1.951) 6.513 8.856 ( -2.054 5.864 1.951) 6.513 9.568 ( 0.047 -12.472 4.137) 13.140 9.568 ( 0.047 12.472 4.137) 13.140 10.988 ( -1.526 -4.960 -4.465) 6.845 10.988 ( -1.526 4.960 -4.465) 6.845 11.414 ( 5.054 -2.705 -6.751) 8.856 11.414 ( 5.054 2.705 -6.751) 8.856 12.251 ( -9.599 -5.811 11.925) 16.374 12.251 ( -9.599 5.811 11.925) 16.374 12.680 ( 7.955 -9.488 -1.206) 12.440 12.680 ( 7.955 9.488 -1.206) 12.440 14.120 ( 1.050 -6.522 -7.233) 9.795 14.120 ( 1.050 6.522 -7.233) 9.795 14.588 ( -4.938 -4.578 3.788) 7.726 14.588 ( -4.938 4.578 3.788) 7.726 17.912 ( 2.909 -4.239 -0.054) 5.141 17.912 ( 2.909 4.239 -0.054) 5.141 18.423 ( 2.846 -8.440 -0.083) 8.907 18.423 ( 2.846 8.440 -0.083) 8.907 21.153 ( -4.240 -4.722 2.552) 6.840 21.153 ( -4.240 4.722 2.552) 6.840 21.858 ( 2.924 -15.644 -2.718) 16.146 21.858 ( 2.924 15.644 -2.718) 16.146 25.289 ( -2.159 -4.695 0.560) 5.198 25.289 ( -2.159 4.695 0.560) 5.198 25.591 ( -0.488 -2.428 -0.612) 2.551 25.591 ( -0.488 2.428 -0.612) 2.551 29.190 ( 4.645 -0.019 -0.088) 4.646 29.190 ( 4.645 0.019 -0.088) 4.646 29.500 ( -5.227 -0.514 0.154) 5.254 29.500 ( -5.227 0.514 0.154) 5.254 38.183 ( 11.677 -0.726 -0.021) 11.700 38.183 ( 11.677 0.726 -0.021) 11.700 38.753 ( -8.018 -0.563 0.010) 8.038 38.753 ( -8.018 0.563 0.010) 8.038 70.218 ( 3.509 -0.504 0.237) 3.553 70.218 ( 3.509 0.504 0.237) 3.553 73.802 ( -17.532 -6.080 0.094) 18.557 73.802 ( -17.532 6.080 0.094) 18.557 ======================= Grid point 186 (97/168) ======================= q-point: ( 0.45 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 3.260 -8.520 6.782) 11.367 1.926 ( 3.260 8.520 6.782) 11.367 2.582 ( -3.332 -5.979 0.191) 6.848 2.582 ( -3.332 5.979 0.191) 6.848 2.857 ( 4.550 -2.925 9.611) 11.028 2.857 ( 4.550 2.925 9.611) 11.028 3.260 ( -2.607 -6.973 3.646) 8.290 3.260 ( -2.607 6.973 3.646) 8.290 3.587 ( 2.198 -3.718 -3.816) 5.764 3.587 ( 2.198 3.719 -3.816) 5.764 4.143 ( 0.180 -3.887 -0.259) 3.900 4.143 ( 0.180 3.887 -0.259) 3.900 4.744 ( 1.442 -11.015 -4.103) 11.842 4.744 ( 1.442 11.015 -4.103) 11.842 5.069 ( 0.767 -3.591 4.706) 5.969 5.069 ( 0.767 3.591 4.706) 5.969 6.212 ( 0.384 -1.931 -19.003) 19.105 6.212 ( 0.383 1.931 -19.003) 19.105 6.837 ( 11.537 -4.917 4.015) 13.168 6.837 ( 11.537 4.917 4.015) 13.168 7.085 ( -13.654 -5.085 1.019) 14.606 7.085 ( -13.654 5.085 1.019) 14.606 7.692 ( 2.251 -4.109 1.232) 4.844 7.692 ( 2.251 4.109 1.232) 4.844 8.588 ( 1.786 -1.976 -2.663) 3.766 8.588 ( 1.786 1.976 -2.663) 3.766 8.865 ( -1.575 -10.185 5.381) 11.626 8.865 ( -1.575 10.185 5.381) 11.626 9.602 ( -1.503 -12.753 5.380) 13.923 9.602 ( -1.503 12.753 5.380) 13.923 10.927 ( -0.203 -6.052 -3.799) 7.148 10.927 ( -0.203 6.052 -3.799) 7.148 11.449 ( 7.802 -3.489 -8.622) 12.141 11.449 ( 7.802 3.489 -8.622) 12.141 12.217 ( -9.706 -5.588 13.554) 17.582 12.217 ( -9.706 5.588 13.554) 17.582 12.772 ( 3.759 -7.747 -0.723) 8.641 12.772 ( 3.759 7.747 -0.723) 8.641 14.053 ( 1.445 -7.637 -8.852) 11.780 14.053 ( 1.445 7.637 -8.852) 11.780 14.557 ( -2.812 -3.290 2.395) 4.947 14.557 ( -2.812 3.290 2.395) 4.947 17.975 ( 2.242 -4.171 3.462) 5.866 17.975 ( 2.242 4.171 3.462) 5.866 18.437 ( 0.384 -8.319 -2.282) 8.635 18.437 ( 0.384 8.319 -2.282) 8.635 21.120 ( -2.562 -5.331 2.231) 6.322 21.120 ( -2.562 5.331 2.231) 6.322 21.865 ( 1.757 -14.952 -3.470) 15.449 21.865 ( 1.757 14.952 -3.470) 15.449 25.279 ( -0.598 -4.773 2.065) 5.235 25.279 ( -0.598 4.773 2.065) 5.235 25.573 ( -0.233 -2.392 -1.684) 2.935 25.573 ( -0.233 2.392 -1.684) 2.935 29.264 ( 3.706 -0.518 0.192) 3.747 29.264 ( 3.706 0.518 0.192) 3.747 29.421 ( -3.961 -0.793 -0.180) 4.043 29.421 ( -3.961 0.793 -0.180) 4.043 38.360 ( 8.684 -0.717 -0.029) 8.714 38.360 ( 8.684 0.717 -0.029) 8.714 38.619 ( -7.321 -0.519 0.019) 7.340 38.619 ( -7.321 0.519 0.019) 7.340 70.260 ( 1.233 -0.343 0.047) 1.280 70.260 ( 1.233 0.343 0.047) 1.280 73.602 ( -6.432 -5.369 0.253) 8.382 73.602 ( -6.432 5.369 0.253) 8.382 ======================= Grid point 188 (98/168) ======================= q-point: (-0.45 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 3.439 -10.516 10.778) 15.446 2.073 ( 3.439 10.516 10.778) 15.446 2.511 ( -5.656 -6.236 -0.047) 8.419 2.511 ( -5.656 6.236 -0.047) 8.419 3.058 ( 5.076 -6.065 12.760) 15.013 3.058 ( 5.076 6.065 12.760) 15.013 3.178 ( -7.426 -6.048 -0.381) 9.585 3.178 ( -7.426 6.048 -0.381) 9.585 3.633 ( 5.301 -5.949 -1.876) 8.186 3.633 ( 5.301 5.949 -1.876) 8.186 4.107 ( -4.323 -7.554 0.776) 8.738 4.107 ( -4.323 7.554 0.776) 8.738 4.683 ( -1.744 -12.759 -8.133) 15.230 4.683 ( -1.744 12.759 -8.133) 15.230 5.153 ( 1.539 -2.337 8.218) 8.681 5.153 ( 1.539 2.337 8.218) 8.681 5.999 ( -1.431 -5.357 -20.400) 21.140 5.999 ( -1.431 5.357 -20.400) 21.140 6.876 ( -12.728 -7.521 1.143) 14.829 6.876 ( -12.728 7.521 1.143) 14.829 7.061 ( 12.541 -2.490 0.593) 12.799 7.061 ( 12.541 2.490 0.593) 12.799 7.700 ( -2.791 -5.563 1.267) 6.352 7.700 ( -2.791 5.563 1.267) 6.352 8.611 ( 4.704 -2.132 -3.381) 6.173 8.611 ( 4.704 2.132 -3.381) 6.173 8.898 ( -1.960 -10.604 6.334) 12.506 8.898 ( -1.960 10.604 6.334) 12.506 9.630 ( -2.452 -11.292 6.888) 13.452 9.630 ( -2.452 11.292 6.888) 13.452 10.919 ( 4.173 -7.465 -4.252) 9.551 10.919 ( 4.173 7.465 -4.252) 9.551 11.476 ( 5.747 -6.172 -8.928) 12.282 11.476 ( 5.747 6.172 -8.928) 12.282 12.206 ( -8.431 -5.543 13.847) 17.133 12.206 ( -8.431 5.543 13.847) 17.133 12.778 ( -2.437 -5.912 -0.043) 6.395 12.778 ( -2.437 5.912 -0.043) 6.395 14.020 ( 6.424 -5.833 -9.960) 13.209 14.020 ( 6.424 5.833 -9.960) 13.209 14.538 ( -2.226 -2.005 2.198) 3.716 14.538 ( -2.226 2.005 2.198) 3.716 18.042 ( 0.203 -2.764 5.797) 6.426 18.042 ( 0.203 2.764 5.797) 6.426 18.393 ( -1.795 -8.589 -4.194) 9.725 18.393 ( -1.795 8.589 -4.194) 9.725 21.113 ( -0.997 -6.110 2.135) 6.548 21.113 ( -0.997 6.110 2.135) 6.548 21.849 ( 0.841 -13.268 -3.793) 13.825 21.849 ( 0.841 13.268 -3.793) 13.825 25.306 ( 0.686 -3.912 2.978) 4.964 25.306 ( 0.686 3.912 2.978) 4.964 25.553 ( 0.436 -1.999 -2.462) 3.201 25.553 ( 0.436 1.999 -2.462) 3.201 29.271 ( -3.631 -0.249 0.348) 3.656 29.271 ( -3.631 0.249 0.348) 3.656 29.413 ( 3.778 -0.389 -0.353) 3.815 29.413 ( 3.778 0.389 -0.353) 3.815 38.360 ( -8.653 -0.606 -0.027) 8.674 38.360 ( -8.653 0.606 -0.027) 8.674 38.619 ( 7.299 -0.629 0.017) 7.326 38.619 ( 7.299 0.629 0.017) 7.326 70.257 ( -1.662 -1.081 -0.020) 1.983 70.257 ( -1.662 1.081 -0.020) 1.983 73.608 ( 6.842 -0.884 0.365) 6.908 73.608 ( 6.842 0.884 0.365) 6.908 ======================= Grid point 190 (99/168) ======================= q-point: (-0.36 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 2.476 -7.923 5.601) 10.014 2.219 ( 2.476 7.923 5.601) 10.014 2.412 ( -7.752 -7.576 5.066) 11.965 2.412 ( -7.752 7.576 5.065) 11.965 3.006 ( -9.014 -6.273 -3.693) 11.586 3.006 ( -9.014 6.273 -3.693) 11.586 3.263 ( 1.562 -5.105 12.689) 13.767 3.263 ( 1.562 5.105 12.689) 13.767 3.685 ( 3.836 -7.767 -5.500) 10.261 3.685 ( 3.836 7.767 -5.500) 10.261 4.042 ( -6.079 -7.303 5.196) 10.830 4.042 ( -6.079 7.303 5.196) 10.830 4.542 ( -3.256 -12.626 -10.197) 16.552 4.542 ( -3.256 12.626 -10.197) 16.552 5.255 ( -0.184 -2.402 7.744) 8.110 5.255 ( -0.184 2.402 7.744) 8.110 5.805 ( 0.622 -8.012 -14.848) 16.883 5.805 ( 0.622 8.012 -14.848) 16.883 6.694 ( -10.287 -11.067 0.911) 15.137 6.694 ( -10.287 11.067 0.911) 15.137 7.256 ( 10.968 -3.869 -1.094) 11.681 7.256 ( 10.968 3.869 -1.094) 11.681 7.644 ( -4.431 -11.041 1.566) 11.999 7.644 ( -4.431 11.041 1.566) 12.000 8.666 ( 5.869 -2.226 -3.662) 7.267 8.666 ( 5.869 2.226 -3.662) 7.267 8.915 ( -2.594 -7.665 4.405) 9.213 8.915 ( -2.594 7.665 4.405) 9.213 9.655 ( -3.345 -8.402 7.465) 11.727 9.655 ( -3.345 8.402 7.465) 11.727 10.972 ( 7.735 -8.950 -5.752) 13.154 10.972 ( 7.735 8.950 -5.752) 13.154 11.464 ( 3.234 -6.453 -7.139) 10.153 11.464 ( 3.234 6.453 -7.139) 10.153 12.197 ( -8.768 -5.180 11.389) 15.278 12.197 ( -8.768 5.180 11.389) 15.278 12.714 ( -4.942 -5.772 0.908) 7.652 12.714 ( -4.942 5.772 0.908) 7.652 14.054 ( 8.473 -3.892 -9.360) 13.211 14.054 ( 8.473 3.892 -9.360) 13.211 14.538 ( -0.415 -2.987 3.178) 4.381 14.538 ( -0.415 2.987 3.178) 4.381 18.089 ( -1.662 -0.629 5.333) 5.621 18.089 ( -1.662 0.629 5.333) 5.621 18.301 ( -3.757 -8.473 -4.468) 10.289 18.301 ( -3.757 8.473 -4.468) 10.289 21.126 ( -0.159 -6.816 2.086) 7.130 21.126 ( -0.159 6.816 2.086) 7.130 21.824 ( 0.576 -10.725 -3.367) 11.255 21.824 ( 0.576 10.725 -3.367) 11.255 25.348 ( 0.809 -2.210 2.232) 3.244 25.348 ( 0.809 2.210 2.232) 3.244 25.546 ( 1.757 -1.294 -2.008) 2.965 25.546 ( 1.757 1.294 -2.008) 2.965 29.197 ( -4.873 -0.223 0.026) 4.878 29.197 ( -4.873 0.223 0.026) 4.878 29.492 ( 5.394 -1.572 0.006) 5.619 29.492 ( 5.394 1.572 0.006) 5.619 38.183 ( -11.675 -0.992 -0.025) 11.717 38.183 ( -11.675 0.992 -0.025) 11.717 38.753 ( 8.016 -0.806 0.011) 8.057 38.753 ( 8.016 0.806 0.011) 8.057 70.210 ( -3.883 -1.464 0.075) 4.150 70.210 ( -3.883 1.464 0.075) 4.150 73.825 ( 18.545 -10.864 0.529) 21.500 73.825 ( 18.545 10.865 0.529) 21.500 ======================= Grid point 192 (100/168) ======================= q-point: (-0.27 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -1.883 -7.232 -8.712) 11.478 2.187 ( -1.883 7.232 -8.712) 11.478 2.408 ( -7.255 -8.288 11.535) 15.950 2.408 ( -7.255 8.288 11.535) 15.950 2.829 ( -10.598 -4.890 3.615) 12.218 2.829 ( -10.598 4.890 3.615) 12.218 3.355 ( -1.069 -4.666 5.175) 7.049 3.355 ( -1.069 4.666 5.175) 7.049 3.602 ( -5.209 -11.463 -7.677) 14.747 3.602 ( -5.209 11.463 -7.677) 14.747 4.022 ( -2.736 -0.146 1.988) 3.385 4.022 ( -2.736 0.146 1.988) 3.385 4.429 ( -0.129 -10.593 -3.754) 11.239 4.429 ( -0.129 10.593 -3.754) 11.239 5.266 ( -3.190 -3.902 0.971) 5.133 5.266 ( -3.190 3.902 0.971) 5.133 5.751 ( 2.998 -8.594 -3.791) 9.860 5.751 ( 2.998 8.594 -3.791) 9.860 6.572 ( -5.956 -14.036 1.669) 15.338 6.572 ( -5.956 14.036 1.669) 15.338 7.352 ( 1.505 -2.950 -1.665) 3.707 7.352 ( 1.505 2.950 -1.665) 3.707 7.653 ( 4.520 -10.839 2.424) 11.991 7.653 ( 4.520 10.839 2.424) 11.991 8.717 ( 4.228 -2.850 -3.135) 5.986 8.717 ( 4.228 2.850 -3.135) 5.986 8.901 ( -2.269 -3.982 1.219) 4.742 8.901 ( -2.269 3.982 1.219) 4.742 9.661 ( -4.251 -5.624 5.855) 9.164 9.661 ( -4.251 5.624 5.855) 9.164 11.027 ( 6.940 -9.247 -8.930) 14.609 11.027 ( 6.940 9.247 -8.930) 14.609 11.479 ( 5.480 -3.469 -2.370) 6.905 11.479 ( 5.480 3.469 -2.370) 6.905 12.137 ( -9.980 -4.215 8.244) 13.614 12.137 ( -9.980 4.215 8.244) 13.614 12.646 ( -5.220 -6.502 1.666) 8.503 12.646 ( -5.220 6.502 1.666) 8.503 14.079 ( 4.395 -4.632 -7.676) 9.984 14.079 ( 4.395 4.632 -7.676) 9.984 14.608 ( 4.454 -6.055 4.452) 8.736 14.608 ( 4.454 6.055 4.452) 8.736 18.055 ( -4.808 -2.849 -3.165) 6.422 18.055 ( -4.808 2.849 -3.165) 6.422 18.227 ( -2.812 -3.154 2.666) 4.997 18.227 ( -2.812 3.154 2.666) 4.997 21.145 ( -0.261 -7.053 2.392) 7.452 21.145 ( -0.261 7.053 2.392) 7.452 21.805 ( 0.828 -7.454 -2.716) 7.977 21.805 ( 0.828 7.454 -2.716) 7.977 25.370 ( 0.359 -3.040 0.341) 3.080 25.370 ( 0.359 3.040 0.341) 3.080 25.573 ( 2.848 -3.191 -0.507) 4.307 25.573 ( 2.848 3.191 -0.507) 4.307 29.122 ( -4.117 -0.318 -0.094) 4.130 29.122 ( -4.117 0.318 -0.094) 4.130 29.579 ( 4.863 -2.626 0.181) 5.530 29.579 ( 4.863 2.626 0.181) 5.530 37.995 ( -10.968 -1.058 -0.021) 11.019 37.995 ( -10.968 1.058 -0.021) 11.019 38.870 ( 6.140 -0.687 0.006) 6.178 38.870 ( 6.140 0.687 0.006) 6.178 70.139 ( -4.661 -1.433 0.273) 4.884 70.139 ( -4.661 1.433 0.273) 4.884 74.197 ( 25.264 -23.729 0.429) 34.663 74.197 ( 25.264 23.729 0.429) 34.663 ======================= Grid point 194 (101/168) ======================= q-point: (-0.18 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -3.580 -7.545 -6.356) 10.495 2.066 ( -3.580 7.545 -6.356) 10.495 2.283 ( -13.178 -4.990 0.468) 14.099 2.283 ( -13.178 4.990 0.468) 14.099 2.779 ( -4.643 -6.753 8.581) 11.866 2.779 ( -4.643 6.753 8.581) 11.866 3.310 ( -6.728 -5.434 -4.484) 9.742 3.310 ( -6.728 5.434 -4.484) 9.742 3.451 ( -4.465 -11.897 -0.692) 12.726 3.451 ( -4.465 11.897 -0.692) 12.726 3.970 ( -1.578 -3.995 -2.064) 4.765 3.970 ( -1.578 3.995 -2.064) 4.765 4.461 ( 2.754 -7.713 2.528) 8.571 4.461 ( 2.754 7.713 2.528) 8.571 5.214 ( -2.177 -4.606 -1.236) 5.242 5.214 ( -2.177 4.606 -1.236) 5.242 5.772 ( 0.453 -10.350 0.911) 10.400 5.772 ( 0.453 10.350 0.911) 10.400 6.531 ( -1.721 -15.701 1.891) 15.908 6.531 ( -1.721 15.701 1.891) 15.908 7.319 ( -2.775 -4.751 -0.255) 5.508 7.319 ( -2.775 4.751 -0.255) 5.508 7.793 ( 8.146 -4.813 1.421) 9.568 7.793 ( 8.146 4.814 1.421) 9.568 8.737 ( 0.371 -2.826 -0.733) 2.943 8.737 ( 0.371 2.826 -0.733) 2.943 8.882 ( 1.209 -1.891 -2.037) 3.031 8.882 ( 1.209 1.891 -2.037) 3.031 9.629 ( -4.826 -4.877 2.765) 7.397 9.629 ( -4.826 4.877 2.765) 7.397 11.017 ( 4.302 -7.221 -10.493) 13.444 11.017 ( 4.302 7.221 -10.493) 13.444 11.599 ( 8.701 -3.708 1.691) 9.608 11.599 ( 8.701 3.708 1.691) 9.608 12.057 ( -7.969 -4.354 6.421) 11.122 12.057 ( -7.969 4.354 6.421) 11.122 12.564 ( -7.251 -6.521 1.973) 9.950 12.564 ( -7.251 6.521 1.973) 9.950 14.056 ( 1.502 -5.866 -5.526) 8.198 14.056 ( 1.502 5.866 -5.526) 8.198 14.747 ( 6.139 -9.768 4.135) 12.256 14.747 ( 6.139 9.768 4.135) 12.256 17.917 ( -5.164 -3.972 -5.175) 8.320 17.917 ( -5.164 3.972 -5.175) 8.320 18.230 ( -2.091 -2.769 3.866) 5.195 18.230 ( -2.091 2.769 3.866) 5.195 21.165 ( -0.837 -6.626 3.612) 7.593 21.165 ( -0.837 6.626 3.612) 7.593 21.796 ( 1.178 -3.827 -2.599) 4.774 21.796 ( 1.178 3.827 -2.599) 4.774 25.375 ( 0.437 -4.347 -0.213) 4.374 25.375 ( 0.437 4.347 -0.213) 4.374 25.617 ( 2.537 -4.630 -0.066) 5.280 25.617 ( 2.537 4.630 -0.066) 5.280 29.063 ( -2.896 -0.446 -0.072) 2.931 29.063 ( -2.896 0.446 -0.072) 2.931 29.651 ( 3.611 -3.440 0.171) 4.990 29.651 ( 3.611 3.440 0.171) 4.990 37.833 ( -8.494 -0.930 -0.008) 8.545 37.833 ( -8.494 0.930 -0.008) 8.545 38.953 ( 4.024 -0.512 0.001) 4.056 38.953 ( 4.024 0.512 0.001) 4.056 70.070 ( -4.050 -1.247 0.437) 4.260 70.070 ( -4.050 1.247 0.437) 4.260 74.615 ( 24.311 -35.950 -0.518) 43.401 74.615 ( 24.311 35.950 -0.518) 43.401 ======================= Grid point 196 (102/168) ======================= q-point: (-0.09 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -11.104 -4.157 0.640) 11.874 1.911 ( -11.104 4.157 0.640) 11.874 2.145 ( -0.379 -7.639 -1.766) 7.849 2.145 ( -0.379 7.639 -1.766) 7.849 2.756 ( -3.561 -6.976 -3.687) 8.657 2.756 ( -3.561 6.976 -3.687) 8.657 3.111 ( -7.602 -1.505 -5.634) 9.581 3.111 ( -7.602 1.505 -5.634) 9.581 3.429 ( -1.243 -9.812 2.855) 10.295 3.429 ( -1.243 9.812 2.855) 10.295 3.983 ( 2.058 -3.895 4.240) 6.114 3.983 ( 2.058 3.895 4.240) 6.114 4.524 ( 1.353 -5.610 2.541) 6.305 4.524 ( 1.353 5.610 2.541) 6.305 5.175 ( -1.079 -4.021 -1.748) 4.516 5.175 ( -1.079 4.021 -1.748) 4.516 5.784 ( -0.720 -12.510 2.614) 12.800 5.784 ( -0.720 12.510 2.614) 12.800 6.529 ( -0.653 -16.137 0.600) 16.161 6.529 ( -0.653 16.137 0.600) 16.161 7.278 ( -2.025 -2.639 0.021) 3.326 7.278 ( -2.025 2.639 0.021) 3.326 7.905 ( 4.349 -3.676 -0.679) 5.735 7.905 ( 4.349 3.676 -0.679) 5.735 8.722 ( -1.503 -1.201 0.569) 2.006 8.722 ( -1.503 1.201 0.569) 2.006 8.913 ( 4.326 -1.634 -1.431) 4.840 8.913 ( 4.326 1.634 -1.431) 4.840 9.565 ( -4.308 -5.383 -0.188) 6.898 9.565 ( -4.308 5.383 -0.188) 6.898 10.982 ( 4.215 -5.175 -9.918) 11.954 10.982 ( 4.215 5.175 -9.918) 11.954 11.752 ( 4.384 -12.945 4.994) 14.551 11.752 ( 4.384 12.945 4.994) 14.551 12.023 ( -1.475 -7.918 2.904) 8.561 12.023 ( -1.475 7.918 2.904) 8.561 12.456 ( -8.447 -6.228 3.436) 11.042 12.456 ( -8.447 6.228 3.436) 11.042 14.038 ( 1.971 -6.629 -3.362) 7.690 14.038 ( 1.971 6.629 -3.362) 7.690 14.854 ( 2.553 -12.049 1.654) 12.427 14.854 ( 2.553 12.049 1.654) 12.427 17.826 ( -1.169 -2.748 -1.403) 3.299 17.826 ( -1.169 2.748 -1.403) 3.299 18.215 ( -2.694 -4.672 0.685) 5.436 18.215 ( -2.694 4.672 0.685) 5.436 21.193 ( -1.401 -5.623 5.670) 8.107 21.193 ( -1.401 5.623 5.670) 8.107 21.789 ( 1.431 -1.268 -3.184) 3.714 21.789 ( 1.431 1.268 -3.184) 3.714 25.384 ( 0.530 -4.647 0.429) 4.697 25.384 ( 0.530 4.647 0.429) 4.697 25.648 ( 1.368 -5.093 -0.519) 5.299 25.648 ( 1.368 5.093 -0.519) 5.299 29.027 ( -1.462 -0.510 0.016) 1.549 29.027 ( -1.462 0.510 0.016) 1.549 29.697 ( 1.864 -3.767 0.034) 4.203 29.697 ( 1.864 3.767 0.034) 4.203 37.724 ( -4.640 -0.718 0.009) 4.695 37.724 ( -4.640 0.718 0.009) 4.695 39.002 ( 1.972 -0.358 -0.000) 2.004 39.002 ( 1.972 0.358 -0.000) 2.004 70.021 ( -2.442 -1.035 0.493) 2.698 70.021 ( -2.442 1.035 0.493) 2.698 74.932 ( 14.875 -42.231 -2.327) 44.835 74.932 ( 14.875 42.231 -2.327) 44.835 ======================= Grid point 242 (103/168) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -0.410 0.000 23.854) 23.858 1.453 ( -8.454 0.000 26.475) 27.792 1.854 ( 7.524 0.000 -14.306) 16.163 1.987 ( 6.817 0.000 -18.370) 19.594 2.109 ( 0.769 0.000 41.799) 41.806 2.626 ( -5.756 0.000 0.571) 5.784 2.769 ( -2.560 0.000 -3.144) 4.054 3.046 ( 4.182 0.000 -32.216) 32.486 3.295 ( -7.088 0.000 0.651) 7.117 3.376 ( -1.998 0.000 -0.593) 2.084 3.509 ( 1.843 0.000 9.398) 9.577 3.855 ( -0.407 0.000 -15.751) 15.756 4.465 ( 15.776 0.000 10.422) 18.908 4.625 ( -9.112 0.000 -4.369) 10.105 4.821 ( 5.042 0.000 5.694) 7.605 4.934 ( -3.147 0.000 -3.934) 5.038 5.240 ( 5.087 0.000 2.400) 5.624 5.282 ( -5.392 0.000 -1.931) 5.727 6.605 ( 7.225 0.000 -1.741) 7.431 6.607 ( -10.407 0.000 -2.243) 10.646 7.239 ( 5.623 0.000 3.343) 6.542 7.358 ( -6.128 0.000 -6.868) 9.205 7.849 ( 11.698 0.000 3.692) 12.267 7.931 ( -9.553 0.000 -3.811) 10.285 8.409 ( -2.251 0.000 3.556) 4.209 8.452 ( 4.014 0.000 -0.274) 4.024 8.987 ( -8.381 0.000 5.770) 10.175 9.062 ( 12.529 0.000 -2.011) 12.689 10.068 ( 15.902 0.000 10.995) 19.333 10.210 ( -19.200 0.000 0.232) 19.201 10.302 ( -4.642 0.000 -1.431) 4.858 10.313 ( 8.510 0.000 -3.295) 9.126 11.005 ( 3.365 0.000 1.560) 3.709 11.106 ( -3.139 0.000 -7.511) 8.140 12.164 ( 0.532 0.000 -1.608) 1.693 12.203 ( -0.927 0.000 -5.681) 5.756 13.315 ( 11.013 0.000 0.693) 11.034 13.321 ( -7.218 0.000 0.297) 7.224 14.119 ( -8.506 0.000 6.299) 10.584 14.173 ( 6.941 0.000 2.063) 7.241 14.656 ( -2.850 0.000 4.616) 5.425 14.822 ( 5.562 0.000 -9.197) 10.748 17.502 ( 2.874 0.000 1.904) 3.447 17.549 ( -2.736 0.000 -2.183) 3.501 18.246 ( 16.630 0.000 1.359) 16.685 18.267 ( -10.123 0.000 -0.572) 10.139 21.339 ( -2.527 0.000 10.197) 10.505 21.596 ( 2.048 0.000 -12.909) 13.071 22.929 ( 16.176 0.000 7.472) 17.818 23.058 ( -27.743 0.000 -4.295) 28.073 24.801 ( 0.487 0.000 -0.063) 0.491 24.807 ( -0.525 0.000 -0.609) 0.804 26.514 ( 10.453 0.000 0.768) 10.481 26.526 ( -5.763 0.000 -0.283) 5.770 29.013 ( 0.266 0.000 0.883) 0.923 29.038 ( -0.332 0.000 -1.330) 1.370 29.859 ( 2.872 0.000 5.070) 5.827 29.967 ( -6.025 0.000 -4.571) 7.563 37.664 ( -1.273 0.000 0.938) 1.581 37.685 ( 2.809 0.000 -0.976) 2.974 39.020 ( -0.337 0.000 0.847) 0.911 39.039 ( 0.331 0.000 -0.807) 0.873 69.494 ( -1.202 0.000 1.611) 2.010 69.533 ( 1.178 0.000 -1.857) 2.199 73.658 ( -1.621 0.000 2.962) 3.376 73.722 ( 1.975 0.000 -2.660) 3.313 ======================= Grid point 243 (104/168) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -3.720 0.000 13.453) 13.958 1.589 ( -0.399 0.000 10.022) 10.030 1.812 ( 5.701 0.000 -6.774) 8.854 1.951 ( 11.669 0.000 -23.989) 26.676 2.510 ( 0.762 0.000 -14.667) 14.687 2.595 ( 8.806 0.000 37.158) 38.187 2.760 ( 4.225 0.000 -0.407) 4.245 2.940 ( 12.975 0.000 -15.218) 19.998 3.241 ( -4.382 0.000 8.482) 9.547 3.427 ( 6.513 0.000 -1.484) 6.680 3.658 ( 1.345 0.000 17.242) 17.294 3.706 ( 0.631 0.000 -14.487) 14.500 4.340 ( -14.325 0.000 -11.779) 18.546 4.667 ( -4.059 0.000 -3.328) 5.249 4.851 ( 4.300 0.000 -0.049) 4.300 4.914 ( 0.171 0.000 3.834) 3.838 5.213 ( -0.517 0.000 -2.136) 2.198 5.371 ( 7.709 0.000 2.103) 7.991 6.461 ( -7.071 0.000 2.164) 7.394 6.746 ( 9.122 0.000 2.314) 9.411 7.166 ( -10.777 0.000 -4.729) 11.769 7.357 ( 1.933 0.000 3.868) 4.324 7.731 ( -7.513 0.000 -2.612) 7.954 8.027 ( 6.661 0.000 1.955) 6.942 8.401 ( -1.523 0.000 0.051) 1.523 8.495 ( 3.199 0.000 -2.760) 4.225 8.905 ( -5.741 0.000 1.582) 5.954 9.253 ( 14.967 0.000 -5.597) 15.979 9.801 ( -19.797 0.000 -6.372) 20.797 10.097 ( -8.136 0.000 4.142) 9.129 10.543 ( 16.854 0.000 -1.328) 16.906 10.620 ( 27.028 0.000 2.238) 27.121 10.991 ( -1.875 0.000 -5.126) 5.458 11.087 ( 2.149 0.000 5.251) 5.673 12.180 ( 1.367 0.000 2.006) 2.428 12.187 ( 3.533 0.000 -3.176) 4.750 13.133 ( -13.689 0.000 -3.041) 14.023 13.413 ( 2.331 0.000 -1.787) 2.937 14.056 ( -5.355 0.000 3.301) 6.291 14.329 ( 10.026 0.000 0.962) 10.072 14.610 ( -8.046 0.000 4.076) 9.020 14.761 ( -1.107 0.000 -8.947) 9.015 17.522 ( 1.972 0.000 -2.544) 3.219 17.610 ( 7.275 0.000 2.163) 7.590 18.096 ( -6.953 0.000 -3.118) 7.620 18.508 ( 16.706 0.000 -5.511) 17.591 21.389 ( -4.699 0.000 11.655) 12.567 21.495 ( 0.441 0.000 -11.159) 11.168 22.596 ( -27.780 0.000 4.004) 28.067 23.257 ( 11.197 0.000 11.842) 16.298 24.816 ( 1.979 0.000 -0.239) 1.993 24.835 ( 3.467 0.000 0.228) 3.475 26.327 ( -15.516 0.000 -5.405) 16.430 26.565 ( -2.291 0.000 -0.549) 2.356 29.033 ( 1.291 0.000 -1.053) 1.666 29.040 ( 1.784 0.000 1.108) 2.100 29.810 ( -8.123 0.000 -1.593) 8.277 29.919 ( -2.826 0.000 5.312) 6.017 37.684 ( 3.191 0.000 0.306) 3.205 37.741 ( 5.720 0.000 -2.119) 6.100 39.003 ( -2.789 0.000 0.821) 2.908 39.016 ( -2.090 0.000 -0.808) 2.241 69.509 ( 0.949 0.000 1.434) 1.720 69.550 ( 2.964 0.000 -1.448) 3.299 73.456 ( -24.953 0.000 -2.725) 25.102 73.515 ( -21.730 0.000 2.533) 21.877 ======================= Grid point 244 (105/168) ======================= q-point: ( 0.18 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -7.765 0.000 5.265) 9.381 1.584 ( 9.617 0.000 -17.060) 19.583 1.820 ( 7.580 0.000 -32.118) 33.000 2.000 ( 3.924 0.000 20.237) 20.614 2.467 ( 12.407 0.000 -15.658) 19.978 2.892 ( 10.317 0.000 3.928) 11.039 3.089 ( 12.159 0.000 -3.400) 12.625 3.110 ( 14.377 0.000 25.565) 29.330 3.291 ( -0.322 0.000 7.064) 7.072 3.474 ( 0.968 0.000 -2.536) 2.714 3.615 ( 0.085 0.000 -2.774) 2.776 3.905 ( 6.215 0.000 17.707) 18.766 3.995 ( -7.244 0.000 -16.666) 18.173 4.398 ( -15.793 0.000 -8.638) 18.001 4.920 ( -2.455 0.000 2.146) 3.261 4.971 ( 8.050 0.000 -3.874) 8.933 5.216 ( 3.737 0.000 -2.638) 4.574 5.518 ( 7.871 0.000 1.194) 7.961 6.418 ( -3.872 0.000 7.009) 8.007 6.895 ( -11.563 0.000 4.485) 12.402 6.943 ( 3.137 0.000 -0.875) 3.257 7.200 ( -16.760 0.000 -6.322) 17.913 7.835 ( 12.270 0.000 10.600) 16.214 8.119 ( 2.162 0.000 2.339) 3.185 8.345 ( -2.538 0.000 -4.283) 4.978 8.501 ( 1.827 0.000 -4.569) 4.921 8.847 ( -3.505 0.000 2.994) 4.609 9.394 ( -2.586 0.000 -0.030) 2.587 9.500 ( 4.829 0.000 -16.586) 17.275 10.027 ( -0.996 0.000 -3.662) 3.795 10.810 ( 2.122 0.000 -8.006) 8.282 10.835 ( 19.204 0.000 0.902) 19.225 11.181 ( 0.766 0.000 9.146) 9.178 11.181 ( 21.989 0.000 5.163) 22.587 12.238 ( 6.327 0.000 -3.670) 7.314 12.253 ( 0.713 0.000 9.152) 9.180 12.846 ( -14.711 0.000 -5.424) 15.679 13.380 ( -2.918 0.000 -2.849) 4.078 14.002 ( -4.444 0.000 1.569) 4.712 14.451 ( -10.911 0.000 7.824) 13.426 14.540 ( 10.513 0.000 -5.291) 11.770 14.636 ( -3.977 0.000 -6.588) 7.696 17.531 ( 1.656 0.000 -2.974) 3.405 17.766 ( 8.874 0.000 2.071) 9.112 18.044 ( 3.126 0.000 1.233) 3.361 18.670 ( 12.788 0.000 -10.221) 16.371 21.397 ( -0.055 0.000 -9.080) 9.080 21.411 ( -7.745 0.000 13.033) 15.161 22.235 ( -23.105 0.000 7.121) 24.177 23.483 ( 1.619 0.000 9.544) 9.680 24.861 ( 3.262 0.000 0.106) 3.263 24.916 ( 5.982 0.000 0.240) 5.987 25.931 ( -19.209 0.000 -13.323) 23.377 26.467 ( -8.360 0.000 -0.668) 8.386 29.060 ( 2.981 0.000 -0.658) 3.053 29.090 ( 2.884 0.000 1.108) 3.090 29.682 ( -6.394 0.000 -0.524) 6.416 29.850 ( -9.142 0.000 0.907) 9.186 37.781 ( 8.076 0.000 0.769) 8.112 37.832 ( 8.015 0.000 -2.124) 8.292 38.945 ( -5.260 0.000 0.732) 5.310 38.956 ( -4.299 0.000 -0.743) 4.363 69.547 ( 2.129 0.000 0.805) 2.276 69.598 ( 4.162 0.000 -1.160) 4.320 72.811 ( -37.210 0.000 -18.069) 41.365 73.152 ( -26.628 0.000 5.888) 27.272 ======================= Grid point 245 (106/168) ======================= q-point: ( 0.27 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -3.065 0.000 3.155) 4.399 1.657 ( 19.230 0.000 -15.458) 24.672 1.698 ( 14.481 0.000 -21.546) 25.960 2.237 ( -0.871 0.000 20.371) 20.390 2.515 ( 7.808 0.000 -12.510) 14.747 3.095 ( -7.921 0.000 0.520) 7.938 3.158 ( 15.324 0.000 6.227) 16.540 3.386 ( -6.915 0.000 -0.651) 6.946 3.432 ( 16.062 0.000 -8.065) 17.973 3.548 ( 12.696 0.000 7.953) 14.981 3.584 ( -6.772 0.000 4.683) 8.234 3.938 ( 14.622 0.000 -3.808) 15.110 4.054 ( -16.469 0.000 -2.549) 16.665 4.148 ( 4.340 0.000 10.501) 11.363 4.888 ( -3.199 0.000 1.151) 3.400 5.022 ( 7.269 0.000 -9.653) 12.084 5.284 ( 7.498 0.000 -2.455) 7.890 5.643 ( 6.281 0.000 0.057) 6.282 6.469 ( -1.299 0.000 11.514) 11.587 6.614 ( -19.192 0.000 1.710) 19.268 6.830 ( -17.302 0.000 -8.669) 19.352 7.094 ( 5.279 0.000 5.970) 7.969 8.100 ( -4.467 0.000 -4.710) 6.491 8.147 ( 7.159 0.000 13.266) 15.074 8.303 ( 1.504 0.000 1.226) 1.941 8.460 ( -0.738 0.000 -5.256) 5.308 8.877 ( -0.077 0.000 9.874) 9.875 9.200 ( -10.642 0.000 -1.543) 10.753 9.583 ( 16.364 0.000 -17.676) 24.088 9.962 ( 1.801 0.000 -12.885) 13.010 10.818 ( 6.355 0.000 -0.351) 6.365 11.163 ( 15.708 0.000 3.256) 16.042 11.308 ( 2.969 0.000 12.980) 13.315 11.540 ( 19.352 0.000 -3.029) 19.588 12.308 ( 8.053 0.000 -6.323) 10.239 12.360 ( -4.018 0.000 14.428) 14.977 12.605 ( -8.418 0.000 -1.224) 8.507 13.278 ( -4.999 0.000 -3.788) 6.272 13.934 ( -5.610 0.000 0.856) 5.675 14.270 ( -15.746 0.000 4.893) 16.489 14.529 ( -2.615 0.000 -2.849) 3.867 14.700 ( 11.531 0.000 -4.349) 12.324 17.536 ( 1.925 0.000 0.142) 1.930 17.928 ( 7.955 0.000 1.997) 8.202 18.195 ( 7.492 0.000 7.788) 10.807 18.735 ( 9.938 0.000 -13.574) 16.823 21.320 ( 0.597 0.000 -7.080) 7.105 21.390 ( -11.260 0.000 13.907) 17.894 21.981 ( -17.128 0.000 8.360) 19.059 23.435 ( -8.929 0.000 -8.629) 12.418 24.917 ( 3.709 0.000 0.191) 3.714 25.029 ( 7.544 0.000 -0.207) 7.547 25.558 ( -9.316 0.000 -9.241) 13.122 26.291 ( -11.301 0.000 -1.861) 11.453 29.116 ( 4.461 0.000 -0.359) 4.476 29.153 ( 3.492 0.000 0.914) 3.610 29.583 ( -5.234 0.000 -0.486) 5.257 29.676 ( -9.447 0.000 -3.111) 9.946 37.953 ( 10.813 0.000 1.868) 10.973 37.960 ( 9.903 0.000 -1.606) 10.032 38.846 ( -7.612 0.000 0.638) 7.638 38.863 ( -6.125 0.000 -0.666) 6.161 69.589 ( 2.416 0.000 -0.057) 2.417 69.649 ( 3.770 0.000 -2.521) 4.536 72.074 ( -23.512 0.000 -21.404) 31.796 72.775 ( -25.947 0.000 4.905) 26.407 ======================= Grid point 246 (107/168) ======================= q-point: ( 0.36 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 10.335 0.000 4.969) 11.467 1.876 ( 22.311 0.000 -11.839) 25.258 1.918 ( 24.065 0.000 -0.781) 24.077 2.367 ( -4.383 0.000 15.694) 16.294 2.437 ( -6.705 0.000 -2.733) 7.241 2.969 ( -5.080 0.000 -2.890) 5.845 3.160 ( -16.335 0.000 -6.097) 17.435 3.430 ( 4.062 0.000 2.479) 4.758 3.449 ( 0.426 0.000 -6.847) 6.860 3.631 ( 6.411 0.000 -4.902) 8.071 3.685 ( 12.403 0.000 -2.002) 12.564 3.955 ( -4.787 0.000 7.927) 9.260 4.211 ( -2.726 0.000 1.080) 2.932 4.240 ( 16.189 0.000 6.204) 17.337 4.855 ( -1.456 0.000 1.678) 2.222 5.066 ( 9.874 0.000 -7.709) 12.527 5.400 ( 8.777 0.000 -2.090) 9.023 5.706 ( 1.253 0.000 -1.047) 1.633 6.333 ( -17.668 0.000 3.769) 18.066 6.480 ( -14.473 0.000 -2.238) 14.645 6.618 ( 3.381 0.000 8.743) 9.374 7.215 ( 1.827 0.000 5.478) 5.774 7.956 ( -2.616 0.000 -7.980) 8.398 8.265 ( -3.085 0.000 3.807) 4.900 8.371 ( 1.693 0.000 4.500) 4.807 8.394 ( -2.218 0.000 -1.264) 2.553 9.014 ( -0.056 0.000 15.038) 15.038 9.062 ( -5.712 0.000 1.235) 5.844 9.646 ( 13.721 0.000 -18.972) 23.414 9.816 ( -0.625 0.000 -17.614) 17.626 11.018 ( 12.496 0.000 6.949) 14.298 11.340 ( 1.360 0.000 8.570) 8.677 11.555 ( 8.072 0.000 10.715) 13.415 11.758 ( 15.625 0.000 -9.940) 18.519 12.342 ( -7.645 0.000 5.736) 9.558 12.371 ( 9.772 0.000 -10.247) 14.160 12.601 ( -2.939 0.000 13.822) 14.131 13.159 ( -3.542 0.000 -5.400) 6.458 13.839 ( -6.308 0.000 0.989) 6.385 14.055 ( -15.442 0.000 4.011) 15.954 14.508 ( 0.713 0.000 1.712) 1.855 14.803 ( 6.836 0.000 -5.838) 8.989 17.620 ( 4.607 0.000 6.162) 7.694 18.050 ( 4.133 0.000 1.576) 4.423 18.375 ( 2.156 0.000 10.192) 10.418 18.743 ( 9.872 0.000 -16.444) 19.180 21.280 ( 2.362 0.000 -5.664) 6.137 21.317 ( -13.660 0.000 12.757) 18.691 21.849 ( -11.278 0.000 11.948) 16.430 23.078 ( -8.837 0.000 -28.154) 29.509 25.004 ( 5.012 0.000 2.938) 5.809 25.147 ( 7.362 0.000 -1.229) 7.464 25.452 ( -0.912 0.000 1.790) 2.009 26.071 ( -11.849 0.000 -3.708) 12.416 29.196 ( 5.578 0.000 -0.274) 5.585 29.219 ( 3.486 0.000 0.746) 3.565 29.496 ( -4.757 0.000 -0.797) 4.824 29.509 ( -6.963 0.000 -2.845) 7.521 38.119 ( 10.661 0.000 -0.872) 10.697 38.153 ( 10.835 0.000 1.747) 10.975 38.711 ( -9.395 0.000 0.690) 9.420 38.746 ( -7.177 0.000 -0.716) 7.213 69.620 ( 1.921 0.000 -0.849) 2.100 69.665 ( 2.429 0.000 -4.292) 4.932 71.703 ( -3.444 0.000 -9.252) 9.872 72.406 ( -22.954 0.000 1.653) 23.013 ======================= Grid point 247 (108/168) ======================= q-point: ( 0.45 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 19.420 0.000 7.853) 20.948 2.061 ( 8.332 0.000 -7.485) 11.200 2.154 ( -4.000 0.000 -1.925) 4.440 2.459 ( 2.246 0.000 10.503) 10.740 2.536 ( 16.519 0.000 20.994) 26.714 2.763 ( -18.787 0.000 -12.456) 22.541 2.869 ( -1.936 0.000 -3.190) 3.731 3.337 ( -8.488 0.000 0.726) 8.519 3.414 ( 2.915 0.000 -5.563) 6.281 3.732 ( -15.233 0.000 -18.296) 23.807 3.823 ( 8.106 0.000 1.741) 8.291 3.834 ( 7.339 0.000 -1.986) 7.603 4.218 ( -0.911 0.000 8.973) 9.019 4.457 ( 5.327 0.000 -1.501) 5.535 4.933 ( 6.199 0.000 6.976) 9.332 5.164 ( 6.467 0.000 -4.656) 7.969 5.514 ( 8.193 0.000 -2.327) 8.517 5.641 ( -7.505 0.000 -1.958) 7.757 6.143 ( -10.583 0.000 6.377) 12.356 6.278 ( -4.540 0.000 -4.176) 6.169 6.810 ( 5.587 0.000 12.972) 14.124 7.221 ( -3.649 0.000 -2.380) 4.357 7.924 ( 4.858 0.000 -1.066) 4.973 8.163 ( -7.775 0.000 -3.754) 8.634 8.375 ( -1.398 0.000 2.897) 3.217 8.423 ( 1.118 0.000 1.367) 1.766 9.045 ( -1.398 0.000 6.720) 6.863 9.130 ( -3.394 0.000 13.101) 13.534 9.616 ( -2.670 0.000 -16.078) 16.299 9.664 ( 11.768 0.000 -18.848) 22.220 11.294 ( 10.238 0.000 8.048) 13.022 11.419 ( -2.098 0.000 8.482) 8.737 11.675 ( -6.020 0.000 8.427) 10.356 11.872 ( 12.453 0.000 -12.348) 17.537 12.286 ( -7.151 0.000 6.435) 9.620 12.431 ( 10.247 0.000 -11.253) 15.219 12.701 ( -2.265 0.000 14.519) 14.695 13.067 ( 1.049 0.000 -8.687) 8.750 13.787 ( -0.891 0.000 2.415) 2.574 13.865 ( -11.379 0.000 3.258) 11.836 14.568 ( 1.765 0.000 5.045) 5.345 14.807 ( 2.125 0.000 -7.702) 7.990 17.794 ( 6.259 0.000 9.831) 11.654 18.072 ( -2.128 0.000 -0.976) 2.341 18.446 ( -5.596 0.000 9.848) 11.327 18.750 ( 12.077 0.000 -17.823) 21.529 21.215 ( -12.129 0.000 10.486) 16.034 21.290 ( 5.495 0.000 -4.765) 7.273 21.846 ( -7.943 0.000 18.904) 20.505 22.678 ( -2.061 0.000 -32.199) 32.265 25.113 ( 2.396 0.000 4.745) 5.315 25.227 ( 4.107 0.000 -2.577) 4.849 25.523 ( 4.653 0.000 5.789) 7.427 25.847 ( -9.023 0.000 -5.865) 10.761 29.277 ( 1.979 0.000 1.097) 2.263 29.289 ( 6.084 0.000 -0.624) 6.115 29.391 ( -5.232 0.000 -0.907) 5.310 29.414 ( -3.502 0.000 -1.445) 3.789 38.276 ( 8.168 0.000 0.043) 8.168 38.318 ( 6.351 0.000 0.373) 6.362 38.572 ( -7.163 0.000 1.366) 7.292 38.626 ( -5.496 0.000 -1.189) 5.623 69.632 ( 0.675 0.000 -1.191) 1.369 69.653 ( 1.129 0.000 -3.542) 3.718 71.732 ( 10.546 0.000 0.433) 10.555 72.065 ( -18.119 0.000 -2.075) 18.237 ======================= Grid point 248 (109/168) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -15.645 0.000 2.029) 15.776 1.952 ( -16.043 0.000 0.028) 16.043 2.357 ( -12.312 0.000 -13.805) 18.498 2.414 ( 19.534 0.000 17.027) 25.914 2.671 ( 12.280 0.000 3.368) 12.734 2.693 ( 0.338 0.000 -8.293) 8.300 3.153 ( -18.295 0.000 -17.721) 25.470 3.213 ( 21.590 0.000 24.494) 32.651 3.277 ( -10.402 0.000 -1.524) 10.513 3.427 ( 4.051 0.000 -2.997) 5.039 3.832 ( -6.008 0.000 -1.680) 6.239 3.861 ( -1.712 0.000 -2.863) 3.336 4.346 ( 4.148 0.000 7.914) 8.935 4.449 ( 2.676 0.000 -8.735) 9.136 5.079 ( 0.679 0.000 4.026) 4.083 5.098 ( -6.611 0.000 -7.632) 10.098 5.458 ( -11.932 0.000 0.944) 11.969 5.637 ( 7.390 0.000 -0.517) 7.408 6.141 ( 2.173 0.000 7.488) 7.797 6.256 ( 5.880 0.000 -3.046) 6.622 7.044 ( 7.522 0.000 11.877) 14.058 7.078 ( -5.186 0.000 -9.583) 10.896 7.969 ( -10.204 0.000 -3.919) 10.931 8.053 ( 6.905 0.000 4.621) 8.308 8.404 ( 1.717 0.000 2.014) 2.646 8.449 ( 2.810 0.000 -1.909) 3.397 9.124 ( 0.063 0.000 9.676) 9.676 9.157 ( -5.398 0.000 6.781) 8.667 9.436 ( -3.819 0.000 -8.026) 8.889 9.667 ( 10.729 0.000 -17.211) 20.281 11.409 ( -6.423 0.000 -1.191) 6.533 11.465 ( 3.152 0.000 3.047) 4.384 11.569 ( -15.957 0.000 13.223) 20.723 11.927 ( 7.786 0.000 -11.818) 14.152 12.205 ( -11.507 0.000 8.585) 14.357 12.458 ( 5.167 0.000 -9.031) 10.405 12.824 ( 1.257 0.000 12.398) 12.461 13.022 ( 6.510 0.000 -13.239) 14.753 13.775 ( -2.674 0.000 2.669) 3.778 13.876 ( 7.703 0.000 3.613) 8.508 14.643 ( 0.180 0.000 5.920) 5.923 14.730 ( -1.267 0.000 -8.549) 8.643 17.965 ( -6.650 0.000 -5.095) 8.378 17.991 ( 5.807 0.000 7.919) 9.820 18.404 ( -11.202 0.000 11.138) 15.797 18.773 ( 11.873 0.000 -18.777) 22.216 21.147 ( -7.676 0.000 8.985) 11.817 21.370 ( 9.580 0.000 -4.086) 10.415 21.965 ( -5.869 0.000 28.694) 29.288 22.388 ( 3.265 0.000 -28.357) 28.544 25.151 ( -3.150 0.000 4.163) 5.220 25.210 ( -2.731 0.000 -3.526) 4.460 25.681 ( -2.379 0.000 -8.342) 8.675 25.713 ( 10.684 0.000 6.205) 12.355 29.271 ( -4.353 0.000 0.932) 4.452 29.299 ( -3.891 0.000 -0.739) 3.960 29.390 ( 2.537 0.000 -0.852) 2.676 29.394 ( 5.505 0.000 0.185) 5.508 38.280 ( -9.142 0.000 -0.247) 9.145 38.320 ( -4.465 0.000 0.248) 4.472 38.595 ( 6.462 0.000 1.507) 6.636 38.605 ( 5.859 0.000 -1.505) 6.049 69.619 ( -1.054 0.000 -0.625) 1.225 69.635 ( -0.026 0.000 -1.733) 1.734 71.783 ( -12.033 0.000 -4.258) 12.765 72.006 ( 19.471 0.000 3.184) 19.730 ======================= Grid point 249 (110/168) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -23.692 0.000 0.393) 23.695 1.634 ( -23.595 0.000 7.385) 24.724 2.062 ( -10.409 0.000 -10.976) 15.126 2.596 ( 0.039 0.000 -5.940) 5.940 2.604 ( -19.283 0.000 -17.117) 25.784 2.902 ( 10.747 0.000 2.650) 11.069 2.929 ( 19.478 0.000 14.981) 24.573 3.234 ( -4.161 0.000 9.172) 10.072 3.424 ( -1.395 0.000 0.676) 1.550 3.658 ( -12.457 0.000 -0.198) 12.459 3.666 ( -4.195 0.000 -1.906) 4.608 3.847 ( 14.764 0.000 13.020) 19.685 4.406 ( 5.471 0.000 -13.803) 14.848 4.407 ( -2.106 0.000 -4.921) 5.352 4.901 ( -5.884 0.000 -4.009) 7.120 4.989 ( -10.569 0.000 -1.441) 10.666 5.320 ( -9.786 0.000 5.389) 11.172 5.698 ( -0.330 0.000 0.613) 0.696 6.344 ( 12.823 0.000 6.408) 14.335 6.391 ( 12.216 0.000 -0.774) 12.241 6.896 ( -3.162 0.000 -12.107) 12.513 7.250 ( 5.625 0.000 3.777) 6.775 7.809 ( -6.174 0.000 3.487) 7.091 8.200 ( 4.503 0.000 5.300) 6.954 8.449 ( 2.479 0.000 -1.760) 3.040 8.476 ( 3.336 0.000 -3.734) 5.007 9.104 ( -4.822 0.000 1.782) 5.141 9.200 ( -0.639 0.000 4.271) 4.318 9.345 ( -4.426 0.000 2.581) 5.124 9.686 ( 9.447 0.000 -11.772) 15.093 11.151 ( -17.523 0.000 -5.496) 18.364 11.458 ( -3.876 0.000 -2.982) 4.890 11.490 ( -12.422 0.000 14.073) 18.771 11.799 ( -10.961 0.000 -8.259) 13.724 12.167 ( -2.011 0.000 6.813) 7.103 12.448 ( 3.463 0.000 -5.273) 6.308 12.984 ( 4.440 0.000 9.942) 10.888 12.997 ( 8.961 0.000 -18.683) 20.721 13.820 ( 4.183 0.000 2.206) 4.729 14.081 ( 11.997 0.000 3.625) 12.533 14.617 ( -2.162 0.000 -7.320) 7.633 14.673 ( -3.299 0.000 4.282) 5.405 17.781 ( -7.651 0.000 -7.065) 10.414 18.078 ( -1.463 0.000 -0.663) 1.606 18.365 ( -8.636 0.000 17.155) 19.206 18.729 ( 6.408 0.000 -22.165) 23.072 21.141 ( -3.386 0.000 7.519) 8.247 21.514 ( 12.668 0.000 -4.528) 13.453 22.220 ( 6.787 0.000 -21.994) 23.018 22.251 ( -0.646 0.000 41.757) 41.762 25.088 ( -6.610 0.000 -3.807) 7.628 25.105 ( -6.101 0.000 2.599) 6.632 25.588 ( 1.271 0.000 -10.058) 10.138 25.969 ( 12.986 0.000 5.312) 14.031 29.191 ( -5.273 0.000 0.139) 5.274 29.230 ( -3.862 0.000 -0.143) 3.865 29.450 ( 3.928 0.000 1.860) 4.346 29.485 ( 5.491 0.000 -0.116) 5.492 38.105 ( -11.265 0.000 0.355) 11.270 38.189 ( -9.268 0.000 -1.309) 9.360 38.727 ( 7.452 0.000 0.890) 7.505 38.729 ( 9.055 0.000 -0.858) 9.096 69.591 ( -2.486 0.000 1.241) 2.779 69.617 ( -0.820 0.000 -0.688) 1.071 71.605 ( -5.458 0.000 -1.375) 5.628 72.398 ( 24.365 0.000 2.090) 24.455 ======================= Grid point 250 (111/168) ======================= q-point: (-0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -23.271 0.000 8.815) 24.885 1.319 ( -25.360 0.000 12.541) 28.292 1.807 ( -1.797 0.000 -16.268) 16.367 2.221 ( -23.992 0.000 9.431) 25.779 2.526 ( -2.276 0.000 -6.134) 6.543 3.068 ( 4.406 0.000 3.378) 5.552 3.233 ( -11.751 0.000 1.733) 11.878 3.289 ( -0.514 0.000 5.736) 5.759 3.378 ( 9.216 0.000 4.594) 10.298 3.491 ( -6.526 0.000 5.266) 8.385 3.543 ( -0.867 0.000 -2.480) 2.627 4.163 ( -10.981 0.000 -16.567) 19.876 4.202 ( 11.462 0.000 4.996) 12.504 4.333 ( 5.746 0.000 -19.350) 20.185 4.819 ( -10.056 0.000 5.304) 11.369 4.878 ( 1.959 0.000 1.692) 2.589 5.216 ( -8.277 0.000 4.105) 9.239 5.650 ( -5.336 0.000 -0.006) 5.336 6.609 ( 7.106 0.000 3.060) 7.737 6.615 ( 13.427 0.000 2.167) 13.600 6.788 ( 9.186 0.000 -8.997) 12.858 7.244 ( -2.667 0.000 -6.974) 7.467 7.896 ( 5.077 0.000 12.252) 13.263 8.293 ( 0.850 0.000 3.133) 3.247 8.418 ( -1.150 0.000 -6.923) 7.018 8.457 ( -0.595 0.000 -5.823) 5.853 9.081 ( -5.081 0.000 10.101) 11.307 9.144 ( -3.319 0.000 -10.392) 10.909 9.329 ( -0.295 0.000 2.427) 2.444 9.747 ( 5.717 0.000 -0.811) 5.774 10.823 ( -16.385 0.000 -0.515) 16.393 11.254 ( -16.840 0.000 -4.914) 17.542 11.403 ( -12.700 0.000 8.899) 15.507 11.538 ( -8.973 0.000 -6.350) 10.993 12.208 ( 0.159 0.000 2.567) 2.572 12.500 ( 6.707 0.000 0.295) 6.713 12.914 ( 6.535 0.000 -25.436) 26.262 13.154 ( 5.443 0.000 7.418) 9.201 13.918 ( 4.493 0.000 1.712) 4.808 14.317 ( 12.372 0.000 3.218) 12.784 14.542 ( 0.343 0.000 -3.707) 3.722 14.605 ( -8.789 0.000 1.456) 8.909 17.602 ( -5.943 0.000 -5.254) 7.932 17.966 ( -8.780 0.000 -1.414) 8.893 18.430 ( -4.649 0.000 14.271) 15.009 18.519 ( -3.944 0.000 -24.068) 24.389 21.173 ( -1.401 0.000 6.378) 6.530 21.662 ( 12.045 0.000 -8.460) 14.719 22.187 ( 10.871 0.000 -12.800) 16.794 22.802 ( 12.250 0.000 49.435) 50.930 24.949 ( -5.697 0.000 -2.844) 6.367 25.016 ( -6.612 0.000 1.054) 6.695 25.514 ( 0.734 0.000 -6.793) 6.832 26.224 ( 11.974 0.000 3.985) 12.620 29.112 ( -4.470 0.000 0.067) 4.470 29.169 ( -3.347 0.000 -0.375) 3.368 29.565 ( 5.924 0.000 5.966) 8.408 29.571 ( 4.966 0.000 0.240) 4.971 37.934 ( -10.220 0.000 0.870) 10.257 38.010 ( -9.780 0.000 -3.068) 10.250 38.847 ( 6.107 0.000 0.703) 6.147 38.860 ( 7.615 0.000 -0.649) 7.642 69.570 ( -2.888 0.000 3.551) 4.577 69.594 ( -1.120 0.000 -0.620) 1.280 71.637 ( 5.155 0.000 13.761) 14.695 72.820 ( 25.280 0.000 0.187) 25.280 ======================= Grid point 251 (112/168) ======================= q-point: (-0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -13.887 0.000 28.382) 31.597 1.116 ( -18.395 0.000 21.682) 28.434 1.729 ( 9.544 0.000 -13.127) 16.230 1.963 ( -28.984 0.000 26.050) 38.970 2.368 ( -7.171 0.000 -10.375) 12.613 2.953 ( -15.004 0.000 -2.004) 15.137 3.053 ( -8.652 0.000 1.684) 8.814 3.304 ( -0.538 0.000 4.280) 4.314 3.478 ( 1.010 0.000 -4.822) 4.927 3.537 ( -0.370 0.000 -6.227) 6.238 3.648 ( 10.553 0.000 12.914) 16.677 3.825 ( -7.953 0.000 -16.639) 18.442 4.207 ( -2.458 0.000 -10.023) 10.320 4.371 ( 15.197 0.000 -9.403) 17.871 4.787 ( -5.580 0.000 11.188) 12.502 4.935 ( 2.808 0.000 0.586) 2.869 5.152 ( -3.762 0.000 3.468) 5.116 5.538 ( -7.468 0.000 -0.666) 7.498 6.583 ( 0.068 0.000 -6.698) 6.699 6.836 ( 7.031 0.000 5.383) 8.855 7.071 ( 20.320 0.000 3.937) 20.698 7.105 ( -1.952 0.000 -10.015) 10.204 8.109 ( 5.712 0.000 7.240) 9.222 8.138 ( -15.952 0.000 -15.214) 22.044 8.310 ( -2.303 0.000 -4.802) 5.326 8.410 ( -1.057 0.000 2.424) 2.644 8.943 ( -5.024 0.000 -7.927) 9.385 9.096 ( -11.057 0.000 17.340) 20.566 9.417 ( 10.948 0.000 -0.735) 10.972 9.865 ( 5.460 0.000 6.700) 8.643 10.661 ( -7.524 0.000 6.681) 10.062 10.878 ( -21.947 0.000 -2.823) 22.128 11.235 ( -14.198 0.000 1.070) 14.238 11.370 ( -4.424 0.000 -7.258) 8.500 12.213 ( -0.517 0.000 -0.803) 0.956 12.654 ( 5.140 0.000 -20.306) 20.947 12.720 ( 5.953 0.000 -1.475) 6.133 13.296 ( 3.828 0.000 5.063) 6.347 13.992 ( 2.736 0.000 1.875) 3.317 14.415 ( -15.704 0.000 5.594) 16.671 14.554 ( 13.701 0.000 -1.534) 13.787 14.558 ( 3.063 0.000 0.440) 3.094 17.503 ( -2.559 0.000 -0.585) 2.625 17.801 ( -9.414 0.000 -0.968) 9.464 18.178 ( -10.846 0.000 -14.238) 17.899 18.461 ( -6.126 0.000 9.262) 11.105 21.219 ( -1.041 0.000 6.917) 6.995 21.715 ( 7.940 0.000 -13.368) 15.549 22.330 ( 15.599 0.000 -3.237) 15.931 23.471 ( 16.461 0.000 19.987) 25.893 24.864 ( -2.997 0.000 -0.156) 3.001 24.920 ( -5.449 0.000 -0.026) 5.449 25.592 ( 11.348 0.000 13.287) 17.473 26.427 ( 8.426 0.000 2.689) 8.844 29.050 ( -3.137 0.000 0.238) 3.146 29.114 ( -2.616 0.000 -0.889) 2.763 29.656 ( 4.725 0.000 1.254) 4.888 29.780 ( 11.465 0.000 8.190) 14.090 37.795 ( -7.910 0.000 1.267) 8.011 37.818 ( -9.203 0.000 -3.120) 9.718 38.939 ( 4.206 0.000 0.722) 4.268 38.960 ( 5.337 0.000 -0.662) 5.378 69.556 ( -3.293 0.000 2.814) 4.332 69.568 ( -0.934 0.000 -1.123) 1.461 72.193 ( 34.332 0.000 37.977) 51.195 73.211 ( 22.208 0.000 -0.402) 22.211 ======================= Grid point 252 (113/168) ======================= q-point: (-0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -6.102 0.000 27.449) 28.119 1.298 ( -6.859 0.000 33.755) 34.445 1.791 ( 1.073 0.000 5.924) 6.021 1.863 ( -8.909 0.000 20.869) 22.692 2.132 ( -4.118 0.000 -14.889) 15.448 2.743 ( -10.192 0.000 0.812) 10.224 2.893 ( -8.091 0.000 -3.306) 8.740 3.331 ( -0.632 0.000 -26.765) 26.772 3.374 ( -1.755 0.000 13.184) 13.300 3.415 ( -5.314 0.000 -2.481) 5.864 3.547 ( -5.162 0.000 -14.987) 15.851 4.033 ( -3.003 0.000 -14.187) 14.501 4.048 ( 18.532 0.000 13.901) 23.166 4.581 ( 13.473 0.000 0.573) 13.486 4.786 ( -6.312 0.000 6.480) 9.046 4.969 ( 1.381 0.000 -1.300) 1.897 5.163 ( 1.017 0.000 3.052) 3.217 5.407 ( -7.389 0.000 -1.050) 7.463 6.551 ( 3.525 0.000 -5.006) 6.122 6.813 ( -10.435 0.000 -1.701) 10.573 7.112 ( 8.448 0.000 -1.558) 8.591 7.422 ( 13.947 0.000 -0.032) 13.947 7.720 ( -11.025 0.000 -3.932) 11.705 8.096 ( -5.627 0.000 -4.077) 6.949 8.361 ( 5.156 0.000 3.473) 6.217 8.414 ( -2.844 0.000 4.159) 5.039 8.913 ( 4.737 0.000 0.925) 4.826 9.058 ( -11.414 0.000 12.845) 17.183 9.677 ( 18.632 0.000 3.825) 19.020 10.057 ( 10.177 0.000 5.391) 11.516 10.527 ( -18.460 0.000 -0.013) 18.460 10.592 ( -14.580 0.000 4.926) 15.390 11.009 ( -6.342 0.000 -3.922) 7.457 11.234 ( -3.378 0.000 -7.640) 8.353 12.186 ( -0.418 0.000 -2.406) 2.442 12.361 ( -5.827 0.000 -16.058) 17.082 13.036 ( 17.481 0.000 6.360) 18.602 13.366 ( -0.481 0.000 2.820) 2.861 14.063 ( 3.773 0.000 2.518) 4.536 14.228 ( -13.899 0.000 7.850) 15.963 14.622 ( 1.747 0.000 3.212) 3.656 14.745 ( 12.351 0.000 -5.270) 13.428 17.481 ( -1.309 0.000 1.124) 1.725 17.650 ( -7.189 0.000 -1.435) 7.330 18.032 ( 3.063 0.000 2.045) 3.683 18.407 ( -8.714 0.000 4.281) 9.709 21.276 ( -1.369 0.000 8.534) 8.643 21.678 ( 4.550 0.000 -14.038) 14.757 22.601 ( 17.381 0.000 2.436) 17.551 23.508 ( -12.893 0.000 -11.199) 17.078 24.819 ( -2.118 0.000 -0.448) 2.165 24.845 ( -3.228 0.000 -0.562) 3.277 26.135 ( 27.083 0.000 13.885) 30.435 26.541 ( 2.569 0.000 1.546) 2.999 29.016 ( -1.484 0.000 0.539) 1.579 29.068 ( -1.640 0.000 -1.284) 2.083 29.753 ( 4.596 0.000 2.969) 5.472 30.007 ( 7.750 0.000 -1.573) 7.908 37.689 ( -3.572 0.000 -0.229) 3.580 37.703 ( -4.860 0.000 1.362) 5.047 38.998 ( 2.021 0.000 0.800) 2.174 39.020 ( 2.845 0.000 -0.742) 2.940 69.518 ( -3.359 0.000 1.479) 3.670 69.544 ( -0.201 0.000 -1.688) 1.700 73.274 ( 46.498 0.000 17.697) 49.752 73.520 ( 14.209 0.000 1.191) 14.259 ======================= Grid point 253 (114/168) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -5.353 -8.452 24.084) 26.079 1.571 ( 1.853 4.124 16.466) 17.075 1.690 ( 9.887 -8.061 -6.537) 14.334 2.092 ( -0.288 4.933 -18.215) 18.873 2.276 ( -1.993 13.543 33.397) 36.094 2.656 ( -5.889 2.806 0.117) 6.524 2.806 ( -1.929 3.629 -1.494) 4.372 3.124 ( 5.363 6.459 -27.250) 28.513 3.228 ( -3.569 -3.265 8.260) 9.572 3.425 ( 2.563 -1.160 -9.241) 9.660 3.589 ( -4.647 9.921 8.677) 13.976 3.889 ( -0.306 3.612 -14.770) 15.208 4.503 ( 14.567 3.915 10.412) 18.328 4.675 ( -6.391 4.275 -5.285) 9.330 4.839 ( 3.082 2.080 5.883) 6.960 4.934 ( -2.941 0.347 -2.152) 3.661 5.263 ( 4.556 2.521 1.964) 5.565 5.288 ( -5.039 0.825 -1.016) 5.206 6.557 ( 1.683 -3.296 1.087) 3.857 6.637 ( -3.759 1.408 -5.240) 6.601 7.234 ( 4.320 -0.320 2.312) 4.910 7.344 ( -5.781 -1.283 -6.853) 9.056 7.868 ( 9.024 1.663 5.196) 10.545 7.980 ( -7.438 2.826 -4.629) 9.206 8.452 ( -1.664 4.897 2.523) 5.754 8.497 ( 2.569 4.138 -1.103) 4.994 8.971 ( -6.268 -1.336 5.291) 8.311 9.045 ( 10.047 -1.660 -2.129) 10.403 9.904 ( 15.089 -10.713 10.219) 21.139 10.087 ( -15.796 -10.124 -5.006) 19.418 10.443 ( -13.318 10.714 1.631) 17.171 10.475 ( 15.793 11.597 -0.772) 19.609 11.017 ( 2.967 1.386 2.034) 3.855 11.117 ( -3.453 1.414 -6.654) 7.629 12.175 ( 0.100 1.508 0.039) 1.511 12.244 ( -0.578 3.712 -6.190) 7.241 13.174 ( 9.281 -12.147 4.078) 15.821 13.227 ( -6.546 -9.410 -0.942) 11.502 14.070 ( -4.907 -3.293 6.453) 8.750 14.161 ( 4.709 -1.402 -0.882) 4.992 14.717 ( -0.675 4.597 6.625) 8.092 14.934 ( 1.199 8.518 -12.307) 15.015 17.525 ( 3.392 2.467 2.294) 4.781 17.582 ( -2.986 3.391 -2.705) 5.266 18.227 ( 13.921 -1.754 2.299) 14.218 18.265 ( -8.152 -0.384 -1.217) 8.251 21.330 ( -1.979 -0.828 10.187) 10.411 21.586 ( 1.609 -1.035 -12.743) 12.886 22.769 ( -10.604 -21.642 6.219) 24.890 22.785 ( 1.540 -16.750 3.984) 17.286 24.882 ( 0.608 7.375 1.147) 7.488 24.932 ( -1.236 10.283 -3.765) 11.020 26.337 ( 7.098 -14.437 5.878) 17.128 26.429 ( -3.253 -10.144 -2.656) 10.979 29.013 ( 0.264 0.022 0.859) 0.899 29.037 ( -0.318 -0.100 -1.246) 1.290 29.817 ( 0.967 -3.723 5.558) 6.760 29.920 ( -3.032 -3.753 -3.767) 6.121 37.664 ( -1.150 0.082 0.852) 1.433 37.683 ( 2.220 -0.174 -0.709) 2.337 39.021 ( -0.262 0.070 0.670) 0.723 39.035 ( 0.256 -0.301 -0.639) 0.751 69.548 ( -0.901 5.205 1.684) 5.544 69.586 ( 0.692 5.040 -1.673) 5.355 73.478 ( 2.391 5.027 39.414) 39.805 74.400 ( -2.365 38.496 -48.538) 61.996 ======================= Grid point 254 (115/168) ======================= q-point: ( 0.09 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.152 -6.328 12.606) 14.106 1.650 ( 10.433 -6.146 -17.064) 20.924 1.875 ( 3.631 6.622 6.780) 10.149 1.996 ( 10.498 5.280 -10.477) 15.744 2.569 ( 1.368 4.573 -8.223) 9.508 2.607 ( 0.396 1.902 29.843) 29.906 2.787 ( 3.721 2.855 -2.015) 5.105 3.060 ( 12.460 9.995 -11.291) 19.561 3.249 ( -3.262 0.937 6.714) 7.523 3.409 ( 4.973 -2.770 -6.129) 8.365 3.686 ( -0.475 3.442 12.609) 13.079 3.776 ( 2.372 7.081 -6.371) 9.816 4.404 ( -13.091 6.093 -12.086) 18.830 4.679 ( -5.307 1.184 -3.658) 6.553 4.858 ( 3.054 1.038 2.846) 4.302 4.956 ( 3.050 3.935 2.165) 5.429 5.234 ( -0.279 2.480 -0.989) 2.684 5.384 ( 7.814 1.400 1.454) 8.071 6.468 ( -6.253 0.569 0.405) 6.292 6.722 ( 8.734 -2.197 2.286) 9.292 7.167 ( -10.146 0.333 -3.517) 10.743 7.335 ( 2.367 -2.111 4.341) 5.376 7.768 ( -8.783 3.139 -3.532) 9.974 8.049 ( 5.910 1.104 2.826) 6.643 8.416 ( -3.243 2.252 0.004) 3.949 8.549 ( 3.826 4.895 -1.612) 6.419 8.905 ( -4.999 0.010 1.133) 5.126 9.206 ( 13.127 -4.288 -4.753) 14.604 9.707 ( -16.580 -7.413 -8.215) 19.934 10.175 ( -5.350 1.209 9.503) 10.972 10.426 ( 17.216 -1.425 -2.518) 17.457 10.736 ( 16.526 5.709 -2.328) 17.639 11.015 ( -0.942 2.379 -3.782) 4.566 11.120 ( 4.870 3.609 5.325) 8.068 12.195 ( 0.560 1.650 2.622) 3.148 12.222 ( 3.449 3.422 -3.395) 5.927 13.039 ( -12.278 -9.017 -3.740) 15.685 13.305 ( 3.496 -10.003 0.284) 10.600 14.045 ( -4.107 -0.835 3.888) 5.717 14.251 ( 7.603 -5.747 -2.692) 9.904 14.677 ( -9.666 5.555 2.210) 11.366 14.864 ( 0.536 7.373 -3.346) 8.115 17.536 ( 1.078 1.677 -2.934) 3.547 17.642 ( 7.112 3.146 2.237) 8.092 18.093 ( -6.733 -0.331 -3.345) 7.525 18.487 ( 15.946 -2.164 -4.348) 16.669 21.388 ( -4.263 -0.119 11.437) 12.207 21.479 ( 0.042 -1.576 -11.063) 11.175 22.427 ( -24.821 -15.388 7.620) 30.181 23.064 ( 12.125 -17.684 5.742) 22.197 24.883 ( -0.053 7.016 -0.601) 7.041 24.946 ( 3.511 8.796 1.082) 9.532 26.227 ( -13.177 -9.162 -6.419) 17.285 26.434 ( -1.395 -12.147 1.619) 12.333 29.032 ( 1.263 -0.068 -0.879) 1.540 29.041 ( 1.788 0.004 0.923) 2.012 29.785 ( -6.853 -2.196 -0.247) 7.200 29.880 ( -2.326 -3.508 2.926) 5.127 37.687 ( 3.348 0.335 0.367) 3.385 37.736 ( 5.604 -0.377 -1.683) 5.863 39.002 ( -2.724 -0.026 0.557) 2.780 39.014 ( -2.065 -0.132 -0.545) 2.140 69.569 ( 1.293 5.757 1.585) 6.109 69.598 ( 2.677 4.659 -1.329) 5.535 73.689 ( -24.180 21.164 1.672) 32.178 73.735 ( -22.278 20.065 -2.266) 30.067 ======================= Grid point 255 (116/168) ======================= q-point: ( 0.18 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 4.978 -4.112 -6.135) 8.907 1.654 ( 7.326 -0.029 -11.443) 13.587 1.879 ( 9.680 6.810 -24.438) 27.154 2.137 ( -1.901 11.814 19.098) 22.537 2.536 ( 10.187 5.689 -12.106) 16.814 2.869 ( 11.427 -2.584 7.226) 13.765 3.014 ( 9.750 -3.366 15.989) 19.027 3.221 ( 9.625 6.892 0.517) 11.850 3.287 ( 1.360 -0.444 2.148) 2.581 3.429 ( 3.539 -2.894 -1.805) 4.915 3.664 ( -2.700 3.716 0.897) 4.680 3.964 ( 6.826 6.991 14.514) 17.496 4.084 ( -6.648 7.264 -14.261) 17.330 4.419 ( -14.194 2.630 -8.656) 16.832 4.921 ( -1.097 0.719 2.405) 2.740 5.037 ( 7.302 5.548 -3.270) 9.736 5.250 ( 3.755 3.846 -1.845) 5.683 5.529 ( 8.466 1.034 0.178) 8.531 6.417 ( -3.088 -0.129 5.066) 5.934 6.878 ( 5.084 -4.498 1.368) 6.925 6.938 ( -15.267 3.818 1.200) 15.782 7.252 ( -12.730 3.661 -2.527) 13.485 7.787 ( 8.961 -3.460 7.337) 12.088 8.126 ( 0.830 -1.602 0.845) 1.992 8.361 ( -2.488 3.160 -0.156) 4.025 8.564 ( 1.125 5.416 -4.110) 6.891 8.848 ( -3.385 0.178 2.463) 4.190 9.341 ( -2.303 -4.504 0.054) 5.059 9.424 ( 5.597 -7.081 -16.700) 18.983 10.110 ( -4.773 5.927 -1.354) 7.730 10.743 ( 20.193 -5.491 -3.411) 21.203 10.842 ( 3.657 1.080 -2.908) 4.795 11.107 ( 7.032 -1.303 6.877) 9.921 11.312 ( 12.970 6.803 4.402) 15.293 12.237 ( 2.788 0.260 0.526) 2.849 12.283 ( 2.677 2.722 4.273) 5.730 12.782 ( -12.443 -6.134 -4.869) 14.703 13.311 ( -1.223 -6.721 -1.915) 7.095 14.015 ( -3.759 1.269 2.795) 4.853 14.325 ( 2.951 -8.626 -2.927) 9.575 14.526 ( -6.955 2.050 -1.045) 7.326 14.837 ( -2.736 11.395 0.700) 11.739 17.535 ( 1.839 0.678 -3.045) 3.621 17.790 ( 8.095 2.327 1.925) 8.640 18.037 ( 2.631 -0.658 0.861) 2.846 18.650 ( 12.318 -2.044 -9.178) 15.497 21.372 ( -0.811 -2.077 -8.203) 8.501 21.415 ( -7.110 0.123 11.754) 13.737 22.131 ( -20.670 -9.802 8.223) 24.310 23.251 ( 4.970 -20.820 1.439) 21.453 24.894 ( 1.818 4.558 -0.171) 4.910 25.033 ( 4.482 8.678 2.626) 10.114 25.880 ( -15.878 -4.622 -12.256) 20.584 26.369 ( -7.182 -9.291 0.418) 11.750 29.059 ( 2.957 -0.042 -0.618) 3.021 29.089 ( 2.882 -0.108 1.005) 3.054 29.673 ( -5.901 -0.789 -0.752) 6.001 29.816 ( -7.656 -2.952 0.700) 8.236 37.785 ( 7.952 0.387 0.587) 7.983 37.832 ( 8.197 0.045 -1.675) 8.367 38.943 ( -5.090 -0.131 0.339) 5.103 38.958 ( -4.327 0.169 -0.344) 4.344 69.613 ( 2.367 6.308 0.969) 6.807 69.644 ( 4.139 4.521 -1.152) 6.237 72.902 ( -30.350 12.879 -30.320) 44.792 73.539 ( -35.589 30.993 24.643) 53.240 ======================= Grid point 256 (117/168) ======================= q-point: ( 0.27 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 7.635 0.159 -1.284) 7.744 1.650 ( 13.234 3.020 -19.057) 23.397 1.838 ( 11.829 9.535 -12.384) 19.601 2.296 ( -3.796 6.361 20.775) 22.057 2.615 ( 9.934 7.930 -9.446) 15.836 3.063 ( -6.155 -1.118 1.165) 6.364 3.209 ( 12.044 2.621 5.384) 13.451 3.319 ( 1.401 -5.865 2.640) 6.583 3.416 ( 2.524 -2.099 -4.586) 5.639 3.479 ( 12.023 -1.670 4.546) 12.962 3.679 ( 0.782 6.398 2.313) 6.848 3.954 ( -2.088 0.854 -7.437) 7.771 4.152 ( -3.308 6.043 2.277) 7.256 4.209 ( 6.352 9.212 6.367) 12.874 4.900 ( -2.991 1.157 1.137) 3.403 5.104 ( 7.845 7.927 -8.080) 13.772 5.316 ( 6.761 3.188 -2.470) 7.872 5.654 ( 7.183 0.833 -1.451) 7.375 6.465 ( -0.376 -0.559 9.269) 9.294 6.654 ( -18.238 4.122 1.698) 18.775 6.810 ( -13.221 -0.707 -6.122) 14.586 7.146 ( 0.967 4.143 5.280) 6.781 8.002 ( 1.390 -7.490 1.887) 7.848 8.106 ( 2.563 -4.311 1.744) 5.310 8.367 ( -0.873 4.720 5.917) 7.619 8.507 ( -2.021 4.111 -5.070) 6.833 8.870 ( -0.170 -0.589 8.648) 8.670 9.164 ( -8.198 -2.988 -2.670) 9.125 9.516 ( 14.904 -6.322 -14.748) 21.900 9.995 ( -1.628 2.565 -11.685) 12.074 10.851 ( 5.732 3.012 0.182) 6.478 11.093 ( 17.785 -5.838 1.234) 18.759 11.283 ( 4.160 -2.186 11.381) 12.313 11.568 ( 15.019 2.150 -2.207) 15.331 12.292 ( 5.840 -1.437 -4.371) 7.435 12.356 ( -4.601 -0.357 10.716) 11.668 12.599 ( -4.765 -0.479 0.143) 4.792 13.244 ( -3.254 -3.646 -3.440) 5.976 13.965 ( -6.006 2.621 2.510) 7.017 14.237 ( -10.585 -2.795 1.015) 10.995 14.483 ( 1.953 -2.212 -2.380) 3.791 14.804 ( 0.148 7.139 -2.015) 7.420 17.548 ( 2.402 1.346 0.298) 2.769 17.940 ( 7.590 1.191 1.906) 7.915 18.171 ( 6.820 -2.180 7.067) 10.060 18.717 ( 9.513 -1.830 -12.739) 16.004 21.290 ( 0.247 -2.564 -6.935) 7.398 21.390 ( -11.176 -0.235 13.108) 17.227 21.921 ( -14.984 -5.730 8.698) 18.248 23.214 ( -2.848 -19.659 -13.049) 23.767 24.936 ( 2.930 2.710 0.982) 4.110 25.134 ( 4.896 8.034 1.846) 9.588 25.558 ( -8.365 -0.012 -8.595) 11.994 26.220 ( -10.147 -6.847 -1.310) 12.311 29.116 ( 4.468 -0.025 -0.320) 4.480 29.151 ( 3.504 -0.209 0.803) 3.601 29.575 ( -5.078 -0.761 -1.204) 5.274 29.669 ( -8.604 -0.572 -1.768) 8.802 37.945 ( 10.368 -0.276 0.119) 10.372 37.975 ( 10.462 0.877 0.015) 10.498 38.844 ( -7.354 -0.099 0.318) 7.362 38.867 ( -6.256 0.372 -0.335) 6.276 69.659 ( 2.451 6.689 0.078) 7.124 69.697 ( 4.031 4.743 -2.393) 6.669 72.206 ( -19.711 14.479 -22.490) 33.226 73.123 ( -35.498 30.452 12.542) 48.422 ======================= Grid point 257 (118/168) ======================= q-point: ( 0.36 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 9.769 5.253 6.869) 13.046 1.819 ( 24.086 -0.269 -11.340) 26.623 2.042 ( 19.094 6.589 1.322) 20.242 2.390 ( -5.943 6.238 11.894) 14.687 2.627 ( -2.140 14.670 0.234) 14.828 2.914 ( -6.745 -4.649 -2.256) 8.497 3.146 ( -11.303 -0.719 -7.176) 13.408 3.406 ( -1.393 -1.521 -1.251) 2.412 3.520 ( -0.865 4.391 -2.814) 5.287 3.592 ( 8.534 -1.376 -0.739) 8.675 3.714 ( 10.696 0.072 -1.367) 10.783 3.971 ( 4.110 2.336 8.929) 10.103 4.152 ( -2.575 -0.072 -3.588) 4.417 4.417 ( 9.473 11.787 6.157) 16.327 4.866 ( -1.195 1.041 1.022) 1.886 5.158 ( 9.096 9.150 -7.638) 14.994 5.415 ( 7.840 1.369 -2.200) 8.257 5.719 ( 2.540 1.106 -2.640) 3.827 6.363 ( -16.004 3.047 1.957) 16.409 6.504 ( -13.866 2.804 -2.798) 14.420 6.623 ( 2.987 0.972 9.809) 10.300 7.232 ( 0.883 1.286 4.702) 4.955 7.904 ( -1.887 -4.902 -6.865) 8.644 8.214 ( 0.000 -4.567 3.841) 5.967 8.406 ( -1.653 2.490 5.297) 6.082 8.425 ( -2.771 2.966 -1.655) 4.384 8.989 ( -1.078 -2.257 12.966) 13.205 9.061 ( -2.930 0.012 2.545) 3.881 9.582 ( 11.300 -5.800 -15.207) 19.814 9.828 ( 0.049 0.912 -18.653) 18.675 11.008 ( 7.603 -1.119 7.955) 11.061 11.326 ( 6.118 -0.943 5.522) 8.295 11.491 ( 9.017 -6.077 7.254) 13.071 11.728 ( 10.171 -3.189 -7.377) 12.963 12.315 ( -1.005 -1.359 0.443) 1.748 12.373 ( 2.938 -0.372 0.451) 2.996 12.625 ( -0.520 2.092 8.921) 9.178 13.149 ( -2.562 -1.490 -5.456) 6.208 13.869 ( -8.361 1.973 3.040) 9.113 14.059 ( -11.895 1.194 1.548) 12.055 14.504 ( 1.647 -0.511 0.946) 1.967 14.796 ( 2.890 -0.674 -5.703) 6.429 17.639 ( 4.804 1.893 6.087) 7.982 18.057 ( 4.015 0.768 1.466) 4.343 18.339 ( 2.207 -3.371 9.724) 10.526 18.725 ( 9.266 -1.867 -15.724) 18.346 21.248 ( 2.167 -2.597 -5.192) 6.196 21.309 ( -13.361 -1.055 11.586) 17.716 21.821 ( -9.847 -2.706 11.968) 15.733 22.939 ( -4.169 -12.928 -27.124) 30.335 25.016 ( 4.012 1.488 3.622) 5.606 25.220 ( 5.077 6.182 -1.436) 8.128 25.455 ( -0.964 0.214 1.445) 1.751 26.023 ( -10.743 -4.644 -3.288) 12.157 29.197 ( 5.635 0.060 -0.213) 5.639 29.217 ( 3.544 -0.262 0.632) 3.610 29.479 ( -4.920 -1.035 -1.834) 5.352 29.526 ( -6.774 0.970 -1.231) 6.953 38.116 ( 10.874 -0.102 -0.581) 10.890 38.163 ( 10.873 0.830 1.250) 10.976 38.711 ( -9.129 0.027 0.440) 9.140 38.750 ( -7.408 0.402 -0.453) 7.433 69.691 ( 1.733 6.767 -0.759) 7.026 69.721 ( 2.838 5.490 -3.960) 7.340 71.866 ( -2.871 16.340 -8.826) 18.791 72.673 ( -28.866 24.738 4.068) 38.233 ======================= Grid point 258 (119/168) ======================= q-point: ( 0.45 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 15.871 3.141 15.029) 22.082 2.084 ( 16.121 4.483 -6.378) 17.908 2.280 ( -14.425 8.439 2.358) 16.878 2.419 ( 18.120 3.680 1.912) 18.589 2.659 ( -1.436 5.951 10.829) 12.440 2.768 ( -12.750 -0.506 -8.890) 15.551 2.900 ( 0.715 6.509 1.000) 6.624 3.311 ( -8.320 -2.290 2.450) 8.971 3.410 ( 0.556 -0.278 -5.539) 5.574 3.793 ( -0.628 2.595 -12.802) 13.077 3.836 ( 3.741 1.383 -1.725) 4.345 3.851 ( -3.990 3.240 -2.848) 5.876 4.220 ( 5.034 1.315 9.871) 11.159 4.537 ( 1.629 7.344 -2.608) 7.962 4.950 ( 6.690 1.600 7.013) 9.823 5.222 ( 3.946 5.573 -5.516) 8.778 5.520 ( 7.749 0.348 -1.975) 8.005 5.661 ( -6.037 1.896 -3.500) 7.231 6.184 ( -8.605 4.508 4.592) 10.745 6.303 ( -5.078 2.886 -3.804) 6.970 6.813 ( 5.555 0.458 12.388) 13.585 7.214 ( -4.123 -0.809 -3.424) 5.420 7.896 ( 4.978 -2.690 0.699) 5.702 8.148 ( -6.795 -1.910 -3.512) 7.884 8.394 ( -1.216 1.759 2.262) 3.113 8.433 ( 0.103 1.147 2.050) 2.351 9.039 ( -2.126 -0.596 9.539) 9.791 9.133 ( -2.137 0.296 11.553) 11.752 9.569 ( 1.771 -4.144 -12.423) 13.215 9.665 ( 7.536 -0.173 -22.247) 23.489 11.217 ( 5.177 -6.657 11.155) 13.984 11.418 ( -0.747 -0.869 4.331) 4.480 11.632 ( -3.729 -4.361 7.255) 9.250 11.794 ( 12.397 -7.033 -12.246) 18.791 12.295 ( -6.975 0.856 7.723) 10.442 12.447 ( 9.829 1.274 -8.677) 13.173 12.710 ( -1.771 0.950 11.876) 12.045 13.062 ( 0.899 -0.903 -8.863) 8.954 13.793 ( -4.949 0.120 5.320) 7.267 13.906 ( -6.678 4.202 0.126) 7.891 14.554 ( 1.035 -1.245 3.989) 4.305 14.769 ( 1.697 -3.738 -7.815) 8.827 17.811 ( 6.219 1.735 9.441) 11.438 18.079 ( -2.056 0.661 -0.995) 2.378 18.414 ( -4.985 -3.070 9.849) 11.458 18.725 ( 11.054 -2.474 -17.215) 20.607 21.200 ( -12.062 -1.423 9.940) 15.695 21.265 ( 5.788 -2.241 -4.654) 7.758 21.831 ( -7.418 -1.574 18.240) 19.754 22.607 ( -0.248 -6.911 -30.277) 31.057 25.119 ( 2.212 0.760 5.237) 5.736 25.262 ( 2.637 3.096 -3.410) 5.307 25.522 ( 4.387 -0.144 5.526) 7.057 25.821 ( -8.141 -2.610 -5.382) 10.102 29.275 ( 2.234 -0.186 0.949) 2.435 29.291 ( 6.111 0.216 -0.568) 6.141 29.384 ( -4.605 -0.529 -0.785) 4.702 29.422 ( -4.438 0.620 -1.217) 4.644 38.279 ( 8.515 0.284 0.015) 8.519 38.325 ( 6.130 0.661 0.296) 6.172 38.574 ( -6.735 0.241 1.103) 6.829 38.627 ( -5.942 0.161 -0.933) 6.017 69.697 ( 0.023 6.357 -0.956) 6.428 69.720 ( 1.765 6.482 -3.479) 7.565 71.906 ( 11.279 17.164 0.911) 20.558 72.275 ( -20.895 20.082 -1.631) 29.027 ======================= Grid point 259 (120/168) ======================= q-point: (-0.45 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -21.758 5.958 3.152) 22.778 2.119 ( -12.990 15.315 2.906) 20.291 2.400 ( 2.274 1.301 -4.079) 4.848 2.417 ( 6.987 3.261 0.895) 7.763 2.626 ( 6.709 -3.397 -2.599) 7.957 2.686 ( 7.418 0.471 -1.637) 7.611 3.214 ( -4.780 0.869 4.894) 6.896 3.262 ( -7.497 4.918 -8.297) 12.216 3.324 ( 7.954 6.627 16.634) 19.593 3.449 ( 0.394 3.483 -7.872) 8.617 3.834 ( -4.038 0.673 -0.918) 4.195 3.879 ( -0.246 0.737 -3.220) 3.313 4.371 ( 0.010 3.129 5.816) 6.604 4.504 ( 4.912 5.022 -7.009) 9.923 5.104 ( -2.115 2.677 1.031) 3.564 5.125 ( -3.808 2.367 -3.331) 5.586 5.475 ( -11.632 1.543 -0.165) 11.735 5.639 ( 6.022 0.119 -0.182) 6.026 6.194 ( 3.787 5.770 5.485) 8.815 6.272 ( 4.882 1.799 -2.673) 5.850 7.035 ( 5.740 -0.776 9.328) 10.981 7.067 ( -3.610 -1.000 -7.594) 8.468 7.958 ( -9.386 -1.787 -2.779) 9.951 8.041 ( 6.110 -1.015 3.931) 7.336 8.423 ( 2.116 1.774 1.775) 3.283 8.455 ( 2.463 0.735 -1.360) 2.908 9.127 ( -2.730 -0.345 13.897) 14.166 9.167 ( -3.655 1.633 5.181) 6.547 9.426 ( -2.628 -0.924 -9.604) 10.000 9.631 ( 10.617 -3.403 -18.148) 21.299 11.348 ( -4.481 -6.716 4.480) 9.233 11.407 ( 0.114 -5.036 2.813) 5.770 11.532 ( -14.203 -2.944 6.504) 15.896 11.871 ( 8.787 -5.371 -11.549) 15.474 12.225 ( -11.542 1.852 9.505) 15.067 12.486 ( 5.450 2.370 -8.868) 10.675 12.809 ( -0.675 -1.534 12.057) 12.172 13.012 ( 5.966 -1.098 -12.393) 13.798 13.805 ( -0.287 2.557 4.592) 5.263 13.899 ( 5.949 2.267 1.105) 6.461 14.599 ( -1.881 -3.831 4.820) 6.438 14.705 ( 0.778 -2.580 -7.466) 7.937 17.975 ( -6.480 0.966 -4.866) 8.161 18.001 ( 5.624 1.083 7.406) 9.362 18.385 ( -10.384 -1.817 11.326) 15.473 18.733 ( 10.378 -3.823 -18.071) 21.187 21.125 ( -8.043 -1.969 8.579) 11.924 21.351 ( 9.797 -1.835 -4.053) 10.760 21.940 ( -6.181 -2.472 26.796) 27.611 22.349 ( 3.554 -3.934 -26.954) 27.470 25.169 ( -2.244 1.766 4.724) 5.520 25.226 ( -2.668 1.533 -3.866) 4.941 25.669 ( -2.168 -1.253 -7.501) 7.908 25.698 ( 9.658 -1.506 5.529) 11.230 29.274 ( -4.253 0.277 0.932) 4.363 29.294 ( -3.938 -0.491 -0.648) 4.021 29.386 ( 2.308 -0.210 -0.963) 2.510 29.403 ( 5.845 0.775 0.271) 5.903 38.282 ( -9.269 0.239 -0.231) 9.275 38.326 ( -4.592 0.591 0.228) 4.635 38.593 ( 5.703 -0.116 0.294) 5.712 38.611 ( 6.661 0.508 -0.295) 6.687 69.677 ( -1.709 5.951 0.053) 6.191 69.710 ( 0.390 6.945 -2.153) 7.282 71.965 ( -12.861 17.741 -4.241) 22.319 72.215 ( 22.515 20.074 3.604) 30.379 ======================= Grid point 260 (121/168) ======================= q-point: (-0.36 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -25.322 4.726 4.264) 26.109 1.782 ( -21.633 11.587 -3.797) 24.832 2.170 ( -11.239 8.491 -8.797) 16.607 2.504 ( -1.899 0.145 -4.701) 5.072 2.794 ( -11.161 8.932 -9.748) 17.302 2.871 ( 10.482 -2.364 1.939) 10.919 2.925 ( 12.580 1.212 9.275) 15.677 3.266 ( -0.579 2.846 12.239) 12.579 3.428 ( 0.093 0.517 -1.734) 1.812 3.621 ( -8.138 -0.490 0.803) 8.192 3.747 ( -7.076 4.259 -2.910) 8.757 3.914 ( 13.189 5.363 13.271) 19.464 4.301 ( -0.927 -2.401 -13.178) 13.427 4.563 ( 3.792 8.426 -5.368) 10.686 4.894 ( -8.477 0.044 -3.987) 9.368 5.069 ( -8.276 7.318 -0.282) 11.051 5.333 ( -9.035 1.357 5.299) 10.561 5.684 ( -1.549 -1.429 1.506) 2.590 6.383 ( 10.751 2.531 2.643) 11.356 6.406 ( 13.739 2.985 1.669) 14.159 6.889 ( -3.230 -0.245 -11.080) 11.544 7.240 ( 6.002 -1.099 4.380) 7.511 7.796 ( -6.660 -1.700 1.952) 7.145 8.178 ( 3.781 -2.243 4.769) 6.486 8.480 ( 3.346 2.640 -2.364) 4.874 8.483 ( 3.670 1.013 -2.264) 4.429 9.095 ( -5.768 -0.346 1.196) 5.901 9.220 ( -1.951 1.424 7.087) 7.487 9.322 ( -3.511 -2.330 -2.317) 4.809 9.650 ( 9.656 -2.965 -10.027) 14.233 11.158 ( -13.805 0.578 -5.681) 14.939 11.342 ( -15.757 -9.370 7.158) 19.680 11.474 ( -0.456 -2.887 3.653) 4.679 11.782 ( -7.949 -2.115 -8.184) 11.603 12.165 ( -4.715 0.252 7.226) 8.632 12.475 ( 2.918 2.215 -5.516) 6.622 12.896 ( 3.273 -5.418 -2.172) 6.692 13.024 ( 6.645 -0.409 -4.218) 7.881 13.883 ( 5.329 5.705 1.886) 8.032 14.066 ( 10.298 -1.591 2.615) 10.743 14.550 ( -4.898 -4.852 -1.382) 7.031 14.695 ( 1.938 0.798 0.264) 2.113 17.795 ( -7.542 1.466 -6.814) 10.269 18.083 ( -1.581 0.448 -0.582) 1.743 18.360 ( -7.837 -0.490 16.716) 18.469 18.672 ( 4.706 -5.274 -20.618) 21.796 21.108 ( -3.981 -2.840 7.564) 9.007 21.496 ( 12.590 -1.885 -4.468) 13.491 22.161 ( -0.075 -5.917 14.941) 16.070 22.205 ( 2.999 -4.042 1.090) 5.150 25.104 ( -6.092 1.707 -3.024) 7.012 25.164 ( -3.408 5.081 2.718) 6.695 25.581 ( 0.952 -0.760 -9.216) 9.296 25.932 ( 11.914 -3.670 4.798) 13.358 29.193 ( -5.364 0.152 0.108) 5.367 29.226 ( -3.865 -0.434 -0.099) 3.890 29.440 ( 3.600 -0.645 1.171) 3.840 29.507 ( 6.341 1.622 0.267) 6.551 38.106 ( -11.303 0.105 0.266) 11.307 38.191 ( -9.737 0.169 -1.034) 9.793 38.720 ( 8.461 -0.288 -0.131) 8.467 38.741 ( 8.016 0.737 0.157) 8.052 69.647 ( -2.830 5.703 1.743) 6.601 69.691 ( -0.810 6.898 -0.940) 7.008 71.781 ( -5.196 17.436 -1.760) 18.279 72.695 ( 32.302 27.414 1.928) 42.411 ======================= Grid point 261 (122/168) ======================= q-point: (-0.27 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -25.135 3.507 8.678) 26.821 1.433 ( -18.963 10.762 3.484) 22.081 1.899 ( -5.371 7.391 -13.657) 16.432 2.332 ( -21.182 10.657 11.075) 26.171 2.611 ( -2.093 7.698 -6.491) 10.285 3.028 ( 3.418 -3.496 4.860) 6.894 3.182 ( 5.020 -5.116 6.150) 9.444 3.294 ( -13.090 3.438 1.912) 13.668 3.422 ( -5.332 -0.194 -6.376) 8.314 3.500 ( 5.901 4.804 12.387) 14.537 3.630 ( -1.156 5.302 -1.984) 5.778 4.083 ( -4.652 -5.328 -15.321) 16.874 4.235 ( 10.714 2.962 0.424) 11.124 4.442 ( -2.377 9.105 -16.141) 18.684 4.838 ( -2.683 0.753 6.687) 7.245 4.952 ( -5.118 8.609 2.336) 10.284 5.248 ( -7.158 2.939 4.166) 8.788 5.631 ( -5.967 -1.997 1.094) 6.387 6.564 ( 6.162 -2.813 1.437) 6.925 6.687 ( 13.939 5.029 2.216) 14.983 6.785 ( 7.358 0.749 -7.917) 10.834 7.270 ( -0.300 2.100 -5.211) 5.626 7.843 ( 3.495 -4.971 10.540) 12.166 8.220 ( -2.809 -5.568 -1.462) 6.406 8.471 ( 1.125 4.256 -3.367) 5.543 8.515 ( 2.969 4.602 -4.557) 7.125 9.043 ( -5.117 -2.603 6.552) 8.711 9.142 ( -3.830 -1.581 -12.222) 12.905 9.282 ( -2.927 -3.395 5.289) 6.933 9.766 ( 8.838 1.486 2.640) 9.343 10.861 ( -17.092 3.552 -0.128) 17.457 11.130 ( -13.844 -8.506 -1.378) 16.306 11.462 ( -4.838 0.590 2.498) 5.477 11.517 ( -14.652 0.246 -4.306) 15.274 12.186 ( -0.081 -1.900 3.108) 3.644 12.500 ( 4.787 -0.107 -1.103) 4.914 12.848 ( 4.181 -4.815 -19.024) 20.064 13.132 ( 4.130 -3.209 5.563) 7.635 13.984 ( 4.612 5.820 0.745) 7.463 14.227 ( 3.396 -7.065 3.275) 8.496 14.471 ( -0.884 -3.113 -2.034) 3.823 14.761 ( 5.718 9.010 1.185) 10.737 17.618 ( -6.025 1.679 -5.339) 8.224 17.975 ( -8.374 0.958 -1.263) 8.522 18.427 ( -4.290 -0.309 13.568) 14.233 18.462 ( -4.801 -5.177 -21.179) 22.325 21.136 ( -1.565 -3.212 6.911) 7.780 21.646 ( 12.022 -1.741 -7.691) 14.378 22.137 ( 9.393 -4.784 -13.129) 16.837 22.579 ( 1.972 -18.405 43.364) 47.149 24.981 ( -4.764 3.171 -2.594) 6.284 25.144 ( -1.291 10.108 1.762) 10.342 25.510 ( 0.672 -0.350 -6.212) 6.258 26.164 ( 10.988 -5.795 3.503) 12.907 29.112 ( -4.504 0.043 0.040) 4.505 29.165 ( -3.362 -0.418 -0.305) 3.401 29.523 ( 3.871 -1.633 3.226) 5.297 29.623 ( 7.188 2.511 1.579) 7.776 37.932 ( -10.262 -0.066 0.676) 10.284 38.009 ( -10.222 -0.065 -2.268) 10.470 38.846 ( 6.682 -0.085 0.219) 6.686 38.864 ( 6.913 0.384 -0.176) 6.926 69.624 ( -3.127 5.302 3.371) 7.018 69.665 ( -1.310 6.612 -0.591) 6.766 71.802 ( 4.066 17.052 11.067) 20.731 73.303 ( 43.111 41.453 -3.634) 59.918 ======================= Grid point 262 (123/168) ======================= q-point: (-0.18 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -18.029 -0.439 18.646) 25.940 1.287 ( -12.317 11.953 19.867) 26.254 1.757 ( 1.708 2.965 -10.723) 11.255 2.108 ( -24.911 12.772 23.126) 36.311 2.492 ( -3.621 10.754 -10.047) 15.156 2.945 ( -13.975 -0.661 -1.521) 14.073 3.104 ( -9.439 4.056 3.659) 10.906 3.223 ( -3.606 -6.419 3.220) 8.036 3.413 ( 4.484 -4.622 -5.736) 8.624 3.557 ( 0.635 0.743 -8.674) 8.729 3.743 ( 9.356 6.065 5.947) 12.637 3.873 ( -5.760 5.698 -6.252) 10.234 4.239 ( -3.822 3.956 -9.912) 11.337 4.379 ( 13.390 1.176 -8.440) 15.872 4.868 ( -5.057 7.227 10.822) 13.961 4.943 ( 0.970 1.973 0.360) 2.228 5.194 ( -3.558 3.857 3.106) 6.098 5.524 ( -7.544 -1.448 0.372) 7.690 6.551 ( -0.299 -3.208 -5.754) 6.595 6.841 ( 2.946 -0.367 3.229) 4.387 7.002 ( 13.637 -0.115 -2.063) 13.793 7.252 ( 8.709 8.417 -3.534) 12.617 7.982 ( -6.530 -8.372 -4.763) 11.637 8.057 ( -2.343 -5.692 2.727) 6.732 8.474 ( 0.967 8.998 -8.338) 12.306 8.487 ( 0.441 7.568 0.931) 7.637 8.926 ( -4.768 -1.711 -6.075) 7.910 9.062 ( -8.902 -3.306 14.072) 16.976 9.334 ( 6.693 -5.577 1.056) 8.776 9.975 ( 10.284 7.013 7.083) 14.322 10.621 ( -16.347 -2.499 5.658) 17.479 10.883 ( -12.026 1.186 -3.212) 12.504 11.242 ( -14.491 0.199 -2.640) 14.731 11.376 ( -5.185 1.238 -3.014) 6.123 12.202 ( -0.276 -0.892 0.266) 0.971 12.590 ( 4.104 -4.684 -10.540) 12.243 12.700 ( 3.267 -1.880 -6.301) 7.342 13.240 ( 2.435 -5.931 4.580) 7.879 14.039 ( 1.603 3.993 0.381) 4.319 14.210 ( -8.990 -9.607 6.960) 14.885 14.517 ( 7.173 -1.246 -1.761) 7.491 14.897 ( 10.749 17.604 -3.207) 20.874 17.511 ( -2.991 1.142 -1.078) 3.379 17.820 ( -8.772 1.856 -0.798) 9.002 18.151 ( -9.808 -2.293 -12.024) 15.686 18.457 ( -5.846 -0.420 8.684) 10.477 21.189 ( -0.710 -2.662 7.397) 7.893 21.708 ( 7.896 -0.818 -12.730) 15.002 22.246 ( 13.977 -8.036 -3.977) 16.605 22.997 ( -0.357 -35.317 29.853) 46.245 24.905 ( -2.440 4.596 -1.080) 5.315 25.130 ( -0.271 13.147 -5.855) 14.394 25.585 ( 9.734 -0.699 11.673) 15.215 26.348 ( 7.756 -7.642 2.086) 11.086 29.050 ( -3.132 0.008 0.223) 3.140 29.110 ( -2.618 -0.352 -0.775) 2.753 29.624 ( 3.959 -2.378 3.729) 5.936 29.786 ( 9.451 0.145 3.331) 10.022 37.789 ( -7.918 -0.241 0.670) 7.950 37.825 ( -9.025 0.484 -1.778) 9.211 38.940 ( 4.412 0.091 0.448) 4.436 38.960 ( 4.993 -0.030 -0.402) 5.009 69.603 ( -3.424 4.690 2.603) 6.363 69.636 ( -1.341 6.142 -1.045) 6.373 72.193 ( 17.632 9.398 31.913) 37.652 74.019 ( 55.488 58.388 -18.110) 82.560 ======================= Grid point 263 (124/168) ======================= q-point: (-0.09 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -8.168 -6.056 25.429) 27.386 1.378 ( -7.985 7.370 28.579) 30.575 1.692 ( 2.079 -5.347 -9.051) 10.716 2.054 ( -11.719 16.037 28.634) 34.848 2.301 ( -4.329 11.434 -13.481) 18.199 2.755 ( -8.376 1.072 1.114) 8.518 2.933 ( -9.011 3.417 -3.809) 10.363 3.202 ( -3.899 -7.518 2.353) 8.790 3.362 ( 0.501 -2.105 -15.466) 15.616 3.440 ( 0.751 1.305 -6.924) 7.086 3.684 ( -5.071 9.827 -7.424) 13.319 4.058 ( -0.501 4.709 -11.429) 12.372 4.111 ( 14.002 4.960 12.194) 19.219 4.582 ( 13.132 0.216 1.499) 13.219 4.855 ( -6.415 6.862 4.713) 10.510 4.963 ( 0.439 -0.364 0.088) 0.576 5.198 ( 0.482 3.661 2.793) 4.630 5.401 ( -7.411 -0.447 -0.242) 7.429 6.517 ( 2.564 -3.308 -3.859) 5.693 6.794 ( -7.492 -1.567 -1.713) 7.843 7.140 ( 7.970 2.639 -2.480) 8.754 7.448 ( 8.428 1.791 -4.123) 9.552 7.715 ( -4.804 0.231 -0.914) 4.895 8.103 ( -2.675 -2.731 -0.240) 3.830 8.424 ( 2.520 9.014 -3.236) 9.903 8.500 ( -1.737 6.250 2.474) 6.943 8.906 ( 3.839 -0.594 1.752) 4.262 9.036 ( -9.196 -2.213 10.813) 14.366 9.548 ( 15.537 -9.082 5.114) 18.709 10.223 ( 12.742 9.478 3.436) 16.248 10.391 ( -17.342 -6.916 2.669) 18.860 10.682 ( -14.502 6.207 1.948) 15.895 11.024 ( -5.489 1.466 -3.341) 6.592 11.248 ( -4.657 1.566 -5.935) 7.705 12.187 ( -0.639 0.475 -1.066) 1.330 12.381 ( -4.463 2.040 -13.561) 14.421 12.920 ( 13.014 -9.773 7.512) 17.925 13.286 ( -1.311 -8.027 2.084) 8.396 14.062 ( -0.510 -1.016 3.273) 3.465 14.146 ( -5.420 -3.581 5.317) 8.395 14.626 ( 5.391 0.403 2.174) 5.827 14.989 ( 7.323 16.290 -10.382) 20.658 17.486 ( -0.673 1.019 1.399) 1.857 17.685 ( -6.498 3.403 -1.404) 7.468 18.026 ( 2.860 -0.609 2.059) 3.577 18.402 ( -8.394 -0.514 3.710) 9.192 21.258 ( -0.848 -1.733 8.738) 8.948 21.671 ( 4.231 -0.641 -13.749) 14.400 22.486 ( 16.284 -11.075 1.016) 19.719 23.055 ( -15.748 -35.478 9.721) 40.015 24.875 ( -0.632 6.065 -0.044) 6.098 25.025 ( -3.101 12.111 -6.710) 14.189 26.008 ( 19.242 -10.279 14.295) 26.082 26.448 ( 2.600 -9.088 0.359) 9.460 29.016 ( -1.461 0.023 0.531) 1.555 29.065 ( -1.627 -0.229 -1.165) 2.014 29.725 ( 3.560 -2.579 4.264) 6.125 29.939 ( 5.383 -4.970 -1.038) 7.399 37.692 ( -3.520 0.323 -0.017) 3.535 37.706 ( -5.047 0.295 0.869) 5.130 38.999 ( 2.126 0.103 0.594) 2.210 39.018 ( 2.650 -0.248 -0.551) 2.718 69.566 ( -3.084 4.763 1.512) 5.872 69.604 ( -0.788 5.580 -1.540) 5.842 72.894 ( 19.018 -1.429 39.827) 44.158 74.571 ( 41.918 56.796 -44.742) 83.575 ======================= Grid point 264 (125/168) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.954 5.269 16.356) 17.210 1.542 ( 5.959 -1.088 -15.636) 16.768 1.713 ( 3.985 5.525 20.781) 21.869 2.143 ( -5.814 0.682 -17.393) 18.352 2.539 ( -0.813 11.556 21.135) 24.102 2.719 ( -6.986 3.058 0.969) 7.687 2.890 ( -1.568 4.065 1.212) 4.522 3.128 ( -0.369 -6.148 -2.820) 6.774 3.242 ( 5.549 2.255 -3.541) 6.958 3.418 ( 2.167 3.080 -9.473) 10.194 3.807 ( -2.004 10.975 1.708) 11.287 3.987 ( -2.226 5.686 -11.199) 12.755 4.604 ( 11.742 5.349 8.484) 15.442 4.729 ( -1.426 0.264 -0.393) 1.502 4.931 ( -5.051 6.780 1.494) 8.586 4.971 ( 1.868 3.941 -1.086) 4.494 5.329 ( -2.765 4.153 2.029) 5.386 5.361 ( 1.627 8.422 0.708) 8.607 6.479 ( 2.392 -4.616 5.553) 7.607 6.658 ( -2.735 0.597 -8.111) 8.580 7.233 ( 1.596 0.291 -0.269) 1.644 7.315 ( -4.312 -1.575 -6.783) 8.191 7.886 ( 4.891 -0.542 6.645) 8.268 8.000 ( -2.916 -0.439 -2.581) 3.919 8.568 ( -5.608 5.497 0.848) 7.898 8.606 ( 4.201 6.520 -2.617) 8.186 8.950 ( -2.753 -0.373 3.411) 4.399 9.005 ( 6.086 -2.093 -1.938) 6.721 9.700 ( 15.421 -9.796 9.450) 20.569 9.879 ( -15.391 -10.598 -5.011) 19.347 10.615 ( -0.632 7.634 3.319) 8.348 10.727 ( 3.944 10.909 -6.589) 13.340 11.079 ( 2.182 6.153 4.626) 8.001 11.183 ( -3.874 6.103 -4.328) 8.425 12.229 ( -0.834 3.966 3.033) 5.062 12.335 ( -0.339 5.270 -5.889) 7.910 12.907 ( 8.547 -14.313 4.788) 17.344 12.981 ( -6.748 -14.907 -1.734) 16.455 14.013 ( -2.561 -2.475 6.109) 7.072 14.133 ( 2.785 -1.294 -4.154) 5.166 14.787 ( 2.668 1.964 9.880) 10.421 15.054 ( -3.751 2.608 -14.152) 14.871 17.601 ( 3.998 5.160 2.885) 7.137 17.677 ( -3.439 6.048 -3.659) 7.861 18.182 ( 11.604 -2.768 3.826) 12.529 18.249 ( -7.448 -1.240 -2.442) 7.936 21.311 ( -0.709 -0.858 10.053) 10.115 21.560 ( 0.548 -1.471 -12.126) 12.227 22.274 ( -18.922 -23.804 15.580) 34.168 22.450 ( 13.668 -18.366 -1.728) 22.958 25.049 ( 0.580 8.806 2.548) 9.185 25.133 ( -1.257 9.397 -5.369) 10.896 26.044 ( 5.244 -13.977 8.154) 17.010 26.182 ( -2.984 -13.738 -4.362) 14.719 29.014 ( 0.241 0.023 0.758) 0.796 29.033 ( -0.266 -0.241 -0.989) 1.052 29.744 ( -0.404 -3.118 5.543) 6.372 29.848 ( -0.384 -3.416 -3.859) 5.168 37.667 ( -0.808 0.222 0.721) 1.105 37.682 ( 1.249 0.112 -0.510) 1.354 39.022 ( -0.094 0.062 0.273) 0.295 39.028 ( 0.089 -0.410 -0.259) 0.493 69.681 ( -0.317 7.949 1.630) 8.121 69.714 ( -0.077 7.528 -1.166) 7.619 73.767 ( 3.019 21.049 49.975) 54.311 75.002 ( -3.125 21.021 -63.424) 66.890 ======================= Grid point 265 (126/168) ======================= q-point: ( 0.09 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 6.773 6.455 2.994) 9.824 1.538 ( 12.240 -2.769 -13.912) 18.736 1.957 ( 8.098 2.844 -6.550) 10.797 2.108 ( 14.455 4.048 9.710) 17.878 2.641 ( -2.873 3.848 6.175) 7.823 2.661 ( -11.069 0.556 9.432) 14.554 2.867 ( 6.349 5.213 -2.267) 8.522 3.212 ( 10.343 1.177 1.103) 10.468 3.281 ( -0.763 0.419 1.239) 1.514 3.358 ( 3.935 3.707 -11.345) 12.567 3.796 ( -3.247 7.247 1.715) 8.124 3.948 ( 4.143 8.985 3.508) 10.497 4.536 ( -11.086 5.681 -10.665) 16.398 4.725 ( -4.466 3.916 -3.887) 7.099 4.896 ( 0.815 2.948 5.041) 5.896 5.041 ( 4.635 3.647 0.458) 5.915 5.339 ( 1.713 9.024 1.891) 9.377 5.439 ( 7.126 5.158 -0.064) 8.797 6.476 ( -4.490 0.075 -3.018) 5.410 6.669 ( 7.411 -3.029 3.175) 8.613 7.187 ( -6.787 1.807 -1.579) 7.199 7.284 ( 1.620 -2.759 4.477) 5.502 7.823 ( -8.890 1.891 -3.167) 9.625 8.034 ( 3.338 -2.730 1.249) 4.490 8.494 ( -5.219 5.068 2.448) 7.676 8.664 ( 4.221 6.269 -0.997) 7.623 8.909 ( -3.510 0.473 -0.116) 3.544 9.108 ( 9.353 -5.143 -3.576) 11.257 9.553 ( -14.143 -7.922 -9.205) 18.642 10.027 ( 9.694 -11.665 10.124) 18.236 10.579 ( 1.741 11.333 -3.017) 11.856 10.816 ( 8.280 2.584 -3.871) 9.498 11.080 ( -1.772 4.609 -0.618) 4.976 11.246 ( 9.123 9.550 4.005) 13.801 12.245 ( -1.559 3.328 3.586) 5.135 12.310 ( 2.553 5.145 -2.829) 6.402 12.811 ( -9.589 -13.595 -3.654) 17.033 13.066 ( 6.027 -13.537 1.542) 14.898 14.031 ( -2.044 -0.566 5.019) 5.449 14.151 ( 4.891 -4.201 -5.031) 8.178 14.772 ( -10.256 3.232 -3.212) 11.222 14.968 ( 1.121 2.431 4.430) 5.176 17.596 ( -0.792 4.457 -3.641) 5.810 17.727 ( 6.509 5.431 2.676) 8.890 18.082 ( -6.076 -0.888 -3.884) 7.266 18.427 ( 14.010 -3.794 -1.671) 14.610 21.387 ( -3.094 0.089 10.968) 11.397 21.442 ( -0.759 -1.894 -10.835) 11.025 22.082 ( -19.429 -18.036 11.524) 28.906 22.657 ( 12.945 -22.015 -2.836) 25.696 25.047 ( -1.899 8.815 -0.755) 9.048 25.125 ( 2.621 8.709 1.342) 9.193 26.018 ( -8.568 -11.086 -6.835) 15.590 26.156 ( -0.221 -14.719 4.047) 15.267 29.031 ( 1.226 -0.100 -0.592) 1.365 29.040 ( 1.774 -0.091 0.607) 1.877 29.740 ( -4.745 -2.108 1.372) 5.371 29.806 ( -1.679 -3.587 -0.173) 3.964 37.696 ( 3.682 0.547 0.445) 3.749 37.730 ( 5.346 -0.217 -1.018) 5.446 39.001 ( -2.586 -0.094 0.094) 2.589 39.012 ( -1.967 -0.138 -0.085) 1.974 69.712 ( 1.855 8.238 1.512) 8.579 69.720 ( 2.311 7.423 -0.928) 7.830 74.151 ( -20.428 23.160 21.100) 37.402 74.177 ( -22.242 22.318 -22.045) 38.455 ======================= Grid point 266 (127/168) ======================= q-point: ( 0.18 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 10.446 1.182 -15.172) 18.458 1.689 ( 11.062 5.481 -2.790) 12.657 2.023 ( 11.614 7.064 -17.149) 21.883 2.385 ( -4.454 12.397 18.092) 22.380 2.594 ( 3.940 -2.304 -0.490) 4.591 2.776 ( 12.870 -4.959 10.153) 17.126 3.016 ( 8.064 2.734 4.795) 9.772 3.224 ( -3.193 -5.159 -4.802) 7.738 3.365 ( 5.865 5.490 -1.362) 8.148 3.410 ( 8.627 2.638 0.533) 9.037 3.782 ( -0.083 8.239 2.634) 8.650 4.089 ( 1.834 3.783 6.216) 7.504 4.254 ( -7.890 8.609 -8.003) 14.157 4.535 ( -6.788 9.914 -8.006) 14.439 4.946 ( -0.930 1.681 2.405) 3.078 5.131 ( 6.308 2.612 0.430) 6.841 5.405 ( 5.107 12.168 -1.033) 13.236 5.564 ( 9.096 3.674 -2.973) 10.251 6.408 ( -1.148 -1.131 0.197) 1.624 6.800 ( 3.045 -2.862 1.874) 4.579 7.050 ( -10.215 7.219 1.668) 12.619 7.296 ( -7.747 0.291 3.762) 8.618 7.734 ( 1.951 -1.684 2.989) 3.947 8.044 ( -0.969 -5.906 -3.007) 6.699 8.451 ( -4.392 4.827 5.026) 8.237 8.685 ( -0.050 6.475 -3.760) 7.487 8.854 ( -2.975 0.420 1.567) 3.388 9.236 ( 11.963 -8.063 -6.338) 15.757 9.272 ( -8.816 -5.170 -7.853) 12.889 10.137 ( -3.896 -4.788 2.637) 6.713 10.705 ( 17.691 2.854 -4.226) 18.411 10.869 ( 2.886 1.506 -2.688) 4.221 11.116 ( 3.258 2.051 4.774) 6.133 11.451 ( 10.855 7.834 2.295) 13.582 12.250 ( 0.052 0.822 0.385) 0.909 12.343 ( -0.214 2.737 3.560) 4.496 12.632 ( -6.599 -8.125 -2.625) 10.791 13.136 ( 2.623 -10.701 -1.410) 11.108 14.041 ( -3.064 0.914 4.598) 5.601 14.186 ( 5.340 -5.390 -5.378) 9.300 14.572 ( -8.305 2.167 -3.732) 9.359 14.995 ( -5.559 4.109 6.013) 9.162 17.570 ( 1.535 3.035 -2.980) 4.522 17.854 ( 6.038 3.984 1.366) 7.362 18.024 ( 2.160 -0.503 0.516) 2.277 18.592 ( 11.036 -3.780 -6.494) 13.351 21.328 ( -0.744 -2.088 -9.327) 9.587 21.417 ( -7.310 0.279 11.801) 13.884 21.896 ( -15.321 -13.026 9.495) 22.239 22.789 ( 9.065 -24.191 -7.891) 27.013 25.017 ( -0.738 7.216 -0.493) 7.270 25.197 ( 2.721 7.554 3.716) 8.848 25.776 ( -9.852 -5.499 -9.357) 14.658 26.143 ( -4.828 -12.799 1.943) 13.817 29.059 ( 2.902 -0.031 -0.503) 2.946 29.086 ( 2.869 -0.286 0.726) 2.973 29.655 ( -4.871 -0.956 -1.441) 5.169 29.756 ( -5.511 -2.876 1.155) 6.323 37.795 ( 7.821 0.633 0.252) 7.851 37.834 ( 8.524 0.166 -0.857) 8.568 38.941 ( -4.845 -0.016 0.046) 4.845 38.961 ( -4.201 0.099 -0.041) 4.202 69.759 ( 3.450 7.542 -0.181) 8.296 69.772 ( 3.645 8.539 0.172) 9.286 73.293 ( -26.726 24.782 -36.800) 51.794 74.138 ( -37.752 26.870 38.626) 60.325 ======================= Grid point 267 (128/168) ======================= q-point: ( 0.27 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 15.793 2.259 -6.862) 17.367 1.761 ( 6.708 7.393 -9.717) 13.931 2.025 ( 7.829 9.345 -7.469) 14.297 2.466 ( -6.040 9.821 19.945) 23.038 2.709 ( 9.526 0.299 -2.905) 9.964 3.064 ( -4.624 -0.870 -3.543) 5.890 3.165 ( 9.470 -8.295 13.149) 18.204 3.228 ( 10.853 -0.211 -0.339) 10.861 3.411 ( -1.358 2.534 9.037) 9.484 3.542 ( 11.589 7.510 -11.216) 17.791 3.815 ( 0.447 7.032 2.300) 7.412 3.966 ( -6.599 0.562 -9.435) 11.528 4.230 ( -0.981 3.286 3.963) 5.241 4.491 ( 6.605 16.017 1.516) 17.392 4.926 ( -2.617 1.370 0.355) 2.975 5.250 ( 7.328 3.315 0.337) 8.050 5.462 ( 5.845 14.308 -6.245) 16.670 5.670 ( 9.263 1.297 -5.670) 10.937 6.444 ( 1.690 -1.686 4.319) 4.935 6.756 ( -9.597 5.349 2.117) 11.189 6.861 ( -12.660 6.700 -3.595) 14.768 7.218 ( -3.825 2.710 5.717) 7.393 7.846 ( 1.033 -7.948 0.932) 8.069 7.998 ( 2.171 -6.349 0.485) 6.727 8.448 ( -3.873 3.338 7.429) 9.018 8.594 ( -4.568 4.225 -4.448) 7.649 8.862 ( -0.365 -0.046 5.367) 5.380 9.118 ( -3.432 -1.121 -3.632) 5.121 9.359 ( 11.533 -8.949 -8.294) 16.790 10.025 ( -4.849 -0.104 -7.879) 9.252 10.896 ( 0.998 -0.135 3.481) 3.623 11.003 ( 22.204 -1.535 -4.671) 22.742 11.238 ( 3.153 -1.818 7.604) 8.430 11.607 ( 6.810 1.592 -1.721) 7.202 12.260 ( 3.805 -1.884 -3.954) 5.802 12.348 ( -6.331 -0.076 9.690) 11.576 12.591 ( 1.348 -0.320 1.939) 2.383 13.134 ( 0.540 -7.457 -3.724) 8.352 13.996 ( -8.004 -0.296 3.807) 8.868 14.199 ( 0.423 -0.571 -3.202) 3.280 14.461 ( -0.567 -0.062 -2.552) 2.615 14.908 ( -8.198 2.741 0.687) 8.671 17.593 ( 3.103 3.307 0.741) 4.595 17.970 ( 6.664 1.521 1.578) 7.016 18.130 ( 5.169 -1.343 5.553) 7.704 18.664 ( 8.323 -3.460 -10.397) 13.760 21.240 ( 0.505 -2.091 -7.655) 7.952 21.376 ( -11.955 -1.169 11.904) 16.912 21.783 ( -9.844 -7.666 9.278) 15.548 22.782 ( 4.742 -22.543 -16.431) 28.296 25.017 ( 0.496 5.166 1.267) 5.342 25.280 ( 2.730 6.258 3.640) 7.737 25.555 ( -6.132 -0.320 -6.997) 9.309 26.047 ( -7.493 -10.128 -0.309) 12.602 29.115 ( 4.454 -0.020 -0.226) 4.460 29.145 ( 3.546 -0.438 0.532) 3.612 29.559 ( -4.697 -0.722 -2.061) 5.180 29.656 ( -7.188 -0.796 0.359) 7.241 37.946 ( 10.314 0.404 -0.305) 10.326 37.991 ( 10.811 0.717 0.266) 10.838 38.844 ( -7.027 0.158 0.047) 7.029 38.874 ( -6.236 0.312 -0.044) 6.244 69.816 ( 3.756 8.055 -0.724) 8.917 69.829 ( 3.621 8.872 -1.118) 9.647 72.627 ( -17.489 27.050 -22.084) 39.054 73.753 ( -43.075 29.757 21.439) 56.574 ======================= Grid point 268 (129/168) ======================= q-point: ( 0.36 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 8.990 3.614 7.154) 12.044 1.872 ( 19.513 4.566 -5.419) 20.760 2.166 ( 11.091 6.861 2.959) 13.373 2.576 ( -1.849 10.388 14.443) 17.886 2.795 ( 0.829 -3.417 -1.332) 3.759 2.904 ( -6.987 5.685 -1.921) 9.211 3.202 ( -2.480 8.677 -5.123) 10.377 3.362 ( -2.191 -2.769 0.003) 3.531 3.543 ( -7.870 -2.097 2.473) 8.512 3.623 ( 12.916 4.976 3.154) 14.196 3.704 ( 4.971 -0.303 -9.070) 10.347 4.031 ( 10.035 2.924 6.129) 12.116 4.205 ( -4.326 4.659 -2.895) 6.986 4.667 ( 7.203 12.952 5.480) 15.800 4.886 ( -0.557 0.768 -0.804) 1.244 5.358 ( 5.966 5.099 -2.116) 8.128 5.481 ( 5.451 10.021 -7.201) 13.490 5.743 ( 6.133 1.517 -6.772) 9.261 6.436 ( -6.543 3.560 -2.069) 7.730 6.603 ( -12.509 7.232 -3.483) 14.863 6.692 ( -1.864 7.302 10.763) 13.139 7.243 ( -0.850 -0.613 2.561) 2.767 7.782 ( -0.388 -7.115 -4.522) 8.439 8.098 ( 1.454 -7.053 4.143) 8.308 8.453 ( -3.515 2.379 4.927) 6.503 8.491 ( -4.043 3.408 -0.092) 5.288 8.936 ( -1.386 -2.942 10.708) 11.191 9.081 ( 0.163 2.726 2.419) 3.648 9.439 ( 9.108 -8.462 -9.851) 15.862 9.853 ( -1.462 1.774 -15.688) 15.856 10.969 ( 0.526 -2.857 8.625) 9.101 11.312 ( 18.965 -2.567 -3.251) 19.412 11.344 ( 1.689 -6.365 5.118) 8.340 11.635 ( 1.333 -5.917 -4.057) 7.297 12.307 ( 0.896 0.520 3.094) 3.263 12.369 ( 1.851 0.380 4.046) 4.466 12.660 ( 1.908 0.968 4.816) 5.270 13.086 ( -0.257 -4.900 -5.962) 7.721 13.872 ( -10.833 -1.509 4.485) 11.822 14.126 ( -5.324 4.757 -2.458) 7.551 14.482 ( 3.702 -1.729 -0.992) 4.205 14.777 ( -4.714 -1.238 -4.297) 6.498 17.694 ( 5.089 3.660 5.819) 8.553 18.079 ( 4.010 1.393 1.253) 4.426 18.263 ( 1.853 -3.788 8.389) 9.389 18.672 ( 7.607 -3.428 -13.558) 15.920 21.199 ( 2.957 -2.005 -6.018) 6.998 21.276 ( -13.297 -2.130 10.447) 17.044 21.753 ( -6.913 -3.925 11.838) 14.259 22.635 ( 2.477 -16.834 -23.590) 29.086 25.063 ( 1.929 3.232 3.902) 5.421 25.343 ( 2.394 5.735 -0.956) 6.288 25.457 ( -1.244 -0.053 0.453) 1.325 25.903 ( -8.070 -7.155 -2.345) 11.037 29.197 ( 5.665 -0.008 -0.108) 5.666 29.210 ( 3.734 -0.442 0.418) 3.784 29.463 ( -4.674 -0.541 -1.800) 5.037 29.540 ( -6.862 0.443 -0.097) 6.877 38.120 ( 11.153 0.538 -0.444) 11.175 38.180 ( 11.134 0.841 0.741) 11.191 38.715 ( -8.730 0.338 0.093) 8.737 38.759 ( -7.697 0.402 -0.082) 7.708 69.860 ( 1.935 9.724 -0.665) 9.937 69.863 ( 3.413 8.547 -3.063) 9.699 72.310 ( -3.175 27.659 -7.765) 28.903 73.235 ( -36.050 29.173 7.685) 47.008 ======================= Grid point 269 (130/168) ======================= q-point: ( 0.45 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 5.107 -1.317 17.951) 18.709 2.199 ( 22.221 5.132 -3.097) 23.015 2.366 ( 3.277 3.353 6.991) 8.418 2.650 ( -6.693 6.218 -3.693) 9.854 2.695 ( 3.025 7.251 3.129) 8.457 2.821 ( -8.254 6.793 -5.306) 11.934 3.112 ( 0.468 9.776 -0.942) 9.832 3.289 ( -5.503 3.025 9.885) 11.711 3.402 ( -2.582 -0.790 -5.545) 6.167 3.772 ( 1.474 -4.472 -0.892) 4.793 3.826 ( 8.060 0.612 -1.002) 8.145 3.994 ( -8.528 7.442 -11.588) 16.199 4.288 ( 7.653 4.968 11.275) 14.504 4.707 ( -1.657 8.937 -5.136) 10.440 4.990 ( 8.003 2.500 7.291) 11.111 5.356 ( -1.285 6.710 -7.538) 10.173 5.518 ( 2.767 0.049 0.286) 2.782 5.711 ( 0.081 3.058 -9.063) 9.565 6.330 ( -1.980 10.351 -0.310) 10.543 6.410 ( -7.139 8.405 -1.928) 11.195 6.836 ( 4.322 2.178 10.710) 11.753 7.185 ( -4.478 -2.224 -4.896) 6.998 7.822 ( 5.185 -4.790 3.337) 7.809 8.074 ( -4.519 -5.621 -2.745) 7.717 8.435 ( -1.125 2.192 1.684) 2.984 8.471 ( -1.466 2.560 2.412) 3.810 9.014 ( -4.120 -2.240 15.242) 15.947 9.157 ( 1.521 3.022 7.245) 7.996 9.459 ( 4.803 -7.117 -9.558) 12.848 9.680 ( 3.220 2.438 -21.156) 21.538 11.075 ( -0.738 -7.188 12.390) 14.343 11.360 ( -1.071 -5.718 -1.683) 6.056 11.515 ( 0.994 -6.640 4.079) 7.856 11.642 ( 10.906 -7.806 -9.546) 16.463 12.317 ( -7.483 1.437 10.451) 12.934 12.471 ( 8.714 1.150 -4.516) 9.882 12.731 ( -0.978 0.923 7.541) 7.660 13.018 ( 1.118 -3.628 -8.461) 9.273 13.783 ( -5.621 -1.073 6.960) 9.011 14.007 ( -3.859 5.003 -4.334) 7.662 14.528 ( 0.860 -1.355 1.708) 2.344 14.681 ( -0.392 -4.316 -6.565) 7.866 17.860 ( 5.992 3.143 8.424) 10.805 18.101 ( -1.750 1.675 -1.182) 2.696 18.340 ( -3.631 -4.126 9.671) 11.124 18.659 ( 8.449 -4.184 -15.294) 17.966 21.165 ( -11.370 -1.928 8.697) 14.444 21.221 ( 6.207 -1.892 -4.756) 8.045 21.785 ( -6.295 -2.967 16.422) 17.836 22.428 ( 2.740 -10.914 -25.447) 27.824 25.146 ( 1.775 2.005 5.639) 6.242 25.329 ( -0.011 3.335 -4.439) 5.552 25.515 ( 3.746 -0.588 4.729) 6.062 25.752 ( -6.020 -4.246 -4.222) 8.491 29.269 ( 2.798 -0.339 0.616) 2.885 29.295 ( 5.774 0.032 -0.407) 5.788 29.376 ( -3.913 -0.197 -0.482) 3.947 29.434 ( -5.363 0.520 -0.774) 5.444 38.289 ( 9.052 0.825 -0.041) 9.089 38.341 ( 6.018 0.945 0.152) 6.094 38.581 ( -6.008 0.473 0.553) 6.052 38.631 ( -6.853 0.174 -0.407) 6.867 69.862 ( -0.503 9.827 -0.585) 9.857 69.884 ( 2.406 9.604 -2.975) 10.338 72.356 ( 11.776 27.078 1.647) 29.573 72.766 ( -24.697 27.574 -0.777) 37.025 ======================= Grid point 270 (131/168) ======================= q-point: (-0.45 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -16.054 0.920 10.097) 18.988 2.349 ( -8.346 -0.944 -5.307) 9.936 2.495 ( 5.692 4.787 -4.535) 8.711 2.524 ( -2.846 15.739 -1.896) 16.107 2.589 ( 3.261 1.330 5.556) 6.578 2.800 ( 8.995 12.536 -5.562) 16.401 3.177 ( -2.148 -3.352 10.915) 11.618 3.305 ( -3.629 -0.986 -9.456) 10.176 3.487 ( 4.596 6.954 18.450) 20.246 3.584 ( -5.100 8.213 -9.849) 13.801 3.869 ( -0.503 2.266 -2.286) 3.257 3.881 ( 0.894 1.291 -2.658) 3.087 4.464 ( -1.930 5.176 7.163) 9.046 4.621 ( 4.229 6.237 -8.588) 11.426 5.177 ( -4.639 2.988 -1.981) 5.863 5.184 ( -0.354 5.175 1.142) 5.312 5.494 ( -8.963 -0.277 2.441) 9.294 5.657 ( 3.391 2.279 -4.311) 5.939 6.340 ( 0.215 5.631 -0.796) 5.691 6.376 ( 6.572 12.427 0.999) 14.093 7.023 ( 5.605 -0.304 7.456) 9.333 7.043 ( -3.268 -1.216 -6.517) 7.391 7.882 ( -8.510 -5.759 1.087) 10.333 8.007 ( 5.568 -2.949 0.096) 6.302 8.465 ( 2.594 2.291 1.371) 3.723 8.480 ( 1.919 1.755 -0.600) 2.669 9.096 ( -6.440 -2.710 16.464) 17.885 9.236 ( -0.281 5.240 5.832) 7.845 9.392 ( -1.477 -3.506 -9.323) 10.069 9.573 ( 9.466 -0.530 -19.650) 21.817 11.161 ( -5.736 -10.897 12.531) 17.569 11.306 ( -0.241 -5.295 -4.682) 7.072 11.460 ( -9.119 -4.613 3.088) 10.676 11.734 ( 9.504 -8.211 -11.113) 16.770 12.270 ( -11.118 2.682 11.034) 15.892 12.529 ( 5.449 1.680 -7.440) 9.374 12.769 ( -5.086 -2.278 10.213) 11.635 12.976 ( 5.217 -2.584 -9.718) 11.328 13.846 ( 3.540 0.952 8.367) 9.135 13.950 ( 3.470 2.198 -5.525) 6.884 14.527 ( -4.118 -2.685 2.841) 5.678 14.641 ( 3.057 -3.273 -4.817) 6.577 18.004 ( -5.865 2.107 -4.263) 7.550 18.032 ( 4.935 2.042 6.036) 8.059 18.341 ( -8.333 -2.498 11.515) 14.431 18.636 ( 7.035 -5.768 -16.013) 18.417 21.086 ( -8.059 -1.650 7.640) 11.227 21.307 ( 9.585 -2.396 -4.225) 10.745 21.873 ( -6.333 -4.195 22.345) 23.601 22.238 ( 3.916 -7.227 -23.223) 24.635 25.213 ( -0.959 2.555 5.141) 5.820 25.265 ( -1.973 2.341 -3.958) 5.004 25.633 ( -1.331 -2.406 -4.995) 5.702 25.657 ( 6.894 -2.558 3.385) 8.095 29.280 ( -3.964 0.209 0.791) 4.047 29.282 ( -3.934 -0.598 -0.426) 4.002 29.383 ( 1.666 -0.041 -1.054) 1.972 29.419 ( 6.467 0.731 0.437) 6.523 38.292 ( -9.518 0.791 -0.218) 9.553 38.341 ( -5.035 0.873 0.201) 5.114 38.592 ( 5.199 0.041 -0.242) 5.205 38.622 ( 7.412 0.575 0.243) 7.439 69.837 ( -2.477 9.731 0.712) 10.067 69.882 ( 0.522 9.968 -2.178) 10.216 72.423 ( -13.486 27.284 -4.146) 30.716 72.708 ( 26.767 27.816 4.241) 38.835 ======================= Grid point 271 (132/168) ======================= q-point: (-0.36 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -21.975 7.792 0.650) 23.325 1.998 ( -17.090 9.055 -10.176) 21.855 2.294 ( -10.002 4.299 -8.198) 13.628 2.653 ( -0.395 12.223 5.776) 13.525 2.785 ( 10.467 -2.155 -0.098) 10.687 2.901 ( 0.844 2.986 3.151) 4.423 3.049 ( -8.716 7.007 -3.191) 11.630 3.323 ( 4.582 2.491 14.178) 15.107 3.450 ( 0.946 1.552 -4.463) 4.819 3.652 ( -7.273 4.249 -0.035) 8.423 3.791 ( -2.753 -0.481 -6.401) 6.984 3.994 ( 7.109 2.837 10.622) 13.093 4.340 ( -3.174 4.922 -13.052) 14.306 4.713 ( 5.297 5.398 2.871) 8.089 4.924 ( -10.312 3.993 -8.555) 13.981 5.246 ( -4.189 9.255 5.073) 11.355 5.375 ( -7.769 3.452 4.598) 9.665 5.657 ( -3.020 -0.347 1.450) 3.368 6.395 ( 5.335 -0.071 1.483) 5.538 6.551 ( 13.055 10.256 1.101) 16.638 6.913 ( -1.220 3.206 -8.244) 8.929 7.207 ( 6.553 -2.114 4.563) 8.260 7.727 ( -7.575 -5.458 0.838) 9.374 8.112 ( 3.072 -4.534 2.099) 5.865 8.513 ( 4.163 2.126 -2.145) 5.143 8.538 ( 4.718 2.703 -0.869) 5.506 9.087 ( -8.500 -1.383 6.567) 10.830 9.248 ( -0.667 -2.588 -9.785) 10.144 9.264 ( -4.320 1.527 1.667) 4.876 9.615 ( 9.840 0.609 -3.544) 10.476 11.112 ( -8.642 -9.689 3.888) 13.553 11.189 ( -14.075 -1.144 0.626) 14.136 11.399 ( 1.504 -4.216 -0.308) 4.487 11.703 ( -1.232 -5.903 -8.503) 10.424 12.190 ( -9.542 2.358 8.420) 12.943 12.516 ( 2.015 1.862 -6.168) 6.751 12.781 ( -1.380 -6.422 2.841) 7.157 12.988 ( 4.243 -2.854 -4.210) 6.623 13.997 ( 8.070 2.838 -3.683) 9.314 14.020 ( 6.061 -1.190 5.522) 8.285 14.462 ( -5.112 -3.493 0.741) 6.236 14.699 ( 6.544 -0.207 1.212) 6.658 17.839 ( -7.143 2.948 -6.221) 9.920 18.097 ( -1.913 1.027 -0.223) 2.183 18.347 ( -5.809 -0.817 15.100) 16.200 18.547 ( 1.499 -6.878 -16.810) 18.225 21.056 ( -4.597 -1.958 7.168) 8.738 21.442 ( 11.774 -3.463 -4.341) 13.018 22.020 ( -5.541 -7.835 25.443) 27.192 22.103 ( 4.178 -6.180 -16.130) 17.772 25.151 ( -4.351 3.036 -3.090) 6.140 25.270 ( 0.063 5.105 3.972) 6.468 25.559 ( 0.338 -1.425 -7.214) 7.361 25.836 ( 9.268 -5.813 3.574) 11.509 29.196 ( -5.446 0.052 0.047) 5.447 29.216 ( -3.986 -0.534 -0.057) 4.022 29.432 ( 3.549 -0.092 0.666) 3.612 29.535 ( 7.149 1.067 0.228) 7.231 38.113 ( -11.416 0.643 0.140) 11.435 38.196 ( -10.560 0.304 -0.556) 10.579 38.717 ( 8.521 0.083 -0.143) 8.523 38.756 ( 7.859 0.677 0.158) 7.889 69.800 ( -3.531 9.281 1.970) 10.124 69.860 ( -1.294 9.740 -0.825) 9.861 72.247 ( -3.724 28.731 -2.182) 29.053 73.306 ( 42.356 30.909 1.479) 52.455 ======================= Grid point 272 (133/168) ======================= q-point: (-0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -20.688 9.994 -0.190) 22.976 1.685 ( -12.351 13.754 -1.988) 18.592 2.046 ( -8.544 7.487 -8.730) 14.327 2.566 ( -18.520 10.178 8.962) 22.955 2.774 ( 0.810 8.221 -7.187) 10.950 2.953 ( 2.174 -3.792 5.249) 6.831 3.097 ( -1.438 -2.966 8.578) 9.190 3.380 ( -11.722 4.868 4.384) 13.429 3.425 ( -3.811 0.366 -9.312) 10.068 3.592 ( 2.833 4.603 7.885) 9.559 3.715 ( 5.407 2.813 -4.611) 7.643 4.006 ( -3.761 -1.869 -9.985) 10.832 4.296 ( 6.660 2.718 -3.489) 7.995 4.658 ( -6.582 11.667 -11.681) 17.773 4.843 ( 1.161 0.401 7.350) 7.452 5.197 ( -6.597 13.702 4.554) 15.875 5.323 ( -4.815 5.825 4.912) 9.014 5.586 ( -7.205 -1.528 2.231) 7.695 6.481 ( 1.426 -5.572 1.169) 5.869 6.806 ( 16.066 7.156 1.262) 17.633 6.850 ( 2.036 5.360 -5.818) 8.169 7.304 ( 5.018 1.266 -2.189) 5.620 7.722 ( 1.371 -6.970 7.901) 10.625 8.106 ( -3.677 -5.857 -3.814) 7.897 8.560 ( 4.530 4.313 -2.788) 6.848 8.599 ( 5.263 3.576 -2.872) 6.981 8.999 ( -7.697 -2.306 3.691) 8.842 9.070 ( -4.665 -4.520 -10.809) 12.611 9.248 ( -1.990 0.389 2.130) 2.941 9.797 ( 8.979 1.788 7.467) 11.814 10.898 ( -20.514 -2.707 4.831) 21.248 11.030 ( -2.397 1.000 -5.945) 6.488 11.393 ( -1.869 -4.839 -4.730) 7.020 11.560 ( -9.606 1.773 0.999) 9.820 12.152 ( -2.512 -1.085 4.470) 5.241 12.495 ( 1.389 -0.194 -2.956) 3.272 12.758 ( 1.794 -4.819 -9.516) 10.816 13.025 ( 0.541 -7.050 3.645) 7.954 14.080 ( 3.995 -2.810 -1.061) 4.999 14.115 ( -0.482 1.631 2.809) 3.283 14.417 ( 0.682 -1.943 0.072) 2.060 14.887 ( 13.306 3.309 2.639) 13.963 17.670 ( -5.854 3.564 -5.346) 8.692 18.001 ( -7.411 1.608 -1.056) 7.657 18.349 ( -5.167 -5.541 -15.439) 17.198 18.418 ( -3.766 -0.687 11.913) 12.513 21.075 ( -1.861 -2.360 7.298) 7.893 21.590 ( 11.728 -4.079 -5.752) 13.684 22.018 ( 6.038 -6.824 -13.588) 16.360 22.225 ( -6.834 -16.081 31.515) 36.034 25.063 ( -2.743 4.861 -2.322) 6.045 25.322 ( 2.196 7.286 2.472) 8.001 25.500 ( 0.534 -0.780 -4.913) 5.003 26.015 ( 8.587 -8.904 2.383) 12.598 29.113 ( -4.534 0.058 -0.004) 4.535 29.154 ( -3.432 -0.683 -0.189) 3.504 29.504 ( 3.376 -0.346 2.362) 4.135 29.657 ( 7.493 0.878 0.182) 7.546 37.935 ( -10.361 0.459 0.466) 10.381 38.010 ( -10.764 0.141 -1.149) 10.826 38.845 ( 6.965 0.045 -0.032) 6.966 38.873 ( 6.284 0.452 0.051) 6.300 69.764 ( -3.746 8.445 2.718) 9.630 69.825 ( -2.291 9.103 -0.144) 9.388 72.280 ( 5.039 30.425 8.021) 31.865 74.101 ( 57.944 34.017 -8.765) 67.760 ======================= Grid point 273 (134/168) ======================= q-point: (-0.18 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -14.755 9.599 5.077) 18.320 1.560 ( -8.739 14.769 9.338) 19.537 1.854 ( -7.427 7.004 -5.069) 11.398 2.363 ( -18.215 10.873 16.355) 26.786 2.716 ( -0.168 11.193 -9.901) 14.945 2.916 ( -14.820 -2.821 -0.660) 15.101 3.048 ( -2.430 -8.083 6.587) 10.706 3.228 ( -12.613 5.556 1.233) 13.837 3.322 ( 2.032 -4.393 -8.853) 10.089 3.569 ( 1.872 1.121 -10.877) 11.093 3.858 ( 5.169 5.367 1.075) 7.529 3.971 ( 4.968 3.175 5.457) 8.034 4.341 ( 2.580 2.866 -6.557) 7.607 4.477 ( 0.279 11.203 -6.345) 12.878 4.927 ( 1.002 1.158 5.034) 5.262 5.119 ( -6.497 10.490 1.478) 12.427 5.317 ( -2.709 11.352 5.755) 13.013 5.487 ( -7.298 -1.876 2.294) 7.877 6.459 ( -1.478 -6.092 -2.873) 6.896 6.825 ( -2.147 -0.590 -0.609) 2.308 7.067 ( 13.682 5.408 -0.397) 14.717 7.393 ( 9.867 5.297 -3.864) 11.847 7.832 ( -0.998 -6.742 0.807) 6.863 7.954 ( -4.286 -4.373 -0.898) 6.189 8.602 ( 2.839 5.741 -2.684) 6.944 8.647 ( 5.193 6.014 -5.723) 9.792 8.886 ( -3.885 -1.897 -1.022) 4.442 8.980 ( -6.096 -4.576 7.814) 10.916 9.259 ( 3.132 -1.614 -0.056) 3.524 10.024 ( 6.574 -2.215 10.054) 12.215 10.631 ( -15.128 3.453 2.294) 15.686 10.936 ( -2.104 3.812 -5.922) 7.351 11.231 ( -9.101 -0.604 -5.514) 10.659 11.442 ( -8.392 5.386 2.611) 10.308 12.185 ( 1.013 -0.856 2.849) 3.142 12.509 ( 2.281 -3.653 -1.742) 4.645 12.658 ( 0.431 -2.084 -10.526) 10.739 13.067 ( -1.085 -11.297 4.772) 12.312 14.053 ( -7.696 -4.941 5.830) 10.846 14.135 ( 2.585 2.935 -2.708) 4.756 14.490 ( 6.047 -0.974 1.895) 6.411 15.124 ( 14.135 4.950 -4.196) 15.554 17.559 ( -2.864 3.786 -2.105) 5.193 17.868 ( -7.004 2.750 -0.409) 7.536 18.110 ( -7.646 -1.382 -8.192) 11.291 18.443 ( -5.162 -1.058 7.137) 8.871 21.135 ( -0.255 -2.307 7.983) 8.313 21.680 ( 8.201 -2.153 -10.438) 13.448 22.043 ( 9.058 -11.921 -5.086) 15.813 22.394 ( -9.917 -24.415 27.731) 38.255 25.020 ( -0.742 6.632 -0.671) 6.707 25.323 ( 0.060 6.845 -7.459) 10.123 25.566 ( 6.642 -1.125 8.543) 10.879 26.153 ( 6.023 -11.504 0.836) 13.012 29.051 ( -3.099 0.066 0.181) 3.105 29.100 ( -2.637 -0.648 -0.520) 2.764 29.588 ( 3.001 -1.078 3.861) 5.008 29.778 ( 7.017 -0.963 -0.425) 7.095 37.790 ( -7.800 0.332 0.587) 7.829 37.835 ( -8.919 0.477 -0.875) 8.975 38.941 ( 4.735 0.022 0.034) 4.735 38.960 ( 4.299 0.083 -0.016) 4.300 69.728 ( -3.620 7.653 2.102) 8.723 69.783 ( -2.490 8.374 -0.371) 8.744 72.591 ( 12.780 28.832 25.116) 40.317 74.935 ( 63.274 30.668 -31.135) 76.899 ======================= Grid point 274 (135/168) ======================= q-point: (-0.09 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -6.460 6.573 13.787) 16.583 1.547 ( -5.564 8.852 13.111) 16.769 1.677 ( -8.134 4.314 -3.898) 9.998 2.362 ( -5.459 13.160 21.451) 25.751 2.466 ( -12.354 4.220 -14.353) 19.403 2.783 ( -2.646 2.348 1.131) 3.714 2.991 ( -7.994 2.058 -7.391) 11.080 3.104 ( -3.641 -3.679 10.995) 12.153 3.269 ( 2.471 -4.693 -9.859) 11.195 3.490 ( 0.670 2.590 -9.658) 10.022 3.852 ( 0.116 7.417 -6.399) 9.797 4.134 ( -0.389 2.021 -3.720) 4.252 4.306 ( 9.204 13.001 5.302) 16.788 4.599 ( 9.335 2.025 4.756) 10.671 4.969 ( 0.102 1.504 1.368) 2.036 5.023 ( -5.864 8.200 -0.295) 10.085 5.331 ( -1.152 10.962 3.035) 11.433 5.399 ( -6.309 1.144 2.550) 6.900 6.426 ( 0.605 -5.939 -0.718) 6.013 6.766 ( -3.869 -1.172 -1.602) 4.348 7.206 ( 5.862 3.856 -3.613) 7.892 7.458 ( 0.725 -1.146 -10.046) 10.137 7.736 ( 1.793 1.326 2.674) 3.482 8.016 ( 0.841 -4.611 4.132) 6.249 8.591 ( 2.499 6.151 -5.511) 8.628 8.641 ( -2.007 7.207 -1.326) 7.598 8.900 ( 2.487 0.316 2.798) 3.757 8.979 ( -3.682 -3.291 6.773) 8.382 9.393 ( 11.798 -6.099 4.075) 13.892 10.107 ( -8.643 -11.603 4.176) 15.059 10.525 ( 2.141 10.415 1.367) 10.720 10.830 ( -5.187 7.835 -4.255) 10.315 11.070 ( -4.759 4.126 -0.641) 6.331 11.314 ( -7.336 5.889 -1.960) 9.609 12.215 ( -0.196 2.445 1.896) 3.100 12.435 ( -2.490 3.118 -8.834) 9.694 12.711 ( 8.085 -10.952 4.279) 14.269 13.066 ( -3.460 -13.882 1.821) 14.423 14.007 ( -4.922 -3.423 6.473) 8.823 14.137 ( 1.474 0.964 -3.060) 3.530 14.630 ( 6.076 -0.007 5.684) 8.320 15.199 ( 4.692 4.167 -12.910) 14.354 17.538 ( 0.817 4.261 1.122) 4.481 17.776 ( -4.736 5.652 -1.074) 7.452 18.010 ( 1.890 -0.919 1.731) 2.723 18.385 ( -7.589 -1.289 2.223) 8.012 21.220 ( 0.136 -1.747 9.000) 9.169 21.654 ( 3.451 -1.068 -12.795) 13.295 22.202 ( 11.377 -17.250 1.389) 20.710 22.424 ( -14.064 -25.820 18.107) 34.530 25.020 ( 0.468 8.048 0.912) 8.113 25.227 ( -1.895 8.261 -7.387) 11.243 25.817 ( 9.853 -8.448 10.886) 16.940 26.218 ( 1.957 -13.304 -1.318) 13.512 29.017 ( -1.421 0.077 0.480) 1.502 29.058 ( -1.596 -0.472 -0.851) 1.869 29.674 ( 2.096 -2.088 4.902) 5.726 29.857 ( 3.679 -3.413 -2.365) 5.548 37.698 ( -3.863 0.280 0.468) 3.901 37.715 ( -4.957 0.580 0.011) 4.991 39.000 ( 2.405 0.028 0.142) 2.409 39.012 ( 2.138 -0.247 -0.125) 2.156 69.692 ( -2.613 7.611 1.434) 8.174 69.741 ( -1.804 7.855 -0.873) 8.107 73.155 ( 13.939 23.828 40.794) 49.257 75.356 ( 37.494 22.381 -57.989) 72.591 ======================= Grid point 275 (136/168) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 6.413 15.933 6.672) 18.425 1.613 ( 1.282 7.903 -11.167) 13.741 1.826 ( 2.916 5.816 13.088) 14.616 2.138 ( -6.743 -0.703 -14.313) 15.838 2.648 ( -1.461 -2.399 10.786) 11.146 2.749 ( -7.362 -1.676 0.143) 7.552 2.946 ( 1.577 1.756 -2.290) 3.288 2.978 ( 3.809 -5.945 -2.027) 7.346 3.307 ( -1.843 5.658 6.955) 9.154 3.507 ( 4.524 4.164 -8.015) 10.102 3.994 ( 1.774 7.732 0.204) 7.936 4.085 ( -3.775 4.026 -6.338) 8.404 4.664 ( 5.757 0.369 7.343) 9.338 4.731 ( -0.596 1.211 3.240) 3.510 5.010 ( -3.437 1.213 0.005) 3.645 5.060 ( 1.491 2.556 -5.337) 6.102 5.486 ( 1.887 11.912 7.637) 14.276 5.622 ( -2.722 17.410 -3.420) 17.951 6.383 ( 2.282 -4.624 11.501) 12.604 6.659 ( -1.694 -0.396 -9.559) 9.716 7.240 ( -1.311 0.116 -2.065) 2.449 7.287 ( -1.514 -1.336 -6.471) 6.779 7.847 ( 1.844 -2.710 7.192) 7.904 7.975 ( -0.408 -2.087 -3.377) 3.990 8.656 ( -5.533 3.325 1.852) 6.716 8.704 ( 4.066 2.882 -2.305) 5.491 8.969 ( 0.238 2.095 0.109) 2.111 8.976 ( 2.834 -0.479 -0.547) 2.926 9.531 ( 11.954 -7.133 7.223) 15.683 9.685 ( -12.509 -9.057 -5.064) 16.252 10.732 ( 2.607 4.209 1.796) 5.267 10.840 ( 1.799 1.547 -8.217) 8.552 11.289 ( -2.281 14.127 5.600) 15.367 11.379 ( -0.073 13.867 -2.811) 14.149 12.323 ( -2.151 5.353 5.508) 7.976 12.431 ( -1.537 3.568 -2.776) 4.774 12.624 ( 8.129 -14.531 1.740) 16.741 12.668 ( -5.592 -16.271 -1.016) 17.235 13.977 ( -0.695 -1.072 5.333) 5.484 14.109 ( 1.742 -1.395 -6.133) 6.526 14.797 ( 3.259 -0.444 10.149) 10.668 15.037 ( -4.929 -3.631 -11.536) 13.060 17.718 ( 4.516 6.488 3.436) 8.620 17.808 ( -4.176 7.052 -4.224) 9.220 18.121 ( 9.411 -3.438 4.809) 11.114 18.214 ( -6.881 -2.400 -3.686) 8.167 21.305 ( 0.315 0.422 9.682) 9.696 21.536 ( -0.546 -0.734 -10.754) 10.793 21.880 ( -13.485 -16.405 15.149) 26.086 22.104 ( 11.193 -16.268 -5.250) 20.433 25.209 ( 0.513 7.440 2.870) 7.991 25.291 ( -0.918 6.723 -4.504) 8.144 25.813 ( 2.970 -9.640 6.126) 11.802 25.928 ( -1.865 -11.661 -4.120) 12.507 29.014 ( 0.183 0.023 0.570) 0.599 29.028 ( -0.175 -0.316 -0.634) 0.729 29.702 ( -0.389 -1.221 4.210) 4.401 29.789 ( 0.101 -2.677 -3.519) 4.423 37.673 ( -0.381 0.350 0.613) 0.802 37.686 ( 0.516 0.216 -0.488) 0.742 39.021 ( -0.063 -0.289 0.069) 0.303 39.022 ( 0.060 -0.031 -0.066) 0.094 69.839 ( 0.042 7.620 1.326) 7.735 69.862 ( -0.456 7.106 -0.661) 7.151 74.207 ( 2.484 22.535 41.128) 46.962 75.229 ( -2.441 3.213 -50.435) 50.596 ======================= Grid point 276 (137/168) ======================= q-point: ( 0.09 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 4.091 7.908 -16.618) 18.852 1.628 ( 13.801 13.192 4.769) 19.679 2.005 ( 8.632 2.043 -4.038) 9.746 2.146 ( 14.836 0.488 9.458) 17.601 2.573 ( -9.084 -8.926 4.175) 13.402 2.720 ( -7.556 2.613 6.646) 10.397 2.978 ( 9.035 5.496 -3.067) 11.011 3.092 ( 8.147 -8.131 -4.113) 12.223 3.343 ( -2.053 4.867 8.872) 10.326 3.496 ( 5.340 6.516 -10.943) 13.810 3.942 ( -3.651 6.895 -0.720) 7.835 4.084 ( 2.291 4.514 3.474) 6.139 4.608 ( -9.079 2.752 -4.618) 10.552 4.789 ( 1.335 1.545 -2.934) 3.574 4.970 ( -1.712 3.148 3.830) 5.245 5.070 ( 2.674 -0.624 -0.455) 2.784 5.563 ( 2.269 13.289 -4.208) 14.123 5.641 ( 6.548 14.723 6.074) 17.221 6.466 ( -3.155 -0.930 -5.077) 6.049 6.614 ( 6.366 -2.353 4.347) 8.060 7.231 ( -1.581 0.909 2.039) 2.736 7.239 ( 0.074 -0.302 1.119) 1.161 7.834 ( -7.153 -0.715 -1.747) 7.398 7.953 ( 0.437 -5.201 0.047) 5.220 8.589 ( -5.496 4.318 2.927) 7.577 8.764 ( 4.902 2.896 -0.809) 5.751 8.928 ( -2.961 1.658 -2.171) 4.029 9.027 ( 4.250 -2.556 -2.272) 5.455 9.416 ( -11.364 -5.427 -6.903) 14.362 9.800 ( 9.716 -11.030 8.165) 16.815 10.754 ( 2.322 5.713 -4.188) 7.454 10.844 ( 5.191 0.490 -3.531) 6.297 11.224 ( -5.660 10.539 2.555) 12.233 11.489 ( 9.023 14.919 1.506) 17.500 12.307 ( -5.801 0.827 3.083) 6.621 12.391 ( -2.019 1.697 1.039) 2.835 12.553 ( -3.576 -9.598 -2.085) 10.452 12.792 ( 8.971 -14.226 -0.200) 16.820 14.021 ( -0.372 -0.453 4.587) 4.624 14.087 ( 3.563 -2.384 -6.219) 7.553 14.799 ( -8.733 -0.028 -5.343) 10.238 14.960 ( 0.798 -2.726 7.722) 8.227 17.703 ( -2.391 6.152 -4.230) 7.839 17.848 ( 5.715 6.640 3.394) 9.395 18.057 ( -4.992 -1.717 -4.351) 6.841 18.342 ( 11.593 -4.878 1.104) 12.626 21.383 ( -2.790 -0.777 4.986) 5.766 21.431 ( 0.025 1.484 -4.834) 5.057 21.764 ( -14.754 -13.813 10.808) 22.919 22.247 ( 11.980 -19.294 -6.421) 23.601 25.208 ( -2.492 7.451 -0.758) 7.893 25.275 ( 1.544 6.547 1.129) 6.821 25.820 ( -4.656 -8.803 -5.386) 11.321 25.894 ( 0.050 -11.657 4.004) 12.325 29.029 ( 1.240 -0.078 -0.346) 1.290 29.037 ( 1.704 -0.194 0.325) 1.746 29.707 ( -3.261 -1.201 1.720) 3.877 29.747 ( -1.480 -2.406 -1.244) 3.087 37.707 ( 4.024 0.583 0.368) 4.083 37.728 ( 5.106 -0.007 -0.548) 5.135 38.999 ( -2.423 -0.066 0.022) 2.424 39.009 ( -1.845 -0.137 -0.017) 1.850 69.866 ( 1.816 7.262 -0.317) 7.493 69.874 ( 2.494 7.502 0.981) 7.966 74.534 ( -15.637 15.448 34.730) 41.102 74.548 ( -19.832 14.982 -35.622) 43.436 ======================= Grid point 277 (138/168) ======================= q-point: ( 0.18 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 7.904 6.331 -11.672) 15.453 1.867 ( 11.169 11.512 -2.408) 16.220 2.133 ( 9.292 3.662 -6.071) 11.688 2.468 ( 4.659 -7.669 8.611) 12.437 2.592 ( 5.866 6.454 14.946) 17.304 2.697 ( 2.913 -2.632 3.192) 5.060 3.058 ( 1.298 -2.141 -3.486) 4.292 3.125 ( 4.518 -0.568 -2.574) 5.231 3.440 ( 0.771 3.715 5.277) 6.499 3.517 ( 11.830 5.715 -5.620) 14.289 3.940 ( 1.074 6.335 1.283) 6.552 4.118 ( -1.997 -0.419 0.665) 2.146 4.390 ( -8.556 6.471 -5.828) 12.209 4.729 ( -0.132 6.638 -5.268) 8.475 4.991 ( -1.541 2.880 2.326) 4.010 5.134 ( 3.581 -1.862 3.426) 5.294 5.603 ( 8.070 8.955 -5.063) 13.075 5.802 ( 7.213 18.922 0.767) 20.265 6.364 ( 0.608 -3.372 -6.307) 7.178 6.767 ( 4.586 -0.988 4.605) 6.574 7.198 ( -5.041 6.363 -0.937) 8.172 7.277 ( -3.228 -0.325 9.017) 9.583 7.715 ( -3.536 -0.706 0.808) 3.695 7.917 ( -3.063 -6.768 -3.007) 8.015 8.534 ( -5.695 3.700 4.548) 8.173 8.801 ( -2.596 4.800 -4.478) 7.059 8.856 ( -1.025 -0.659 1.522) 1.950 9.059 ( 6.131 -8.244 -8.368) 13.250 9.238 ( -4.375 1.301 -0.446) 4.587 9.970 ( 2.427 -10.537 4.943) 11.889 10.791 ( 8.750 4.005 -5.981) 11.331 10.889 ( 4.044 0.213 -2.428) 4.721 11.200 ( -1.412 6.760 3.966) 7.964 11.627 ( 4.986 9.855 0.306) 11.049 12.219 ( -3.379 -5.931 -1.746) 7.046 12.375 ( -4.912 1.854 6.874) 8.650 12.531 ( 1.660 -1.333 0.022) 2.129 12.906 ( 6.497 -12.510 -2.423) 14.303 14.032 ( -2.366 -1.677 1.450) 3.242 14.116 ( 6.109 -2.131 -4.186) 7.706 14.614 ( -7.272 2.490 -4.000) 8.665 15.001 ( -5.933 -2.851 7.177) 9.738 17.652 ( 0.615 5.058 -2.713) 5.773 17.921 ( 1.835 1.703 -1.300) 2.821 18.037 ( 4.364 2.903 2.480) 5.798 18.505 ( 9.317 -5.113 -3.166) 11.090 21.299 ( -1.397 -0.733 -7.431) 7.596 21.433 ( -7.137 1.500 8.140) 10.929 21.658 ( -8.928 -10.461 9.178) 16.534 22.347 ( 9.824 -20.586 -9.872) 24.855 25.157 ( -2.289 6.857 -0.837) 7.277 25.321 ( 1.211 5.113 3.101) 6.102 25.677 ( -5.194 -4.433 -6.077) 9.141 25.901 ( -2.876 -11.269 2.244) 11.844 29.058 ( 2.847 0.023 -0.351) 2.868 29.079 ( 2.837 -0.418 0.386) 2.893 29.640 ( -3.997 -0.456 -1.813) 4.413 29.708 ( -4.312 -2.035 1.773) 5.087 37.809 ( 7.934 0.713 -0.028) 7.966 37.838 ( 8.697 0.187 -0.229) 8.702 38.942 ( -4.567 0.161 0.005) 4.570 38.961 ( -4.015 -0.053 0.004) 4.015 69.908 ( 3.752 7.324 -0.511) 8.245 69.936 ( 3.811 7.568 0.641) 8.498 73.793 ( -23.965 24.889 -31.182) 46.542 74.529 ( -32.380 12.753 34.443) 48.964 ======================= Grid point 278 (139/168) ======================= q-point: ( 0.27 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 13.861 5.957 -2.189) 15.245 1.901 ( 0.348 5.723 -4.937) 7.566 2.206 ( 6.606 9.291 -1.891) 11.556 2.622 ( 2.062 2.499 11.552) 11.998 2.686 ( 0.649 1.678 4.876) 5.197 2.952 ( 1.997 -8.661 -1.597) 9.031 3.054 ( 10.162 -2.484 10.316) 14.692 3.255 ( 8.530 2.102 3.151) 9.333 3.465 ( -0.290 2.418 3.244) 4.056 3.704 ( 12.783 6.025 -7.412) 15.958 3.923 ( -2.602 3.180 -1.339) 4.322 4.002 ( -5.351 3.648 -7.427) 9.854 4.302 ( -0.021 5.080 1.031) 5.184 4.737 ( 4.833 6.998 -0.496) 8.519 4.963 ( -2.876 2.928 0.181) 4.108 5.240 ( 4.012 -3.086 4.308) 6.647 5.708 ( 10.669 6.699 -6.103) 13.998 5.849 ( 4.326 19.277 -10.261) 22.262 6.394 ( 5.506 -3.421 0.685) 6.518 6.857 ( 2.147 3.857 3.203) 5.454 7.014 ( -12.224 6.960 -4.833) 14.874 7.277 ( -6.794 5.237 6.905) 11.012 7.707 ( -2.543 -5.961 -1.498) 6.651 7.869 ( 1.594 -6.742 2.793) 7.470 8.502 ( -4.685 2.525 6.564) 8.451 8.660 ( -6.551 2.442 -3.525) 7.830 8.866 ( -0.915 0.161 1.739) 1.971 9.094 ( 7.341 -4.722 -6.382) 10.813 9.236 ( 1.138 0.571 2.219) 2.558 9.982 ( -2.287 -4.455 -1.514) 5.232 10.863 ( 2.384 -1.572 0.081) 2.857 10.991 ( 13.481 -1.744 -5.017) 14.490 11.240 ( 1.220 2.193 3.870) 4.612 11.621 ( -3.759 -0.695 -2.467) 4.549 12.227 ( 6.082 -0.441 -0.964) 6.173 12.369 ( -5.509 2.236 9.214) 10.966 12.582 ( 2.506 -0.835 2.391) 3.563 12.960 ( 4.291 -10.072 -4.228) 11.736 13.969 ( -6.539 -1.530 0.398) 6.728 14.180 ( 5.754 -2.480 -4.229) 7.559 14.494 ( -3.628 3.674 -1.813) 5.472 14.908 ( -10.140 -2.391 1.929) 10.595 17.675 ( 3.254 4.871 1.142) 5.968 17.977 ( 5.206 -1.103 1.464) 5.519 18.147 ( 3.950 3.272 3.602) 6.267 18.583 ( 6.708 -4.769 -7.101) 10.870 21.218 ( 0.250 -0.140 -6.752) 6.758 21.348 ( -11.711 -1.720 7.978) 14.274 21.652 ( -4.284 -4.801 9.370) 11.366 22.367 ( 7.373 -19.515 -14.418) 25.359 25.126 ( -1.381 5.707 1.004) 5.957 25.373 ( 1.136 3.158 3.396) 4.775 25.547 ( -3.710 -0.413 -5.085) 6.308 25.850 ( -4.728 -9.511 0.251) 10.625 29.115 ( 4.358 -0.006 -0.134) 4.360 29.135 ( 3.630 -0.542 0.252) 3.679 29.552 ( -4.424 0.051 -1.956) 4.837 29.637 ( -6.083 -1.113 1.313) 6.321 37.959 ( 10.465 0.860 -0.377) 10.507 38.002 ( 11.032 0.382 0.290) 11.042 38.850 ( -6.692 0.427 -0.049) 6.706 38.878 ( -6.118 0.075 0.065) 6.119 69.971 ( 4.599 7.544 -1.020) 8.894 70.002 ( 3.652 7.956 -0.115) 8.755 73.201 ( -17.614 29.977 -17.739) 39.033 74.198 ( -39.526 14.755 20.548) 46.928 ======================= Grid point 279 (140/168) ======================= q-point: ( 0.36 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 5.368 3.819 7.147) 9.719 1.962 ( 13.220 3.906 1.984) 13.927 2.321 ( 7.218 8.723 1.839) 11.471 2.710 ( -3.195 0.881 4.339) 5.460 2.765 ( 2.088 3.388 9.001) 9.842 2.922 ( -0.348 -1.882 0.838) 2.090 3.313 ( 2.440 -1.725 7.495) 8.068 3.371 ( 1.927 4.637 2.731) 5.716 3.506 ( 0.558 -0.758 0.826) 1.252 3.677 ( -2.126 -3.061 -13.037) 13.560 3.794 ( 2.234 12.063 -3.411) 12.733 4.081 ( 8.934 2.299 3.426) 9.841 4.305 ( -0.604 5.307 -1.208) 5.476 4.858 ( 7.381 1.472 1.808) 7.740 4.915 ( -2.027 6.170 0.002) 6.495 5.333 ( 2.397 -4.409 3.337) 6.026 5.767 ( -0.146 14.253 -11.208) 18.133 5.796 ( 9.059 4.301 -11.966) 15.613 6.493 ( 6.193 2.802 -2.247) 7.159 6.775 ( -10.770 9.324 -2.302) 14.430 6.895 ( -3.342 10.952 5.868) 12.867 7.218 ( -4.348 -0.121 0.842) 4.430 7.640 ( 1.086 -6.927 -3.264) 7.734 7.955 ( 0.757 -7.141 4.834) 8.656 8.499 ( -3.566 2.297 4.562) 6.229 8.551 ( -4.238 2.602 0.454) 4.994 8.886 ( -1.553 -1.933 7.314) 7.723 9.161 ( 5.165 2.035 -0.865) 5.618 9.285 ( 3.062 -3.507 -0.195) 4.660 9.892 ( -1.957 1.645 -8.495) 8.871 10.899 ( -1.411 -4.101 6.128) 7.507 11.147 ( 9.264 -9.327 -4.820) 14.001 11.327 ( 7.818 -0.255 -0.484) 7.837 11.515 ( -4.683 -5.993 -2.165) 7.907 12.338 ( 0.235 2.805 6.747) 7.311 12.392 ( 2.638 1.831 3.382) 4.664 12.653 ( 2.383 -1.552 4.052) 4.950 12.966 ( 2.548 -7.107 -5.637) 9.423 13.843 ( -8.634 -0.684 1.240) 8.749 14.177 ( -0.827 -1.220 -6.113) 6.289 14.467 ( 1.662 1.459 -0.582) 2.287 14.749 ( -8.004 -1.715 -2.020) 8.431 17.778 ( 5.082 4.783 5.348) 8.793 18.092 ( 4.884 -0.987 2.903) 5.767 18.223 ( 0.462 0.703 4.488) 4.566 18.593 ( 5.393 -4.557 -10.266) 12.460 21.178 ( 1.899 -0.179 -4.779) 5.145 21.237 ( -10.351 -1.618 6.740) 12.457 21.682 ( -4.257 -2.725 10.596) 11.740 22.308 ( 5.314 -16.205 -18.009) 24.802 25.138 ( 0.212 4.330 3.507) 5.576 25.427 ( 1.752 1.655 2.859) 3.740 25.456 ( -2.251 0.960 -3.662) 4.404 25.761 ( -5.077 -7.032 -1.535) 8.808 29.195 ( 5.112 -0.246 -0.088) 5.118 29.202 ( 4.421 -0.341 0.332) 4.446 29.460 ( -4.661 0.326 -1.407) 4.880 29.541 ( -6.551 -0.376 0.468) 6.578 38.136 ( 11.383 1.102 -0.359) 11.442 38.193 ( 11.443 0.442 0.416) 11.459 38.725 ( -8.413 0.663 -0.093) 8.439 38.764 ( -7.844 0.128 0.117) 7.845 70.030 ( 4.219 8.129 -1.916) 9.356 70.047 ( 2.045 8.630 -0.387) 8.878 72.891 ( -5.613 30.169 -5.940) 31.257 73.715 ( -34.777 18.273 7.945) 40.081 ======================= Grid point 280 (141/168) ======================= q-point: ( 0.45 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 1.406 0.804 16.086) 16.168 2.244 ( 16.116 -0.597 -2.478) 16.316 2.435 ( 1.496 3.587 3.547) 5.262 2.685 ( -0.846 4.429 0.601) 4.549 2.904 ( 3.947 5.885 8.750) 11.259 2.938 ( -2.954 3.690 6.146) 7.753 3.225 ( -8.813 7.491 -5.331) 12.736 3.359 ( -4.447 -2.828 -5.457) 7.586 3.471 ( 2.774 8.522 2.069) 9.198 3.661 ( 1.433 -5.980 1.844) 6.420 3.871 ( 4.224 4.635 1.447) 6.436 4.122 ( -1.494 6.131 -9.946) 11.779 4.366 ( 4.222 2.121 10.152) 11.198 4.828 ( -0.710 1.890 -9.158) 9.378 5.055 ( 7.138 4.409 8.545) 11.976 5.378 ( -0.429 -3.628 1.483) 3.943 5.607 ( -6.344 7.817 -8.311) 13.055 5.771 ( 4.433 2.744 -14.405) 15.320 6.559 ( 5.831 11.751 -2.914) 13.437 6.625 ( -7.049 12.700 -0.152) 14.526 6.910 ( -0.662 5.331 6.854) 8.709 7.132 ( -3.893 -2.666 -4.483) 6.509 7.718 ( 6.401 -5.302 3.754) 9.120 7.947 ( -3.789 -6.689 -1.219) 7.783 8.477 ( -1.161 2.055 1.287) 2.689 8.521 ( -1.413 2.214 0.752) 2.732 8.959 ( -3.120 -2.796 13.997) 14.610 9.242 ( 5.144 -0.114 -1.590) 5.385 9.327 ( 1.033 -0.155 3.109) 3.280 9.763 ( 0.433 5.424 -14.471) 15.460 10.938 ( -4.073 -7.106 10.305) 13.164 11.191 ( 3.981 -10.643 -6.341) 13.013 11.406 ( -2.505 -4.439 2.208) 5.555 11.497 ( 9.789 -6.803 -7.387) 14.024 12.355 ( -7.752 2.453 12.020) 14.512 12.491 ( 5.819 0.783 -1.604) 6.086 12.737 ( 1.075 -0.419 5.627) 5.744 12.933 ( 1.142 -4.616 -6.702) 8.217 13.761 ( -3.104 -0.656 4.102) 5.186 14.054 ( -2.924 -1.080 -9.411) 9.913 14.508 ( 2.060 0.070 1.159) 2.365 14.629 ( -3.515 -1.101 -3.137) 4.839 17.931 ( 5.405 3.985 7.265) 9.893 18.144 ( -0.607 2.422 -1.261) 2.797 18.266 ( -2.626 -3.017 8.443) 9.343 18.567 ( 5.189 -5.084 -12.207) 14.205 21.136 ( -9.028 -0.777 7.071) 11.494 21.198 ( 5.220 -0.465 -4.798) 7.105 21.725 ( -4.822 -2.735 13.120) 14.242 22.197 ( 4.145 -12.210 -19.119) 23.061 25.197 ( 1.229 3.136 5.315) 6.292 25.384 ( -1.774 2.167 -4.183) 5.034 25.497 ( 2.906 -1.188 3.340) 4.583 25.663 ( -3.671 -4.526 -3.109) 6.605 29.264 ( 3.349 -0.206 0.388) 3.378 29.291 ( 4.921 -0.367 -0.137) 4.937 29.379 ( -3.308 0.471 -0.311) 3.356 29.439 ( -5.594 -0.044 -0.440) 5.612 38.310 ( 9.333 1.285 -0.064) 9.422 38.359 ( 6.545 0.743 0.048) 6.588 38.592 ( -5.876 0.639 0.114) 5.912 38.633 ( -7.540 -0.012 -0.013) 7.540 70.055 ( -0.214 9.273 -0.248) 9.279 70.070 ( 2.393 8.809 -1.927) 9.330 72.901 ( 9.222 27.034 1.755) 28.617 73.268 ( -23.375 21.949 -0.312) 32.067 ======================= Grid point 281 (142/168) ======================= q-point: (-0.45 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -7.319 1.304 10.738) 13.060 2.294 ( -0.802 -3.012 -8.893) 9.423 2.506 ( -0.924 0.152 4.084) 4.190 2.647 ( 2.481 5.423 -8.683) 10.534 2.917 ( -4.000 17.218 9.460) 20.049 3.058 ( -9.470 2.476 4.567) 10.802 3.122 ( 10.628 7.339 3.576) 13.402 3.253 ( -0.257 -3.748 -8.500) 9.293 3.545 ( -5.781 -0.186 5.683) 8.109 3.681 ( 5.868 1.032 0.174) 5.961 3.916 ( -2.462 4.787 0.976) 5.471 3.989 ( -0.125 7.609 -6.246) 9.846 4.516 ( -2.653 -0.674 11.092) 11.425 4.705 ( 1.933 1.055 -13.308) 13.489 5.237 ( 0.305 3.190 6.431) 7.185 5.287 ( -2.839 4.106 -7.050) 8.638 5.494 ( -6.155 1.813 7.453) 9.834 5.707 ( 4.629 1.744 -10.991) 12.053 6.500 ( -8.091 10.465 1.994) 13.378 6.655 ( 7.845 15.042 -2.394) 17.133 7.004 ( 1.740 -1.651 3.385) 4.149 7.048 ( 2.437 1.663 -2.661) 3.973 7.757 ( -10.124 -6.154 2.232) 12.056 7.923 ( 6.689 -5.261 -1.127) 8.585 8.505 ( 3.012 1.671 1.074) 3.608 8.519 ( 2.065 1.938 -1.701) 3.304 9.031 ( -5.483 -3.476 13.553) 15.028 9.241 ( 1.936 -7.469 -9.857) 12.518 9.409 ( -1.903 8.941 11.385) 14.601 9.642 ( 5.007 6.553 -16.216) 18.193 10.957 ( -7.018 -9.541 11.175) 16.284 11.184 ( 4.743 -7.983 -8.437) 12.546 11.364 ( -5.433 -4.257 3.375) 7.683 11.566 ( 8.130 -8.375 -10.079) 15.422 12.328 ( -10.001 3.188 11.558) 15.613 12.543 ( 3.424 -0.503 -2.646) 4.356 12.736 ( -8.180 -0.677 5.349) 9.797 12.913 ( 4.223 -3.650 -5.451) 7.801 13.838 ( 4.541 -1.458 6.778) 8.288 13.955 ( 4.297 -1.989 -10.119) 11.172 14.510 ( -4.540 0.856 1.659) 4.909 14.598 ( 3.408 -1.024 -1.254) 3.773 18.057 ( -4.147 3.163 -2.519) 5.792 18.081 ( 2.990 3.002 3.312) 5.378 18.293 ( -5.749 -2.262 10.963) 12.584 18.517 ( 3.599 -6.176 -12.845) 14.700 21.072 ( -6.785 0.410 6.431) 9.357 21.264 ( 7.924 -1.970 -4.188) 9.176 21.788 ( -5.392 -4.129 16.442) 17.789 22.077 ( 3.758 -8.957 -17.844) 20.317 25.267 ( -0.216 2.899 4.755) 5.574 25.313 ( -1.071 2.494 -3.382) 4.337 25.577 ( -0.088 -3.135 -1.753) 3.592 25.601 ( 3.723 -3.061 0.385) 4.835 29.272 ( -4.197 -0.316 -0.391) 4.227 29.282 ( -3.455 0.012 0.647) 3.515 29.385 ( 1.602 0.264 -0.816) 1.818 29.428 ( 6.417 0.102 0.467) 6.435 38.312 ( -9.606 1.263 -0.201) 9.691 38.357 ( -5.997 0.732 0.163) 6.044 38.596 ( 5.449 0.333 -0.160) 5.462 38.630 ( 7.800 0.245 0.180) 7.806 70.032 ( -2.770 9.570 0.864) 10.000 70.074 ( 0.160 9.018 -1.559) 9.153 72.964 ( -10.715 26.290 -3.609) 28.618 73.219 ( 25.411 22.645 3.971) 34.268 ======================= Grid point 282 (143/168) ======================= q-point: (-0.36 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -14.182 6.398 -2.373) 15.738 2.133 ( -7.521 4.969 -9.550) 13.132 2.379 ( -7.980 4.617 -4.331) 10.186 2.707 ( 2.720 0.147 1.714) 3.218 2.937 ( -7.875 -1.270 1.016) 8.041 2.956 ( 1.183 10.770 -2.274) 11.071 3.160 ( -7.735 6.229 6.345) 11.785 3.356 ( 7.375 1.541 11.709) 13.924 3.473 ( -0.962 0.661 -2.584) 2.835 3.739 ( 0.512 -3.571 -9.830) 10.471 3.802 ( -4.664 10.039 -2.259) 11.298 4.047 ( 1.518 2.624 6.232) 6.930 4.405 ( -6.338 0.612 -7.956) 10.191 4.732 ( 1.304 -2.996 5.588) 6.473 5.056 ( -5.692 7.770 -9.712) 13.678 5.344 ( -1.581 1.509 3.940) 4.505 5.495 ( -4.566 6.918 10.197) 13.141 5.702 ( 1.302 4.363 -2.316) 5.109 6.411 ( -5.796 2.903 3.737) 7.482 6.772 ( 9.226 10.973 -1.535) 14.418 6.997 ( 1.231 3.765 -2.602) 4.739 7.185 ( 8.827 1.833 2.156) 9.269 7.596 ( -8.064 -7.163 1.165) 10.848 8.005 ( 2.493 -6.237 -0.075) 6.717 8.557 ( 5.037 1.967 -2.561) 5.983 8.580 ( 5.027 1.681 -0.254) 5.307 9.032 ( -7.672 -3.530 7.780) 11.483 9.133 ( -2.498 -6.669 -9.967) 12.250 9.397 ( -2.592 9.623 -4.068) 10.765 9.682 ( 6.860 5.483 2.479) 9.125 10.921 ( -8.988 -8.352 7.946) 14.618 11.158 ( 0.515 -4.261 -7.860) 8.956 11.324 ( -0.499 -2.766 0.378) 2.836 11.570 ( 3.517 -6.989 -7.189) 10.626 12.252 ( -11.472 3.763 8.851) 14.970 12.549 ( 1.766 1.377 -5.496) 5.935 12.653 ( -7.183 -5.920 6.864) 11.565 12.919 ( 1.553 -4.171 -3.864) 5.894 13.937 ( 5.672 -3.635 -2.920) 7.343 14.044 ( 8.204 -1.607 1.417) 8.479 14.445 ( -3.938 2.117 1.212) 4.632 14.690 ( 7.292 -0.785 2.656) 7.801 17.909 ( -6.492 4.214 -5.747) 9.640 18.122 ( -2.597 1.389 0.205) 2.952 18.327 ( -3.142 -1.263 11.166) 11.668 18.421 ( -0.958 -5.665 -10.681) 12.128 21.045 ( -4.138 0.980 6.196) 7.515 21.367 ( 9.325 -4.049 -3.716) 10.824 21.873 ( -5.850 -6.783 18.945) 20.956 21.972 ( 3.383 -6.971 -15.021) 16.902 25.219 ( -2.556 3.759 -2.988) 5.440 25.353 ( 1.696 3.420 4.345) 5.784 25.526 ( 0.012 -1.866 -5.071) 5.403 25.717 ( 6.303 -6.078 2.248) 9.041 29.194 ( -5.050 -0.189 -0.011) 5.054 29.207 ( -4.577 -0.326 -0.110) 4.590 29.438 ( 3.907 0.752 0.414) 4.000 29.544 ( 7.073 -0.206 0.154) 7.077 38.131 ( -11.550 1.210 0.057) 11.613 38.201 ( -11.179 0.123 -0.219) 11.182 38.723 ( 8.368 0.520 0.001) 8.384 38.765 ( 7.860 0.274 0.011) 7.865 69.987 ( -4.078 9.264 1.597) 10.247 70.046 ( -2.147 8.688 -0.480) 8.962 72.849 ( 0.313 31.276 -2.071) 31.346 73.795 ( 41.075 17.571 1.034) 44.688 ======================= Grid point 283 (144/168) ======================= q-point: (-0.27 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -13.683 11.733 -5.603) 18.875 1.934 ( -5.060 10.638 -6.731) 13.568 2.200 ( -9.383 8.397 -2.579) 12.853 2.649 ( -11.904 -0.541 1.525) 12.014 2.868 ( -1.079 -2.257 1.698) 3.023 2.917 ( -0.642 1.600 -3.681) 4.064 3.121 ( -9.212 6.755 6.896) 13.344 3.414 ( -5.852 -1.591 -6.661) 9.008 3.457 ( -7.086 2.177 5.748) 9.380 3.707 ( 5.657 -3.482 -9.724) 11.776 3.726 ( 1.687 9.155 5.156) 10.642 4.018 ( -3.296 2.322 -3.059) 5.061 4.330 ( 1.857 0.942 -1.423) 2.522 4.749 ( -4.819 -2.563 1.897) 5.779 4.951 ( 1.191 9.360 -2.290) 9.710 5.307 ( -3.817 0.468 -0.943) 3.960 5.522 ( -5.843 7.221 10.333) 13.895 5.680 ( -2.917 14.008 2.238) 14.482 6.371 ( -4.184 -4.499 3.081) 6.873 6.913 ( 0.831 -0.070 -0.361) 0.908 6.977 ( 7.334 9.320 -2.722) 12.168 7.346 ( 9.127 4.020 -0.643) 9.994 7.591 ( 3.050 -5.796 6.310) 9.094 7.989 ( -2.052 -6.320 -4.077) 7.796 8.626 ( 6.318 2.218 -2.806) 7.260 8.652 ( 5.371 1.900 -2.162) 6.093 8.938 ( -6.493 -3.182 -1.596) 7.405 8.995 ( -6.576 -3.643 -1.319) 7.632 9.320 ( -0.366 7.256 -5.322) 9.006 9.834 ( 3.742 1.513 8.439) 9.355 10.822 ( -10.270 -3.083 4.543) 11.646 11.064 ( -0.204 -0.942 -9.471) 9.520 11.324 ( 0.845 -0.952 -3.608) 3.826 11.570 ( 0.406 -0.741 1.354) 1.596 12.155 ( -7.520 1.429 5.151) 9.226 12.500 ( -2.055 0.906 -2.241) 3.173 12.641 ( -0.603 -7.146 1.027) 7.245 12.885 ( -2.508 -6.709 -1.119) 7.249 13.988 ( 0.719 -3.892 0.768) 4.032 14.134 ( 3.618 -2.645 -2.410) 5.089 14.437 ( 0.827 4.433 2.814) 5.316 14.894 ( 13.059 -2.210 3.187) 13.623 17.753 ( -5.389 4.790 -5.115) 8.840 18.028 ( -6.571 0.597 -2.163) 6.943 18.267 ( -4.261 -2.328 -8.625) 9.898 18.399 ( -2.964 -1.335 9.569) 10.107 21.060 ( -1.820 0.968 6.703) 7.013 21.489 ( 9.563 -6.052 -3.093) 11.732 21.886 ( 2.808 -6.295 -12.292) 14.093 21.965 ( -6.716 -10.581 19.624) 23.285 25.163 ( -0.914 5.262 -2.009) 5.706 25.430 ( 2.555 3.899 3.606) 5.893 25.479 ( 0.346 -1.218 -4.405) 4.583 25.837 ( 5.910 -8.828 1.269) 10.699 29.114 ( -4.446 0.043 -0.025) 4.447 29.140 ( -3.604 -0.700 -0.139) 3.674 29.510 ( 3.544 0.914 1.550) 3.974 29.657 ( 6.751 -0.828 -0.419) 6.815 37.950 ( -10.540 1.004 0.324) 10.592 38.012 ( -11.001 0.054 -0.517) 11.013 38.849 ( 6.734 0.332 0.056) 6.743 38.880 ( 6.065 0.179 -0.053) 6.068 69.935 ( -4.325 8.508 1.834) 9.718 69.999 ( -3.401 8.003 0.179) 8.697 72.938 ( 8.642 35.423 5.530) 36.879 74.537 ( 52.056 10.275 -8.752) 53.778 ======================= Grid point 284 (145/168) ======================= q-point: (-0.18 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -8.472 15.684 -4.210) 18.316 1.825 ( -5.880 11.488 -0.145) 12.906 2.022 ( -12.171 9.607 0.996) 15.538 2.478 ( -10.249 0.668 6.930) 12.390 2.812 ( -12.135 -6.519 -1.312) 13.837 2.887 ( -0.763 -0.660 -5.914) 5.999 2.961 ( -3.295 5.664 -0.230) 6.557 3.246 ( -3.970 -2.333 -11.525) 12.411 3.344 ( -12.602 5.157 7.085) 15.350 3.589 ( -0.457 0.190 -8.848) 8.862 3.918 ( 4.660 1.134 6.756) 8.285 4.044 ( 5.860 4.078 2.873) 7.696 4.361 ( 4.362 0.558 -1.969) 4.819 4.673 ( -3.420 4.808 -0.152) 5.902 4.991 ( 2.262 5.708 1.802) 6.398 5.217 ( -4.237 1.292 -3.182) 5.454 5.486 ( -7.187 3.506 5.507) 9.710 5.689 ( -2.377 22.889 6.972) 24.045 6.318 ( -3.812 -7.993 0.022) 8.855 6.819 ( -5.051 -0.512 -1.165) 5.209 7.172 ( 10.947 4.514 0.708) 11.862 7.437 ( 4.130 -0.730 -3.228) 5.293 7.746 ( 5.194 -1.470 2.828) 6.094 7.885 ( -1.541 -2.919 -4.398) 5.499 8.675 ( 4.690 1.435 -6.881) 8.450 8.732 ( 5.288 3.440 0.111) 6.310 8.860 ( -3.765 -1.266 5.365) 6.675 8.899 ( -3.554 -3.139 0.308) 4.751 9.283 ( 1.535 4.363 -3.688) 5.916 9.937 ( -1.790 -5.731 7.327) 9.473 10.708 ( -6.129 3.717 1.653) 7.356 10.976 ( 0.921 -1.014 -9.486) 9.585 11.278 ( -1.372 6.165 -3.300) 7.126 11.573 ( -5.157 7.531 4.731) 10.281 12.153 ( 2.496 -2.958 3.647) 5.318 12.452 ( -2.556 -1.409 0.697) 3.001 12.617 ( 0.413 -2.846 -6.312) 6.936 12.827 ( -5.696 -11.973 3.527) 13.720 13.971 ( -4.717 -3.072 4.258) 7.058 14.152 ( 3.359 -2.129 -5.137) 6.497 14.514 ( 3.729 4.106 4.546) 7.171 15.117 ( 11.564 -4.536 -2.359) 12.644 17.650 ( -2.150 5.224 -2.487) 6.172 17.907 ( -4.806 0.676 -0.745) 4.910 18.116 ( -5.996 2.294 -4.469) 7.822 18.414 ( -4.439 -2.062 5.045) 7.029 21.116 ( -0.157 0.639 7.707) 7.735 21.611 ( 8.874 -5.566 -3.990) 11.210 21.820 ( 1.018 -9.278 -6.242) 11.228 22.031 ( -6.832 -13.600 15.506) 21.727 25.151 ( 0.592 6.485 -0.228) 6.516 25.418 ( -0.088 3.033 -5.576) 6.348 25.545 ( 4.084 -0.880 5.766) 7.120 25.926 ( 4.144 -11.008 -0.122) 11.763 29.053 ( -3.029 0.130 0.134) 3.035 29.086 ( -2.671 -0.747 -0.272) 2.787 29.583 ( 2.788 0.561 2.683) 3.909 29.749 ( 5.392 -1.930 -1.417) 5.899 37.801 ( -7.963 0.719 0.487) 8.010 37.842 ( -8.786 0.274 -0.491) 8.804 38.942 ( 4.588 0.103 0.038) 4.590 38.962 ( 3.983 0.014 -0.038) 3.983 69.884 ( -3.777 7.825 1.469) 8.812 69.943 ( -3.478 7.369 0.100) 8.149 73.239 ( 13.485 35.771 18.074) 42.286 75.224 ( 49.344 0.845 -26.119) 55.836 ======================= Grid point 285 (146/168) ======================= q-point: (-0.09 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -1.239 17.072 2.211) 17.259 1.719 ( -5.414 9.260 -1.127) 10.786 1.820 ( -13.500 8.263 5.040) 16.611 2.453 ( -13.566 -2.922 -4.483) 14.583 2.521 ( 0.338 1.127 1.542) 1.940 2.862 ( 1.749 4.545 -2.413) 5.435 2.962 ( -7.068 -9.917 2.642) 12.462 3.026 ( -4.621 2.111 -6.038) 7.891 3.280 ( -3.609 5.195 5.513) 8.391 3.528 ( 1.740 1.174 -6.836) 7.151 3.976 ( 1.903 4.784 -2.348) 5.659 4.158 ( 1.902 0.694 -0.155) 2.031 4.466 ( 8.084 3.119 3.949) 9.522 4.674 ( 0.175 4.060 5.736) 7.030 5.032 ( 0.758 3.702 0.436) 3.804 5.121 ( -2.448 2.459 -4.488) 5.673 5.440 ( -4.009 6.281 5.307) 9.148 5.691 ( -4.043 22.385 2.731) 22.911 6.289 ( -0.673 -7.894 3.765) 8.771 6.748 ( -2.773 -0.800 -1.730) 3.365 7.274 ( 2.493 2.315 -3.092) 4.597 7.405 ( -0.905 -3.975 -9.653) 10.479 7.748 ( 1.292 0.196 2.302) 2.647 7.954 ( 4.244 -1.748 1.589) 4.857 8.675 ( 3.131 2.423 -4.282) 5.832 8.733 ( -5.094 2.445 1.380) 5.816 8.916 ( 4.091 -0.200 -0.991) 4.214 8.927 ( 2.209 -0.461 6.412) 6.798 9.325 ( 6.890 -0.577 0.534) 6.934 9.891 ( -9.209 -10.298 1.264) 13.873 10.680 ( 0.691 5.700 1.362) 5.901 10.904 ( 0.899 -0.193 -8.228) 8.280 11.247 ( 0.162 13.171 0.495) 13.182 11.488 ( -8.249 11.688 1.459) 14.380 12.266 ( 4.125 0.999 3.949) 5.797 12.448 ( 0.185 -4.897 2.785) 5.636 12.548 ( 0.748 -1.567 -6.266) 6.503 12.765 ( -6.401 -16.362 2.924) 17.811 13.952 ( -2.932 -1.981 5.210) 6.298 14.140 ( 1.872 -1.258 -5.656) 6.089 14.641 ( 4.602 1.797 7.097) 8.648 15.176 ( 2.485 -5.327 -9.519) 11.187 17.640 ( 1.813 5.776 0.922) 6.124 17.884 ( -0.601 4.096 1.407) 4.373 18.003 ( -1.884 1.112 -0.832) 2.341 18.349 ( -6.644 -2.462 0.377) 7.095 21.203 ( 0.637 0.373 8.795) 8.825 21.635 ( 2.624 -0.677 -10.959) 11.289 21.850 ( 0.935 -17.093 8.201) 18.982 22.047 ( -3.622 -14.340 5.995) 15.959 25.172 ( 1.115 7.251 1.456) 7.480 25.356 ( -0.857 5.121 -5.197) 7.346 25.682 ( 4.744 -5.427 6.618) 9.785 25.963 ( 1.351 -12.145 -1.965) 12.377 29.019 ( -1.398 0.134 0.381) 1.455 29.048 ( -1.538 -0.584 -0.482) 1.714 29.651 ( 1.593 -0.278 3.647) 3.989 29.797 ( 2.810 -2.809 -2.682) 4.793 37.705 ( -4.250 0.416 0.533) 4.303 37.725 ( -4.798 0.428 -0.304) 4.826 38.999 ( 2.411 -0.085 0.018) 2.412 39.009 ( 1.849 -0.115 -0.017) 1.853 69.846 ( -2.301 7.633 1.173) 8.058 69.892 ( -2.452 7.078 -0.335) 7.499 73.708 ( 12.354 30.763 31.508) 45.736 75.517 ( 26.831 -3.547 -44.199) 51.828 ======================= Grid point 286 (147/168) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 4.784 15.815 2.223) 16.671 1.809 ( -0.177 10.020 -3.706) 10.685 1.949 ( 6.255 8.263 4.666) 11.366 2.134 ( -8.396 1.144 -11.081) 13.949 2.489 ( -9.045 -11.772 2.809) 15.109 2.559 ( 4.952 -15.365 -3.775) 16.579 2.954 ( 2.104 2.432 0.755) 3.303 2.998 ( 0.118 1.558 -2.909) 3.302 3.433 ( -3.125 6.215 7.328) 10.104 3.554 ( 3.873 0.519 -3.030) 4.944 4.104 ( 2.851 3.670 0.810) 4.717 4.145 ( -2.453 1.961 -2.742) 4.169 4.671 ( 1.415 1.503 9.624) 9.843 4.754 ( 0.682 0.265 4.208) 4.271 5.003 ( -2.104 -0.914 -2.669) 3.519 5.059 ( 0.014 -1.937 -6.770) 7.042 5.738 ( 2.725 12.121 9.011) 15.347 5.925 ( -2.980 9.005 -7.665) 12.196 6.351 ( 1.213 3.965 15.265) 15.819 6.637 ( -1.149 -2.480 -8.061) 8.512 7.230 ( -2.604 -1.018 -1.457) 3.153 7.255 ( 1.060 -2.033 -4.402) 4.964 7.812 ( 0.581 -0.195 3.502) 3.556 7.917 ( -0.647 -3.680 -4.661) 5.974 8.699 ( -2.923 1.343 1.292) 3.466 8.728 ( 2.544 0.048 -1.181) 2.805 8.987 ( 2.048 1.420 1.398) 2.857 9.011 ( 1.291 1.458 -0.140) 1.953 9.434 ( 5.808 -2.452 2.993) 6.978 9.531 ( -8.053 -6.446 -4.506) 11.256 10.788 ( 2.859 1.917 -1.145) 3.628 10.840 ( 2.139 -0.884 -5.816) 6.259 11.594 ( -6.598 16.707 5.560) 18.803 11.689 ( 5.148 16.698 -3.358) 17.793 12.284 ( -4.851 -16.357 2.883) 17.303 12.328 ( 4.377 -15.566 -0.606) 16.181 12.437 ( -3.162 4.570 6.242) 8.357 12.526 ( 0.145 0.577 -1.163) 1.306 13.976 ( 1.167 1.069 2.922) 3.323 14.071 ( 1.904 -2.510 -5.248) 6.121 14.795 ( 1.321 0.886 6.303) 6.501 14.941 ( -3.893 -5.529 -6.734) 9.543 17.844 ( 5.257 6.124 4.130) 9.066 17.942 ( -4.629 6.377 -4.129) 8.896 18.048 ( 7.167 -3.923 4.721) 9.436 18.154 ( -6.236 -3.813 -4.509) 8.588 21.336 ( -0.137 2.974 9.304) 9.768 21.529 ( -2.717 -1.338 -4.230) 5.203 21.635 ( -5.331 -7.269 7.072) 11.457 21.829 ( 7.215 -11.614 -6.694) 15.223 25.338 ( 0.436 5.726 2.517) 6.269 25.398 ( -0.587 4.124 -2.742) 4.987 25.664 ( 1.305 -5.456 3.278) 6.498 25.735 ( -0.834 -7.930 -2.924) 8.493 29.015 ( 0.106 0.070 0.327) 0.351 29.022 ( -0.070 -0.281 -0.272) 0.397 29.693 ( -0.214 0.269 2.220) 2.247 29.743 ( 0.061 -2.035 -2.135) 2.950 37.680 ( -0.123 0.373 0.380) 0.547 37.688 ( 0.154 0.032 -0.329) 0.365 39.017 ( -0.079 -0.059 0.146) 0.176 39.021 ( 0.078 -0.128 -0.146) 0.209 69.963 ( 0.044 4.716 0.859) 4.794 69.975 ( -0.408 4.124 -0.192) 4.149 74.619 ( 1.406 19.203 21.785) 29.074 75.174 ( -1.268 -7.797 -27.496) 28.608 ======================= Grid point 287 (148/168) ======================= q-point: ( 0.09 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -3.245 12.662 -7.863) 15.254 1.922 ( 14.851 13.549 -1.282) 20.144 2.035 ( 7.926 0.859 -3.160) 8.576 2.160 ( 7.940 2.146 8.174) 11.596 2.349 ( -3.096 -12.285 2.790) 12.972 2.652 ( 2.124 -10.359 2.556) 10.879 3.016 ( 4.648 1.122 -1.281) 4.950 3.058 ( 8.857 2.211 -2.493) 9.463 3.446 ( -1.734 5.450 5.668) 8.052 3.574 ( 3.989 1.178 -6.238) 7.498 4.049 ( -4.648 4.111 -1.193) 6.318 4.131 ( -1.535 0.586 1.076) 1.964 4.676 ( -5.769 4.332 -0.947) 7.276 4.798 ( 1.589 -0.353 -1.700) 2.354 4.985 ( -0.325 -0.869 4.264) 4.363 5.031 ( 2.026 -2.828 -1.734) 3.887 5.832 ( 1.658 12.018 -8.204) 14.645 5.903 ( 6.141 9.640 9.225) 14.688 6.462 ( -2.987 1.372 -2.253) 3.985 6.580 ( 4.533 -1.508 2.891) 5.584 7.215 ( 0.768 0.328 1.673) 1.870 7.272 ( 3.588 0.686 0.066) 3.654 7.806 ( -5.626 -1.656 -1.462) 6.044 7.849 ( -2.461 -4.724 1.230) 5.466 8.660 ( -3.723 2.999 1.380) 4.976 8.764 ( 3.119 -2.047 -0.995) 3.861 8.966 ( -2.989 1.708 -2.793) 4.434 9.010 ( -0.867 -0.054 -1.955) 2.139 9.367 ( -5.269 0.951 -2.249) 5.808 9.603 ( 7.083 -9.029 5.643) 12.788 10.817 ( 3.712 1.514 -4.454) 5.993 10.844 ( 4.348 -0.342 -3.792) 5.779 11.476 ( -9.686 14.459 3.330) 17.720 11.803 ( 6.318 15.773 -0.906) 17.016 12.124 ( -8.924 -14.239 0.846) 16.826 12.432 ( -2.763 -0.657 6.561) 7.150 12.481 ( 4.455 -5.297 -0.474) 6.937 12.548 ( 5.570 -4.704 -1.135) 7.378 14.016 ( 0.815 0.073 0.369) 0.898 14.052 ( 3.006 -1.443 -5.181) 6.161 14.794 ( -5.887 0.087 -2.751) 6.499 14.886 ( -0.358 -4.138 6.581) 7.782 17.824 ( -3.377 5.916 -4.746) 8.302 17.970 ( 1.658 3.804 0.764) 4.220 18.022 ( 0.033 0.007 -1.431) 1.431 18.238 ( 9.284 -5.668 3.156) 11.326 21.376 ( -4.297 0.560 2.529) 5.017 21.489 ( 1.773 2.332 1.391) 3.243 21.558 ( -9.658 -5.169 4.215) 11.737 21.911 ( 9.286 -14.892 -6.157) 18.598 25.337 ( -2.431 5.669 -0.709) 6.208 25.381 ( 0.295 4.164 0.870) 4.264 25.678 ( -2.081 -5.679 -3.404) 6.941 25.706 ( -0.049 -7.380 2.769) 7.882 29.028 ( 1.318 0.007 -0.167) 1.329 29.033 ( 1.583 -0.207 0.114) 1.600 29.693 ( -2.381 -0.341 1.151) 2.667 29.711 ( -1.584 -1.325 -0.913) 2.258 37.718 ( 4.346 0.469 0.177) 4.375 37.728 ( 4.894 -0.045 -0.217) 4.899 38.999 ( -2.207 0.073 0.075) 2.210 39.006 ( -1.831 -0.187 -0.073) 1.842 69.985 ( 1.884 4.528 -0.114) 4.905 69.992 ( 2.396 4.270 0.714) 4.948 74.754 ( -13.138 7.254 22.803) 27.299 74.760 ( -16.018 6.917 -23.537) 29.298 ======================= Grid point 288 (149/168) ======================= q-point: ( 0.18 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.706 10.728 -2.159) 10.966 2.020 ( -1.564 -1.848 -3.201) 4.013 2.206 ( 10.864 8.261 4.411) 14.343 2.371 ( 14.951 -1.584 0.614) 15.047 2.546 ( 15.615 -4.843 4.071) 16.848 2.701 ( 0.059 -4.392 6.113) 7.527 3.022 ( -2.232 3.233 0.152) 3.931 3.165 ( 4.343 1.029 1.209) 4.624 3.520 ( 3.548 4.540 0.044) 5.763 3.602 ( 9.743 2.567 -4.839) 11.177 4.001 ( -1.603 0.638 -0.235) 1.741 4.080 ( -4.262 -3.237 0.739) 5.403 4.541 ( -4.322 8.750 -6.137) 11.528 4.775 ( 0.995 -1.021 -4.965) 5.166 5.028 ( -1.181 0.554 3.734) 3.956 5.078 ( 1.709 -3.243 4.721) 5.977 5.823 ( 7.291 12.351 -8.555) 16.700 6.119 ( 9.202 6.894 8.629) 14.376 6.322 ( -1.865 4.276 -13.148) 13.951 6.718 ( 4.048 -5.358 5.654) 8.779 7.253 ( 0.144 3.501 0.514) 3.541 7.356 ( 3.628 4.284 3.870) 6.818 7.696 ( -5.251 -1.164 1.411) 5.561 7.789 ( -6.937 -5.916 0.625) 9.138 8.604 ( -4.970 3.745 2.302) 6.635 8.795 ( -1.498 -5.075 -0.242) 5.297 8.871 ( -1.517 2.141 -3.717) 4.550 8.948 ( -0.625 -3.099 -4.948) 5.872 9.332 ( -0.146 8.164 2.635) 8.580 9.754 ( 4.158 -11.327 5.654) 13.325 10.842 ( 5.476 1.563 -5.983) 8.260 10.880 ( 4.646 -0.812 -3.634) 5.955 11.369 ( -7.044 10.146 3.064) 12.726 11.752 ( -9.982 -1.664 -1.552) 10.238 12.129 ( 7.776 2.850 0.246) 8.286 12.435 ( -4.748 3.236 7.280) 9.274 12.517 ( 1.639 -1.972 0.089) 2.566 12.658 ( 7.431 -11.885 -1.523) 14.099 14.006 ( 0.351 -0.394 -3.075) 3.120 14.072 ( 4.177 -2.628 -3.944) 6.317 14.682 ( -5.542 4.553 -0.755) 7.212 14.909 ( -5.155 -5.916 5.773) 9.741 17.755 ( -0.077 5.225 -2.659) 5.863 17.910 ( -0.256 -2.193 -2.817) 3.579 18.138 ( 5.719 6.421 3.270) 9.199 18.394 ( 7.617 -6.098 -0.136) 9.758 21.301 ( -3.407 0.953 -2.603) 4.392 21.429 ( -9.949 -4.385 3.236) 11.344 21.562 ( 1.426 3.460 5.313) 6.499 21.987 ( 7.923 -16.114 -7.280) 19.376 25.281 ( -2.872 5.791 -0.884) 6.524 25.393 ( -0.638 1.880 1.746) 2.644 25.608 ( -2.162 -2.256 -3.088) 4.393 25.715 ( -1.523 -7.542 1.604) 7.859 29.060 ( 2.803 0.123 -0.213) 2.814 29.070 ( 2.800 -0.403 0.103) 2.830 29.639 ( -3.548 0.284 -1.164) 3.745 29.674 ( -3.727 -1.448 1.391) 4.233 37.822 ( 8.214 0.682 -0.107) 8.243 37.839 ( 8.669 -0.085 0.021) 8.670 38.947 ( -4.271 0.291 0.023) 4.281 38.958 ( -3.932 -0.213 -0.016) 3.938 70.030 ( 3.751 4.777 -0.239) 6.079 70.052 ( 3.893 3.944 0.510) 5.566 74.231 ( -21.889 19.250 -17.126) 33.808 74.646 ( -25.960 -0.404 19.626) 32.546 ======================= Grid point 289 (150/168) ======================= q-point: ( 0.27 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 7.101 7.750 4.159) 11.304 1.947 ( -3.781 -1.323 0.842) 4.093 2.390 ( 7.900 9.337 0.650) 12.248 2.595 ( 10.767 -1.716 -0.027) 10.903 2.734 ( 1.130 -0.686 8.094) 8.201 2.799 ( 3.503 -6.505 1.880) 7.623 3.079 ( 5.460 5.618 10.973) 13.482 3.281 ( 6.034 -0.317 6.241) 8.687 3.512 ( -0.715 2.929 -3.100) 4.324 3.716 ( 4.919 -4.292 -9.407) 11.450 3.975 ( 2.416 2.866 1.918) 4.211 4.052 ( 0.048 0.525 -2.247) 2.308 4.457 ( 0.654 10.053 -4.597) 11.074 4.763 ( 3.585 -2.987 -4.362) 6.388 5.026 ( -2.242 2.756 2.815) 4.533 5.158 ( 1.191 -4.697 5.869) 7.611 5.878 ( 9.793 10.103 -10.439) 17.519 6.154 ( -1.810 5.382 -14.873) 15.920 6.359 ( 11.085 5.213 5.360) 13.371 6.810 ( 2.859 -8.393 1.549) 9.001 7.188 ( -5.370 11.798 -2.387) 13.180 7.431 ( -0.927 8.212 3.808) 9.099 7.609 ( -8.599 -4.562 -2.991) 10.184 7.733 ( 0.780 -7.015 5.698) 9.071 8.561 ( -4.025 3.650 4.450) 7.023 8.684 ( -6.361 -0.305 -2.117) 6.711 8.863 ( -0.907 -0.292 0.017) 0.953 8.955 ( 6.177 -6.777 -2.406) 9.480 9.376 ( 0.188 11.197 5.029) 12.276 9.847 ( 1.257 -9.385 4.043) 10.296 10.853 ( 1.658 0.505 -3.761) 4.141 10.936 ( 7.339 -3.178 -5.722) 9.833 11.309 ( -3.091 4.636 1.941) 5.901 11.555 ( -10.351 -5.953 -1.781) 12.073 12.287 ( 10.456 6.715 -0.522) 12.438 12.428 ( -5.735 3.443 8.753) 11.016 12.552 ( 1.532 -2.156 2.005) 3.319 12.748 ( 5.993 -11.270 -2.255) 12.962 13.961 ( -2.513 1.016 -3.135) 4.145 14.101 ( 4.657 -4.936 -5.560) 8.773 14.594 ( -4.678 6.059 0.046) 7.655 14.831 ( -8.538 -5.174 1.959) 10.174 17.774 ( 3.195 5.063 1.231) 6.112 17.935 ( 3.952 -2.894 1.313) 5.071 18.240 ( 3.635 5.807 1.622) 7.040 18.480 ( 5.148 -5.760 -3.646) 8.543 21.229 ( -2.021 1.129 -2.618) 3.495 21.307 ( -8.421 -2.417 2.891) 9.226 21.628 ( -0.084 2.860 5.600) 6.289 22.022 ( 6.416 -15.628 -9.415) 19.340 25.236 ( -2.269 5.517 0.761) 6.014 25.395 ( -1.062 -1.065 1.821) 2.362 25.550 ( -1.512 1.094 -2.612) 3.210 25.690 ( -2.492 -6.560 0.104) 7.019 29.116 ( 4.171 0.062 -0.079) 4.172 29.125 ( 3.771 -0.446 0.065) 3.798 29.561 ( -4.431 0.895 -1.105) 4.654 29.612 ( -5.279 -1.398 1.056) 5.562 37.978 ( 10.729 0.989 -0.250) 10.778 38.004 ( 11.078 -0.177 0.185) 11.081 38.860 ( -6.371 0.542 -0.044) 6.394 38.877 ( -6.056 -0.220 0.060) 6.061 70.097 ( 4.597 4.943 -0.478) 6.767 70.122 ( 4.062 4.018 0.125) 5.715 73.752 ( -19.442 25.226 -9.502) 33.236 74.325 ( -31.257 -1.516 12.266) 33.611 ======================= Grid point 290 (151/168) ======================= q-point: ( 0.36 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 2.517 4.340 7.163) 8.745 2.000 ( 7.318 -0.372 6.497) 9.794 2.486 ( 3.275 7.636 0.856) 8.353 2.718 ( 4.236 -1.317 2.297) 4.996 2.808 ( -0.704 1.923 6.296) 6.621 2.905 ( 4.032 0.779 9.065) 9.952 3.296 ( 3.524 0.211 11.043) 11.593 3.402 ( -1.880 -0.327 4.213) 4.625 3.505 ( 6.145 -0.032 -1.706) 6.377 3.580 ( -4.513 -6.041 -10.924) 13.274 4.014 ( 0.229 8.536 -2.386) 8.866 4.121 ( 7.953 1.473 2.363) 8.426 4.432 ( 1.199 8.418 -5.520) 10.138 4.794 ( 5.071 -6.277 -5.823) 9.951 5.040 ( 0.221 5.036 4.981) 7.087 5.229 ( 0.368 -5.618 6.039) 8.256 5.896 ( 6.574 5.378 -14.490) 16.796 5.963 ( -3.364 4.933 -15.538) 16.646 6.572 ( 11.404 5.659 0.433) 12.738 6.843 ( 0.833 -4.145 0.193) 4.232 7.090 ( -5.706 11.053 0.508) 12.449 7.315 ( -13.175 6.489 0.094) 14.687 7.542 ( 4.948 -1.255 -2.909) 5.876 7.815 ( 1.171 -7.552 4.470) 8.853 8.545 ( -3.136 2.390 2.381) 4.606 8.587 ( -3.730 0.938 -0.024) 3.847 8.869 ( -0.889 0.416 5.140) 5.233 9.043 ( 5.926 -8.168 -1.425) 10.191 9.433 ( -0.616 12.942 7.556) 14.998 9.876 ( -0.485 -4.476 0.665) 4.551 10.832 ( -1.639 -1.796 -0.062) 2.432 10.978 ( 4.998 -7.729 -6.921) 11.516 11.318 ( 3.572 -0.179 -1.040) 3.725 11.408 ( -5.520 -4.782 -1.026) 7.375 12.415 ( -5.191 4.369 10.037) 12.115 12.439 ( 5.449 3.001 -0.187) 6.223 12.616 ( 3.057 -1.469 4.190) 5.391 12.814 ( 5.269 -8.309 -3.081) 10.310 13.863 ( -5.039 2.834 -3.212) 6.614 14.084 ( 0.597 -6.789 -7.940) 10.464 14.539 ( -1.923 4.888 0.412) 5.269 14.704 ( -6.659 -2.945 -0.572) 7.304 17.875 ( 4.854 4.928 4.889) 8.470 18.043 ( 4.719 -3.438 4.623) 7.447 18.284 ( 0.615 4.692 0.012) 4.732 18.496 ( 3.241 -5.337 -6.578) 9.070 21.184 ( -2.211 0.620 0.166) 2.302 21.216 ( -4.851 -0.668 1.137) 5.027 21.671 ( -1.320 2.246 5.688) 6.256 22.012 ( 4.888 -13.748 -11.215) 18.403 25.229 ( -0.783 4.845 2.901) 5.701 25.399 ( -0.815 -3.008 2.122) 3.770 25.505 ( -0.783 2.745 -2.650) 3.895 25.640 ( -2.631 -5.078 -1.407) 5.889 29.191 ( 4.657 -0.136 -0.014) 4.659 29.196 ( 4.887 -0.294 0.259) 4.903 29.475 ( -4.896 1.117 -0.818) 5.088 29.526 ( -5.979 -1.108 0.385) 6.093 38.160 ( 11.573 1.276 -0.213) 11.645 38.195 ( 11.638 -0.259 0.188) 11.642 38.739 ( -8.174 0.787 -0.104) 8.213 38.763 ( -7.917 -0.277 0.124) 7.923 70.163 ( 4.112 5.105 -0.816) 6.606 70.180 ( 2.739 4.587 -0.041) 5.343 73.438 ( -10.562 24.534 -3.077) 26.887 73.919 ( -27.149 2.372 4.941) 27.697 ======================= Grid point 291 (152/168) ======================= q-point: ( 0.45 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 2.166 3.888 12.159) 12.948 2.191 ( 8.234 -4.186 0.916) 9.283 2.524 ( -1.924 5.786 5.634) 8.301 2.817 ( -3.042 -3.995 3.845) 6.324 2.827 ( 4.886 5.280 1.142) 7.284 3.086 ( 5.654 4.753 11.030) 13.274 3.276 ( -6.506 -3.001 -7.227) 10.176 3.383 ( -4.928 4.671 5.404) 8.678 3.505 ( 0.797 -2.571 1.782) 3.228 3.600 ( 5.701 -0.860 -1.695) 6.009 4.013 ( -0.822 8.762 3.007) 9.300 4.231 ( 3.532 2.788 -3.111) 5.471 4.392 ( -0.180 3.528 -0.273) 3.543 4.766 ( 1.838 -7.639 -12.067) 14.399 5.147 ( 4.019 4.402 8.768) 10.603 5.297 ( -0.035 -3.925 7.370) 8.350 5.737 ( -5.664 4.861 -13.966) 15.835 5.808 ( 2.379 0.841 -16.331) 16.525 6.753 ( 11.644 7.904 -1.292) 14.133 6.858 ( -2.687 9.117 1.521) 9.625 6.987 ( -4.113 1.634 0.140) 4.428 7.117 ( -8.937 0.913 -2.278) 9.268 7.655 ( 7.308 0.060 2.479) 7.717 7.827 ( -2.794 -5.604 0.078) 6.262 8.514 ( -0.962 1.728 0.083) 1.980 8.549 ( -0.829 0.515 -1.097) 1.468 8.927 ( -1.539 0.022 9.296) 9.422 9.100 ( 3.389 -8.186 -3.071) 9.377 9.515 ( -0.607 13.066 11.021) 17.104 9.846 ( -0.851 1.310 -4.344) 4.616 10.808 ( -3.184 -4.889 3.593) 6.852 10.976 ( 4.421 -10.654 -7.675) 13.855 11.342 ( -1.930 -1.962 0.264) 2.765 11.386 ( 6.508 -4.326 -5.048) 9.304 12.411 ( -7.171 3.076 10.910) 13.413 12.496 ( 0.697 -0.480 1.475) 1.701 12.729 ( 3.900 0.336 4.498) 5.963 12.846 ( 1.995 -4.297 -3.394) 5.828 13.774 ( -1.258 2.222 -1.741) 3.090 13.972 ( -1.447 -6.195 -10.670) 12.422 14.540 ( 0.370 2.605 1.532) 3.044 14.616 ( -3.340 -0.754 -1.069) 3.587 18.012 ( 4.420 4.162 6.558) 8.937 18.153 ( 1.991 -2.229 4.920) 5.757 18.263 ( -2.588 3.350 -0.214) 4.238 18.463 ( 2.060 -5.508 -8.582) 10.403 21.139 ( -5.969 1.044 5.034) 7.878 21.192 ( 2.483 -0.548 -2.883) 3.845 21.702 ( -2.193 1.072 6.582) 7.020 21.965 ( 3.612 -11.072 -11.790) 16.572 25.266 ( 0.618 3.852 4.475) 5.937 25.398 ( -1.363 -1.322 -0.010) 1.898 25.485 ( 1.058 0.636 -0.700) 1.419 25.582 ( -1.821 -3.696 -2.725) 4.939 29.263 ( 3.787 0.183 0.357) 3.808 29.282 ( 4.382 -0.580 0.179) 4.424 29.393 ( -3.534 0.949 -0.344) 3.675 29.432 ( -5.175 -0.702 -0.347) 5.234 38.337 ( 9.239 1.337 -0.047) 9.335 38.367 ( 7.619 0.037 0.008) 7.619 38.606 ( -6.512 0.718 -0.043) 6.552 38.629 ( -7.690 -0.352 0.088) 7.699 70.204 ( 0.575 5.481 -0.011) 5.511 70.210 ( 1.883 5.105 -0.755) 5.493 73.362 ( 2.670 18.914 1.144) 19.136 73.578 ( -16.397 9.038 -0.131) 18.723 ======================= Grid point 292 (153/168) ======================= q-point: (-0.45 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -2.116 3.226 5.840) 6.999 2.241 ( 2.347 -2.593 -6.416) 7.308 2.547 ( -6.360 4.525 10.435) 13.032 2.764 ( 3.206 4.939 -8.247) 10.134 2.906 ( -6.366 -6.790 11.334) 14.665 3.109 ( -0.096 -6.107 -10.094) 11.798 3.270 ( -0.305 11.005 10.454) 15.182 3.363 ( 1.264 9.866 -0.161) 9.948 3.516 ( -3.462 -1.904 3.414) 5.222 3.657 ( 5.336 -3.016 -4.623) 7.677 4.042 ( -2.222 7.853 7.875) 11.341 4.159 ( -1.718 9.120 -9.361) 13.182 4.443 ( -3.838 -5.678 10.575) 12.602 4.638 ( 0.708 -7.571 -14.056) 15.982 5.295 ( 0.441 2.580 6.892) 7.372 5.334 ( -0.967 1.100 -0.378) 1.513 5.567 ( -2.815 4.444 -0.478) 5.282 5.705 ( 3.967 -1.880 -11.473) 12.284 6.714 ( -12.782 10.358 1.770) 16.547 6.915 ( 5.201 9.510 -2.996) 11.246 6.968 ( -0.447 -1.322 1.308) 1.913 7.083 ( 9.448 1.153 0.037) 9.518 7.680 ( -9.965 -0.840 1.481) 10.110 7.819 ( 4.800 -5.175 -0.289) 7.064 8.531 ( 2.992 1.094 -0.122) 3.188 8.546 ( 3.041 0.728 -2.597) 4.065 8.978 ( -3.299 -1.458 8.208) 8.965 9.089 ( 0.241 -6.944 -5.023) 8.574 9.617 ( -2.006 11.161 11.709) 16.300 9.777 ( 0.942 5.620 -7.774) 9.639 10.801 ( -2.887 -5.483 4.985) 7.953 10.984 ( 6.397 -11.556 -8.654) 15.791 11.319 ( -1.499 -0.330 0.570) 1.637 11.425 ( 5.500 -5.761 -6.906) 10.542 12.393 ( -8.126 3.390 10.218) 13.488 12.512 ( -1.220 -2.364 2.980) 3.994 12.745 ( -6.556 1.421 1.453) 6.864 12.842 ( 1.614 -3.373 -1.697) 4.106 13.811 ( 5.179 -0.747 0.894) 5.309 13.888 ( 5.378 -4.058 -9.825) 11.913 14.545 ( -2.951 2.123 1.498) 3.932 14.590 ( 1.799 -0.174 0.611) 1.908 18.120 ( -0.948 3.075 2.380) 4.002 18.150 ( -0.695 3.612 -1.911) 4.145 18.255 ( -3.095 -1.260 8.585) 9.212 18.397 ( 0.864 -5.996 -8.939) 10.798 21.103 ( -4.333 2.629 4.761) 6.954 21.224 ( 4.191 -2.385 -2.101) 5.260 21.734 ( -2.745 -0.767 8.065) 8.554 21.903 ( 2.827 -8.266 -10.994) 14.043 25.325 ( 0.128 2.922 3.945) 4.912 25.359 ( -0.573 1.980 -1.984) 2.861 25.517 ( 0.654 -2.650 -0.194) 2.737 25.540 ( 1.809 -2.978 -1.612) 3.840 29.270 ( -4.267 0.109 -0.242) 4.275 29.280 ( -3.671 -0.191 0.311) 3.689 29.394 ( 2.653 0.608 -0.389) 2.750 29.423 ( 5.662 -0.575 0.333) 5.701 38.338 ( -9.364 1.295 -0.135) 9.454 38.366 ( -7.389 0.080 0.091) 7.390 38.605 ( 6.345 0.648 -0.019) 6.378 38.630 ( 7.784 -0.314 0.049) 7.791 70.190 ( -2.417 6.070 0.623) 6.563 70.215 ( -0.578 4.949 -0.682) 5.029 73.401 ( -3.463 17.292 -2.193) 17.771 73.550 ( 17.732 10.419 2.407) 20.707 ======================= Grid point 293 (154/168) ======================= q-point: (-0.36 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -7.057 5.282 -5.277) 10.274 2.178 ( -1.265 -0.747 -8.972) 9.092 2.489 ( -8.041 7.224 3.599) 11.393 2.767 ( -3.015 4.523 -1.571) 5.658 2.843 ( -4.269 -6.010 3.438) 8.135 3.045 ( -4.207 -2.597 -2.136) 5.386 3.298 ( -1.096 8.464 5.522) 10.165 3.423 ( 0.089 4.369 3.501) 5.599 3.477 ( -1.614 -0.185 -1.019) 1.918 3.650 ( 2.570 -5.625 -11.137) 12.739 4.023 ( -5.338 11.228 -2.566) 12.695 4.100 ( -2.515 3.019 4.900) 6.281 4.379 ( -5.772 -1.880 -0.265) 6.076 4.615 ( -0.061 -8.526 4.642) 9.708 5.188 ( -3.711 5.703 -7.704) 10.279 5.343 ( -1.602 -1.600 -1.708) 2.836 5.614 ( -0.618 5.385 9.658) 11.075 5.750 ( 6.273 -0.395 1.506) 6.463 6.531 ( -11.948 8.718 3.001) 15.092 6.853 ( -2.860 -4.129 -0.701) 5.072 7.098 ( 7.987 8.474 -0.577) 11.659 7.286 ( 13.349 3.938 1.748) 14.027 7.509 ( -9.650 1.341 0.584) 9.760 7.863 ( 0.609 -8.511 -0.207) 8.535 8.585 ( 4.895 1.017 -2.107) 5.425 8.603 ( 5.423 0.528 -1.339) 5.611 8.973 ( -5.031 -2.116 3.954) 6.740 9.017 ( -2.565 -4.683 -4.999) 7.314 9.608 ( -3.326 11.040 -3.217) 11.971 9.787 ( 1.356 3.831 4.119) 5.787 10.805 ( -2.158 -2.988 3.729) 5.243 11.001 ( 6.058 -10.298 -9.706) 15.393 11.311 ( 1.007 1.160 -0.213) 1.550 11.447 ( 5.118 -5.454 -4.708) 8.838 12.333 ( -10.883 4.367 8.419) 14.436 12.513 ( -4.169 -4.712 5.617) 8.434 12.628 ( -6.027 3.202 -1.232) 6.936 12.825 ( -1.209 -5.399 -2.423) 6.040 13.887 ( 6.218 -1.139 -3.343) 7.151 13.973 ( 7.901 -4.532 -1.268) 9.196 14.520 ( -1.124 4.618 1.908) 5.121 14.662 ( 5.050 -2.146 2.864) 6.189 17.999 ( -5.851 4.838 -5.754) 9.527 18.138 ( -4.181 -0.410 -1.571) 4.485 18.297 ( -0.389 -1.393 3.226) 3.536 18.337 ( -2.012 -2.891 1.173) 3.712 21.093 ( -2.623 3.814 4.820) 6.683 21.283 ( 4.933 -4.686 -1.219) 6.912 21.772 ( -3.094 -3.072 9.038) 10.035 21.843 ( 2.275 -5.757 -9.541) 11.373 25.295 ( -1.219 3.980 -2.433) 4.821 25.399 ( 1.432 0.709 2.919) 3.328 25.496 ( 0.731 -0.553 -2.658) 2.812 25.606 ( 4.019 -5.022 1.355) 6.573 29.192 ( -4.816 0.005 -0.102) 4.817 29.201 ( -4.946 -0.339 -0.171) 4.960 29.461 ( 4.580 1.552 0.317) 4.846 29.528 ( 6.391 -1.340 0.177) 6.532 38.157 ( -11.656 1.400 0.010) 11.740 38.198 ( -11.535 -0.446 -0.059) 11.543 38.737 ( 8.165 0.833 0.068) 8.208 38.765 ( 7.917 -0.327 -0.056) 7.923 70.142 ( -4.160 6.140 0.934) 7.475 70.180 ( -3.016 4.527 -0.132) 5.441 73.420 ( 7.860 25.938 -1.374) 27.137 73.972 ( 31.105 0.467 0.486) 31.113 ======================= Grid point 294 (155/168) ======================= q-point: (-0.27 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -6.351 9.706 -6.723) 13.407 2.059 ( -0.665 1.540 -8.952) 9.108 2.371 ( -9.545 8.498 1.404) 12.857 2.607 ( -12.083 -3.284 -0.485) 12.531 2.835 ( -2.941 0.758 0.436) 3.069 2.927 ( -4.974 -0.291 -4.290) 6.575 3.279 ( -6.394 7.212 -2.006) 9.845 3.383 ( -6.885 -0.684 -1.406) 7.060 3.462 ( -1.716 -1.361 2.821) 3.571 3.591 ( 3.058 -7.315 -6.546) 10.282 3.920 ( -5.609 8.860 2.650) 10.816 4.055 ( -2.412 0.718 -0.920) 2.679 4.366 ( -0.022 3.852 4.107) 5.630 4.651 ( -2.098 -6.986 5.638) 9.219 5.097 ( -0.031 5.750 -4.102) 7.063 5.278 ( -1.736 -3.118 -4.387) 5.656 5.665 ( -4.613 8.204 8.099) 12.417 5.887 ( 4.388 2.541 7.503) 9.055 6.385 ( -9.578 7.689 2.261) 12.489 6.816 ( -2.432 -8.792 0.260) 9.126 7.176 ( 3.863 10.397 -1.395) 11.179 7.429 ( -2.701 0.534 2.670) 3.835 7.538 ( 14.034 3.117 2.706) 14.629 7.849 ( 0.017 -8.140 -2.874) 8.633 8.653 ( 5.539 0.856 -2.027) 5.960 8.675 ( 5.267 0.368 -1.728) 5.555 8.895 ( -4.251 -1.155 -1.886) 4.792 8.927 ( -4.967 -2.864 -0.658) 5.771 9.512 ( -2.147 11.328 -6.117) 13.052 9.832 ( -2.149 -2.427 4.953) 5.919 10.798 ( -2.029 0.684 1.484) 2.605 10.974 ( 2.612 -6.730 -9.516) 11.944 11.358 ( 5.662 3.448 -2.253) 7.002 11.528 ( 7.712 -3.616 0.560) 8.536 12.212 ( -11.610 4.585 5.771) 13.752 12.477 ( -8.466 -7.178 8.495) 13.977 12.557 ( -0.883 2.977 -2.207) 3.809 12.763 ( -2.860 -5.967 -3.211) 7.355 13.941 ( 1.889 -0.710 -0.513) 2.082 14.046 ( 3.657 -5.119 -2.487) 6.765 14.558 ( 2.505 7.062 3.014) 8.077 14.816 ( 9.467 -5.323 3.049) 11.281 17.850 ( -5.196 4.947 -5.017) 8.755 18.009 ( -6.036 -2.467 -4.792) 8.092 18.264 ( -2.954 1.724 -1.058) 3.580 18.364 ( -2.456 -2.221 6.766) 7.533 21.113 ( -1.202 4.351 5.587) 7.182 21.359 ( 4.882 -7.042 0.454) 8.581 21.784 ( 0.506 -3.784 -6.605) 7.629 21.809 ( -2.239 -5.371 6.540) 8.754 25.266 ( 0.198 5.116 -1.595) 5.363 25.431 ( 0.906 -2.740 -0.282) 2.900 25.506 ( 1.938 3.164 0.249) 3.719 25.682 ( 3.796 -6.710 0.668) 7.738 29.115 ( -4.250 0.108 -0.049) 4.252 29.127 ( -3.845 -0.536 -0.131) 3.884 29.539 ( 4.055 1.979 0.836) 4.589 29.628 ( 5.756 -2.017 -0.319) 6.107 37.972 ( -10.774 1.218 0.170) 10.844 38.009 ( -11.047 -0.438 -0.194) 11.058 38.858 ( 6.386 0.589 0.097) 6.414 38.879 ( 6.034 -0.268 -0.099) 6.040 70.079 ( -4.610 5.775 0.993) 7.456 70.120 ( -4.170 4.029 0.252) 5.804 73.618 ( 15.095 32.886 2.517) 36.272 74.530 ( 38.277 -9.934 -5.435) 39.916 ======================= Grid point 295 (156/168) ======================= q-point: (-0.18 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -2.106 15.378 -6.214) 16.719 1.989 ( -2.107 4.537 -2.729) 5.698 2.191 ( -15.139 6.834 2.162) 16.750 2.413 ( -9.633 -6.090 1.042) 11.444 2.713 ( -9.188 -2.240 -6.043) 11.223 2.817 ( -2.189 -4.339 -5.547) 7.375 3.111 ( -5.052 6.661 -6.533) 10.610 3.233 ( -7.202 0.520 -5.944) 9.353 3.425 ( -8.450 3.224 7.934) 12.031 3.562 ( -1.262 -2.901 -2.136) 3.817 3.943 ( 2.073 1.955 5.567) 6.254 4.068 ( 3.260 -2.147 1.673) 4.247 4.417 ( 2.095 5.823 3.557) 7.138 4.670 ( -1.180 -3.693 4.358) 5.833 5.085 ( 1.062 3.418 -1.745) 3.982 5.206 ( -1.281 -2.156 -5.195) 5.769 5.643 ( -5.876 11.313 6.830) 14.462 6.033 ( 2.421 1.019 10.302) 10.631 6.244 ( -8.025 10.434 -1.982) 13.311 6.766 ( -3.296 -6.205 -0.201) 7.029 7.242 ( 3.928 3.625 0.794) 5.403 7.404 ( -3.287 -2.184 0.288) 3.957 7.753 ( 7.157 1.292 0.051) 7.273 7.832 ( 4.940 -2.624 -4.470) 7.160 8.692 ( 3.403 1.092 -4.794) 5.980 8.769 ( 5.927 -0.643 2.270) 6.380 8.826 ( -5.378 -0.500 1.567) 5.624 8.869 ( 1.260 -0.953 -0.522) 1.664 9.425 ( -1.430 9.542 -5.129) 10.927 9.806 ( -5.212 -7.853 1.864) 9.608 10.775 ( -1.237 3.227 -0.132) 3.459 10.918 ( 1.338 -3.930 -7.551) 8.617 11.435 ( 6.666 8.819 -2.888) 11.427 11.688 ( 7.004 1.727 4.289) 8.392 12.100 ( -5.944 0.363 2.591) 6.494 12.430 ( -6.557 -6.460 7.421) 11.823 12.525 ( -2.545 -1.310 0.629) 2.931 12.667 ( -5.100 -4.529 -2.929) 7.423 13.940 ( -1.920 0.073 1.745) 2.595 14.069 ( 3.075 -5.275 -3.371) 6.975 14.640 ( 3.223 8.046 3.048) 9.188 14.984 ( 7.951 -8.302 -0.594) 11.511 17.751 ( -2.019 4.866 -2.165) 5.695 17.891 ( -3.356 -1.992 -1.473) 4.171 18.190 ( -4.795 4.704 -1.293) 6.840 18.361 ( -4.027 -3.359 2.874) 5.980 21.165 ( -0.133 4.300 6.896) 8.128 21.453 ( 4.250 -9.410 3.550) 10.918 21.718 ( -0.119 -1.750 -7.357) 7.563 21.829 ( -2.351 -7.481 4.624) 9.103 25.271 ( 1.251 5.747 0.047) 5.882 25.435 ( 0.936 -1.482 -1.671) 2.422 25.550 ( 2.011 1.893 1.793) 3.293 25.738 ( 2.702 -8.029 -0.461) 8.484 29.056 ( -2.927 0.226 0.086) 2.937 29.072 ( -2.731 -0.632 -0.093) 2.805 29.608 ( 3.004 1.889 1.337) 3.792 29.705 ( 4.287 -2.562 -1.044) 5.102 37.817 ( -8.246 0.894 0.279) 8.299 37.843 ( -8.656 -0.231 -0.239) 8.663 38.946 ( 4.254 0.307 0.090) 4.266 38.960 ( 3.939 -0.231 -0.095) 3.947 70.017 ( -3.909 5.334 0.868) 6.669 70.055 ( -3.945 3.725 0.244) 5.431 73.942 ( 16.815 34.984 8.813) 39.803 75.043 ( 34.368 -17.775 -14.854) 41.446 ======================= Grid point 296 (157/168) ======================= q-point: (-0.09 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 2.181 19.086 -1.913) 19.305 1.903 ( -5.357 8.617 -0.143) 10.147 1.953 ( -14.162 4.915 2.902) 15.269 2.353 ( -3.955 -8.520 1.545) 9.520 2.474 ( -1.792 -2.445 -14.154) 14.475 2.716 ( -5.793 -11.978 -5.142) 14.265 2.983 ( -6.573 5.323 -0.256) 8.462 3.075 ( -5.496 1.834 -2.243) 6.213 3.403 ( -3.637 6.204 8.067) 10.807 3.533 ( 1.319 -0.645 -2.610) 2.995 4.034 ( 3.747 1.862 2.029) 4.650 4.148 ( 3.289 -2.293 0.661) 4.064 4.524 ( 4.148 4.407 7.601) 9.716 4.703 ( -0.674 -1.231 5.479) 5.656 5.065 ( -1.386 0.664 -2.626) 3.043 5.134 ( -0.487 -1.199 -6.558) 6.685 5.646 ( -2.048 12.966 7.956) 15.350 6.066 ( -5.951 -0.171 -4.573) 7.507 6.195 ( 1.114 12.848 11.451) 17.247 6.712 ( -2.224 -4.069 -2.044) 5.067 7.276 ( 0.617 -1.650 -2.435) 3.005 7.326 ( -4.082 -3.447 -2.905) 6.081 7.774 ( 2.163 2.918 -1.983) 4.139 7.919 ( 4.938 -2.502 -2.279) 5.987 8.700 ( 2.256 0.866 -2.063) 3.178 8.747 ( -4.247 -0.755 0.950) 4.417 8.909 ( 5.752 0.506 2.104) 6.146 8.934 ( 4.460 -0.124 3.060) 5.410 9.376 ( 1.049 5.563 -2.832) 6.330 9.699 ( -7.679 -9.397 -1.818) 12.271 10.765 ( 0.867 3.380 -0.744) 3.568 10.872 ( 1.249 -2.367 -6.037) 6.603 11.523 ( 6.535 14.381 -0.776) 15.816 11.751 ( -5.223 13.959 3.539) 15.319 12.131 ( 8.416 -11.935 0.310) 14.607 12.407 ( -5.111 -8.942 6.065) 11.953 12.471 ( -7.003 -3.392 3.397) 8.490 12.562 ( -3.062 -0.126 -2.454) 3.926 13.939 ( -0.533 0.941 2.813) 3.014 14.080 ( 2.493 -4.481 -3.811) 6.389 14.717 ( 2.214 5.884 3.729) 7.309 15.032 ( 1.315 -8.622 -5.391) 10.253 17.750 ( 2.212 5.209 1.552) 5.868 17.896 ( 2.818 -1.885 3.493) 4.868 18.083 ( -5.482 5.852 -3.062) 8.583 18.287 ( -5.888 -3.932 -1.237) 7.187 21.243 ( 0.446 3.873 8.282) 9.153 21.559 ( 0.110 -12.400 8.636) 15.111 21.638 ( 0.795 1.117 -8.630) 8.738 21.823 ( -0.611 -8.882 -0.644) 8.927 25.302 ( 1.342 5.951 1.558) 6.296 25.427 ( 0.297 1.682 -2.265) 2.837 25.606 ( 1.939 -1.927 2.758) 3.883 25.758 ( 1.006 -8.591 -1.757) 8.827 29.022 ( -1.396 0.219 0.250) 1.435 29.037 ( -1.470 -0.523 -0.159) 1.568 29.661 ( 1.578 1.242 1.832) 2.718 29.744 ( 2.204 -2.626 -1.759) 3.853 37.715 ( -4.477 0.552 0.331) 4.523 37.730 ( -4.737 -0.024 -0.243) 4.743 38.999 ( 2.133 0.071 0.092) 2.136 39.006 ( 1.900 -0.187 -0.093) 1.912 69.973 ( -2.246 5.027 0.787) 5.561 70.001 ( -2.575 3.782 0.010) 4.576 74.311 ( 12.183 30.035 16.002) 36.146 75.294 ( 18.683 -17.748 -23.990) 35.208 ======================= Grid point 297 (158/168) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 1.406 -1.343 1.703) 2.585 1.899 ( 1.406 1.343 1.703) 2.585 2.210 ( 6.522 -10.072 0.347) 12.004 2.210 ( 6.522 10.072 0.347) 12.004 2.261 ( -8.511 -3.378 -8.056) 12.196 2.261 ( -8.511 3.378 -8.056) 12.196 2.998 ( 0.553 -1.476 -0.791) 1.763 2.998 ( 0.553 1.476 -0.791) 1.763 3.528 ( 0.162 -3.198 2.339) 3.966 3.528 ( 0.162 3.198 2.339) 3.966 4.151 ( 0.915 -1.250 0.265) 1.572 4.151 ( 0.915 1.250 0.265) 1.572 4.723 ( 0.294 -3.039 8.386) 8.925 4.723 ( 0.294 3.039 8.386) 8.925 5.012 ( -0.826 -2.044 -6.424) 6.792 5.012 ( -0.826 2.044 -6.424) 6.792 5.924 ( 0.586 -6.325 3.556) 7.280 5.924 ( 0.586 6.325 3.556) 7.280 6.524 ( -1.059 -9.395 1.151) 9.524 6.524 ( -1.059 9.395 1.151) 9.524 7.222 ( -0.147 -0.742 -1.707) 1.868 7.222 ( -0.147 0.742 -1.707) 1.868 7.845 ( -0.496 -3.214 -2.428) 4.058 7.845 ( -0.496 3.214 -2.428) 4.058 8.719 ( 0.083 -0.809 -0.106) 0.820 8.719 ( 0.083 0.809 -0.106) 0.820 9.015 ( 1.910 -0.995 1.685) 2.735 9.015 ( 1.910 0.995 1.685) 2.735 9.439 ( -1.712 -2.759 -1.921) 3.773 9.439 ( -1.712 2.759 -1.921) 3.773 10.818 ( 2.547 -1.260 -3.598) 4.585 10.818 ( 2.547 1.260 -3.598) 4.585 11.927 ( -5.482 -14.622 3.912) 16.098 11.927 ( -5.482 14.622 3.912) 16.098 12.025 ( 5.195 -13.018 -2.090) 14.171 12.025 ( 5.195 13.018 -2.090) 14.171 12.512 ( -2.417 -2.431 3.751) 5.082 12.512 ( -2.417 2.431 3.751) 5.082 14.016 ( 2.175 -2.781 -1.297) 3.761 14.016 ( 2.175 2.781 -1.297) 3.761 14.843 ( -1.600 -3.984 -0.357) 4.308 14.843 ( -1.600 3.984 -0.357) 4.308 17.953 ( 6.127 -4.899 4.809) 9.201 17.953 ( 6.127 4.899 4.809) 9.201 18.065 ( -5.570 -5.155 -4.712) 8.933 18.065 ( -5.570 5.155 -4.712) 8.933 21.425 ( -3.092 -6.035 9.086) 11.337 21.425 ( -3.092 6.035 9.086) 11.337 21.654 ( 2.845 -6.061 -6.981) 9.673 21.654 ( 2.845 6.061 -6.981) 9.673 25.424 ( 0.100 -2.226 0.893) 2.401 25.424 ( 0.100 2.226 0.893) 2.401 25.627 ( 0.009 -2.432 -0.837) 2.572 25.627 ( 0.009 2.432 -0.837) 2.572 29.017 ( 0.024 -0.173 0.049) 0.182 29.017 ( 0.024 0.173 0.049) 0.182 29.709 ( -0.064 -1.310 -0.049) 1.312 29.709 ( -0.064 1.310 -0.049) 1.312 37.686 ( 0.004 -0.225 0.012) 0.225 37.686 ( 0.004 0.225 0.012) 0.225 39.018 ( -0.000 -0.111 0.000) 0.111 39.018 ( -0.000 0.111 0.000) 0.111 70.013 ( -0.166 -0.317 0.323) 0.482 70.013 ( -0.166 0.317 0.323) 0.482 74.951 ( 0.078 -14.477 -2.273) 14.655 74.951 ( 0.078 14.477 -2.273) 14.655 ======================= Grid point 299 (159/168) ======================= q-point: ( 0.09 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -6.689 -9.755 -3.221) 12.259 1.980 ( -6.689 9.755 -3.221) 12.259 2.080 ( 11.442 -6.084 1.070) 13.003 2.080 ( 11.442 6.084 1.070) 13.003 2.390 ( 8.632 -14.113 2.023) 16.666 2.390 ( 8.632 14.113 2.023) 16.666 3.060 ( 6.085 -1.782 -0.496) 6.360 3.060 ( 6.085 1.783 -0.496) 6.360 3.543 ( 1.344 -3.906 -0.186) 4.135 3.543 ( 1.344 3.906 -0.186) 4.135 4.112 ( -4.644 -2.332 -1.016) 5.296 4.112 ( -4.644 2.332 -1.016) 5.296 4.762 ( -1.948 -3.663 0.276) 4.158 4.762 ( -1.948 3.663 0.276) 4.158 4.983 ( 1.643 -1.442 0.381) 2.219 4.983 ( 1.643 1.442 0.381) 2.219 5.975 ( 3.827 -2.134 -0.391) 4.399 5.975 ( 3.827 2.134 -0.391) 4.399 6.527 ( -0.442 -4.059 1.756) 4.445 6.527 ( -0.442 4.059 1.756) 4.445 7.250 ( 4.590 -2.466 0.080) 5.211 7.250 ( 4.590 2.466 0.080) 5.211 7.792 ( -4.692 -0.851 0.441) 4.789 7.792 ( -4.692 0.851 0.441) 4.789 8.714 ( -0.621 -2.702 -0.269) 2.786 8.714 ( -0.621 2.702 -0.269) 2.786 8.996 ( -3.251 -1.366 -2.432) 4.284 8.996 ( -3.251 1.366 -2.432) 4.284 9.448 ( 2.280 -6.594 2.261) 7.334 9.448 ( 2.280 6.594 2.261) 7.334 10.835 ( 4.099 -0.579 -4.157) 5.867 10.835 ( 4.099 0.579 -4.157) 5.867 11.773 ( -12.519 -15.229 1.941) 19.810 11.773 ( -12.519 15.229 1.941) 19.810 12.174 ( 10.586 -15.790 -1.108) 19.043 12.174 ( 10.586 15.790 -1.108) 19.043 12.515 ( -1.850 -2.215 3.687) 4.682 12.515 ( -1.850 2.215 3.687) 4.682 14.027 ( 2.053 -1.008 -3.377) 4.079 14.027 ( 2.053 1.008 -3.377) 4.079 14.818 ( -2.703 -2.498 2.384) 4.385 14.818 ( -2.703 2.498 2.384) 4.385 17.927 ( -4.055 -4.482 -5.029) 7.863 17.927 ( -4.055 4.482 -5.029) 7.863 18.121 ( 7.480 -6.248 4.221) 10.621 18.121 ( 7.480 6.248 4.221) 10.621 21.417 ( -6.345 -3.762 5.038) 8.933 21.417 ( -6.345 3.762 5.038) 8.933 21.666 ( 5.317 -10.090 -4.459) 12.246 21.666 ( 5.317 10.090 -4.459) 12.246 25.416 ( -1.615 -1.450 -0.080) 2.172 25.416 ( -1.615 1.450 -0.080) 2.172 25.619 ( -0.333 -0.757 -0.080) 0.831 25.619 ( -0.333 0.757 -0.080) 0.831 29.029 ( 1.442 -0.124 -0.034) 1.448 29.029 ( 1.442 0.124 -0.034) 1.448 29.694 ( -1.871 -0.454 0.094) 1.928 29.694 ( -1.871 0.454 0.094) 1.928 37.725 ( 4.644 -0.253 -0.004) 4.651 37.725 ( 4.644 0.253 -0.004) 4.651 39.002 ( -1.975 -0.182 0.000) 1.984 39.002 ( -1.975 0.182 0.000) 1.984 70.033 ( 2.114 -0.219 0.277) 2.144 70.033 ( 2.114 0.219 0.277) 2.144 74.826 ( -13.370 -0.144 -0.329) 13.374 74.826 ( -13.370 0.144 -0.329) 13.374 ======================= Grid point 301 (160/168) ======================= q-point: ( 0.18 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -5.384 -11.229 3.353) 12.896 1.859 ( -5.384 11.229 3.353) 12.896 2.356 ( 18.204 -2.740 -3.400) 18.720 2.356 ( 18.204 2.740 -3.400) 18.720 2.546 ( 7.172 -7.187 4.514) 11.112 2.546 ( 7.172 7.188 4.514) 11.112 3.126 ( 0.320 -4.827 3.742) 6.116 3.126 ( 0.320 4.827 3.742) 6.116 3.601 ( 7.302 -2.726 -4.301) 8.902 3.601 ( 7.302 2.726 -4.301) 8.902 4.018 ( -4.468 -2.145 0.250) 4.963 4.018 ( -4.468 2.145 0.250) 4.963 4.700 ( -0.875 -6.549 -5.577) 8.646 4.700 ( -0.875 6.549 -5.577) 8.646 5.035 ( 0.303 -0.873 4.764) 4.852 5.035 ( 0.303 0.873 4.764) 4.852 6.039 ( 7.104 -9.106 -5.502) 12.793 6.039 ( 7.104 9.106 -5.502) 12.793 6.543 ( 0.444 -12.012 1.704) 12.141 6.543 ( 0.444 12.012 1.704) 12.141 7.354 ( 7.066 -4.589 -0.091) 8.426 7.354 ( 7.066 4.589 -0.091) 8.426 7.702 ( -8.583 -2.581 3.455) 9.606 7.702 ( -8.583 2.581 3.455) 9.606 8.689 ( -2.711 -5.063 0.608) 5.776 8.689 ( -2.711 5.063 0.608) 5.776 8.906 ( -2.493 -1.689 -3.735) 4.797 8.906 ( -2.493 1.689 -3.735) 4.797 9.531 ( 2.883 -11.294 4.729) 12.579 9.531 ( 2.883 11.294 4.729) 12.579 10.864 ( 4.764 -0.848 -5.003) 6.961 10.864 ( 4.764 0.848 -5.003) 6.961 11.585 ( -11.866 -11.427 1.087) 16.510 11.585 ( -11.866 11.428 1.087) 16.510 12.326 ( 9.547 -12.903 -1.758) 16.147 12.326 ( 9.547 12.903 -1.758) 16.147 12.523 ( -2.044 -3.455 4.618) 6.119 12.523 ( -2.044 3.455 4.618) 6.119 14.023 ( 2.441 -1.975 -4.638) 5.601 14.023 ( 2.441 1.975 -4.638) 5.601 14.788 ( -4.740 -6.112 3.009) 8.299 14.788 ( -4.740 6.112 3.009) 8.299 17.848 ( -0.346 -4.047 -2.808) 4.938 17.848 ( -0.346 4.047 -2.808) 4.938 18.268 ( 6.330 -6.686 2.065) 9.436 18.268 ( 6.330 6.686 2.065) 9.436 21.342 ( -6.154 -3.395 1.571) 7.201 21.342 ( -6.154 3.395 1.571) 7.201 21.718 ( 4.724 -11.233 -2.400) 12.420 21.718 ( 4.724 11.233 -2.400) 12.420 25.377 ( -2.598 -3.470 -0.275) 4.344 25.377 ( -2.598 3.470 -0.275) 4.344 25.612 ( -0.705 -2.873 0.068) 2.959 25.612 ( -0.705 2.873 0.068) 2.959 29.064 ( 2.784 -0.272 -0.083) 2.799 29.064 ( 2.784 0.272 -0.083) 2.799 29.651 ( -3.481 -0.928 0.164) 3.606 29.651 ( -3.481 0.928 0.164) 3.606 37.834 ( 8.492 -0.457 -0.019) 8.504 37.834 ( 8.492 0.457 -0.019) 8.504 38.953 ( -4.029 -0.310 0.003) 4.041 38.953 ( -4.029 0.310 0.003) 4.041 70.085 ( 3.800 -0.613 0.165) 3.853 70.085 ( 3.800 0.613 0.165) 3.853 74.531 ( -22.203 -10.962 1.038) 24.784 74.531 ( -22.203 10.962 1.038) 24.784 ======================= Grid point 303 (161/168) ======================= q-point: ( 0.27 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -0.202 -6.506 5.687) 8.644 1.863 ( -0.202 6.506 5.687) 8.644 2.544 ( 8.882 -5.172 -2.761) 10.643 2.544 ( 8.882 5.172 -2.761) 10.643 2.713 ( 5.743 -1.193 7.057) 9.176 2.713 ( 5.743 1.193 7.057) 9.176 3.216 ( 3.368 -6.284 9.592) 11.952 3.216 ( 3.368 6.284 9.592) 11.952 3.599 ( -0.294 -6.009 -8.708) 10.584 3.599 ( -0.294 6.009 -8.708) 10.584 4.030 ( 4.199 -2.374 1.501) 5.052 4.030 ( 4.199 2.374 1.501) 5.052 4.648 ( 1.898 -8.422 -6.294) 10.684 4.648 ( 1.898 8.422 -6.294) 10.684 5.078 ( -0.710 -3.156 5.202) 6.126 5.078 ( -0.710 3.156 5.202) 6.126 6.067 ( 5.966 -8.627 -12.231) 16.113 6.067 ( 5.966 8.627 -12.231) 16.113 6.590 ( 3.528 -13.077 2.385) 13.753 6.590 ( 3.528 13.077 2.385) 13.753 7.423 ( 0.786 -10.249 -3.921) 11.002 7.423 ( 0.786 10.249 -3.921) 11.002 7.609 ( -5.580 -5.520 5.581) 9.631 7.609 ( -5.580 5.520 5.581) 9.631 8.640 ( -4.128 -3.869 1.158) 5.775 8.640 ( -4.128 3.869 1.158) 5.775 8.871 ( 1.017 -1.775 -0.530) 2.114 8.871 ( 1.017 1.775 -0.530) 2.114 9.622 ( 1.689 -12.917 5.925) 14.311 9.622 ( 1.689 12.917 5.925) 14.311 10.881 ( 3.461 -2.271 -5.718) 7.060 10.881 ( 3.461 2.271 -5.718) 7.060 11.422 ( -8.324 -6.762 0.296) 10.729 11.422 ( -8.324 6.763 0.296) 10.729 12.440 ( 4.745 -5.811 -0.177) 7.505 12.440 ( 4.745 5.811 -0.177) 7.505 12.555 ( 1.382 -6.178 4.261) 7.631 12.555 ( 1.382 6.178 4.261) 7.631 14.010 ( 1.562 -3.876 -5.311) 6.757 14.010 ( 1.562 3.876 -5.311) 6.757 14.717 ( -6.247 -6.233 1.286) 8.918 14.717 ( -6.247 6.233 1.286) 8.918 17.866 ( 3.363 -4.169 1.198) 5.489 17.866 ( 3.363 4.169 1.198) 5.489 18.361 ( 4.038 -6.267 -0.670) 7.485 18.361 ( 4.038 6.267 -0.670) 7.485 21.260 ( -4.970 -2.116 0.833) 5.465 21.260 ( -4.970 2.116 0.833) 5.465 21.763 ( 3.575 -10.514 -2.524) 11.388 21.763 ( 3.575 10.514 -2.524) 11.388 25.337 ( -2.317 -4.471 0.793) 5.098 25.337 ( -2.317 4.471 0.793) 5.098 25.594 ( -1.119 -3.407 -0.724) 3.658 25.594 ( -1.119 3.407 -0.724) 3.658 29.118 ( 3.958 -0.238 -0.031) 3.965 29.118 ( 3.958 0.238 -0.031) 3.965 29.584 ( -4.724 -1.374 0.068) 4.921 29.584 ( -4.724 1.374 0.068) 4.921 37.995 ( 10.964 -0.731 -0.024) 10.988 37.995 ( 10.964 0.731 -0.024) 10.988 38.870 ( -6.139 -0.460 0.007) 6.156 38.870 ( -6.139 0.460 0.007) 6.156 70.154 ( 4.371 -0.734 -0.002) 4.432 70.154 ( 4.371 0.734 -0.002) 4.432 74.155 ( -23.889 -15.254 1.204) 28.369 74.155 ( -23.889 15.254 1.204) 28.369 ======================= Grid point 305 (162/168) ======================= q-point: ( 0.36 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 3.203 -3.797 7.311) 8.839 1.954 ( 3.203 3.797 7.311) 8.839 2.623 ( 2.090 -6.538 1.879) 7.117 2.623 ( 2.090 6.538 1.879) 7.117 2.886 ( 5.400 -3.544 9.123) 11.179 2.886 ( 5.400 3.544 9.123) 11.179 3.347 ( -0.967 -4.644 5.284) 7.101 3.347 ( -0.967 4.644 5.284) 7.101 3.506 ( 1.349 -0.901 -4.442) 4.729 3.506 ( 1.349 0.901 -4.442) 4.729 4.116 ( 3.823 -2.374 0.911) 4.592 4.116 ( 3.823 2.374 0.911) 4.592 4.626 ( 3.292 -10.270 -8.108) 13.492 4.626 ( 3.292 10.270 -8.108) 13.493 5.128 ( 0.261 -4.564 6.442) 7.899 5.128 ( 0.261 4.564 6.442) 7.899 5.978 ( 0.895 -2.426 -16.355) 16.558 5.978 ( 0.895 2.426 -16.355) 16.558 6.709 ( 8.175 -7.819 1.582) 11.422 6.709 ( 8.175 7.819 1.582) 11.422 7.288 ( -10.689 -7.639 -2.173) 13.316 7.288 ( -10.689 7.639 -2.173) 13.316 7.650 ( 3.618 -9.022 1.920) 9.908 7.650 ( 3.618 9.022 1.920) 9.908 8.584 ( -3.250 -1.277 -0.005) 3.492 8.584 ( -3.250 1.277 -0.005) 3.492 8.914 ( 1.920 -4.530 3.139) 5.836 8.914 ( 1.920 4.530 3.139) 5.836 9.700 ( 0.010 -12.758 6.905) 14.507 9.700 ( 0.010 12.758 6.905) 14.507 10.856 ( 0.648 -4.225 -5.824) 7.224 10.856 ( 0.648 4.225 -5.824) 7.224 11.337 ( -1.738 -2.307 -0.672) 2.966 11.337 ( -1.738 2.307 -0.672) 2.966 12.471 ( -3.040 -1.188 5.291) 6.216 12.471 ( -3.040 1.188 5.291) 6.216 12.659 ( 7.205 -6.496 0.688) 9.725 12.659 ( 7.205 6.496 0.688) 9.725 13.952 ( -1.585 -6.068 -6.611) 9.112 13.952 ( -1.585 6.068 -6.611) 9.112 14.632 ( -4.243 -4.350 0.166) 6.079 14.632 ( -4.243 4.350 0.166) 6.079 17.966 ( 4.659 -4.337 4.700) 7.912 17.966 ( 4.659 4.337 4.700) 7.912 18.387 ( 1.600 -5.595 -3.137) 6.611 18.387 ( 1.600 5.595 -3.137) 6.611 21.200 ( -3.505 -0.969 1.148) 3.813 21.200 ( -3.505 0.969 1.148) 3.813 21.784 ( 2.361 -9.089 -3.070) 9.880 21.784 ( 2.361 9.089 -3.070) 9.880 25.323 ( -1.174 -4.581 2.330) 5.271 25.323 ( -1.174 4.581 2.330) 5.271 25.561 ( -1.237 -3.197 -1.906) 3.922 25.561 ( -1.237 3.197 -1.906) 3.922 29.191 ( 4.765 -0.159 0.130) 4.770 29.191 ( 4.765 0.159 0.130) 4.770 29.501 ( -5.367 -1.412 -0.145) 5.552 29.501 ( -5.367 1.412 -0.145) 5.552 38.183 ( 11.676 -0.952 -0.019) 11.715 38.183 ( 11.676 0.952 -0.019) 11.715 38.754 ( -8.012 -0.638 0.008) 8.037 38.754 ( -8.012 0.638 0.008) 8.037 70.220 ( 3.518 -0.487 -0.115) 3.553 70.220 ( 3.518 0.487 -0.115) 3.553 73.812 ( -18.082 -12.894 0.759) 22.221 73.812 ( -18.082 12.894 0.759) 22.221 ======================= Grid point 307 (163/168) ======================= q-point: ( 0.45 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 4.585 -5.173 6.745) 9.658 2.096 ( 4.585 5.173 6.745) 9.658 2.660 ( -3.350 -7.915 7.805) 11.610 2.660 ( -3.349 7.915 7.805) 11.610 3.012 ( 4.550 -9.133 -4.763) 11.260 3.012 ( 4.550 9.133 -4.763) 11.260 3.332 ( -3.576 -6.035 9.578) 11.872 3.332 ( -3.576 6.035 9.578) 11.872 3.551 ( 3.344 -4.024 -0.952) 5.318 3.551 ( 3.344 4.024 -0.952) 5.318 4.172 ( 0.336 -6.762 3.942) 7.835 4.172 ( 0.336 6.762 3.942) 7.835 4.566 ( 1.098 -11.518 -11.743) 16.485 4.566 ( 1.098 11.518 -11.743) 16.485 5.225 ( 2.104 -3.682 8.845) 9.809 5.225 ( 2.104 3.682 8.845) 9.809 5.799 ( -2.015 -1.719 -16.146) 16.362 5.799 ( -2.015 1.719 -16.146) 16.362 6.875 ( 10.690 -4.484 0.342) 11.597 6.875 ( 10.690 4.484 0.342) 11.597 7.080 ( -12.029 -5.237 -1.141) 13.169 7.080 ( -12.029 5.237 -1.141) 13.169 7.720 ( 2.244 -5.279 0.926) 5.810 7.720 ( 2.244 5.279 0.926) 5.810 8.542 ( -0.715 -1.038 -1.224) 1.757 8.542 ( -0.715 1.038 -1.224) 1.757 8.971 ( 0.584 -4.576 3.301) 5.672 8.971 ( 0.584 4.576 3.301) 5.673 9.759 ( -1.306 -10.033 7.065) 12.340 9.759 ( -1.306 10.033 7.065) 12.340 10.807 ( 0.959 -5.297 -5.361) 7.598 10.807 ( 0.959 5.297 -5.361) 7.598 11.333 ( 2.008 -1.080 -2.005) 3.036 11.333 ( 2.008 1.080 -2.005) 3.036 12.467 ( -4.554 -2.422 6.786) 8.524 12.467 ( -4.554 2.422 6.786) 8.524 12.767 ( 4.099 -3.395 0.839) 5.388 12.767 ( 4.099 3.395 0.839) 5.388 13.851 ( -0.805 -5.486 -7.406) 9.252 13.851 ( -0.805 5.486 -7.406) 9.252 14.589 ( -1.682 -2.046 0.435) 2.684 14.589 ( -1.682 2.046 0.435) 2.684 18.090 ( 3.165 -3.753 6.413) 8.076 18.090 ( 3.165 3.753 6.413) 8.076 18.355 ( -0.510 -5.373 -4.993) 7.352 18.355 ( -0.510 5.373 -4.993) 7.352 21.169 ( -1.981 -1.673 1.572) 3.032 21.169 ( -1.981 1.673 1.572) 3.032 21.782 ( 1.332 -7.090 -3.016) 7.820 21.782 ( 1.332 7.090 -3.016) 7.820 25.342 ( -0.057 -3.751 3.232) 4.951 25.342 ( -0.057 3.751 3.232) 4.951 25.520 ( -0.707 -2.599 -2.777) 3.869 25.520 ( -0.707 2.599 -2.777) 3.869 29.270 ( 4.112 -0.520 0.349) 4.160 29.270 ( 4.112 0.520 0.349) 4.160 29.414 ( -4.362 -1.055 -0.369) 4.503 29.414 ( -4.362 1.055 -0.369) 4.503 38.359 ( 8.663 -0.829 -0.015) 8.703 38.359 ( 8.663 0.829 -0.015) 8.702 38.619 ( -7.299 -0.642 0.009) 7.327 38.619 ( -7.299 0.642 0.009) 7.327 70.260 ( 1.288 -0.143 -0.079) 1.298 70.260 ( 1.288 0.143 -0.079) 1.298 73.610 ( -6.673 -5.840 0.337) 8.874 73.610 ( -6.673 5.840 0.337) 8.874 ======================= Grid point 309 (164/168) ======================= q-point: (-0.45 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 1.259 -3.234 -0.972) 3.604 2.185 ( 1.259 3.234 -0.972) 3.604 2.681 ( -6.649 -8.491 13.073) 16.947 2.681 ( -6.649 8.491 13.073) 16.947 2.960 ( 1.689 -7.870 -10.674) 13.369 2.960 ( 1.689 7.870 -10.674) 13.369 3.420 ( -1.765 -4.189 11.080) 11.976 3.420 ( -1.765 4.189 11.080) 11.976 3.564 ( 2.790 -6.257 -6.074) 9.156 3.564 ( 2.790 6.257 -6.074) 9.156 4.204 ( -3.651 -7.013 6.656) 10.335 4.204 ( -3.651 7.013 6.656) 10.335 4.453 ( -0.604 -9.226 -8.944) 12.864 4.453 ( -0.604 9.226 -8.944) 12.864 5.333 ( 0.240 -1.143 4.618) 4.763 5.333 ( 0.240 1.143 4.618) 4.763 5.647 ( 0.640 -3.667 -7.660) 8.516 5.647 ( 0.640 3.667 -7.660) 8.516 6.878 ( -11.351 -6.133 -0.147) 12.903 6.878 ( -11.351 6.133 -0.147) 12.903 7.063 ( 11.549 -3.674 0.101) 12.119 7.063 ( 11.549 3.674 0.101) 12.119 7.723 ( -2.714 -4.315 0.597) 5.132 7.723 ( -2.714 4.315 0.597) 5.132 8.547 ( 3.224 -0.497 -1.813) 3.732 8.547 ( 3.224 0.497 -1.813) 3.732 8.990 ( -1.360 -2.886 1.669) 3.600 8.990 ( -1.360 2.886 1.669) 3.600 9.792 ( -2.278 -4.991 5.070) 7.470 9.792 ( -2.278 4.991 5.070) 7.470 10.796 ( 3.864 -5.678 -4.780) 8.368 10.796 ( 3.864 5.678 -4.780) 8.368 11.343 ( 2.159 -2.669 -2.956) 4.531 11.343 ( 2.159 2.669 -2.956) 4.531 12.457 ( -5.239 -3.119 7.103) 9.361 12.457 ( -5.239 3.119 7.103) 9.361 12.785 ( -2.607 -2.506 0.239) 3.624 12.785 ( -2.607 2.506 0.239) 3.624 13.823 ( 5.659 -2.139 -5.521) 8.191 13.823 ( 5.659 2.139 -5.521) 8.191 14.579 ( -0.576 -1.184 1.256) 1.820 14.579 ( -0.576 1.184 1.256) 1.820 18.171 ( -1.049 -1.741 3.541) 4.083 18.171 ( -1.049 1.741 3.541) 4.083 18.288 ( -0.973 -4.721 -3.266) 5.823 18.288 ( -0.973 4.721 -3.266) 5.823 21.165 ( -0.627 -3.410 1.888) 3.948 21.165 ( -0.627 3.410 1.888) 3.948 21.772 ( 0.683 -4.658 -2.215) 5.203 21.772 ( 0.683 4.658 -2.215) 5.203 25.371 ( -0.112 -1.254 1.793) 2.191 25.371 ( -0.112 1.254 1.793) 2.191 25.496 ( 1.055 -0.962 -1.703) 2.222 25.496 ( 1.055 0.962 -1.703) 2.222 29.275 ( -4.112 -0.303 -0.010) 4.123 29.275 ( -4.112 0.303 -0.010) 4.123 29.408 ( 4.295 -0.825 0.035) 4.374 29.408 ( 4.295 0.825 0.035) 4.374 38.359 ( -8.644 -0.771 -0.019) 8.678 38.359 ( -8.644 0.771 -0.019) 8.678 38.619 ( 7.285 -0.699 0.013) 7.319 38.619 ( 7.285 0.699 0.013) 7.319 70.258 ( -1.554 -0.670 0.095) 1.695 70.258 ( -1.554 0.670 0.095) 1.695 73.613 ( 6.927 -3.984 0.047) 7.991 73.613 ( 6.927 3.984 0.047) 7.991 ======================= Grid point 311 (165/168) ======================= q-point: (-0.36 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -2.541 -4.380 -7.458) 9.014 2.120 ( -2.541 4.380 -7.458) 9.014 2.656 ( -8.302 -9.215 4.485) 13.188 2.656 ( -8.302 9.215 4.484) 13.188 2.927 ( -0.187 -7.727 1.120) 7.810 2.927 ( -0.187 7.727 1.120) 7.810 3.442 ( -2.283 -3.729 1.495) 4.621 3.442 ( -2.283 3.729 1.495) 4.621 3.522 ( 0.086 -6.322 -7.941) 10.151 3.522 ( 0.086 6.322 -7.941) 10.151 4.147 ( -6.801 -0.661 0.132) 6.834 4.147 ( -6.801 0.661 0.132) 6.834 4.430 ( -0.329 -8.467 5.179) 9.931 4.430 ( -0.329 8.467 5.179) 9.931 5.284 ( -2.492 -4.136 -6.061) 7.749 5.284 ( -2.492 4.136 -6.061) 7.749 5.704 ( 3.692 -3.722 6.795) 8.582 5.704 ( 3.692 3.722 6.795) 8.582 6.712 ( -9.017 -8.938 0.710) 12.716 6.712 ( -9.017 8.938 0.710) 12.716 7.247 ( 9.613 -5.732 0.788) 11.220 7.247 ( 9.613 5.732 0.788) 11.220 7.668 ( -3.197 -11.028 0.343) 11.487 7.668 ( -3.197 11.028 0.343) 11.487 8.601 ( 5.069 -0.597 -1.843) 5.426 8.601 ( 5.069 0.597 -1.843) 5.426 8.960 ( -3.063 -1.035 -0.331) 3.250 8.960 ( -3.063 1.035 -0.331) 3.250 9.780 ( -3.208 -5.149 1.559) 6.264 9.780 ( -3.208 5.149 1.559) 6.264 10.829 ( 5.013 -5.683 -4.380) 8.753 10.829 ( 5.013 5.683 -4.380) 8.753 11.358 ( 3.804 -3.533 -2.532) 5.777 11.358 ( 3.804 3.533 -2.532) 5.777 12.421 ( -8.627 -4.599 7.664) 12.422 12.421 ( -8.627 4.599 7.664) 12.422 12.716 ( -3.666 -5.376 -1.695) 6.725 12.716 ( -3.666 5.376 -1.695) 6.725 13.900 ( 7.235 -2.424 -2.887) 8.158 13.900 ( 7.235 2.424 -2.887) 8.158 14.604 ( 1.925 -3.754 2.456) 4.881 14.604 ( 1.925 3.754 2.456) 4.881 18.090 ( -5.353 -4.066 -5.399) 8.621 18.090 ( -5.353 4.066 -5.399) 8.621 18.297 ( -0.685 -1.283 4.310) 4.549 18.297 ( -0.685 1.283 4.310) 4.549 21.184 ( 0.286 -5.159 2.434) 5.711 21.184 ( 0.286 5.159 2.434) 5.711 21.762 ( 0.299 -2.098 -1.410) 2.546 21.762 ( 0.299 2.098 -1.410) 2.546 25.368 ( -0.208 -3.202 -0.983) 3.356 25.368 ( -0.208 3.202 -0.983) 3.356 25.525 ( 2.570 -3.159 0.672) 4.127 25.525 ( 2.570 3.159 0.672) 4.127 29.195 ( -4.906 -0.279 -0.173) 4.917 29.195 ( -4.906 0.279 -0.173) 4.917 29.496 ( 5.471 -1.832 0.249) 5.775 29.496 ( 5.471 1.832 0.249) 5.775 38.183 ( -11.674 -1.090 -0.010) 11.725 38.183 ( -11.674 1.090 -0.010) 11.725 38.754 ( 8.011 -0.782 0.005) 8.049 38.754 ( 8.011 0.782 0.005) 8.049 70.215 ( -3.748 -1.039 0.309) 3.901 70.215 ( -3.748 1.039 0.309) 3.901 73.827 ( 18.710 -14.743 -0.375) 23.824 73.827 ( 18.710 14.743 -0.375) 23.824 ======================= Grid point 313 (166/168) ======================= q-point: (-0.27 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -1.292 -6.112 -7.359) 9.653 2.006 ( -1.292 6.112 -7.359) 9.653 2.515 ( -11.524 -6.110 0.661) 13.060 2.515 ( -11.524 6.110 0.661) 13.060 2.893 ( -4.404 -3.389 -3.280) 6.453 2.893 ( -4.404 3.389 -3.280) 6.453 3.372 ( -6.445 -2.890 -4.155) 8.195 3.372 ( -6.445 2.890 -4.155) 8.195 3.466 ( 0.993 -4.361 0.178) 4.476 3.466 ( 0.993 4.361 0.178) 4.476 4.035 ( -5.936 -3.001 0.370) 6.662 4.035 ( -5.936 3.001 0.370) 6.662 4.493 ( -0.244 -8.328 7.051) 10.915 4.493 ( -0.244 8.328 7.051) 10.915 5.198 ( -0.705 -4.744 -5.340) 7.177 5.198 ( -0.705 4.744 -5.340) 7.177 5.820 ( 0.125 -6.898 8.562) 10.996 5.820 ( 0.125 6.898 8.562) 10.996 6.604 ( -5.058 -12.180 0.857) 13.217 6.604 ( -5.058 12.180 0.857) 13.217 7.353 ( 0.782 -6.861 1.882) 7.157 7.353 ( 0.782 6.861 1.882) 7.157 7.678 ( 5.299 -8.804 -0.609) 10.294 7.678 ( 5.299 8.804 -0.609) 10.294 8.669 ( 5.064 -0.769 -1.322) 5.290 8.669 ( 5.064 0.769 -1.322) 5.290 8.891 ( -3.587 -0.786 -1.685) 4.040 8.891 ( -3.587 0.786 -1.685) 4.040 9.720 ( -4.048 -8.883 -1.417) 9.864 9.720 ( -4.048 8.883 -1.417) 9.864 10.852 ( 2.771 -4.874 -4.166) 6.985 10.852 ( 2.771 4.874 -4.166) 6.985 11.440 ( 8.739 -4.737 -1.254) 10.019 11.440 ( 8.739 4.737 -1.254) 10.019 12.330 ( -11.269 -7.125 7.855) 15.475 12.330 ( -11.269 7.125 7.855) 15.475 12.649 ( -2.456 -5.617 -2.121) 6.487 12.649 ( -2.456 5.617 -2.121) 6.487 13.963 ( 3.018 -2.900 -1.751) 4.537 13.963 ( 3.018 2.900 -1.751) 4.537 14.696 ( 5.546 -6.782 2.918) 9.234 14.696 ( 5.546 6.782 2.918) 9.234 17.941 ( -5.462 -4.227 -5.243) 8.672 17.941 ( -5.462 4.227 -5.243) 8.672 18.313 ( -2.405 -2.814 3.568) 5.141 18.313 ( -2.405 2.814 3.568) 5.141 21.223 ( 0.724 -6.568 3.710) 7.578 21.223 ( 0.724 6.568 3.710) 7.578 21.751 ( 0.004 -0.589 -1.508) 1.619 21.751 ( 0.004 0.589 -1.508) 1.619 25.360 ( 0.693 -4.385 -1.059) 4.564 25.360 ( 0.693 4.385 -1.059) 4.564 25.576 ( 2.522 -4.254 0.685) 4.993 25.576 ( 2.522 4.254 0.685) 4.993 29.119 ( -4.054 -0.307 -0.098) 4.067 29.119 ( -4.054 0.307 -0.098) 4.067 29.583 ( 4.816 -2.425 0.178) 5.396 29.583 ( 4.816 2.425 0.178) 5.396 37.995 ( -10.965 -0.990 0.005) 11.009 37.995 ( -10.965 0.990 0.005) 11.009 38.870 ( 6.136 -0.589 -0.001) 6.164 38.870 ( 6.136 0.589 -0.001) 6.164 70.148 ( -4.559 -1.153 0.440) 4.723 70.148 ( -4.559 1.153 0.440) 4.723 74.186 ( 25.050 -24.207 -1.268) 34.858 74.186 ( 25.050 24.207 -1.268) 34.858 ======================= Grid point 315 (167/168) ======================= q-point: (-0.18 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 2.128 -8.439 -4.214) 9.670 1.954 ( 2.128 8.439 -4.214) 9.670 2.297 ( -15.902 -5.004 1.549) 16.743 2.297 ( -15.902 5.004 1.549) 16.743 2.733 ( -5.397 -3.594 -10.754) 12.558 2.733 ( -5.397 3.594 -10.754) 12.558 3.213 ( -7.673 -3.418 -3.069) 8.943 3.213 ( -7.673 3.418 -3.069) 8.943 3.491 ( -2.108 -3.813 4.297) 6.119 3.491 ( -2.108 3.813 4.297) 6.120 4.000 ( 0.723 -3.688 2.344) 4.429 4.000 ( 0.723 3.688 2.344) 4.429 4.557 ( 0.416 -7.296 5.945) 9.421 4.557 ( 0.416 7.296 5.945) 9.421 5.149 ( 0.038 -3.291 -4.437) 5.524 5.149 ( 0.038 3.291 -4.437) 5.524 5.872 ( -3.087 -11.233 7.523) 13.867 5.872 ( -3.087 11.233 7.523) 13.867 6.556 ( -1.909 -14.815 0.306) 14.940 6.556 ( -1.909 14.815 0.306) 14.940 7.334 ( -3.937 -5.006 1.338) 6.507 7.334 ( -3.937 5.006 1.338) 6.507 7.785 ( 7.794 -2.044 -2.536) 8.447 7.785 ( 7.794 2.044 -2.536) 8.447 8.727 ( 2.468 -2.365 -1.360) 3.679 8.727 ( 2.468 2.365 -1.360) 3.679 8.845 ( 0.630 -1.465 0.333) 1.629 8.845 ( 0.630 1.465 0.333) 1.629 9.627 ( -4.532 -10.254 -2.962) 11.595 9.627 ( -4.532 10.254 -2.962) 11.595 10.841 ( 1.058 -3.699 -3.730) 5.359 10.841 ( 1.058 3.699 -3.730) 5.359 11.606 ( 11.879 -8.070 -0.635) 14.375 11.606 ( 11.879 8.070 -0.635) 14.375 12.224 ( -10.518 -10.576 6.939) 16.451 12.224 ( -10.518 10.576 6.939) 16.451 12.586 ( -3.614 -4.262 -0.545) 5.614 12.586 ( -3.614 4.262 -0.545) 5.614 13.977 ( 0.930 -3.626 -0.927) 3.857 13.977 ( 0.930 3.626 -0.927) 3.857 14.811 ( 4.967 -9.075 1.110) 10.404 14.811 ( 4.967 9.075 1.110) 10.404 17.835 ( -2.494 -3.640 -1.775) 4.757 17.835 ( -2.494 3.640 -1.775) 4.757 18.283 ( -4.119 -4.518 0.858) 6.173 18.283 ( -4.119 4.518 0.858) 6.173 21.282 ( 0.780 -7.602 5.775) 9.579 21.282 ( 0.780 7.602 5.775) 9.579 21.729 ( -0.113 -2.803 -2.797) 3.962 21.729 ( -0.113 2.803 -2.797) 3.962 25.373 ( 1.385 -4.481 0.045) 4.690 25.373 ( 1.385 4.481 0.045) 4.690 25.615 ( 1.783 -4.636 -0.162) 4.969 25.615 ( 1.783 4.636 -0.162) 4.969 29.062 ( -2.819 -0.411 0.018) 2.849 29.062 ( -2.819 0.411 0.018) 2.849 29.653 ( 3.510 -2.599 0.012) 4.367 29.653 ( 3.510 2.599 0.012) 4.367 37.834 ( -8.490 -0.722 0.018) 8.521 37.834 ( -8.490 0.722 0.018) 8.521 38.953 ( 4.025 -0.383 -0.002) 4.043 38.953 ( 4.025 0.383 -0.002) 4.043 70.081 ( -4.008 -1.050 0.436) 4.166 70.081 ( -4.008 1.050 0.436) 4.166 74.576 ( 23.459 -28.955 -2.538) 37.352 74.576 ( 23.459 28.955 -2.538) 37.352 ======================= Grid point 317 (168/168) ======================= q-point: (-0.09 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -5.088 -5.440 1.933) 7.696 1.950 ( -5.088 5.440 1.933) 7.696 2.112 ( -0.809 -13.409 -1.858) 13.561 2.112 ( -0.809 13.409 -1.858) 13.561 2.519 ( -7.661 -6.975 -11.213) 15.267 2.519 ( -7.661 6.975 -11.213) 15.267 3.068 ( -7.363 -2.730 -0.540) 7.872 3.068 ( -7.363 2.730 -0.540) 7.872 3.498 ( -0.655 -3.238 3.217) 4.611 3.498 ( -0.655 3.238 3.217) 4.611 4.083 ( 4.613 -3.413 2.707) 6.344 4.083 ( 4.613 3.413 2.707) 6.344 4.632 ( 0.743 -5.513 7.394) 9.253 4.632 ( 0.743 5.513 7.394) 9.253 5.093 ( -0.936 -2.237 -5.667) 6.163 5.093 ( -0.936 2.237 -5.667) 6.163 5.890 ( -2.319 -11.428 6.026) 13.126 5.890 ( -2.319 11.428 6.026) 13.126 6.536 ( -1.138 -14.377 0.269) 14.424 6.536 ( -1.138 14.377 0.269) 14.424 7.271 ( -3.516 -1.807 -0.919) 4.059 7.271 ( -3.516 1.807 -0.919) 4.059 7.850 ( 3.900 -4.225 -3.806) 6.895 7.850 ( 3.900 4.225 -3.806) 6.895 8.723 ( -0.268 -1.404 -0.700) 1.591 8.723 ( -0.268 1.404 -0.700) 1.591 8.924 ( 5.102 -0.775 2.800) 5.871 8.924 ( 5.102 0.775 2.800) 5.871 9.521 ( -4.217 -8.658 -3.405) 10.215 9.521 ( -4.217 8.658 -3.405) 10.215 10.823 ( 1.229 -2.649 -3.463) 4.530 10.823 ( 1.229 2.649 -3.463) 4.530 11.797 ( 11.491 -12.457 -0.105) 16.949 11.797 ( 11.491 12.457 -0.105) 16.949 12.116 ( -9.725 -14.038 4.018) 17.544 12.116 ( -9.725 14.038 4.018) 17.544 12.530 ( -3.758 -3.135 2.258) 5.389 12.530 ( -3.758 3.135 2.258) 5.389 13.990 ( 1.635 -4.057 -0.394) 4.392 13.990 ( 1.635 4.057 -0.394) 4.392 14.861 ( 1.114 -8.433 -1.068) 8.573 14.861 ( 1.114 8.433 -1.068) 8.573 17.839 ( 2.469 -3.802 2.569) 5.211 17.839 ( 2.469 3.802 2.569) 5.211 18.195 ( -5.524 -5.347 -2.351) 8.039 18.195 ( -5.524 5.347 -2.351) 8.039 21.359 ( -0.017 -8.020 8.045) 11.360 21.359 ( -0.017 8.020 8.045) 11.360 21.692 ( 0.421 -4.553 -5.020) 6.791 21.692 ( 0.421 4.553 -5.020) 6.791 25.401 ( 1.257 -3.880 0.994) 4.198 25.401 ( 1.257 3.880 0.994) 4.198 25.630 ( 0.788 -4.276 -0.884) 4.437 25.630 ( 0.788 4.276 -0.884) 4.437 29.028 ( -1.419 -0.364 0.080) 1.467 29.028 ( -1.419 0.364 0.080) 1.467 29.696 ( 1.797 -2.203 -0.098) 2.845 29.696 ( 1.797 2.203 -0.098) 2.845 37.725 ( -4.638 -0.425 0.021) 4.658 37.725 ( -4.638 0.425 0.021) 4.658 39.002 ( 1.974 -0.210 -0.000) 1.985 39.002 ( 1.974 0.210 -0.000) 1.985 70.032 ( -2.401 -0.759 0.369) 2.545 70.032 ( -2.401 0.759 0.369) 2.545 74.862 ( 13.994 -25.689 -3.202) 29.428 74.862 ( 13.994 25.689 -3.202) 29.428 =================== 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 3/36300 10.0 88.156 112.625 157.084 0.000 -16.016 0.000 3/36300 20.0 30.540 25.832 42.431 0.000 -1.327 0.000 3/36300 30.0 17.315 12.898 21.314 0.000 -0.932 0.000 3/36300 40.0 11.989 8.402 14.086 0.000 -0.554 0.000 3/36300 50.0 9.100 6.228 10.503 0.000 -0.322 0.000 3/36300 60.0 7.308 4.970 8.368 0.000 -0.190 0.000 3/36300 70.0 6.099 4.154 6.953 0.000 -0.114 0.000 3/36300 80.0 5.233 3.580 5.947 0.000 -0.070 0.000 3/36300 90.0 4.585 3.153 5.197 0.000 -0.044 0.000 3/36300 100.0 4.082 2.822 4.616 0.000 -0.029 0.000 3/36300 110.0 3.682 2.558 4.155 0.000 -0.021 0.000 3/36300 120.0 3.356 2.342 3.779 0.000 -0.016 0.000 3/36300 130.0 3.085 2.162 3.469 0.000 -0.014 0.000 3/36300 140.0 2.857 2.010 3.208 0.000 -0.013 0.000 3/36300 150.0 2.662 1.879 2.986 0.000 -0.013 0.000 3/36300 160.0 2.494 1.766 2.794 0.000 -0.013 0.000 3/36300 170.0 2.347 1.667 2.628 0.000 -0.014 0.000 3/36300 180.0 2.218 1.579 2.482 0.000 -0.015 0.000 3/36300 190.0 2.104 1.501 2.352 0.000 -0.015 0.000 3/36300 200.0 2.001 1.432 2.237 0.000 -0.016 0.000 3/36300 210.0 1.909 1.369 2.134 0.000 -0.017 0.000 3/36300 220.0 1.826 1.312 2.040 0.000 -0.017 0.000 3/36300 230.0 1.750 1.260 1.956 0.000 -0.018 0.000 3/36300 240.0 1.681 1.212 1.878 0.000 -0.018 0.000 3/36300 250.0 1.618 1.169 1.807 0.000 -0.019 0.000 3/36300 260.0 1.560 1.128 1.742 0.000 -0.019 0.000 3/36300 270.0 1.506 1.091 1.682 0.000 -0.019 0.000 3/36300 280.0 1.456 1.056 1.626 0.000 -0.020 0.000 3/36300 290.0 1.409 1.023 1.574 0.000 -0.020 0.000 3/36300 300.0 1.365 0.993 1.525 0.000 -0.020 0.000 3/36300 310.0 1.325 0.964 1.479 0.000 -0.020 0.000 3/36300 320.0 1.287 0.937 1.437 0.000 -0.020 0.000 3/36300 330.0 1.251 0.912 1.396 0.000 -0.020 0.000 3/36300 340.0 1.217 0.888 1.358 0.000 -0.020 0.000 3/36300 350.0 1.185 0.866 1.323 0.000 -0.019 0.000 3/36300 360.0 1.155 0.844 1.289 0.000 -0.019 0.000 3/36300 370.0 1.126 0.824 1.256 0.000 -0.019 0.000 3/36300 380.0 1.099 0.804 1.226 0.000 -0.019 0.000 3/36300 390.0 1.073 0.786 1.197 0.000 -0.019 0.000 3/36300 400.0 1.049 0.768 1.169 0.000 -0.019 0.000 3/36300 410.0 1.025 0.751 1.142 0.000 -0.018 0.000 3/36300 420.0 1.003 0.735 1.117 0.000 -0.018 0.000 3/36300 430.0 0.982 0.720 1.093 0.000 -0.018 0.000 3/36300 440.0 0.961 0.705 1.070 0.000 -0.018 0.000 3/36300 450.0 0.941 0.690 1.048 0.000 -0.018 0.000 3/36300 460.0 0.923 0.677 1.026 0.000 -0.017 0.000 3/36300 470.0 0.905 0.664 1.006 0.000 -0.017 0.000 3/36300 480.0 0.887 0.651 0.986 0.000 -0.017 0.000 3/36300 490.0 0.871 0.639 0.968 0.000 -0.017 0.000 3/36300 500.0 0.855 0.627 0.949 0.000 -0.017 0.000 3/36300 510.0 0.839 0.616 0.932 0.000 -0.016 0.000 3/36300 520.0 0.824 0.605 0.915 0.000 -0.016 0.000 3/36300 530.0 0.810 0.594 0.899 0.000 -0.016 0.000 3/36300 540.0 0.796 0.584 0.883 0.000 -0.016 0.000 3/36300 550.0 0.783 0.574 0.868 0.000 -0.016 0.000 3/36300 560.0 0.770 0.565 0.853 0.000 -0.015 0.000 3/36300 570.0 0.757 0.556 0.839 0.000 -0.015 0.000 3/36300 580.0 0.745 0.547 0.825 0.000 -0.015 0.000 3/36300 590.0 0.733 0.538 0.812 0.000 -0.015 0.000 3/36300 600.0 0.722 0.530 0.799 0.000 -0.015 0.000 3/36300 610.0 0.711 0.522 0.786 0.000 -0.014 0.000 3/36300 620.0 0.700 0.514 0.774 0.000 -0.014 0.000 3/36300 630.0 0.690 0.506 0.763 0.000 -0.014 0.000 3/36300 640.0 0.680 0.499 0.751 0.000 -0.014 0.000 3/36300 650.0 0.670 0.491 0.740 0.000 -0.014 0.000 3/36300 660.0 0.660 0.484 0.729 0.000 -0.013 0.000 3/36300 670.0 0.651 0.478 0.719 0.000 -0.013 0.000 3/36300 680.0 0.642 0.471 0.709 0.000 -0.013 0.000 3/36300 690.0 0.633 0.464 0.699 0.000 -0.013 0.000 3/36300 700.0 0.625 0.458 0.689 0.000 -0.013 0.000 3/36300 710.0 0.617 0.452 0.680 0.000 -0.013 0.000 3/36300 720.0 0.608 0.446 0.671 0.000 -0.013 0.000 3/36300 730.0 0.601 0.440 0.662 0.000 -0.012 0.000 3/36300 740.0 0.593 0.435 0.653 0.000 -0.012 0.000 3/36300 750.0 0.585 0.429 0.645 0.000 -0.012 0.000 3/36300 760.0 0.578 0.424 0.637 0.000 -0.012 0.000 3/36300 770.0 0.571 0.418 0.629 0.000 -0.012 0.000 3/36300 780.0 0.564 0.413 0.621 0.000 -0.012 0.000 3/36300 790.0 0.557 0.408 0.613 0.000 -0.012 0.000 3/36300 800.0 0.551 0.403 0.606 0.000 -0.011 0.000 3/36300 810.0 0.544 0.399 0.599 0.000 -0.011 0.000 3/36300 820.0 0.538 0.394 0.591 0.000 -0.011 0.000 3/36300 830.0 0.532 0.389 0.584 0.000 -0.011 0.000 3/36300 840.0 0.526 0.385 0.578 0.000 -0.011 0.000 3/36300 850.0 0.520 0.381 0.571 0.000 -0.011 0.000 3/36300 860.0 0.514 0.376 0.565 0.000 -0.011 0.000 3/36300 870.0 0.508 0.372 0.558 0.000 -0.011 0.000 3/36300 880.0 0.503 0.368 0.552 0.000 -0.010 0.000 3/36300 890.0 0.497 0.364 0.546 0.000 -0.010 0.000 3/36300 900.0 0.492 0.360 0.540 0.000 -0.010 0.000 3/36300 910.0 0.487 0.356 0.534 0.000 -0.010 0.000 3/36300 920.0 0.482 0.353 0.529 0.000 -0.010 0.000 3/36300 930.0 0.477 0.349 0.523 0.000 -0.010 0.000 3/36300 940.0 0.472 0.345 0.518 0.000 -0.010 0.000 3/36300 950.0 0.467 0.342 0.512 0.000 -0.010 0.000 3/36300 960.0 0.463 0.338 0.507 0.000 -0.010 0.000 3/36300 970.0 0.458 0.335 0.502 0.000 -0.010 0.000 3/36300 980.0 0.453 0.332 0.497 0.000 -0.009 0.000 3/36300 990.0 0.449 0.328 0.492 0.000 -0.009 0.000 3/36300 1000.0 0.445 0.325 0.487 0.000 -0.009 0.000 3/36300 Thermal conductivity related properties were written into "kappa-m11105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:04:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|