----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:25:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.823465530084383 0.000000000000000 0.000000000000000 b 0.000000000000000 13.511947479999998 0.000000000000000 c -1.892676796474411 0.000000000000000 6.383252519114351 Atomic positions (fractional): *1 Ca 0.95445090916450 0.88786447744629 0.86454776226103 40.078 *2 Ca 0.55861341172186 0.23909233320290 0.76305351669176 40.078 3 Ca 0.04554909083550 0.11213552255372 0.13545223773897 40.078 4 Ca 0.44138658827813 0.76090766679710 0.23694648330824 40.078 5 Ca 0.95445090916450 0.61213552255371 0.36454776226103 40.078 6 Ca 0.55861341172186 0.26090766679710 0.26305351669175 40.078 7 Ca 0.44138658827813 0.73909233320290 0.73694648330824 40.078 8 Ca 0.04554909083550 0.38786447744628 0.63545223773897 40.078 *9 Tl 0.95722976331216 0.61545437958996 0.86318134859841 204.383 *10 Tl 0.50000000000000 0.00000000000000 0.00000000000000 204.383 11 Tl 0.04277023668784 0.38454562041004 0.13681865140159 204.383 *12 Tl 0.50000000000000 0.50000000000000 0.00000000000000 204.383 13 Tl 0.95722976331216 0.88454562041004 0.36318134859841 204.383 14 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 15 Tl 0.04277023668784 0.11545437958996 0.63681865140159 204.383 16 Tl 0.50000000000000 0.00000000000000 0.50000000000000 204.383 *17 O 0.33284052831390 0.35551785735619 0.95815533348592 15.999 *18 O 0.33958105164384 0.14523850882806 0.96298897983807 15.999 *19 O 0.16083265493792 0.74657044713348 0.91784814952835 15.999 *20 O 0.77687605040124 0.05306688243890 0.82088782525629 15.999 *21 O 0.79472062065389 0.46231534698304 0.82141028989177 15.999 22 O 0.22312394959876 0.94693311756109 0.17911217474371 15.999 23 O 0.83916734506208 0.25342955286652 0.08215185047165 15.999 24 O 0.66715947168610 0.64448214264381 0.04184466651408 15.999 25 O 0.66041894835616 0.85476149117194 0.03701102016193 15.999 26 O 0.20527937934611 0.53768465301696 0.17858971010823 15.999 27 O 0.33284052831390 0.14448214264381 0.45815533348592 15.999 28 O 0.33958105164384 0.35476149117194 0.46298897983807 15.999 29 O 0.77687605040124 0.44693311756110 0.32088782525629 15.999 30 O 0.16083265493792 0.75342955286652 0.41784814952835 15.999 31 O 0.79472062065389 0.03768465301696 0.32141028989177 15.999 32 O 0.20527937934611 0.96231534698304 0.67858971010823 15.999 33 O 0.22312394959876 0.55306688243891 0.67911217474371 15.999 34 O 0.66715947168610 0.85551785735619 0.54184466651408 15.999 35 O 0.66041894835616 0.64523850882806 0.53701102016193 15.999 36 O 0.83916734506208 0.24657044713348 0.58215185047165 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.823465530084383 0.000000000000000 0.000000000000000 b 0.000000000000000 13.511947479999998 0.000000000000000 c -1.892676796474411 0.000000000000000 6.383252519114351 Atomic positions (fractional): *1 Ca 0.95445090916450 0.88786447744629 0.86454776226103 40.078 > 1 *2 Ca 0.55861341172186 0.23909233320290 0.76305351669176 40.078 > 2 3 Ca 0.04554909083550 0.11213552255372 0.13545223773897 40.078 > 3 4 Ca 0.44138658827813 0.76090766679710 0.23694648330824 40.078 > 4 5 Ca 0.95445090916450 0.61213552255371 0.36454776226103 40.078 > 5 6 Ca 0.55861341172186 0.26090766679710 0.26305351669175 40.078 > 6 7 Ca 0.44138658827813 0.73909233320290 0.73694648330824 40.078 > 7 8 Ca 0.04554909083550 0.38786447744628 0.63545223773897 40.078 > 8 *9 Tl 0.95722976331216 0.61545437958996 0.86318134859841 204.383 > 9 *10 Tl 0.50000000000000 0.00000000000000 0.00000000000000 204.383 > 10 11 Tl 0.04277023668784 0.38454562041004 0.13681865140159 204.383 > 11 *12 Tl 0.50000000000000 0.50000000000000 0.00000000000000 204.383 > 12 13 Tl 0.95722976331216 0.88454562041004 0.36318134859841 204.383 > 13 14 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 > 14 15 Tl 0.04277023668784 0.11545437958996 0.63681865140159 204.383 > 15 16 Tl 0.50000000000000 0.00000000000000 0.50000000000000 204.383 > 16 *17 O 0.33284052831390 0.35551785735619 0.95815533348592 15.999 > 17 *18 O 0.33958105164384 0.14523850882806 0.96298897983807 15.999 > 18 *19 O 0.16083265493792 0.74657044713348 0.91784814952835 15.999 > 19 *20 O 0.77687605040124 0.05306688243890 0.82088782525629 15.999 > 20 *21 O 0.79472062065389 0.46231534698304 0.82141028989177 15.999 > 21 22 O 0.22312394959876 0.94693311756109 0.17911217474371 15.999 > 22 23 O 0.83916734506208 0.25342955286652 0.08215185047165 15.999 > 23 24 O 0.66715947168610 0.64448214264381 0.04184466651408 15.999 > 24 25 O 0.66041894835616 0.85476149117194 0.03701102016193 15.999 > 25 26 O 0.20527937934611 0.53768465301696 0.17858971010823 15.999 > 26 27 O 0.33284052831390 0.14448214264381 0.45815533348592 15.999 > 27 28 O 0.33958105164384 0.35476149117194 0.46298897983807 15.999 > 28 29 O 0.77687605040124 0.44693311756110 0.32088782525629 15.999 > 29 30 O 0.16083265493792 0.75342955286652 0.41784814952835 15.999 > 30 31 O 0.79472062065389 0.03768465301696 0.32141028989177 15.999 > 31 32 O 0.20527937934611 0.96231534698304 0.67858971010823 15.999 > 32 33 O 0.22312394959876 0.55306688243891 0.67911217474371 15.999 > 33 34 O 0.66715947168610 0.85551785735619 0.54184466651408 15.999 > 34 35 O 0.66041894835616 0.64523850882806 0.53701102016193 15.999 > 35 36 O 0.83916734506208 0.24657044713348 0.58215185047165 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.646931060168766 0.000000000000000 0.000000000000000 b 0.000000000000000 13.511947479999998 0.000000000000000 c -3.785353592948822 0.000000000000000 12.766505038228702 Atomic positions (fractional): *1 Ca 0.47722545458225 0.88786447744629 0.43227388113051 40.078 > 1 2 Ca 0.97722545458225 0.88786447744629 0.43227388113051 40.078 > 1 3 Ca 0.47722545458225 0.88786447744629 0.93227388113051 40.078 > 1 4 Ca 0.97722545458225 0.88786447744629 0.93227388113051 40.078 > 1 *5 Ca 0.27930670586093 0.23909233320290 0.38152675834588 40.078 > 2 6 Ca 0.77930670586093 0.23909233320290 0.38152675834588 40.078 > 2 7 Ca 0.27930670586093 0.23909233320290 0.88152675834588 40.078 > 2 8 Ca 0.77930670586093 0.23909233320290 0.88152675834588 40.078 > 2 9 Ca 0.02277454541775 0.11213552255372 0.06772611886949 40.078 > 3 10 Ca 0.52277454541775 0.11213552255372 0.06772611886949 40.078 > 3 11 Ca 0.02277454541775 0.11213552255372 0.56772611886949 40.078 > 3 12 Ca 0.52277454541775 0.11213552255372 0.56772611886949 40.078 > 3 13 Ca 0.22069329413907 0.76090766679710 0.11847324165412 40.078 > 4 14 Ca 0.72069329413907 0.76090766679710 0.11847324165412 40.078 > 4 15 Ca 0.22069329413907 0.76090766679710 0.61847324165412 40.078 > 4 16 Ca 0.72069329413907 0.76090766679710 0.61847324165412 40.078 > 4 17 Ca 0.47722545458225 0.61213552255371 0.18227388113051 40.078 > 5 18 Ca 0.97722545458225 0.61213552255371 0.18227388113051 40.078 > 5 19 Ca 0.47722545458225 0.61213552255371 0.68227388113051 40.078 > 5 20 Ca 0.97722545458225 0.61213552255371 0.68227388113051 40.078 > 5 21 Ca 0.27930670586093 0.26090766679710 0.13152675834588 40.078 > 6 22 Ca 0.77930670586093 0.26090766679710 0.13152675834588 40.078 > 6 23 Ca 0.27930670586093 0.26090766679710 0.63152675834588 40.078 > 6 24 Ca 0.77930670586093 0.26090766679710 0.63152675834588 40.078 > 6 25 Ca 0.22069329413907 0.73909233320290 0.36847324165412 40.078 > 7 26 Ca 0.72069329413907 0.73909233320290 0.36847324165412 40.078 > 7 27 Ca 0.22069329413907 0.73909233320290 0.86847324165412 40.078 > 7 28 Ca 0.72069329413907 0.73909233320290 0.86847324165412 40.078 > 7 29 Ca 0.02277454541775 0.38786447744628 0.31772611886949 40.078 > 8 30 Ca 0.52277454541775 0.38786447744628 0.31772611886949 40.078 > 8 31 Ca 0.02277454541775 0.38786447744628 0.81772611886949 40.078 > 8 32 Ca 0.52277454541775 0.38786447744628 0.81772611886949 40.078 > 8 *33 Tl 0.47861488165608 0.61545437958996 0.43159067429921 204.383 > 9 34 Tl 0.97861488165608 0.61545437958996 0.43159067429921 204.383 > 9 35 Tl 0.47861488165608 0.61545437958996 0.93159067429921 204.383 > 9 36 Tl 0.97861488165608 0.61545437958996 0.93159067429921 204.383 > 9 *37 Tl 0.25000000000000 0.00000000000000 0.00000000000000 204.383 > 10 38 Tl 0.75000000000000 0.00000000000000 0.00000000000000 204.383 > 10 39 Tl 0.25000000000000 0.00000000000000 0.50000000000000 204.383 > 10 40 Tl 0.75000000000000 0.00000000000000 0.50000000000000 204.383 > 10 41 Tl 0.02138511834392 0.38454562041004 0.06840932570079 204.383 > 11 42 Tl 0.52138511834392 0.38454562041004 0.06840932570079 204.383 > 11 43 Tl 0.02138511834392 0.38454562041004 0.56840932570079 204.383 > 11 44 Tl 0.52138511834392 0.38454562041004 0.56840932570079 204.383 > 11 *45 Tl 0.25000000000000 0.50000000000000 0.00000000000000 204.383 > 12 46 Tl 0.75000000000000 0.50000000000000 0.00000000000000 204.383 > 12 47 Tl 0.25000000000000 0.50000000000000 0.50000000000000 204.383 > 12 48 Tl 0.75000000000000 0.50000000000000 0.50000000000000 204.383 > 12 49 Tl 0.47861488165608 0.88454562041004 0.18159067429921 204.383 > 13 50 Tl 0.97861488165608 0.88454562041004 0.18159067429921 204.383 > 13 51 Tl 0.47861488165608 0.88454562041004 0.68159067429921 204.383 > 13 52 Tl 0.97861488165608 0.88454562041004 0.68159067429921 204.383 > 13 53 Tl 0.25000000000000 0.50000000000000 0.25000000000000 204.383 > 14 54 Tl 0.75000000000000 0.50000000000000 0.25000000000000 204.383 > 14 55 Tl 0.25000000000000 0.50000000000000 0.75000000000000 204.383 > 14 56 Tl 0.75000000000000 0.50000000000000 0.75000000000000 204.383 > 14 57 Tl 0.02138511834392 0.11545437958996 0.31840932570079 204.383 > 15 58 Tl 0.52138511834392 0.11545437958996 0.31840932570079 204.383 > 15 59 Tl 0.02138511834392 0.11545437958996 0.81840932570079 204.383 > 15 60 Tl 0.52138511834392 0.11545437958996 0.81840932570079 204.383 > 15 61 Tl 0.25000000000000 0.00000000000000 0.25000000000000 204.383 > 16 62 Tl 0.75000000000000 0.00000000000000 0.25000000000000 204.383 > 16 63 Tl 0.25000000000000 0.00000000000000 0.75000000000000 204.383 > 16 64 Tl 0.75000000000000 0.00000000000000 0.75000000000000 204.383 > 16 *65 O 0.16642026415695 0.35551785735619 0.47907766674296 15.999 > 17 66 O 0.66642026415695 0.35551785735619 0.47907766674296 15.999 > 17 67 O 0.16642026415695 0.35551785735619 0.97907766674296 15.999 > 17 68 O 0.66642026415695 0.35551785735619 0.97907766674296 15.999 > 17 *69 O 0.16979052582192 0.14523850882806 0.48149448991903 15.999 > 18 70 O 0.66979052582192 0.14523850882806 0.48149448991903 15.999 > 18 71 O 0.16979052582192 0.14523850882806 0.98149448991903 15.999 > 18 72 O 0.66979052582192 0.14523850882806 0.98149448991903 15.999 > 18 *73 O 0.08041632746896 0.74657044713348 0.45892407476417 15.999 > 19 74 O 0.58041632746896 0.74657044713348 0.45892407476417 15.999 > 19 75 O 0.08041632746896 0.74657044713348 0.95892407476417 15.999 > 19 76 O 0.58041632746896 0.74657044713348 0.95892407476417 15.999 > 19 *77 O 0.38843802520062 0.05306688243890 0.41044391262815 15.999 > 20 78 O 0.88843802520062 0.05306688243890 0.41044391262815 15.999 > 20 79 O 0.38843802520062 0.05306688243890 0.91044391262815 15.999 > 20 80 O 0.88843802520062 0.05306688243890 0.91044391262815 15.999 > 20 *81 O 0.39736031032695 0.46231534698304 0.41070514494588 15.999 > 21 82 O 0.89736031032695 0.46231534698304 0.41070514494588 15.999 > 21 83 O 0.39736031032695 0.46231534698304 0.91070514494588 15.999 > 21 84 O 0.89736031032695 0.46231534698304 0.91070514494588 15.999 > 21 85 O 0.11156197479938 0.94693311756109 0.08955608737185 15.999 > 22 86 O 0.61156197479938 0.94693311756109 0.08955608737185 15.999 > 22 87 O 0.11156197479938 0.94693311756109 0.58955608737185 15.999 > 22 88 O 0.61156197479938 0.94693311756109 0.58955608737185 15.999 > 22 89 O 0.41958367253104 0.25342955286652 0.04107592523583 15.999 > 23 90 O 0.91958367253104 0.25342955286652 0.04107592523583 15.999 > 23 91 O 0.41958367253104 0.25342955286652 0.54107592523583 15.999 > 23 92 O 0.91958367253104 0.25342955286652 0.54107592523583 15.999 > 23 93 O 0.33357973584305 0.64448214264381 0.02092233325704 15.999 > 24 94 O 0.83357973584305 0.64448214264381 0.02092233325704 15.999 > 24 95 O 0.33357973584305 0.64448214264381 0.52092233325704 15.999 > 24 96 O 0.83357973584305 0.64448214264381 0.52092233325704 15.999 > 24 97 O 0.33020947417808 0.85476149117194 0.01850551008097 15.999 > 25 98 O 0.83020947417808 0.85476149117194 0.01850551008097 15.999 > 25 99 O 0.33020947417808 0.85476149117194 0.51850551008097 15.999 > 25 100 O 0.83020947417808 0.85476149117194 0.51850551008097 15.999 > 25 101 O 0.10263968967305 0.53768465301696 0.08929485505412 15.999 > 26 102 O 0.60263968967305 0.53768465301696 0.08929485505412 15.999 > 26 103 O 0.10263968967305 0.53768465301696 0.58929485505412 15.999 > 26 104 O 0.60263968967305 0.53768465301696 0.58929485505412 15.999 > 26 105 O 0.16642026415695 0.14448214264381 0.22907766674296 15.999 > 27 106 O 0.66642026415695 0.14448214264381 0.22907766674296 15.999 > 27 107 O 0.16642026415695 0.14448214264381 0.72907766674296 15.999 > 27 108 O 0.66642026415695 0.14448214264381 0.72907766674296 15.999 > 27 109 O 0.16979052582192 0.35476149117194 0.23149448991904 15.999 > 28 110 O 0.66979052582192 0.35476149117194 0.23149448991904 15.999 > 28 111 O 0.16979052582192 0.35476149117194 0.73149448991903 15.999 > 28 112 O 0.66979052582192 0.35476149117194 0.73149448991903 15.999 > 28 113 O 0.38843802520062 0.44693311756110 0.16044391262815 15.999 > 29 114 O 0.88843802520062 0.44693311756110 0.16044391262815 15.999 > 29 115 O 0.38843802520062 0.44693311756110 0.66044391262815 15.999 > 29 116 O 0.88843802520062 0.44693311756110 0.66044391262815 15.999 > 29 117 O 0.08041632746896 0.75342955286652 0.20892407476417 15.999 > 30 118 O 0.58041632746896 0.75342955286652 0.20892407476417 15.999 > 30 119 O 0.08041632746896 0.75342955286652 0.70892407476417 15.999 > 30 120 O 0.58041632746896 0.75342955286652 0.70892407476417 15.999 > 30 121 O 0.39736031032695 0.03768465301696 0.16070514494588 15.999 > 31 122 O 0.89736031032695 0.03768465301696 0.16070514494588 15.999 > 31 123 O 0.39736031032695 0.03768465301696 0.66070514494588 15.999 > 31 124 O 0.89736031032695 0.03768465301696 0.66070514494588 15.999 > 31 125 O 0.10263968967305 0.96231534698304 0.33929485505412 15.999 > 32 126 O 0.60263968967305 0.96231534698304 0.33929485505412 15.999 > 32 127 O 0.10263968967305 0.96231534698304 0.83929485505412 15.999 > 32 128 O 0.60263968967305 0.96231534698304 0.83929485505412 15.999 > 32 129 O 0.11156197479938 0.55306688243891 0.33955608737185 15.999 > 33 130 O 0.61156197479938 0.55306688243891 0.33955608737185 15.999 > 33 131 O 0.11156197479938 0.55306688243891 0.83955608737185 15.999 > 33 132 O 0.61156197479938 0.55306688243891 0.83955608737185 15.999 > 33 133 O 0.33357973584305 0.85551785735619 0.27092233325704 15.999 > 34 134 O 0.83357973584305 0.85551785735619 0.27092233325704 15.999 > 34 135 O 0.33357973584305 0.85551785735619 0.77092233325704 15.999 > 34 136 O 0.83357973584305 0.85551785735619 0.77092233325704 15.999 > 34 137 O 0.33020947417808 0.64523850882806 0.26850551008097 15.999 > 35 138 O 0.83020947417808 0.64523850882806 0.26850551008097 15.999 > 35 139 O 0.33020947417808 0.64523850882806 0.76850551008097 15.999 > 35 140 O 0.83020947417808 0.64523850882806 0.76850551008097 15.999 > 35 141 O 0.41958367253104 0.24657044713348 0.29107592523583 15.999 > 36 142 O 0.91958367253104 0.24657044713348 0.29107592523583 15.999 > 36 143 O 0.41958367253104 0.24657044713348 0.79107592523583 15.999 > 36 144 O 0.91958367253104 0.24657044713348 0.79107592523583 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1022513 0.0000000 -0.0401706 0.0000000 6.2149195 0.0000000 -0.0401727 0.0000000 5.8062226 -------------------------- Born effective charges -------------------------- 1 Ca 2.3181606 0.0842536 0.0066453 -0.4494214 2.4885184 -0.2114700 0.0278409 -0.0516972 2.6090844 2 Ca 2.4965810 0.0414682 -0.0372698 -0.0321878 2.6940156 0.5528161 -0.0285831 0.0849237 2.6333742 3 Ca 2.3181606 0.0842536 0.0066453 -0.4494214 2.4885184 -0.2114700 0.0278409 -0.0516972 2.6090844 4 Ca 2.4965810 0.0414682 -0.0372698 -0.0321878 2.6940156 0.5528161 -0.0285831 0.0849237 2.6333742 5 Ca 2.3181606 -0.0842536 0.0066453 0.4494214 2.4885184 0.2114700 0.0278409 0.0516972 2.6090844 6 Ca 2.4965810 -0.0414682 -0.0372698 0.0321878 2.6940156 -0.5528161 -0.0285831 -0.0849237 2.6333742 7 Ca 2.4965810 -0.0414682 -0.0372698 0.0321878 2.6940156 -0.5528161 -0.0285831 -0.0849237 2.6333742 8 Ca 2.3181606 -0.0842536 0.0066453 0.4494214 2.4885184 0.2114700 0.0278409 0.0516972 2.6090844 9 Tl 3.7198361 -0.0637534 -0.0221979 0.2831287 2.9231135 0.0268138 0.0045686 -0.1492676 3.1960170 10 Tl 3.6533927 0.0509774 -0.0937530 0.0532730 2.5022775 -0.2754837 -0.0927769 -0.5348795 3.8881282 11 Tl 3.7198361 -0.0637534 -0.0221979 0.2831287 2.9231135 0.0268138 0.0045686 -0.1492676 3.1960170 12 Tl 3.5773643 0.3619996 0.1007420 0.2140393 2.4521111 -0.2301634 -0.0066566 -0.3729844 3.1660658 13 Tl 3.7198361 0.0637534 -0.0221979 -0.2831287 2.9231135 -0.0268138 0.0045686 0.1492676 3.1960170 14 Tl 3.6533927 -0.0509774 -0.0937530 -0.0532730 2.5022775 0.2754837 -0.0927769 0.5348795 3.8881282 15 Tl 3.7198361 0.0637534 -0.0221979 -0.2831287 2.9231135 -0.0268138 0.0045686 0.1492676 3.1960170 16 Tl 3.5773643 -0.3619996 0.1007420 -0.2140393 2.4521111 0.2301634 -0.0066566 0.3729844 3.1660658 17 O -2.3052981 0.0510333 0.1608988 -0.0808661 -2.0784094 -0.0648161 0.1258177 0.0460368 -2.1171406 18 O -2.2856589 -0.1418600 -0.1706702 -0.0637219 -2.0983062 -0.1107886 -0.1058500 -0.0550855 -2.4593362 19 O -2.0952170 0.0192674 -0.0418638 -0.3596565 -2.8394816 -0.1537297 -0.0957031 -0.1753099 -1.9095771 20 O -2.8355766 -0.4116916 0.2075291 -0.3885120 -1.8269929 -0.0691956 0.2545778 0.0088398 -2.7031152 21 O -2.6282057 0.0378289 -0.1065661 0.1964054 -1.7396517 0.1519645 -0.1329520 0.2495183 -2.7764035 22 O -2.8355766 -0.4116916 0.2075291 -0.3885120 -1.8269929 -0.0691956 0.2545778 0.0088398 -2.7031152 23 O -2.0952170 0.0192674 -0.0418638 -0.3596565 -2.8394816 -0.1537297 -0.0957031 -0.1753099 -1.9095771 24 O -2.3052981 0.0510333 0.1608988 -0.0808661 -2.0784094 -0.0648161 0.1258177 0.0460368 -2.1171406 25 O -2.2856589 -0.1418600 -0.1706702 -0.0637219 -2.0983062 -0.1107886 -0.1058500 -0.0550855 -2.4593362 26 O -2.6282057 0.0378289 -0.1065661 0.1964054 -1.7396517 0.1519645 -0.1329520 0.2495183 -2.7764035 27 O -2.3052981 -0.0510333 0.1608988 0.0808661 -2.0784094 0.0648161 0.1258177 -0.0460368 -2.1171406 28 O -2.2856589 0.1418600 -0.1706702 0.0637219 -2.0983062 0.1107886 -0.1058500 0.0550855 -2.4593362 29 O -2.8355766 0.4116916 0.2075291 0.3885120 -1.8269929 0.0691956 0.2545778 -0.0088398 -2.7031152 30 O -2.0952170 -0.0192674 -0.0418638 0.3596565 -2.8394816 0.1537297 -0.0957031 0.1753099 -1.9095771 31 O -2.6282057 -0.0378289 -0.1065661 -0.1964054 -1.7396517 -0.1519645 -0.1329520 -0.2495183 -2.7764035 32 O -2.6282057 -0.0378289 -0.1065661 -0.1964054 -1.7396517 -0.1519645 -0.1329520 -0.2495183 -2.7764035 33 O -2.8355766 0.4116916 0.2075291 0.3885120 -1.8269929 0.0691956 0.2545778 -0.0088398 -2.7031152 34 O -2.3052981 -0.0510333 0.1608988 0.0808661 -2.0784094 0.0648161 0.1258177 -0.0460368 -2.1171406 35 O -2.2856589 0.1418600 -0.1706702 0.0637219 -2.0983062 0.1107886 -0.1058500 0.0550855 -2.4593362 36 O -2.0952170 -0.0192674 -0.0418638 0.3596565 -2.8394816 0.1537297 -0.0957031 0.1753099 -1.9095771 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6030 Number of blocks in projector: 6030 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1304 / 1304 (1) 285 eigenvectors found. (1) Complementary block size: 55 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1304 / 1304 (1) 285 eigenvectors found. (1) Complementary block size: 55 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1304 / 1304 (1) 292 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6030, 5941), data: False |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1304, 1285), data: False |-- (1304, 29), data: (1304, 48) @ (48, 29) |-- (304, 292), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True |-- (1304, 1284), data: False |-- (1304, 35), data: (1304, 55) @ (55, 35) |-- (304, 285), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (1304, 1284), data: False |-- (1304, 35), data: (1304, 55) @ (55, 35) |-- (304, 285), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.877 Solver_block: 200 / 1120 - Time: 1.660 Solver_block: 300 / 1120 - Time: 1.661 Solver_block: 400 / 1120 - Time: 1.661 Solver_block: 500 / 1120 - Time: 1.667 Solver_block: 600 / 1120 - Time: 1.662 Solver_block: 700 / 1120 - Time: 1.660 Solver_block: 800 / 1120 - Time: 1.662 Solver_block: 900 / 1120 - Time: 1.662 Solver_block: 1000 / 1120 - Time: 1.660 Solver_block: 1100 / 1120 - Time: 1.662 Solver_block: 1120 / 1120 - Time: 0.526 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.527 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6030 Number of blocks in projector: 6030 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1304 / 1304 (1) 285 eigenvectors found. (1) Complementary block size: 55 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1304 / 1304 (1) 285 eigenvectors found. (1) Complementary block size: 55 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1304 / 1304 (1) 292 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6030, 5941), data: False |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1304, 1285), data: False |-- (1304, 29), data: (1304, 48) @ (48, 29) |-- (304, 292), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True |-- (1304, 1284), data: False |-- (1304, 35), data: (1304, 55) @ (55, 35) |-- (304, 285), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (1304, 1284), data: False |-- (1304, 35), data: (1304, 55) @ (55, 35) |-- (304, 285), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:27:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:27:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.823465530084383 0.000000000000000 0.000000000000000 b 0.000000000000000 13.511947479999998 0.000000000000000 c -1.892676796474411 0.000000000000000 6.383252519114351 Atomic positions (fractional): 1 Ca 0.95445090916450 0.88786447744629 0.86454776226103 40.078 2 Ca 0.55861341172186 0.23909233320290 0.76305351669176 40.078 3 Ca 0.04554909083550 0.11213552255372 0.13545223773897 40.078 4 Ca 0.44138658827813 0.76090766679710 0.23694648330824 40.078 5 Ca 0.95445090916450 0.61213552255371 0.36454776226103 40.078 6 Ca 0.55861341172186 0.26090766679710 0.26305351669175 40.078 7 Ca 0.44138658827813 0.73909233320290 0.73694648330824 40.078 8 Ca 0.04554909083550 0.38786447744628 0.63545223773897 40.078 9 Tl 0.95722976331216 0.61545437958996 0.86318134859841 204.383 10 Tl 0.50000000000000 0.00000000000000 0.00000000000000 204.383 11 Tl 0.04277023668784 0.38454562041004 0.13681865140159 204.383 12 Tl 0.50000000000000 0.50000000000000 0.00000000000000 204.383 13 Tl 0.95722976331216 0.88454562041004 0.36318134859841 204.383 14 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 15 Tl 0.04277023668784 0.11545437958996 0.63681865140159 204.383 16 Tl 0.50000000000000 0.00000000000000 0.50000000000000 204.383 17 O 0.33284052831390 0.35551785735619 0.95815533348592 15.999 18 O 0.33958105164384 0.14523850882806 0.96298897983807 15.999 19 O 0.16083265493792 0.74657044713348 0.91784814952835 15.999 20 O 0.77687605040124 0.05306688243890 0.82088782525629 15.999 21 O 0.79472062065389 0.46231534698304 0.82141028989177 15.999 22 O 0.22312394959876 0.94693311756109 0.17911217474371 15.999 23 O 0.83916734506208 0.25342955286652 0.08215185047165 15.999 24 O 0.66715947168610 0.64448214264381 0.04184466651408 15.999 25 O 0.66041894835616 0.85476149117194 0.03701102016193 15.999 26 O 0.20527937934611 0.53768465301696 0.17858971010823 15.999 27 O 0.33284052831390 0.14448214264381 0.45815533348592 15.999 28 O 0.33958105164384 0.35476149117194 0.46298897983807 15.999 29 O 0.77687605040124 0.44693311756110 0.32088782525629 15.999 30 O 0.16083265493792 0.75342955286652 0.41784814952835 15.999 31 O 0.79472062065389 0.03768465301696 0.32141028989177 15.999 32 O 0.20527937934611 0.96231534698304 0.67858971010823 15.999 33 O 0.22312394959876 0.55306688243891 0.67911217474371 15.999 34 O 0.66715947168610 0.85551785735619 0.54184466651408 15.999 35 O 0.66041894835616 0.64523850882806 0.53701102016193 15.999 36 O 0.83916734506208 0.24657044713348 0.58215185047165 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.646931060168766 0.000000000000000 0.000000000000000 b 0.000000000000000 13.511947479999998 0.000000000000000 c -3.785353592948822 0.000000000000000 12.766505038228702 Atomic positions (fractional): 1 Ca 0.47722545458225 0.88786447744629 0.43227388113051 40.078 > 1 2 Ca 0.97722545458225 0.88786447744629 0.43227388113051 40.078 > 1 3 Ca 0.47722545458225 0.88786447744629 0.93227388113051 40.078 > 1 4 Ca 0.97722545458225 0.88786447744629 0.93227388113051 40.078 > 1 5 Ca 0.27930670586093 0.23909233320290 0.38152675834588 40.078 > 5 6 Ca 0.77930670586093 0.23909233320290 0.38152675834588 40.078 > 5 7 Ca 0.27930670586093 0.23909233320290 0.88152675834588 40.078 > 5 8 Ca 0.77930670586093 0.23909233320290 0.88152675834588 40.078 > 5 9 Ca 0.02277454541775 0.11213552255372 0.06772611886949 40.078 > 9 10 Ca 0.52277454541775 0.11213552255372 0.06772611886949 40.078 > 9 11 Ca 0.02277454541775 0.11213552255372 0.56772611886949 40.078 > 9 12 Ca 0.52277454541775 0.11213552255372 0.56772611886949 40.078 > 9 13 Ca 0.22069329413907 0.76090766679710 0.11847324165412 40.078 > 13 14 Ca 0.72069329413907 0.76090766679710 0.11847324165412 40.078 > 13 15 Ca 0.22069329413907 0.76090766679710 0.61847324165412 40.078 > 13 16 Ca 0.72069329413907 0.76090766679710 0.61847324165412 40.078 > 13 17 Ca 0.47722545458225 0.61213552255371 0.18227388113051 40.078 > 17 18 Ca 0.97722545458225 0.61213552255371 0.18227388113051 40.078 > 17 19 Ca 0.47722545458225 0.61213552255371 0.68227388113051 40.078 > 17 20 Ca 0.97722545458225 0.61213552255371 0.68227388113051 40.078 > 17 21 Ca 0.27930670586093 0.26090766679710 0.13152675834588 40.078 > 21 22 Ca 0.77930670586093 0.26090766679710 0.13152675834588 40.078 > 21 23 Ca 0.27930670586093 0.26090766679710 0.63152675834588 40.078 > 21 24 Ca 0.77930670586093 0.26090766679710 0.63152675834588 40.078 > 21 25 Ca 0.22069329413907 0.73909233320290 0.36847324165412 40.078 > 25 26 Ca 0.72069329413907 0.73909233320290 0.36847324165412 40.078 > 25 27 Ca 0.22069329413907 0.73909233320290 0.86847324165412 40.078 > 25 28 Ca 0.72069329413907 0.73909233320290 0.86847324165412 40.078 > 25 29 Ca 0.02277454541775 0.38786447744628 0.31772611886949 40.078 > 29 30 Ca 0.52277454541775 0.38786447744628 0.31772611886949 40.078 > 29 31 Ca 0.02277454541775 0.38786447744628 0.81772611886949 40.078 > 29 32 Ca 0.52277454541775 0.38786447744628 0.81772611886949 40.078 > 29 33 Tl 0.47861488165608 0.61545437958996 0.43159067429921 204.383 > 33 34 Tl 0.97861488165608 0.61545437958996 0.43159067429921 204.383 > 33 35 Tl 0.47861488165608 0.61545437958996 0.93159067429921 204.383 > 33 36 Tl 0.97861488165608 0.61545437958996 0.93159067429921 204.383 > 33 37 Tl 0.25000000000000 0.00000000000000 0.00000000000000 204.383 > 37 38 Tl 0.75000000000000 0.00000000000000 0.00000000000000 204.383 > 37 39 Tl 0.25000000000000 0.00000000000000 0.50000000000000 204.383 > 37 40 Tl 0.75000000000000 0.00000000000000 0.50000000000000 204.383 > 37 41 Tl 0.02138511834392 0.38454562041004 0.06840932570079 204.383 > 41 42 Tl 0.52138511834392 0.38454562041004 0.06840932570079 204.383 > 41 43 Tl 0.02138511834392 0.38454562041004 0.56840932570079 204.383 > 41 44 Tl 0.52138511834392 0.38454562041004 0.56840932570079 204.383 > 41 45 Tl 0.25000000000000 0.50000000000000 0.00000000000000 204.383 > 45 46 Tl 0.75000000000000 0.50000000000000 0.00000000000000 204.383 > 45 47 Tl 0.25000000000000 0.50000000000000 0.50000000000000 204.383 > 45 48 Tl 0.75000000000000 0.50000000000000 0.50000000000000 204.383 > 45 49 Tl 0.47861488165608 0.88454562041004 0.18159067429921 204.383 > 49 50 Tl 0.97861488165608 0.88454562041004 0.18159067429921 204.383 > 49 51 Tl 0.47861488165608 0.88454562041004 0.68159067429921 204.383 > 49 52 Tl 0.97861488165608 0.88454562041004 0.68159067429921 204.383 > 49 53 Tl 0.25000000000000 0.50000000000000 0.25000000000000 204.383 > 53 54 Tl 0.75000000000000 0.50000000000000 0.25000000000000 204.383 > 53 55 Tl 0.25000000000000 0.50000000000000 0.75000000000000 204.383 > 53 56 Tl 0.75000000000000 0.50000000000000 0.75000000000000 204.383 > 53 57 Tl 0.02138511834392 0.11545437958996 0.31840932570079 204.383 > 57 58 Tl 0.52138511834392 0.11545437958996 0.31840932570079 204.383 > 57 59 Tl 0.02138511834392 0.11545437958996 0.81840932570079 204.383 > 57 60 Tl 0.52138511834392 0.11545437958996 0.81840932570079 204.383 > 57 61 Tl 0.25000000000000 0.00000000000000 0.25000000000000 204.383 > 61 62 Tl 0.75000000000000 0.00000000000000 0.25000000000000 204.383 > 61 63 Tl 0.25000000000000 0.00000000000000 0.75000000000000 204.383 > 61 64 Tl 0.75000000000000 0.00000000000000 0.75000000000000 204.383 > 61 65 O 0.16642026415695 0.35551785735619 0.47907766674296 15.999 > 65 66 O 0.66642026415695 0.35551785735619 0.47907766674296 15.999 > 65 67 O 0.16642026415695 0.35551785735619 0.97907766674296 15.999 > 65 68 O 0.66642026415695 0.35551785735619 0.97907766674296 15.999 > 65 69 O 0.16979052582192 0.14523850882806 0.48149448991903 15.999 > 69 70 O 0.66979052582192 0.14523850882806 0.48149448991903 15.999 > 69 71 O 0.16979052582192 0.14523850882806 0.98149448991903 15.999 > 69 72 O 0.66979052582192 0.14523850882806 0.98149448991903 15.999 > 69 73 O 0.08041632746896 0.74657044713348 0.45892407476417 15.999 > 73 74 O 0.58041632746896 0.74657044713348 0.45892407476417 15.999 > 73 75 O 0.08041632746896 0.74657044713348 0.95892407476417 15.999 > 73 76 O 0.58041632746896 0.74657044713348 0.95892407476417 15.999 > 73 77 O 0.38843802520062 0.05306688243890 0.41044391262815 15.999 > 77 78 O 0.88843802520062 0.05306688243890 0.41044391262815 15.999 > 77 79 O 0.38843802520062 0.05306688243890 0.91044391262815 15.999 > 77 80 O 0.88843802520062 0.05306688243890 0.91044391262815 15.999 > 77 81 O 0.39736031032695 0.46231534698304 0.41070514494588 15.999 > 81 82 O 0.89736031032695 0.46231534698304 0.41070514494588 15.999 > 81 83 O 0.39736031032695 0.46231534698304 0.91070514494588 15.999 > 81 84 O 0.89736031032695 0.46231534698304 0.91070514494588 15.999 > 81 85 O 0.11156197479938 0.94693311756109 0.08955608737185 15.999 > 85 86 O 0.61156197479938 0.94693311756109 0.08955608737185 15.999 > 85 87 O 0.11156197479938 0.94693311756109 0.58955608737185 15.999 > 85 88 O 0.61156197479938 0.94693311756109 0.58955608737185 15.999 > 85 89 O 0.41958367253104 0.25342955286652 0.04107592523583 15.999 > 89 90 O 0.91958367253104 0.25342955286652 0.04107592523583 15.999 > 89 91 O 0.41958367253104 0.25342955286652 0.54107592523583 15.999 > 89 92 O 0.91958367253104 0.25342955286652 0.54107592523583 15.999 > 89 93 O 0.33357973584305 0.64448214264381 0.02092233325704 15.999 > 93 94 O 0.83357973584305 0.64448214264381 0.02092233325704 15.999 > 93 95 O 0.33357973584305 0.64448214264381 0.52092233325704 15.999 > 93 96 O 0.83357973584305 0.64448214264381 0.52092233325704 15.999 > 93 97 O 0.33020947417808 0.85476149117194 0.01850551008097 15.999 > 97 98 O 0.83020947417808 0.85476149117194 0.01850551008097 15.999 > 97 99 O 0.33020947417808 0.85476149117194 0.51850551008097 15.999 > 97 100 O 0.83020947417808 0.85476149117194 0.51850551008097 15.999 > 97 101 O 0.10263968967305 0.53768465301696 0.08929485505412 15.999 > 101 102 O 0.60263968967305 0.53768465301696 0.08929485505412 15.999 > 101 103 O 0.10263968967305 0.53768465301696 0.58929485505412 15.999 > 101 104 O 0.60263968967305 0.53768465301696 0.58929485505412 15.999 > 101 105 O 0.16642026415695 0.14448214264381 0.22907766674296 15.999 > 105 106 O 0.66642026415695 0.14448214264381 0.22907766674296 15.999 > 105 107 O 0.16642026415695 0.14448214264381 0.72907766674296 15.999 > 105 108 O 0.66642026415695 0.14448214264381 0.72907766674296 15.999 > 105 109 O 0.16979052582192 0.35476149117194 0.23149448991904 15.999 > 109 110 O 0.66979052582192 0.35476149117194 0.23149448991904 15.999 > 109 111 O 0.16979052582192 0.35476149117194 0.73149448991903 15.999 > 109 112 O 0.66979052582192 0.35476149117194 0.73149448991903 15.999 > 109 113 O 0.38843802520062 0.44693311756110 0.16044391262815 15.999 > 113 114 O 0.88843802520062 0.44693311756110 0.16044391262815 15.999 > 113 115 O 0.38843802520062 0.44693311756110 0.66044391262815 15.999 > 113 116 O 0.88843802520062 0.44693311756110 0.66044391262815 15.999 > 113 117 O 0.08041632746896 0.75342955286652 0.20892407476417 15.999 > 117 118 O 0.58041632746896 0.75342955286652 0.20892407476417 15.999 > 117 119 O 0.08041632746896 0.75342955286652 0.70892407476417 15.999 > 117 120 O 0.58041632746896 0.75342955286652 0.70892407476417 15.999 > 117 121 O 0.39736031032695 0.03768465301696 0.16070514494588 15.999 > 121 122 O 0.89736031032695 0.03768465301696 0.16070514494588 15.999 > 121 123 O 0.39736031032695 0.03768465301696 0.66070514494588 15.999 > 121 124 O 0.89736031032695 0.03768465301696 0.66070514494588 15.999 > 121 125 O 0.10263968967305 0.96231534698304 0.33929485505412 15.999 > 125 126 O 0.60263968967305 0.96231534698304 0.33929485505412 15.999 > 125 127 O 0.10263968967305 0.96231534698304 0.83929485505412 15.999 > 125 128 O 0.60263968967305 0.96231534698304 0.83929485505412 15.999 > 125 129 O 0.11156197479938 0.55306688243891 0.33955608737185 15.999 > 129 130 O 0.61156197479938 0.55306688243891 0.33955608737185 15.999 > 129 131 O 0.11156197479938 0.55306688243891 0.83955608737185 15.999 > 129 132 O 0.61156197479938 0.55306688243891 0.83955608737185 15.999 > 129 133 O 0.33357973584305 0.85551785735619 0.27092233325704 15.999 > 133 134 O 0.83357973584305 0.85551785735619 0.27092233325704 15.999 > 133 135 O 0.33357973584305 0.85551785735619 0.77092233325704 15.999 > 133 136 O 0.83357973584305 0.85551785735619 0.77092233325704 15.999 > 133 137 O 0.33020947417808 0.64523850882806 0.26850551008097 15.999 > 137 138 O 0.83020947417808 0.64523850882806 0.26850551008097 15.999 > 137 139 O 0.33020947417808 0.64523850882806 0.76850551008097 15.999 > 137 140 O 0.83020947417808 0.64523850882806 0.76850551008097 15.999 > 137 141 O 0.41958367253104 0.24657044713348 0.29107592523583 15.999 > 141 142 O 0.91958367253104 0.24657044713348 0.29107592523583 15.999 > 141 143 O 0.41958367253104 0.24657044713348 0.79107592523583 15.999 > 141 144 O 0.91958367253104 0.24657044713348 0.79107592523583 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1022513 0.0000000 -0.0401706 0.0000000 6.2149195 0.0000000 -0.0401727 0.0000000 5.8062226 -------------------------- Born effective charges -------------------------- 1 Ca 2.3181606 0.0842536 0.0066453 -0.4494214 2.4885184 -0.2114700 0.0278409 -0.0516972 2.6090844 2 Ca 2.4965810 0.0414682 -0.0372698 -0.0321878 2.6940156 0.5528161 -0.0285831 0.0849237 2.6333742 3 Ca 2.3181606 0.0842536 0.0066453 -0.4494214 2.4885184 -0.2114700 0.0278409 -0.0516972 2.6090844 4 Ca 2.4965810 0.0414682 -0.0372698 -0.0321878 2.6940156 0.5528161 -0.0285831 0.0849237 2.6333742 5 Ca 2.3181606 -0.0842536 0.0066453 0.4494214 2.4885184 0.2114700 0.0278409 0.0516972 2.6090844 6 Ca 2.4965810 -0.0414682 -0.0372698 0.0321878 2.6940156 -0.5528161 -0.0285831 -0.0849237 2.6333742 7 Ca 2.4965810 -0.0414682 -0.0372698 0.0321878 2.6940156 -0.5528161 -0.0285831 -0.0849237 2.6333742 8 Ca 2.3181606 -0.0842536 0.0066453 0.4494214 2.4885184 0.2114700 0.0278409 0.0516972 2.6090844 9 Tl 3.7198361 -0.0637534 -0.0221979 0.2831287 2.9231135 0.0268138 0.0045686 -0.1492676 3.1960170 10 Tl 3.6533927 0.0509774 -0.0937530 0.0532730 2.5022775 -0.2754837 -0.0927769 -0.5348795 3.8881282 11 Tl 3.7198361 -0.0637534 -0.0221979 0.2831287 2.9231135 0.0268138 0.0045686 -0.1492676 3.1960170 12 Tl 3.5773643 0.3619996 0.1007420 0.2140393 2.4521111 -0.2301634 -0.0066566 -0.3729844 3.1660658 13 Tl 3.7198361 0.0637534 -0.0221979 -0.2831287 2.9231135 -0.0268138 0.0045686 0.1492676 3.1960170 14 Tl 3.6533927 -0.0509774 -0.0937530 -0.0532730 2.5022775 0.2754837 -0.0927769 0.5348795 3.8881282 15 Tl 3.7198361 0.0637534 -0.0221979 -0.2831287 2.9231135 -0.0268138 0.0045686 0.1492676 3.1960170 16 Tl 3.5773643 -0.3619996 0.1007420 -0.2140393 2.4521111 0.2301634 -0.0066566 0.3729844 3.1660658 17 O -2.3052981 0.0510333 0.1608988 -0.0808661 -2.0784094 -0.0648161 0.1258177 0.0460368 -2.1171406 18 O -2.2856589 -0.1418600 -0.1706702 -0.0637219 -2.0983062 -0.1107886 -0.1058500 -0.0550855 -2.4593362 19 O -2.0952170 0.0192674 -0.0418638 -0.3596565 -2.8394816 -0.1537297 -0.0957031 -0.1753099 -1.9095771 20 O -2.8355766 -0.4116916 0.2075291 -0.3885120 -1.8269929 -0.0691956 0.2545778 0.0088398 -2.7031152 21 O -2.6282057 0.0378289 -0.1065661 0.1964054 -1.7396517 0.1519645 -0.1329520 0.2495183 -2.7764035 22 O -2.8355766 -0.4116916 0.2075291 -0.3885120 -1.8269929 -0.0691956 0.2545778 0.0088398 -2.7031152 23 O -2.0952170 0.0192674 -0.0418638 -0.3596565 -2.8394816 -0.1537297 -0.0957031 -0.1753099 -1.9095771 24 O -2.3052981 0.0510333 0.1608988 -0.0808661 -2.0784094 -0.0648161 0.1258177 0.0460368 -2.1171406 25 O -2.2856589 -0.1418600 -0.1706702 -0.0637219 -2.0983062 -0.1107886 -0.1058500 -0.0550855 -2.4593362 26 O -2.6282057 0.0378289 -0.1065661 0.1964054 -1.7396517 0.1519645 -0.1329520 0.2495183 -2.7764035 27 O -2.3052981 -0.0510333 0.1608988 0.0808661 -2.0784094 0.0648161 0.1258177 -0.0460368 -2.1171406 28 O -2.2856589 0.1418600 -0.1706702 0.0637219 -2.0983062 0.1107886 -0.1058500 0.0550855 -2.4593362 29 O -2.8355766 0.4116916 0.2075291 0.3885120 -1.8269929 0.0691956 0.2545778 -0.0088398 -2.7031152 30 O -2.0952170 -0.0192674 -0.0418638 0.3596565 -2.8394816 0.1537297 -0.0957031 0.1753099 -1.9095771 31 O -2.6282057 -0.0378289 -0.1065661 -0.1964054 -1.7396517 -0.1519645 -0.1329520 -0.2495183 -2.7764035 32 O -2.6282057 -0.0378289 -0.1065661 -0.1964054 -1.7396517 -0.1519645 -0.1329520 -0.2495183 -2.7764035 33 O -2.8355766 0.4116916 0.2075291 0.3885120 -1.8269929 0.0691956 0.2545778 -0.0088398 -2.7031152 34 O -2.3052981 -0.0510333 0.1608988 0.0808661 -2.0784094 0.0648161 0.1258177 -0.0460368 -2.1171406 35 O -2.2856589 0.1418600 -0.1706702 0.0637219 -2.0983062 0.1107886 -0.1058500 0.0550855 -2.4593362 36 O -2.0952170 -0.0192674 -0.0418638 0.3596565 -2.8394816 0.1537297 -0.0957031 0.1753099 -1.9095771 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 45, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 77, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 81, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:28:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:28:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.823465530084383 0.000000000000000 0.000000000000000 b 0.000000000000000 13.511947479999998 0.000000000000000 c -1.892676796474411 0.000000000000000 6.383252519114351 Atomic positions (fractional): 1 Ca 0.95445090916450 0.88786447744629 0.86454776226103 40.078 2 Ca 0.55861341172186 0.23909233320290 0.76305351669176 40.078 3 Ca 0.04554909083550 0.11213552255372 0.13545223773897 40.078 4 Ca 0.44138658827813 0.76090766679710 0.23694648330824 40.078 5 Ca 0.95445090916450 0.61213552255371 0.36454776226103 40.078 6 Ca 0.55861341172186 0.26090766679710 0.26305351669175 40.078 7 Ca 0.44138658827813 0.73909233320290 0.73694648330824 40.078 8 Ca 0.04554909083550 0.38786447744628 0.63545223773897 40.078 9 Tl 0.95722976331216 0.61545437958996 0.86318134859841 204.383 10 Tl 0.50000000000000 0.00000000000000 0.00000000000000 204.383 11 Tl 0.04277023668784 0.38454562041004 0.13681865140159 204.383 12 Tl 0.50000000000000 0.50000000000000 0.00000000000000 204.383 13 Tl 0.95722976331216 0.88454562041004 0.36318134859841 204.383 14 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 15 Tl 0.04277023668784 0.11545437958996 0.63681865140159 204.383 16 Tl 0.50000000000000 0.00000000000000 0.50000000000000 204.383 17 O 0.33284052831390 0.35551785735619 0.95815533348592 15.999 18 O 0.33958105164384 0.14523850882806 0.96298897983807 15.999 19 O 0.16083265493792 0.74657044713348 0.91784814952835 15.999 20 O 0.77687605040124 0.05306688243890 0.82088782525629 15.999 21 O 0.79472062065389 0.46231534698304 0.82141028989177 15.999 22 O 0.22312394959876 0.94693311756109 0.17911217474371 15.999 23 O 0.83916734506208 0.25342955286652 0.08215185047165 15.999 24 O 0.66715947168610 0.64448214264381 0.04184466651408 15.999 25 O 0.66041894835616 0.85476149117194 0.03701102016193 15.999 26 O 0.20527937934611 0.53768465301696 0.17858971010823 15.999 27 O 0.33284052831390 0.14448214264381 0.45815533348592 15.999 28 O 0.33958105164384 0.35476149117194 0.46298897983807 15.999 29 O 0.77687605040124 0.44693311756110 0.32088782525629 15.999 30 O 0.16083265493792 0.75342955286652 0.41784814952835 15.999 31 O 0.79472062065389 0.03768465301696 0.32141028989177 15.999 32 O 0.20527937934611 0.96231534698304 0.67858971010823 15.999 33 O 0.22312394959876 0.55306688243891 0.67911217474371 15.999 34 O 0.66715947168610 0.85551785735619 0.54184466651408 15.999 35 O 0.66041894835616 0.64523850882806 0.53701102016193 15.999 36 O 0.83916734506208 0.24657044713348 0.58215185047165 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.646931060168766 0.000000000000000 0.000000000000000 b 0.000000000000000 13.511947479999998 0.000000000000000 c -3.785353592948822 0.000000000000000 12.766505038228702 Atomic positions (fractional): 1 Ca 0.47722545458225 0.88786447744629 0.43227388113051 40.078 > 1 2 Ca 0.97722545458225 0.88786447744629 0.43227388113051 40.078 > 1 3 Ca 0.47722545458225 0.88786447744629 0.93227388113051 40.078 > 1 4 Ca 0.97722545458225 0.88786447744629 0.93227388113051 40.078 > 1 5 Ca 0.27930670586093 0.23909233320290 0.38152675834588 40.078 > 5 6 Ca 0.77930670586093 0.23909233320290 0.38152675834588 40.078 > 5 7 Ca 0.27930670586093 0.23909233320290 0.88152675834588 40.078 > 5 8 Ca 0.77930670586093 0.23909233320290 0.88152675834588 40.078 > 5 9 Ca 0.02277454541775 0.11213552255372 0.06772611886949 40.078 > 9 10 Ca 0.52277454541775 0.11213552255372 0.06772611886949 40.078 > 9 11 Ca 0.02277454541775 0.11213552255372 0.56772611886949 40.078 > 9 12 Ca 0.52277454541775 0.11213552255372 0.56772611886949 40.078 > 9 13 Ca 0.22069329413907 0.76090766679710 0.11847324165412 40.078 > 13 14 Ca 0.72069329413907 0.76090766679710 0.11847324165412 40.078 > 13 15 Ca 0.22069329413907 0.76090766679710 0.61847324165412 40.078 > 13 16 Ca 0.72069329413907 0.76090766679710 0.61847324165412 40.078 > 13 17 Ca 0.47722545458225 0.61213552255371 0.18227388113051 40.078 > 17 18 Ca 0.97722545458225 0.61213552255371 0.18227388113051 40.078 > 17 19 Ca 0.47722545458225 0.61213552255371 0.68227388113051 40.078 > 17 20 Ca 0.97722545458225 0.61213552255371 0.68227388113051 40.078 > 17 21 Ca 0.27930670586093 0.26090766679710 0.13152675834588 40.078 > 21 22 Ca 0.77930670586093 0.26090766679710 0.13152675834588 40.078 > 21 23 Ca 0.27930670586093 0.26090766679710 0.63152675834588 40.078 > 21 24 Ca 0.77930670586093 0.26090766679710 0.63152675834588 40.078 > 21 25 Ca 0.22069329413907 0.73909233320290 0.36847324165412 40.078 > 25 26 Ca 0.72069329413907 0.73909233320290 0.36847324165412 40.078 > 25 27 Ca 0.22069329413907 0.73909233320290 0.86847324165412 40.078 > 25 28 Ca 0.72069329413907 0.73909233320290 0.86847324165412 40.078 > 25 29 Ca 0.02277454541775 0.38786447744628 0.31772611886949 40.078 > 29 30 Ca 0.52277454541775 0.38786447744628 0.31772611886949 40.078 > 29 31 Ca 0.02277454541775 0.38786447744628 0.81772611886949 40.078 > 29 32 Ca 0.52277454541775 0.38786447744628 0.81772611886949 40.078 > 29 33 Tl 0.47861488165608 0.61545437958996 0.43159067429921 204.383 > 33 34 Tl 0.97861488165608 0.61545437958996 0.43159067429921 204.383 > 33 35 Tl 0.47861488165608 0.61545437958996 0.93159067429921 204.383 > 33 36 Tl 0.97861488165608 0.61545437958996 0.93159067429921 204.383 > 33 37 Tl 0.25000000000000 0.00000000000000 0.00000000000000 204.383 > 37 38 Tl 0.75000000000000 0.00000000000000 0.00000000000000 204.383 > 37 39 Tl 0.25000000000000 0.00000000000000 0.50000000000000 204.383 > 37 40 Tl 0.75000000000000 0.00000000000000 0.50000000000000 204.383 > 37 41 Tl 0.02138511834392 0.38454562041004 0.06840932570079 204.383 > 41 42 Tl 0.52138511834392 0.38454562041004 0.06840932570079 204.383 > 41 43 Tl 0.02138511834392 0.38454562041004 0.56840932570079 204.383 > 41 44 Tl 0.52138511834392 0.38454562041004 0.56840932570079 204.383 > 41 45 Tl 0.25000000000000 0.50000000000000 0.00000000000000 204.383 > 45 46 Tl 0.75000000000000 0.50000000000000 0.00000000000000 204.383 > 45 47 Tl 0.25000000000000 0.50000000000000 0.50000000000000 204.383 > 45 48 Tl 0.75000000000000 0.50000000000000 0.50000000000000 204.383 > 45 49 Tl 0.47861488165608 0.88454562041004 0.18159067429921 204.383 > 49 50 Tl 0.97861488165608 0.88454562041004 0.18159067429921 204.383 > 49 51 Tl 0.47861488165608 0.88454562041004 0.68159067429921 204.383 > 49 52 Tl 0.97861488165608 0.88454562041004 0.68159067429921 204.383 > 49 53 Tl 0.25000000000000 0.50000000000000 0.25000000000000 204.383 > 53 54 Tl 0.75000000000000 0.50000000000000 0.25000000000000 204.383 > 53 55 Tl 0.25000000000000 0.50000000000000 0.75000000000000 204.383 > 53 56 Tl 0.75000000000000 0.50000000000000 0.75000000000000 204.383 > 53 57 Tl 0.02138511834392 0.11545437958996 0.31840932570079 204.383 > 57 58 Tl 0.52138511834392 0.11545437958996 0.31840932570079 204.383 > 57 59 Tl 0.02138511834392 0.11545437958996 0.81840932570079 204.383 > 57 60 Tl 0.52138511834392 0.11545437958996 0.81840932570079 204.383 > 57 61 Tl 0.25000000000000 0.00000000000000 0.25000000000000 204.383 > 61 62 Tl 0.75000000000000 0.00000000000000 0.25000000000000 204.383 > 61 63 Tl 0.25000000000000 0.00000000000000 0.75000000000000 204.383 > 61 64 Tl 0.75000000000000 0.00000000000000 0.75000000000000 204.383 > 61 65 O 0.16642026415695 0.35551785735619 0.47907766674296 15.999 > 65 66 O 0.66642026415695 0.35551785735619 0.47907766674296 15.999 > 65 67 O 0.16642026415695 0.35551785735619 0.97907766674296 15.999 > 65 68 O 0.66642026415695 0.35551785735619 0.97907766674296 15.999 > 65 69 O 0.16979052582192 0.14523850882806 0.48149448991903 15.999 > 69 70 O 0.66979052582192 0.14523850882806 0.48149448991903 15.999 > 69 71 O 0.16979052582192 0.14523850882806 0.98149448991903 15.999 > 69 72 O 0.66979052582192 0.14523850882806 0.98149448991903 15.999 > 69 73 O 0.08041632746896 0.74657044713348 0.45892407476417 15.999 > 73 74 O 0.58041632746896 0.74657044713348 0.45892407476417 15.999 > 73 75 O 0.08041632746896 0.74657044713348 0.95892407476417 15.999 > 73 76 O 0.58041632746896 0.74657044713348 0.95892407476417 15.999 > 73 77 O 0.38843802520062 0.05306688243890 0.41044391262815 15.999 > 77 78 O 0.88843802520062 0.05306688243890 0.41044391262815 15.999 > 77 79 O 0.38843802520062 0.05306688243890 0.91044391262815 15.999 > 77 80 O 0.88843802520062 0.05306688243890 0.91044391262815 15.999 > 77 81 O 0.39736031032695 0.46231534698304 0.41070514494588 15.999 > 81 82 O 0.89736031032695 0.46231534698304 0.41070514494588 15.999 > 81 83 O 0.39736031032695 0.46231534698304 0.91070514494588 15.999 > 81 84 O 0.89736031032695 0.46231534698304 0.91070514494588 15.999 > 81 85 O 0.11156197479938 0.94693311756109 0.08955608737185 15.999 > 85 86 O 0.61156197479938 0.94693311756109 0.08955608737185 15.999 > 85 87 O 0.11156197479938 0.94693311756109 0.58955608737185 15.999 > 85 88 O 0.61156197479938 0.94693311756109 0.58955608737185 15.999 > 85 89 O 0.41958367253104 0.25342955286652 0.04107592523583 15.999 > 89 90 O 0.91958367253104 0.25342955286652 0.04107592523583 15.999 > 89 91 O 0.41958367253104 0.25342955286652 0.54107592523583 15.999 > 89 92 O 0.91958367253104 0.25342955286652 0.54107592523583 15.999 > 89 93 O 0.33357973584305 0.64448214264381 0.02092233325704 15.999 > 93 94 O 0.83357973584305 0.64448214264381 0.02092233325704 15.999 > 93 95 O 0.33357973584305 0.64448214264381 0.52092233325704 15.999 > 93 96 O 0.83357973584305 0.64448214264381 0.52092233325704 15.999 > 93 97 O 0.33020947417808 0.85476149117194 0.01850551008097 15.999 > 97 98 O 0.83020947417808 0.85476149117194 0.01850551008097 15.999 > 97 99 O 0.33020947417808 0.85476149117194 0.51850551008097 15.999 > 97 100 O 0.83020947417808 0.85476149117194 0.51850551008097 15.999 > 97 101 O 0.10263968967305 0.53768465301696 0.08929485505412 15.999 > 101 102 O 0.60263968967305 0.53768465301696 0.08929485505412 15.999 > 101 103 O 0.10263968967305 0.53768465301696 0.58929485505412 15.999 > 101 104 O 0.60263968967305 0.53768465301696 0.58929485505412 15.999 > 101 105 O 0.16642026415695 0.14448214264381 0.22907766674296 15.999 > 105 106 O 0.66642026415695 0.14448214264381 0.22907766674296 15.999 > 105 107 O 0.16642026415695 0.14448214264381 0.72907766674296 15.999 > 105 108 O 0.66642026415695 0.14448214264381 0.72907766674296 15.999 > 105 109 O 0.16979052582192 0.35476149117194 0.23149448991904 15.999 > 109 110 O 0.66979052582192 0.35476149117194 0.23149448991904 15.999 > 109 111 O 0.16979052582192 0.35476149117194 0.73149448991903 15.999 > 109 112 O 0.66979052582192 0.35476149117194 0.73149448991903 15.999 > 109 113 O 0.38843802520062 0.44693311756110 0.16044391262815 15.999 > 113 114 O 0.88843802520062 0.44693311756110 0.16044391262815 15.999 > 113 115 O 0.38843802520062 0.44693311756110 0.66044391262815 15.999 > 113 116 O 0.88843802520062 0.44693311756110 0.66044391262815 15.999 > 113 117 O 0.08041632746896 0.75342955286652 0.20892407476417 15.999 > 117 118 O 0.58041632746896 0.75342955286652 0.20892407476417 15.999 > 117 119 O 0.08041632746896 0.75342955286652 0.70892407476417 15.999 > 117 120 O 0.58041632746896 0.75342955286652 0.70892407476417 15.999 > 117 121 O 0.39736031032695 0.03768465301696 0.16070514494588 15.999 > 121 122 O 0.89736031032695 0.03768465301696 0.16070514494588 15.999 > 121 123 O 0.39736031032695 0.03768465301696 0.66070514494588 15.999 > 121 124 O 0.89736031032695 0.03768465301696 0.66070514494588 15.999 > 121 125 O 0.10263968967305 0.96231534698304 0.33929485505412 15.999 > 125 126 O 0.60263968967305 0.96231534698304 0.33929485505412 15.999 > 125 127 O 0.10263968967305 0.96231534698304 0.83929485505412 15.999 > 125 128 O 0.60263968967305 0.96231534698304 0.83929485505412 15.999 > 125 129 O 0.11156197479938 0.55306688243891 0.33955608737185 15.999 > 129 130 O 0.61156197479938 0.55306688243891 0.33955608737185 15.999 > 129 131 O 0.11156197479938 0.55306688243891 0.83955608737185 15.999 > 129 132 O 0.61156197479938 0.55306688243891 0.83955608737185 15.999 > 129 133 O 0.33357973584305 0.85551785735619 0.27092233325704 15.999 > 133 134 O 0.83357973584305 0.85551785735619 0.27092233325704 15.999 > 133 135 O 0.33357973584305 0.85551785735619 0.77092233325704 15.999 > 133 136 O 0.83357973584305 0.85551785735619 0.77092233325704 15.999 > 133 137 O 0.33020947417808 0.64523850882806 0.26850551008097 15.999 > 137 138 O 0.83020947417808 0.64523850882806 0.26850551008097 15.999 > 137 139 O 0.33020947417808 0.64523850882806 0.76850551008097 15.999 > 137 140 O 0.83020947417808 0.64523850882806 0.76850551008097 15.999 > 137 141 O 0.41958367253104 0.24657044713348 0.29107592523583 15.999 > 141 142 O 0.91958367253104 0.24657044713348 0.29107592523583 15.999 > 141 143 O 0.41958367253104 0.24657044713348 0.79107592523583 15.999 > 141 144 O 0.91958367253104 0.24657044713348 0.79107592523583 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1022513 0.0000000 -0.0401706 0.0000000 6.2149195 0.0000000 -0.0401727 0.0000000 5.8062226 -------------------------- Born effective charges -------------------------- 1 Ca 2.3181606 0.0842536 0.0066453 -0.4494214 2.4885184 -0.2114700 0.0278409 -0.0516972 2.6090844 2 Ca 2.4965810 0.0414682 -0.0372698 -0.0321878 2.6940156 0.5528161 -0.0285831 0.0849237 2.6333742 3 Ca 2.3181606 0.0842536 0.0066453 -0.4494214 2.4885184 -0.2114700 0.0278409 -0.0516972 2.6090844 4 Ca 2.4965810 0.0414682 -0.0372698 -0.0321878 2.6940156 0.5528161 -0.0285831 0.0849237 2.6333742 5 Ca 2.3181606 -0.0842536 0.0066453 0.4494214 2.4885184 0.2114700 0.0278409 0.0516972 2.6090844 6 Ca 2.4965810 -0.0414682 -0.0372698 0.0321878 2.6940156 -0.5528161 -0.0285831 -0.0849237 2.6333742 7 Ca 2.4965810 -0.0414682 -0.0372698 0.0321878 2.6940156 -0.5528161 -0.0285831 -0.0849237 2.6333742 8 Ca 2.3181606 -0.0842536 0.0066453 0.4494214 2.4885184 0.2114700 0.0278409 0.0516972 2.6090844 9 Tl 3.7198361 -0.0637534 -0.0221979 0.2831287 2.9231135 0.0268138 0.0045686 -0.1492676 3.1960170 10 Tl 3.6533927 0.0509774 -0.0937530 0.0532730 2.5022775 -0.2754837 -0.0927769 -0.5348795 3.8881282 11 Tl 3.7198361 -0.0637534 -0.0221979 0.2831287 2.9231135 0.0268138 0.0045686 -0.1492676 3.1960170 12 Tl 3.5773643 0.3619996 0.1007420 0.2140393 2.4521111 -0.2301634 -0.0066566 -0.3729844 3.1660658 13 Tl 3.7198361 0.0637534 -0.0221979 -0.2831287 2.9231135 -0.0268138 0.0045686 0.1492676 3.1960170 14 Tl 3.6533927 -0.0509774 -0.0937530 -0.0532730 2.5022775 0.2754837 -0.0927769 0.5348795 3.8881282 15 Tl 3.7198361 0.0637534 -0.0221979 -0.2831287 2.9231135 -0.0268138 0.0045686 0.1492676 3.1960170 16 Tl 3.5773643 -0.3619996 0.1007420 -0.2140393 2.4521111 0.2301634 -0.0066566 0.3729844 3.1660658 17 O -2.3052981 0.0510333 0.1608988 -0.0808661 -2.0784094 -0.0648161 0.1258177 0.0460368 -2.1171406 18 O -2.2856589 -0.1418600 -0.1706702 -0.0637219 -2.0983062 -0.1107886 -0.1058500 -0.0550855 -2.4593362 19 O -2.0952170 0.0192674 -0.0418638 -0.3596565 -2.8394816 -0.1537297 -0.0957031 -0.1753099 -1.9095771 20 O -2.8355766 -0.4116916 0.2075291 -0.3885120 -1.8269929 -0.0691956 0.2545778 0.0088398 -2.7031152 21 O -2.6282057 0.0378289 -0.1065661 0.1964054 -1.7396517 0.1519645 -0.1329520 0.2495183 -2.7764035 22 O -2.8355766 -0.4116916 0.2075291 -0.3885120 -1.8269929 -0.0691956 0.2545778 0.0088398 -2.7031152 23 O -2.0952170 0.0192674 -0.0418638 -0.3596565 -2.8394816 -0.1537297 -0.0957031 -0.1753099 -1.9095771 24 O -2.3052981 0.0510333 0.1608988 -0.0808661 -2.0784094 -0.0648161 0.1258177 0.0460368 -2.1171406 25 O -2.2856589 -0.1418600 -0.1706702 -0.0637219 -2.0983062 -0.1107886 -0.1058500 -0.0550855 -2.4593362 26 O -2.6282057 0.0378289 -0.1065661 0.1964054 -1.7396517 0.1519645 -0.1329520 0.2495183 -2.7764035 27 O -2.3052981 -0.0510333 0.1608988 0.0808661 -2.0784094 0.0648161 0.1258177 -0.0460368 -2.1171406 28 O -2.2856589 0.1418600 -0.1706702 0.0637219 -2.0983062 0.1107886 -0.1058500 0.0550855 -2.4593362 29 O -2.8355766 0.4116916 0.2075291 0.3885120 -1.8269929 0.0691956 0.2545778 -0.0088398 -2.7031152 30 O -2.0952170 -0.0192674 -0.0418638 0.3596565 -2.8394816 0.1537297 -0.0957031 0.1753099 -1.9095771 31 O -2.6282057 -0.0378289 -0.1065661 -0.1964054 -1.7396517 -0.1519645 -0.1329520 -0.2495183 -2.7764035 32 O -2.6282057 -0.0378289 -0.1065661 -0.1964054 -1.7396517 -0.1519645 -0.1329520 -0.2495183 -2.7764035 33 O -2.8355766 0.4116916 0.2075291 0.3885120 -1.8269929 0.0691956 0.2545778 -0.0088398 -2.7031152 34 O -2.3052981 -0.0510333 0.1608988 0.0808661 -2.0784094 0.0648161 0.1258177 -0.0460368 -2.1171406 35 O -2.2856589 0.1418600 -0.1706702 0.0637219 -2.0983062 0.1107886 -0.1058500 0.0550855 -2.4593362 36 O -2.0952170 -0.0192674 -0.0418638 0.3596565 -2.8394816 0.1537297 -0.0957031 0.1753099 -1.9095771 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 8 ] 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: 0.52, Number of G-points: 301, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/111) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 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 0.809 ( 0.000 0.000 0.000) 0.000 1.509 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.676 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.174 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.623 ( 0.000 0.000 0.000) 0.000 8.633 ( 0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 9.334 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.447 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.706 ( 0.000 0.000 0.000) 0.000 9.725 ( 0.000 0.000 0.000) 0.000 9.781 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.962 ( 0.000 0.000 0.000) 0.000 11.128 ( 0.000 0.000 0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 11.192 ( 0.000 0.000 0.000) 0.000 11.300 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 11.542 ( 0.000 0.000 0.000) 0.000 11.720 ( 0.000 0.000 0.000) 0.000 11.736 ( 0.000 0.000 0.000) 0.000 11.933 ( 0.000 0.000 0.000) 0.000 11.940 ( 0.000 0.000 0.000) 0.000 12.346 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.654 ( 0.000 0.000 0.000) 0.000 12.782 ( 0.000 0.000 0.000) 0.000 12.832 ( 0.000 0.000 0.000) 0.000 12.918 ( 0.000 0.000 0.000) 0.000 13.019 ( 0.000 0.000 0.000) 0.000 13.432 ( 0.000 0.000 0.000) 0.000 13.701 ( 0.000 0.000 0.000) 0.000 13.774 ( 0.000 0.000 0.000) 0.000 14.139 ( 0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 0.000) 0.000 15.131 ( 0.000 0.000 0.000) 0.000 15.237 ( 0.000 0.000 0.000) 0.000 15.352 ( 0.000 0.000 0.000) 0.000 15.460 ( 0.000 0.000 0.000) 0.000 16.650 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/111) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 23.316 0.000 4.483) 23.743 0.506 ( 24.053 0.000 4.978) 24.563 0.907 ( 9.049 0.000 1.788) 9.224 0.983 ( 45.453 0.000 14.196) 47.618 1.542 ( 3.676 0.000 1.676) 4.040 1.911 ( -6.237 0.000 -3.992) 7.405 2.094 ( -1.143 0.000 -0.369) 1.201 2.178 ( -0.762 0.000 3.534) 3.615 2.185 ( -0.907 0.000 -1.019) 1.365 2.200 ( -0.592 0.000 0.974) 1.140 2.310 ( 0.427 0.000 -0.279) 0.510 2.334 ( -1.712 0.000 -0.493) 1.781 2.412 ( 1.008 0.000 2.539) 2.732 2.532 ( -6.183 0.000 -1.480) 6.358 2.698 ( 1.985 0.000 1.835) 2.703 2.761 ( 3.064 0.000 -1.934) 3.623 2.813 ( -0.079 0.000 -2.275) 2.277 2.991 ( -0.358 0.000 4.731) 4.745 3.051 ( 0.211 0.000 1.786) 1.798 3.123 ( 1.171 0.000 -0.565) 1.300 3.181 ( 0.821 0.000 -1.487) 1.698 3.207 ( 2.721 0.000 -0.478) 2.762 3.315 ( -3.080 0.000 -5.010) 5.881 3.355 ( -1.620 0.000 3.329) 3.703 3.432 ( -0.349 0.000 4.815) 4.828 3.791 ( 3.612 0.000 2.361) 4.315 3.894 ( -10.124 0.000 -3.601) 10.746 4.198 ( -2.473 0.000 -0.142) 2.477 4.198 ( -2.157 0.000 0.615) 2.243 4.308 ( 0.422 0.000 -2.535) 2.570 4.622 ( 2.343 0.000 0.126) 2.347 4.878 ( -3.295 0.000 -10.392) 10.901 4.945 ( -2.209 0.000 1.514) 2.678 5.445 ( 0.029 0.000 4.315) 4.315 5.578 ( -1.414 0.000 -3.618) 3.885 5.607 ( -0.356 0.000 7.272) 7.281 5.660 ( -2.403 0.000 1.944) 3.091 5.794 ( 7.572 0.000 0.855) 7.620 5.926 ( -0.762 0.000 -6.139) 6.187 6.057 ( 2.125 0.000 -3.178) 3.823 6.108 ( -2.484 0.000 1.281) 2.795 6.261 ( -3.650 0.000 -2.323) 4.326 6.616 ( -7.197 0.000 -0.759) 7.237 6.767 ( 1.099 0.000 -0.360) 1.157 6.820 ( 3.635 0.000 -4.766) 5.994 6.883 ( 2.346 0.000 -1.757) 2.931 6.928 ( 1.981 0.000 2.321) 3.051 6.928 ( -5.107 0.000 13.624) 14.550 7.041 ( 3.856 0.000 -2.000) 4.344 7.395 ( 4.022 0.000 1.693) 4.364 7.411 ( -10.543 0.000 6.562) 12.418 7.477 ( 4.284 0.000 -3.591) 5.590 7.730 ( 5.738 0.000 7.870) 9.740 7.898 ( -0.686 0.000 18.399) 18.412 8.019 ( -0.630 0.000 -0.243) 0.675 8.047 ( -6.940 0.000 2.042) 7.234 8.142 ( -6.391 0.000 -9.403) 11.370 8.264 ( -0.853 0.000 -3.073) 3.189 8.282 ( 3.066 0.000 -12.694) 13.059 8.420 ( 0.700 0.000 -3.737) 3.802 8.424 ( 10.623 0.000 -0.270) 10.627 8.515 ( 5.845 0.000 -4.550) 7.407 8.607 ( 1.904 0.000 -1.705) 2.556 8.739 ( 0.109 0.000 1.584) 1.588 8.869 ( 0.303 0.000 3.460) 3.474 8.998 ( 7.192 0.000 -6.224) 9.511 9.005 ( 3.640 0.000 -3.111) 4.788 9.027 ( 0.868 0.000 -1.354) 1.608 9.156 ( 2.987 0.000 2.808) 4.100 9.299 ( 1.757 0.000 -2.450) 3.015 9.316 ( 1.077 0.000 -2.377) 2.610 9.374 ( -4.215 0.000 2.516) 4.909 9.430 ( -2.725 0.000 6.367) 6.926 9.585 ( 4.781 0.000 -2.525) 5.406 9.656 ( 1.925 0.000 2.191) 2.917 9.824 ( 4.849 0.000 10.735) 11.780 9.832 ( 4.999 0.000 -3.163) 5.916 10.020 ( -3.753 0.000 9.866) 10.556 10.202 ( 0.314 0.000 -0.155) 0.350 10.908 ( -2.716 0.000 -11.920) 12.225 10.991 ( -6.944 0.000 -1.185) 7.045 11.102 ( -9.476 0.000 -0.179) 9.477 11.150 ( -2.133 0.000 1.245) 2.470 11.284 ( -4.370 0.000 5.170) 6.769 11.383 ( -0.812 0.000 6.368) 6.419 11.568 ( 5.856 0.000 -7.192) 9.274 11.597 ( -8.751 0.000 -1.907) 8.957 11.731 ( -0.688 0.000 -6.176) 6.214 11.826 ( -3.569 0.000 -3.374) 4.911 12.019 ( 3.036 0.000 2.061) 3.669 12.427 ( 5.565 0.000 1.087) 5.670 12.450 ( 1.593 0.000 9.777) 9.906 12.498 ( 5.174 0.000 3.561) 6.281 12.766 ( 0.775 0.000 -2.611) 2.723 12.808 ( -0.588 0.000 -0.403) 0.713 12.869 ( 1.767 0.000 1.076) 2.069 13.004 ( -1.171 0.000 -0.475) 1.264 13.441 ( 0.557 0.000 0.967) 1.116 13.699 ( -0.225 0.000 -0.232) 0.323 13.818 ( 3.734 0.000 1.430) 3.998 14.074 ( -0.567 0.000 0.304) 0.643 14.142 ( -0.281 0.000 1.686) 1.709 14.298 ( -0.041 0.000 -0.175) 0.179 14.979 ( -8.422 0.000 -4.793) 9.690 15.393 ( 7.874 0.000 5.450) 9.576 15.446 ( -1.223 0.000 -0.488) 1.317 15.775 ( 1.950 0.000 2.913) 3.506 16.550 ( -8.981 0.000 -2.755) 9.394 ======================= Grid point 2 (3/111) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 21.573 0.000 4.794) 22.099 0.958 ( 20.343 0.000 4.122) 20.757 1.140 ( 13.027 0.000 3.322) 13.443 1.701 ( 11.896 0.000 3.731) 12.467 1.805 ( 2.257 0.000 -1.313) 2.611 1.841 ( 31.321 0.000 9.163) 32.634 2.085 ( -0.445 0.000 1.097) 1.183 2.145 ( -2.708 0.000 -1.222) 2.971 2.178 ( -0.944 0.000 2.737) 2.895 2.195 ( -0.559 0.000 1.173) 1.299 2.285 ( -2.410 0.000 -1.120) 2.658 2.310 ( -0.306 0.000 -1.196) 1.234 2.377 ( -8.839 0.000 -1.676) 8.997 2.433 ( -0.308 0.000 1.297) 1.333 2.723 ( -0.561 0.000 1.148) 1.277 2.772 ( -2.117 0.000 -0.950) 2.320 2.823 ( 2.677 0.000 -2.363) 3.570 2.986 ( -3.162 0.000 1.263) 3.405 3.066 ( -0.075 0.000 2.827) 2.828 3.126 ( -1.212 0.000 0.315) 1.253 3.195 ( 1.837 0.000 -2.840) 3.382 3.222 ( 0.458 0.000 -1.514) 1.581 3.248 ( -0.742 0.000 -0.373) 0.830 3.324 ( -3.719 0.000 3.630) 5.197 3.497 ( 4.339 0.000 6.575) 7.878 3.688 ( -8.258 0.000 -4.270) 9.297 3.899 ( 5.339 0.000 2.454) 5.876 4.106 ( -7.110 0.000 -0.426) 7.123 4.160 ( -1.981 0.000 2.269) 3.012 4.305 ( 2.008 0.000 -2.285) 3.042 4.566 ( -7.391 0.000 -4.651) 8.733 4.845 ( 4.725 0.000 -4.610) 6.602 4.892 ( -4.773 0.000 1.883) 5.131 5.464 ( -2.644 0.000 7.459) 7.914 5.578 ( 4.274 0.000 -3.482) 5.513 5.613 ( -1.734 0.000 2.234) 2.828 5.660 ( 1.217 0.000 7.246) 7.348 5.874 ( -2.210 0.000 -4.462) 4.980 5.936 ( 5.472 0.000 -0.043) 5.472 5.990 ( -2.174 0.000 -4.106) 4.646 6.168 ( -4.706 0.000 1.027) 4.817 6.168 ( 5.097 0.000 -0.606) 5.133 6.485 ( -5.465 0.000 -1.113) 5.578 6.732 ( -4.854 0.000 -2.223) 5.339 6.860 ( -1.884 0.000 -5.442) 5.758 6.888 ( 5.034 0.000 -1.982) 5.410 6.926 ( -3.984 0.000 11.210) 11.897 6.948 ( -1.169 0.000 0.451) 1.253 7.091 ( 4.857 0.000 -6.855) 8.401 7.375 ( 3.999 0.000 4.624) 6.113 7.413 ( -1.801 0.000 0.522) 1.875 7.576 ( 5.061 0.000 -2.662) 5.718 7.745 ( -15.469 0.000 1.731) 15.566 7.855 ( 3.565 0.000 -0.168) 3.569 7.962 ( -6.522 0.000 -8.008) 10.328 8.071 ( 7.226 0.000 -5.700) 9.204 8.081 ( 1.551 0.000 5.595) 5.806 8.138 ( -5.552 0.000 -4.389) 7.078 8.251 ( -1.102 0.000 0.137) 1.110 8.417 ( 3.173 0.000 -7.718) 8.344 8.534 ( 2.276 0.000 2.841) 3.641 8.619 ( 0.720 0.000 -6.033) 6.076 8.745 ( 1.036 0.000 2.183) 2.416 8.745 ( 11.522 0.000 0.800) 11.550 8.881 ( -1.433 0.000 2.953) 3.282 8.988 ( 2.393 0.000 -3.892) 4.569 9.012 ( -1.598 0.000 -1.708) 2.339 9.144 ( 1.072 0.000 4.686) 4.807 9.218 ( -1.455 0.000 -0.902) 1.712 9.303 ( 0.560 0.000 -3.367) 3.413 9.307 ( -0.356 0.000 3.567) 3.585 9.460 ( 2.432 0.000 3.882) 4.581 9.477 ( 12.346 0.000 6.468) 13.938 9.688 ( 7.189 0.000 -2.584) 7.639 9.710 ( 1.752 0.000 4.587) 4.911 9.892 ( 3.451 0.000 -4.625) 5.771 9.956 ( 2.869 0.000 11.068) 11.434 10.000 ( -5.069 0.000 12.818) 13.784 10.233 ( 2.158 0.000 -0.710) 2.271 10.773 ( -1.150 0.000 -12.946) 12.997 10.836 ( -15.854 0.000 1.004) 15.886 10.927 ( -0.414 0.000 2.720) 2.752 11.139 ( -2.266 0.000 2.472) 3.353 11.205 ( -4.043 0.000 3.357) 5.255 11.389 ( -0.767 0.000 0.132) 0.779 11.421 ( -7.507 0.000 -2.117) 7.800 11.649 ( 5.623 0.000 -4.432) 7.160 11.667 ( -2.250 0.000 -3.165) 3.883 11.789 ( 1.263 0.000 -2.397) 2.709 12.087 ( 3.547 0.000 -0.327) 3.562 12.465 ( -2.770 0.000 5.294) 5.975 12.557 ( 2.584 0.000 5.989) 6.523 12.581 ( 0.622 0.000 1.315) 1.455 12.799 ( 0.735 0.000 -0.513) 0.896 12.810 ( 3.608 0.000 -1.861) 4.060 12.923 ( 4.372 0.000 2.073) 4.838 12.979 ( -0.984 0.000 -0.563) 1.134 13.458 ( 0.308 0.000 0.989) 1.036 13.692 ( -0.344 0.000 0.099) 0.358 13.907 ( 4.144 0.000 1.294) 4.342 14.056 ( -1.647 0.000 0.681) 1.782 14.146 ( -0.626 0.000 2.549) 2.625 14.305 ( 0.831 0.000 0.341) 0.898 14.807 ( -6.884 0.000 -3.606) 7.771 15.413 ( -1.667 0.000 -0.675) 1.799 15.557 ( 6.084 0.000 4.781) 7.738 15.840 ( 3.116 0.000 1.493) 3.455 16.318 ( -12.171 0.000 -3.765) 12.740 ======================= Grid point 3 (4/111) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 16.687 0.000 3.270) 17.005 1.343 ( 18.334 0.000 4.591) 18.900 1.418 ( 13.433 0.000 4.146) 14.059 1.859 ( 5.690 0.000 -0.166) 5.693 2.010 ( 11.288 0.000 4.202) 12.045 2.060 ( -1.835 0.000 1.319) 2.260 2.072 ( 0.651 0.000 -1.446) 1.586 2.150 ( -2.846 0.000 -0.327) 2.864 2.163 ( -9.344 0.000 -2.225) 9.605 2.196 ( -1.367 0.000 1.271) 1.867 2.226 ( 1.263 0.000 1.829) 2.223 2.307 ( -0.274 0.000 -0.809) 0.854 2.346 ( 2.194 0.000 1.558) 2.691 2.437 ( 5.804 0.000 1.371) 5.964 2.688 ( -2.970 0.000 0.504) 3.012 2.715 ( -3.651 0.000 -0.124) 3.653 2.821 ( -1.019 0.000 -1.407) 1.737 2.921 ( -1.252 0.000 -2.091) 2.437 3.076 ( -0.866 0.000 3.566) 3.670 3.080 ( -3.945 0.000 -0.391) 3.964 3.197 ( -1.111 0.000 -4.696) 4.826 3.252 ( 3.026 0.000 0.583) 3.082 3.267 ( -2.625 0.000 3.259) 4.185 3.300 ( 4.183 0.000 2.465) 4.856 3.539 ( -5.202 0.000 -3.439) 6.236 3.665 ( 9.356 0.000 2.744) 9.750 3.952 ( -7.839 0.000 0.836) 7.884 3.982 ( 0.535 0.000 3.698) 3.737 4.195 ( 5.663 0.000 -0.000) 5.663 4.367 ( 4.764 0.000 -1.273) 4.931 4.376 ( -8.505 0.000 -1.805) 8.695 4.788 ( -6.143 0.000 0.966) 6.218 4.926 ( 5.458 0.000 -2.266) 5.910 5.425 ( -4.295 0.000 5.597) 7.055 5.582 ( -2.258 0.000 -3.872) 4.482 5.703 ( 9.624 0.000 -2.272) 9.889 5.762 ( 4.164 0.000 8.662) 9.611 5.836 ( -0.106 0.000 4.384) 4.385 5.927 ( -4.830 0.000 -2.837) 5.601 5.957 ( 0.668 0.000 -5.043) 5.087 6.127 ( -3.887 0.000 4.846) 6.213 6.228 ( -0.152 0.000 -0.550) 0.571 6.430 ( 1.747 0.000 -1.225) 2.133 6.583 ( -5.936 0.000 -2.109) 6.299 6.784 ( -3.036 0.000 -5.412) 6.205 6.877 ( -6.231 0.000 -0.502) 6.251 6.936 ( 0.418 0.000 6.611) 6.624 6.972 ( 4.483 0.000 -1.183) 4.636 7.144 ( 3.173 0.000 -3.651) 4.837 7.359 ( -3.769 0.000 -1.172) 3.947 7.431 ( -14.436 0.000 -1.904) 14.561 7.549 ( 8.849 0.000 -0.114) 8.850 7.556 ( -3.604 0.000 -4.643) 5.878 7.818 ( -3.642 0.000 -5.381) 6.498 7.905 ( 4.985 0.000 -8.364) 9.737 8.039 ( -1.660 0.000 1.542) 2.266 8.076 ( -2.714 0.000 0.467) 2.754 8.229 ( 9.483 0.000 -7.477) 12.077 8.269 ( 0.291 0.000 4.564) 4.574 8.452 ( 4.246 0.000 -5.421) 6.886 8.594 ( 0.183 0.000 7.182) 7.184 8.599 ( 1.586 0.000 -5.817) 6.029 8.737 ( -1.101 0.000 2.002) 2.285 8.835 ( -3.549 0.000 0.398) 3.571 8.940 ( 5.294 0.000 2.917) 6.045 8.985 ( 0.005 0.000 3.441) 3.441 8.990 ( -3.129 0.000 -0.789) 3.227 9.107 ( -4.557 0.000 3.631) 5.827 9.163 ( -2.608 0.000 0.416) 2.641 9.312 ( 1.748 0.000 -1.126) 2.079 9.331 ( 2.301 0.000 -4.934) 5.444 9.488 ( -1.447 0.000 0.247) 1.468 9.693 ( 6.344 0.000 3.104) 7.062 9.794 ( 4.841 0.000 2.782) 5.584 9.846 ( 6.937 0.000 4.412) 8.221 9.918 ( 0.106 0.000 1.237) 1.242 9.993 ( -0.661 0.000 6.872) 6.903 10.062 ( 1.879 0.000 5.493) 5.806 10.224 ( -1.020 0.000 -2.775) 2.957 10.524 ( -15.809 0.000 -0.652) 15.822 10.780 ( 6.307 0.000 -5.579) 8.421 11.019 ( 5.315 0.000 8.284) 9.843 11.102 ( 0.148 0.000 2.170) 2.175 11.172 ( -3.758 0.000 1.225) 3.952 11.321 ( -1.761 0.000 0.420) 1.810 11.362 ( -0.739 0.000 -3.850) 3.920 11.632 ( -0.104 0.000 -1.149) 1.153 11.711 ( 2.620 0.000 -2.555) 3.660 11.836 ( 4.445 0.000 -1.476) 4.683 12.146 ( 3.137 0.000 -1.661) 3.550 12.400 ( -6.073 0.000 4.027) 7.286 12.573 ( -0.662 0.000 0.156) 0.680 12.585 ( -2.530 0.000 3.959) 4.699 12.799 ( 0.002 0.000 -0.351) 0.351 12.833 ( -0.085 0.000 -2.084) 2.086 12.960 ( -0.659 0.000 -0.522) 0.841 13.087 ( 9.445 0.000 3.324) 10.013 13.453 ( -1.288 0.000 -0.278) 1.317 13.688 ( -0.182 0.000 0.059) 0.191 13.978 ( 2.676 0.000 0.395) 2.705 14.023 ( -1.933 0.000 0.408) 1.975 14.143 ( -1.155 0.000 2.429) 2.690 14.331 ( 1.503 0.000 0.593) 1.616 14.681 ( -4.663 0.000 -1.932) 5.048 15.382 ( -1.136 0.000 -0.487) 1.236 15.675 ( 3.773 0.000 3.421) 5.093 15.899 ( 2.325 0.000 0.576) 2.395 16.086 ( -9.306 0.000 -2.897) 9.747 ======================= Grid point 4 (5/111) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 13.873 0.000 3.041) 14.202 1.671 ( 13.095 0.000 3.392) 13.527 1.680 ( 11.065 0.000 3.150) 11.505 1.892 ( -10.174 0.000 -2.508) 10.479 1.898 ( -4.627 0.000 -1.530) 4.874 1.941 ( -9.982 0.000 -2.182) 10.217 2.025 ( -0.967 0.000 -0.179) 0.983 2.144 ( 2.527 0.000 1.473) 2.925 2.184 ( -0.201 0.000 0.170) 0.263 2.259 ( 1.897 0.000 -0.293) 1.919 2.290 ( -2.816 0.000 1.642) 3.260 2.296 ( 0.301 0.000 -0.675) 0.739 2.392 ( 11.542 0.000 3.753) 12.136 2.459 ( -4.130 0.000 -2.769) 4.972 2.673 ( 3.667 0.000 1.866) 4.115 2.675 ( -0.572 0.000 0.894) 1.061 2.807 ( -0.013 0.000 -0.078) 0.079 2.914 ( -12.074 0.000 -4.141) 12.764 2.929 ( 1.511 0.000 -0.428) 1.571 3.078 ( -0.275 0.000 1.604) 1.628 3.141 ( -1.117 0.000 -0.709) 1.323 3.269 ( 0.344 0.000 0.456) 0.571 3.295 ( 0.628 0.000 0.564) 0.844 3.388 ( 2.663 0.000 1.621) 3.118 3.453 ( -2.092 0.000 -1.288) 2.457 3.825 ( 6.501 0.000 -2.946) 7.138 3.851 ( -2.901 0.000 0.733) 2.992 3.972 ( -2.715 0.000 3.419) 4.366 4.178 ( -3.852 0.000 -2.917) 4.832 4.401 ( 5.173 0.000 3.292) 6.132 4.439 ( 2.573 0.000 -0.541) 2.629 4.702 ( -2.744 0.000 0.459) 2.782 5.042 ( 6.104 0.000 0.880) 6.167 5.388 ( -1.624 0.000 2.145) 2.691 5.510 ( -1.969 0.000 -2.660) 3.309 5.792 ( -6.415 0.000 -1.418) 6.570 5.864 ( 7.067 0.000 -2.241) 7.414 5.871 ( 2.061 0.000 4.949) 5.361 5.895 ( 1.436 0.000 3.298) 3.597 5.956 ( 1.908 0.000 -1.588) 2.483 6.009 ( -7.006 0.000 1.121) 7.096 6.170 ( -3.188 0.000 -1.880) 3.701 6.525 ( 6.883 0.000 0.292) 6.889 6.563 ( 2.074 0.000 2.199) 3.023 6.692 ( -3.206 0.000 -3.623) 4.838 6.723 ( -8.240 0.000 -1.306) 8.342 6.996 ( 1.759 0.000 2.984) 3.464 7.035 ( 2.114 0.000 -0.357) 2.144 7.147 ( -2.587 0.000 -1.640) 3.063 7.211 ( -3.925 0.000 -1.326) 4.143 7.269 ( -3.111 0.000 -2.143) 3.778 7.485 ( -1.299 0.000 -1.457) 1.952 7.620 ( -0.507 0.000 -2.885) 2.929 7.847 ( 6.501 0.000 0.410) 6.514 7.942 ( 2.023 0.000 -2.843) 3.489 8.014 ( -3.593 0.000 -0.494) 3.627 8.038 ( 0.092 0.000 0.444) 0.453 8.287 ( -0.008 0.000 1.245) 1.245 8.335 ( 5.077 0.000 -5.213) 7.277 8.497 ( 1.969 0.000 -1.820) 2.681 8.570 ( -4.792 0.000 4.882) 6.841 8.632 ( 4.198 0.000 -2.694) 4.989 8.729 ( -0.269 0.000 0.163) 0.315 8.820 ( 1.243 0.000 -0.301) 1.279 8.845 ( -8.959 0.000 2.209) 9.227 8.967 ( -0.132 0.000 0.625) 0.639 9.071 ( 2.453 0.000 1.933) 3.123 9.085 ( -0.197 0.000 0.635) 0.665 9.157 ( 0.730 0.000 8.123) 8.156 9.302 ( -1.090 0.000 -9.506) 9.568 9.346 ( 1.929 0.000 -0.703) 2.054 9.443 ( -2.382 0.000 0.545) 2.443 9.804 ( 5.005 0.000 -1.982) 5.383 9.888 ( 3.709 0.000 -1.889) 4.162 9.912 ( -2.932 0.000 5.903) 6.591 9.916 ( -0.787 0.000 1.277) 1.500 10.058 ( 3.056 0.000 6.978) 7.618 10.102 ( 2.623 0.000 0.490) 2.669 10.193 ( -1.861 0.000 -1.216) 2.223 10.258 ( -9.999 0.000 -2.896) 10.410 10.895 ( 6.912 0.000 -0.847) 6.963 11.047 ( -6.908 0.000 0.945) 6.972 11.172 ( 4.539 0.000 7.727) 8.962 11.191 ( 4.153 0.000 -0.962) 4.263 11.314 ( -1.611 0.000 -5.442) 5.675 11.324 ( 0.256 0.000 1.722) 1.741 11.634 ( 0.069 0.000 0.230) 0.240 11.723 ( 0.191 0.000 -1.207) 1.223 11.910 ( 2.825 0.000 -1.013) 3.002 12.193 ( 3.011 0.000 -2.026) 3.629 12.313 ( -4.379 0.000 2.907) 5.256 12.533 ( -3.088 0.000 1.193) 3.311 12.571 ( 0.142 0.000 0.212) 0.255 12.793 ( -0.252 0.000 -0.579) 0.632 12.816 ( -0.402 0.000 -0.521) 0.658 12.949 ( -0.276 0.000 -0.205) 0.344 13.270 ( 7.185 0.000 2.834) 7.723 13.399 ( -3.751 0.000 -1.799) 4.160 13.686 ( -0.034 0.000 -0.059) 0.068 13.995 ( -0.970 0.000 0.140) 0.980 14.015 ( 1.094 0.000 -0.135) 1.102 14.132 ( -0.882 0.000 1.146) 1.446 14.360 ( 0.901 0.000 0.253) 0.936 14.611 ( -1.802 0.000 -0.540) 1.881 15.366 ( -0.321 0.000 -0.153) 0.355 15.737 ( 1.283 0.000 1.285) 1.815 15.931 ( 0.809 0.000 0.089) 0.814 15.951 ( -3.359 0.000 -1.046) 3.518 ======================= Grid point 9 (6/111) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 0.000 15.788 0.000) 15.788 0.468 ( 0.000 25.103 0.000) 25.103 0.748 ( 0.000 -6.658 0.000) 6.658 0.840 ( 0.000 42.768 0.000) 42.768 1.354 ( 0.000 -18.019 0.000) 18.019 1.960 ( 0.000 -4.599 0.000) 4.599 2.131 ( 0.000 -2.666 0.000) 2.666 2.156 ( 0.000 0.539 0.000) 0.539 2.180 ( 0.000 -2.321 0.000) 2.321 2.184 ( 0.000 -1.009 0.000) 1.009 2.313 ( 0.000 0.519 0.000) 0.519 2.345 ( 0.000 -0.851 0.000) 0.851 2.500 ( 0.000 7.345 0.000) 7.345 2.579 ( 0.000 -5.590 0.000) 5.590 2.678 ( 0.000 1.573 0.000) 1.573 2.761 ( 0.000 -2.559 0.000) 2.559 2.764 ( 0.000 4.025 0.000) 4.025 2.952 ( 0.000 -0.697 0.000) 0.697 3.045 ( 0.000 0.923 0.000) 0.923 3.130 ( 0.000 -2.882 0.000) 2.882 3.150 ( 0.000 -1.108 0.000) 1.108 3.219 ( 0.000 1.632 0.000) 1.632 3.257 ( 0.000 -7.619 0.000) 7.619 3.307 ( 0.000 -2.531 0.000) 2.531 3.454 ( 0.000 3.153 0.000) 3.153 3.648 ( 0.000 -6.892 0.000) 6.892 4.145 ( 0.000 1.072 0.000) 1.072 4.203 ( 0.000 0.428 0.000) 0.428 4.356 ( 0.000 11.301 0.000) 11.301 4.566 ( 0.000 -0.388 0.000) 0.388 4.678 ( 0.000 -3.514 0.000) 3.514 4.764 ( 0.000 -6.992 0.000) 6.992 5.072 ( 0.000 7.019 0.000) 7.019 5.381 ( 0.000 -11.408 0.000) 11.408 5.490 ( 0.000 3.500 0.000) 3.500 5.674 ( 0.000 -1.119 0.000) 1.119 5.693 ( 0.000 0.726 0.000) 0.726 5.699 ( 0.000 -0.190 0.000) 0.190 6.001 ( 0.000 3.493 0.000) 3.493 6.028 ( 0.000 0.621 0.000) 0.621 6.296 ( 0.000 -0.256 0.000) 0.256 6.372 ( 0.000 -1.769 0.000) 1.769 6.727 ( 0.000 1.447 0.000) 1.447 6.742 ( 0.000 0.560 0.000) 0.560 6.786 ( 0.000 6.152 0.000) 6.152 6.819 ( 0.000 -1.817 0.000) 1.817 6.869 ( 0.000 -1.405 0.000) 1.405 6.931 ( 0.000 0.747 0.000) 0.747 6.995 ( 0.000 -1.832 0.000) 1.832 7.004 ( 0.000 0.932 0.000) 0.932 7.366 ( 0.000 2.411 0.000) 2.411 7.426 ( 0.000 -1.049 0.000) 1.049 7.543 ( 0.000 -1.153 0.000) 1.153 7.620 ( 0.000 -3.190 0.000) 3.190 8.112 ( 0.000 1.202 0.000) 1.202 8.183 ( 0.000 9.541 0.000) 9.541 8.206 ( 0.000 -4.064 0.000) 4.064 8.286 ( 0.000 4.214 0.000) 4.214 8.338 ( 0.000 4.030 0.000) 4.030 8.363 ( 0.000 0.547 0.000) 0.547 8.456 ( 0.000 -0.563 0.000) 0.563 8.469 ( 0.000 -1.534 0.000) 1.534 8.639 ( 0.000 0.528 0.000) 0.528 8.692 ( 0.000 1.733 0.000) 1.733 8.714 ( 0.000 6.134 0.000) 6.134 8.918 ( 0.000 2.966 0.000) 2.966 8.939 ( 0.000 1.279 0.000) 1.279 9.061 ( 0.000 2.480 0.000) 2.480 9.111 ( 0.000 -3.070 0.000) 3.070 9.310 ( 0.000 -1.919 0.000) 1.919 9.385 ( 0.000 -0.114 0.000) 0.114 9.484 ( 0.000 2.082 0.000) 2.082 9.533 ( 0.000 0.089 0.000) 0.089 9.576 ( 0.000 -1.136 0.000) 1.136 9.676 ( 0.000 -0.497 0.000) 0.497 9.678 ( 0.000 0.728 0.000) 0.728 9.844 ( 0.000 7.954 0.000) 7.954 9.921 ( 0.000 -8.815 0.000) 8.815 10.062 ( 0.000 -1.893 0.000) 1.893 10.194 ( 0.000 -2.886 0.000) 2.886 10.896 ( 0.000 -11.087 0.000) 11.087 10.943 ( 0.000 -14.194 0.000) 14.194 11.224 ( 0.000 1.536 0.000) 1.536 11.291 ( 0.000 3.917 0.000) 3.917 11.326 ( 0.000 4.573 0.000) 4.573 11.510 ( 0.000 9.965 0.000) 9.965 11.516 ( 0.000 -7.731 0.000) 7.731 11.561 ( 0.000 -5.150 0.000) 5.150 11.761 ( 0.000 -5.969 0.000) 5.969 11.873 ( 0.000 -6.466 0.000) 6.466 12.283 ( 0.000 -1.994 0.000) 1.994 12.339 ( 0.000 -2.891 0.000) 2.891 12.372 ( 0.000 5.466 0.000) 5.466 12.619 ( 0.000 -4.067 0.000) 4.067 12.893 ( 0.000 4.413 0.000) 4.413 12.927 ( 0.000 1.171 0.000) 1.171 13.090 ( 0.000 21.501 0.000) 21.501 13.411 ( 0.000 -1.785 0.000) 1.785 13.707 ( 0.000 1.549 0.000) 1.549 13.799 ( 0.000 2.642 0.000) 2.642 13.995 ( 0.000 -7.658 0.000) 7.658 14.052 ( 0.000 -11.238 0.000) 11.238 14.601 ( 0.000 17.841 0.000) 17.841 15.084 ( 0.000 -5.685 0.000) 5.685 15.244 ( 0.000 0.753 0.000) 0.753 15.317 ( 0.000 -3.071 0.000) 3.071 16.508 ( 0.000 2.522 0.000) 2.522 16.626 ( 0.000 -2.466 0.000) 2.466 ======================= Grid point 10 (7/111) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 18.822 8.220 3.320) 20.805 0.655 ( 17.658 14.732 4.142) 23.367 0.857 ( 10.024 -5.320 1.912) 11.508 1.256 ( 26.876 16.457 8.133) 32.547 1.400 ( 8.943 -7.240 2.980) 11.886 1.924 ( -2.098 0.787 -3.565) 4.211 2.111 ( -0.871 1.405 -0.510) 1.730 2.170 ( -0.475 -1.344 0.963) 1.720 2.173 ( -0.573 -1.085 1.997) 2.343 2.184 ( -0.341 -1.256 0.983) 1.631 2.316 ( -0.307 0.210 -0.779) 0.863 2.342 ( -0.428 0.062 -0.432) 0.611 2.474 ( -1.361 5.703 1.843) 6.146 2.560 ( -3.852 0.809 -0.394) 3.956 2.675 ( 1.398 -0.946 -0.344) 1.723 2.757 ( 0.959 -4.597 -1.159) 4.837 2.784 ( 2.265 2.387 -0.000) 3.291 2.966 ( 0.071 -2.346 1.661) 2.875 3.040 ( -0.914 0.053 1.770) 1.993 3.120 ( 0.054 -2.440 -2.774) 3.695 3.160 ( -1.032 -2.496 0.742) 2.801 3.204 ( 1.305 1.886 0.726) 2.406 3.256 ( -0.432 -7.192 1.393) 7.338 3.308 ( -1.239 -2.295 -0.366) 2.634 3.451 ( -0.788 2.695 3.695) 4.641 3.664 ( 1.285 -8.272 1.644) 8.531 4.018 ( -11.928 5.864 -3.914) 13.856 4.172 ( -3.785 -1.536 -0.113) 4.086 4.250 ( -5.566 -1.570 -1.499) 5.974 4.275 ( -7.648 1.294 -4.187) 8.814 4.679 ( 5.619 5.620 0.730) 7.981 4.855 ( -0.543 -1.719 -7.284) 7.504 5.042 ( -2.573 7.714 0.834) 8.174 5.355 ( -2.476 -9.852 4.069) 10.943 5.522 ( 2.178 2.078 1.656) 3.435 5.643 ( -1.956 -0.946 1.060) 2.417 5.703 ( 0.179 2.633 1.147) 2.878 5.772 ( 4.956 -2.077 -0.675) 5.416 5.966 ( 0.958 3.829 -4.077) 5.675 6.074 ( 2.558 -0.919 0.385) 2.745 6.180 ( -5.265 6.820 -4.594) 9.764 6.270 ( -2.907 1.418 0.379) 3.257 6.631 ( -6.149 1.511 -0.228) 6.336 6.746 ( -0.364 -1.831 -1.127) 2.181 6.750 ( -0.358 -2.296 -0.829) 2.467 6.861 ( -3.562 -4.508 4.746) 7.452 6.947 ( 3.348 1.572 1.227) 3.897 7.014 ( 5.222 1.602 2.861) 6.166 7.034 ( 4.878 4.782 -0.506) 6.850 7.320 ( -0.735 -6.855 6.924) 9.771 7.411 ( 0.536 1.076 1.599) 2.000 7.481 ( 3.411 -0.335 0.422) 3.453 7.686 ( 3.294 -3.756 8.885) 10.194 7.738 ( 8.929 -8.204 9.806) 15.594 8.095 ( -5.519 7.646 -0.630) 9.451 8.190 ( -3.562 5.713 -9.281) 11.466 8.221 ( 1.616 6.563 -1.573) 6.939 8.249 ( -0.490 0.191 -2.701) 2.752 8.303 ( -5.856 -0.472 -6.101) 8.470 8.376 ( 6.152 -1.813 -2.351) 6.831 8.459 ( 9.454 2.440 -1.542) 9.885 8.579 ( 3.162 2.263 -7.538) 8.482 8.664 ( 3.900 6.732 1.556) 7.934 8.707 ( 1.570 -1.089 -0.109) 1.914 8.843 ( 9.225 -4.230 -3.292) 10.669 8.953 ( 4.444 1.021 0.720) 4.617 8.990 ( 4.992 -0.442 3.680) 6.217 9.060 ( 0.306 1.244 -2.306) 2.638 9.123 ( 1.803 -2.014 2.704) 3.823 9.274 ( -0.402 -3.982 -4.404) 5.951 9.364 ( 0.757 1.649 -2.184) 2.839 9.414 ( -4.712 5.475 4.718) 8.628 9.527 ( -0.313 6.838 5.445) 8.746 9.614 ( 2.027 -3.119 0.495) 3.752 9.626 ( 2.554 3.929 -0.126) 4.688 9.739 ( 2.400 -0.786 1.373) 2.874 9.914 ( 3.743 3.364 4.581) 6.805 9.971 ( -1.930 -3.268 9.239) 9.988 10.199 ( 4.817 -4.748 -0.827) 6.814 10.601 ( 11.891 -29.274 8.016) 32.598 10.767 ( -4.895 -15.879 -6.977) 18.022 10.991 ( 1.254 -13.353 3.567) 13.878 11.198 ( -8.035 5.553 -5.198) 11.064 11.266 ( -3.296 -2.422 2.175) 4.633 11.399 ( 3.848 0.318 1.670) 4.206 11.450 ( -0.568 -5.464 2.138) 5.895 11.544 ( 2.933 -7.284 3.689) 8.675 11.611 ( 5.698 4.359 -4.836) 8.652 11.701 ( -4.042 -6.030 -3.072) 7.883 11.910 ( 3.766 -6.861 2.003) 8.079 12.330 ( 5.150 -3.983 -0.743) 6.553 12.361 ( 1.399 -4.486 -1.239) 4.860 12.485 ( 8.130 0.893 3.759) 9.001 12.633 ( 1.488 -6.761 0.265) 6.928 12.918 ( 1.754 2.822 1.094) 3.498 12.929 ( 0.975 3.330 -0.489) 3.504 13.104 ( -0.135 21.067 4.694) 21.584 13.417 ( -0.168 -2.194 1.922) 2.922 13.701 ( -0.346 1.354 -0.760) 1.591 13.818 ( 2.470 3.206 1.149) 4.208 14.034 ( 0.676 -7.815 2.153) 8.135 14.080 ( 3.787 -11.694 1.442) 12.376 14.469 ( -8.320 18.969 -3.560) 21.017 14.931 ( -9.082 -5.374 -4.585) 11.505 15.371 ( 7.689 0.428 4.690) 9.016 15.447 ( 7.648 -2.379 2.642) 8.434 16.170 ( -19.054 19.807 -4.331) 27.823 16.515 ( -9.831 -3.784 -2.910) 10.929 ======================= Grid point 11 (8/111) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 20.174 3.285 4.776) 20.990 1.049 ( 19.583 8.977 3.537) 21.831 1.111 ( 14.026 -3.031 3.593) 14.792 1.539 ( 12.788 -13.453 2.796) 18.771 1.886 ( 1.585 5.648 -1.521) 6.060 1.927 ( 24.316 6.943 6.963) 26.229 2.097 ( -0.738 1.315 0.948) 1.781 2.139 ( -2.242 -0.556 -0.765) 2.433 2.180 ( -0.772 0.011 2.694) 2.802 2.182 ( -0.489 -0.989 1.249) 1.666 2.292 ( -0.708 0.827 -1.308) 1.702 2.317 ( -1.758 0.636 -1.249) 2.248 2.433 ( -7.439 5.080 -0.631) 9.030 2.469 ( -1.538 3.205 1.193) 3.750 2.699 ( 0.577 -1.233 1.323) 1.898 2.770 ( 0.485 -1.425 -1.791) 2.339 2.838 ( 2.360 1.566 -0.351) 2.854 2.958 ( -1.894 -3.584 0.051) 4.054 3.035 ( -0.562 -2.028 1.258) 2.452 3.105 ( -0.682 -1.808 -0.093) 1.935 3.128 ( -1.137 -4.246 -0.210) 4.401 3.238 ( 0.990 0.672 1.256) 1.735 3.243 ( -2.030 -4.610 0.207) 5.042 3.286 ( -0.611 -0.385 0.810) 1.086 3.504 ( 4.239 1.364 5.923) 7.410 3.684 ( -1.964 -3.046 -2.680) 4.507 3.850 ( -0.080 -1.251 1.380) 1.864 4.063 ( -6.916 -5.136 -0.579) 8.634 4.164 ( -4.461 -0.444 1.101) 4.616 4.194 ( -1.372 -5.736 -1.103) 6.000 4.670 ( -4.131 7.545 -4.945) 9.922 4.836 ( 2.475 -0.775 -4.972) 5.608 4.989 ( -3.450 8.360 2.009) 9.264 5.352 ( -0.846 -9.837 6.022) 11.564 5.568 ( 1.585 1.142 1.382) 2.393 5.643 ( 0.843 -0.897 2.913) 3.162 5.709 ( 0.430 5.501 1.769) 5.794 5.832 ( 1.809 -1.682 -1.179) 2.737 5.998 ( 2.417 2.708 -5.303) 6.426 6.066 ( -2.530 4.647 -3.417) 6.298 6.140 ( 1.318 0.968 1.847) 2.467 6.210 ( -1.512 2.124 0.296) 2.623 6.511 ( -5.381 2.816 -1.071) 6.166 6.692 ( -4.509 -4.564 -2.479) 6.878 6.764 ( 0.762 -2.907 -0.302) 3.021 6.830 ( -2.973 -4.951 4.297) 7.198 7.004 ( 2.565 3.564 -1.889) 4.780 7.058 ( 1.457 3.320 -3.598) 5.107 7.104 ( 1.314 5.645 1.908) 6.102 7.339 ( 1.938 -3.858 3.855) 5.788 7.429 ( 0.413 2.127 1.185) 2.469 7.554 ( 1.594 -2.459 -1.617) 3.347 7.702 ( -4.990 -0.894 2.917) 5.848 7.855 ( 1.756 -4.081 0.638) 4.489 8.011 ( -6.330 5.264 -5.255) 9.767 8.045 ( 0.920 2.105 -2.020) 3.059 8.127 ( -7.150 0.199 -5.001) 8.727 8.183 ( -2.963 -0.330 -1.241) 3.230 8.242 ( 1.952 3.964 -5.924) 7.391 8.419 ( 1.854 -0.301 -3.172) 3.686 8.549 ( 2.665 -1.099 -6.835) 7.418 8.681 ( 0.995 -4.977 -0.375) 5.090 8.728 ( 2.366 13.161 2.153) 13.544 8.826 ( 12.568 6.675 0.665) 14.246 8.899 ( 0.365 1.418 0.802) 1.670 9.018 ( 0.870 1.769 -2.125) 2.899 9.037 ( -1.278 1.733 -0.454) 2.201 9.096 ( 2.299 -1.161 4.373) 5.075 9.196 ( -0.409 -3.176 1.175) 3.411 9.280 ( 0.594 -3.032 -2.319) 3.863 9.389 ( -1.088 5.715 4.465) 7.333 9.481 ( 12.748 0.469 6.016) 14.104 9.562 ( 2.314 10.219 0.817) 10.510 9.673 ( 2.724 -2.807 4.812) 6.201 9.714 ( 6.077 2.770 -1.186) 6.783 9.796 ( 3.508 -4.373 1.614) 5.834 9.931 ( -4.012 -5.180 8.807) 10.977 10.034 ( 3.025 4.975 4.214) 7.188 10.333 ( 6.940 3.044 1.363) 7.699 10.512 ( -9.325 -12.212 -3.439) 15.745 10.731 ( -2.325 -17.099 0.065) 17.257 10.991 ( -5.614 -3.406 1.571) 6.751 11.071 ( 1.673 -3.027 0.264) 3.469 11.168 ( -6.840 -2.568 2.648) 7.771 11.357 ( -5.600 -2.482 1.799) 6.384 11.432 ( 0.274 2.623 -3.389) 4.295 11.574 ( -4.486 -7.600 -0.408) 8.834 11.642 ( 4.262 -3.696 -3.138) 6.456 11.755 ( 5.834 2.428 0.385) 6.331 12.011 ( 4.726 -7.023 1.446) 8.588 12.350 ( -0.916 -5.468 -1.912) 5.864 12.427 ( 3.904 -7.152 -2.531) 8.532 12.586 ( 0.766 -0.867 0.573) 1.291 12.701 ( 3.868 -10.564 0.381) 11.256 12.950 ( 2.945 4.139 0.355) 5.092 12.994 ( 3.883 4.464 2.408) 6.387 13.125 ( -1.363 20.545 6.841) 21.696 13.422 ( -0.479 -2.839 1.930) 3.466 13.690 ( -0.211 1.100 -0.857) 1.410 13.900 ( 4.507 2.950 1.599) 5.619 14.042 ( -0.590 -8.333 2.309) 8.667 14.176 ( 4.227 -8.316 2.240) 9.594 14.323 ( -5.054 15.195 -2.193) 16.163 14.749 ( -7.213 -5.896 -3.496) 9.951 15.503 ( 2.370 4.537 1.392) 5.305 15.574 ( 4.733 0.873 3.057) 5.701 15.929 ( -5.161 9.850 -0.731) 11.145 16.271 ( -12.329 -5.054 -3.682) 13.824 ======================= Grid point 12 (9/111) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 17.683 1.122 4.568) 18.298 1.402 ( 14.631 0.834 2.961) 14.951 1.418 ( 16.030 6.317 4.120) 17.715 1.791 ( 10.240 -7.354 0.923) 12.641 2.016 ( 7.552 0.884 2.987) 8.169 2.050 ( -3.444 -0.537 0.440) 3.513 2.082 ( 1.412 0.898 -0.481) 1.741 2.148 ( -2.123 -0.326 -1.144) 2.434 2.180 ( -0.152 -1.062 1.250) 1.647 2.188 ( -2.862 0.164 0.178) 2.873 2.253 ( -2.626 2.726 -0.054) 3.786 2.297 ( -2.895 0.839 0.342) 3.034 2.341 ( 1.802 -0.593 0.746) 2.038 2.442 ( -1.432 -0.085 0.023) 1.434 2.730 ( -0.918 3.501 -0.225) 3.626 2.739 ( -0.825 2.911 1.763) 3.502 2.837 ( -1.632 1.954 -1.392) 2.901 2.920 ( -0.348 -0.034 -1.737) 1.772 3.030 ( -1.185 -2.743 0.574) 3.043 3.077 ( -3.624 -1.876 0.276) 4.090 3.129 ( 0.853 -5.071 -2.600) 5.762 3.176 ( -2.682 -6.999 2.482) 7.895 3.287 ( 2.503 0.800 1.461) 3.006 3.305 ( 2.429 0.368 1.317) 2.787 3.583 ( -4.021 4.500 -3.885) 7.178 3.662 ( 7.329 0.356 2.096) 7.631 3.919 ( -4.497 -3.722 1.411) 6.006 3.958 ( 2.153 -4.405 2.015) 5.301 4.131 ( 0.730 -4.699 -0.427) 4.775 4.160 ( -1.577 -7.073 5.470) 9.080 4.582 ( -0.986 9.914 -4.822) 11.068 4.818 ( -1.751 -1.025 -3.547) 4.086 4.982 ( 2.444 8.174 2.117) 8.790 5.377 ( -0.526 -6.968 5.580) 8.942 5.590 ( 0.209 1.460 -2.075) 2.546 5.687 ( 2.197 -0.957 3.286) 4.067 5.768 ( 4.130 1.844 1.152) 4.667 5.842 ( -0.591 0.032 1.381) 1.502 5.960 ( -3.020 1.944 -1.221) 3.794 5.983 ( -3.206 2.746 -2.597) 4.956 6.158 ( -2.026 2.082 3.095) 4.245 6.222 ( -0.226 -0.249 -2.261) 2.286 6.450 ( 0.556 2.204 -0.989) 2.479 6.573 ( -4.291 -1.834 -1.827) 5.011 6.756 ( -1.270 -1.571 -2.030) 2.864 6.786 ( -3.006 -4.552 2.548) 6.021 7.021 ( 0.280 5.787 -1.609) 6.013 7.070 ( -0.112 6.637 1.961) 6.921 7.143 ( 2.715 -0.453 -2.511) 3.726 7.316 ( -4.502 -4.998 0.539) 6.748 7.418 ( -10.020 0.296 -3.136) 10.503 7.493 ( 2.107 -2.026 -2.731) 4.000 7.652 ( 0.973 6.433 -2.020) 6.813 7.834 ( -2.582 0.820 -4.959) 5.650 7.920 ( 3.020 1.415 -7.122) 7.864 8.017 ( -2.121 -2.487 2.890) 4.363 8.073 ( -2.032 -0.230 -0.755) 2.180 8.178 ( 1.874 -7.690 2.823) 8.403 8.284 ( 7.033 5.226 -7.567) 11.577 8.434 ( 1.993 0.054 -3.725) 4.225 8.560 ( 2.544 -1.709 -5.596) 6.380 8.669 ( -1.761 -4.390 0.043) 4.730 8.749 ( -1.692 9.236 3.073) 9.880 8.884 ( -1.929 3.978 1.642) 4.716 8.974 ( -3.575 -1.297 0.918) 3.913 9.009 ( -0.808 -0.033 5.487) 5.546 9.012 ( 2.246 3.402 -0.811) 4.157 9.102 ( -2.117 2.743 2.048) 4.025 9.173 ( -2.033 0.696 -0.175) 2.155 9.313 ( 4.680 -0.571 -0.875) 4.795 9.385 ( -0.418 4.250 -0.116) 4.272 9.580 ( -0.371 12.637 -0.830) 12.670 9.728 ( 6.888 3.745 3.561) 8.612 9.775 ( 5.398 -2.131 3.586) 6.822 9.838 ( 4.891 -1.102 4.681) 6.859 9.881 ( 1.920 -3.017 1.604) 3.919 9.941 ( 3.651 -3.203 2.668) 5.541 10.106 ( 1.528 3.996 4.565) 6.256 10.298 ( -6.595 2.187 -2.086) 7.254 10.398 ( -6.209 -10.217 0.380) 11.961 10.720 ( 4.841 -5.395 -1.656) 7.435 10.968 ( -0.713 -2.639 3.713) 4.610 11.088 ( -0.495 -1.457 1.393) 2.076 11.138 ( 2.385 -11.720 5.747) 13.269 11.278 ( -2.999 -0.006 1.686) 3.440 11.400 ( -0.662 -0.840 -6.889) 6.972 11.505 ( -3.222 -2.787 2.606) 4.994 11.704 ( 3.339 -2.153 -2.111) 4.499 11.846 ( 4.009 2.938 0.203) 4.975 12.090 ( 3.089 -5.437 -0.044) 6.254 12.303 ( -2.603 -4.693 -1.372) 5.539 12.446 ( 0.175 -8.703 -3.887) 9.533 12.586 ( -0.190 -0.522 -0.230) 0.601 12.727 ( -0.174 -9.935 -0.713) 9.962 12.997 ( 0.981 6.915 -0.027) 6.984 13.081 ( -0.329 10.979 5.359) 12.221 13.157 ( 4.200 11.116 3.816) 12.481 13.418 ( -0.894 -2.966 0.623) 3.160 13.685 ( 0.177 1.137 -0.785) 1.393 13.987 ( 3.633 2.176 0.855) 4.320 14.043 ( -0.463 -6.055 2.061) 6.413 14.225 ( -2.677 10.739 0.461) 11.077 14.270 ( 2.253 -3.949 0.225) 4.552 14.622 ( -4.431 -5.936 -1.829) 7.630 15.487 ( -2.234 8.887 -0.744) 9.194 15.669 ( 2.919 -0.839 2.657) 4.035 15.905 ( 0.878 1.099 0.424) 1.469 16.048 ( -8.399 -3.914 -2.465) 9.588 ======================= Grid point 13 (10/111) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 12.546 -0.124 3.302) 12.974 1.672 ( 11.336 0.048 3.329) 11.815 1.716 ( 12.964 6.701 2.120) 14.746 1.890 ( -3.978 -0.453 -1.699) 4.349 1.916 ( -7.828 1.047 -1.130) 7.978 1.983 ( -7.143 2.544 -1.676) 7.766 2.021 ( -2.448 1.216 -0.319) 2.752 2.138 ( 1.247 -0.122 1.073) 1.650 2.176 ( -0.220 -0.807 0.108) 0.843 2.233 ( -0.670 -2.807 -0.151) 2.889 2.292 ( 1.246 0.367 1.031) 1.658 2.309 ( -2.382 1.022 -0.293) 2.609 2.377 ( 10.362 -1.854 3.512) 11.097 2.413 ( -0.009 -4.059 -1.198) 4.232 2.672 ( -0.799 2.136 0.064) 2.281 2.732 ( -1.620 3.935 -0.187) 4.259 2.818 ( -0.854 0.679 0.813) 1.360 2.887 ( -9.260 -2.599 -3.723) 10.313 2.928 ( 0.927 0.334 -0.435) 1.078 3.059 ( 0.928 -2.181 1.031) 2.584 3.096 ( -2.014 -3.303 -0.703) 3.932 3.195 ( 1.059 -6.216 0.334) 6.315 3.329 ( 1.180 1.740 1.056) 2.353 3.378 ( 2.667 -0.924 1.738) 3.315 3.503 ( -2.164 5.110 -1.963) 5.886 3.707 ( -1.327 -4.780 -1.225) 5.110 3.910 ( 2.268 -2.197 0.157) 3.162 3.969 ( -0.268 -4.976 -1.128) 5.109 4.075 ( -3.579 0.191 2.747) 4.515 4.284 ( 4.711 -7.956 3.384) 9.845 4.573 ( 1.145 9.315 -2.102) 9.618 4.772 ( -1.078 2.012 -0.998) 2.491 5.093 ( 5.918 6.941 2.194) 9.382 5.388 ( -0.469 -1.563 2.068) 2.634 5.555 ( -1.285 4.407 -2.060) 5.032 5.762 ( 2.488 -7.561 2.301) 8.286 5.772 ( -5.370 -1.870 -1.435) 5.864 5.832 ( 1.595 -3.529 -0.383) 3.891 5.946 ( 0.629 3.253 4.387) 5.497 5.950 ( -0.658 2.483 -0.332) 2.590 6.092 ( -2.717 4.166 -1.058) 5.085 6.163 ( -2.506 -0.788 -2.467) 3.604 6.504 ( 3.958 -0.855 -0.386) 4.067 6.555 ( 0.564 -1.534 1.420) 2.165 6.694 ( -3.151 0.570 -0.421) 3.229 6.744 ( -1.873 1.096 -1.205) 2.482 7.012 ( 0.091 1.260 -2.924) 3.186 7.041 ( -3.161 1.729 3.782) 5.223 7.169 ( 1.003 0.247 -1.469) 1.796 7.244 ( -2.256 -2.533 0.220) 3.400 7.272 ( -2.489 6.489 -2.686) 7.451 7.452 ( -1.528 -3.005 -2.366) 4.119 7.664 ( -0.285 5.187 -2.043) 5.582 7.851 ( 4.632 -0.003 0.130) 4.634 7.947 ( 1.201 0.229 -1.873) 2.237 8.013 ( -0.378 -2.367 0.987) 2.592 8.025 ( -1.752 1.128 -0.848) 2.250 8.209 ( 0.461 -7.667 0.514) 7.698 8.378 ( 3.739 3.704 -3.306) 6.216 8.473 ( 5.141 -0.472 -4.042) 6.557 8.562 ( -4.313 -1.020 3.265) 5.505 8.635 ( 2.331 -1.658 -3.862) 4.806 8.720 ( -1.365 1.533 1.238) 2.397 8.813 ( -7.750 -1.882 3.934) 8.893 8.925 ( 0.547 8.263 -0.539) 8.299 8.981 ( -0.543 1.661 0.594) 1.846 9.052 ( -0.468 -2.372 0.944) 2.596 9.116 ( 1.633 2.211 -0.156) 2.753 9.152 ( -0.205 -0.693 1.886) 2.020 9.334 ( -1.126 -7.053 -0.335) 7.150 9.418 ( 2.362 12.166 0.391) 12.399 9.542 ( -1.841 14.130 -2.062) 14.398 9.833 ( 4.210 2.032 -2.154) 5.147 9.865 ( 0.861 -3.598 1.229) 3.899 9.895 ( 2.709 -0.289 -1.721) 3.223 9.926 ( -0.935 1.502 5.783) 6.047 10.050 ( 2.677 -0.212 6.389) 6.930 10.111 ( 0.410 1.120 1.286) 1.754 10.203 ( -4.040 -0.020 -1.982) 4.500 10.274 ( -3.605 0.430 -1.933) 4.113 10.839 ( 7.106 -5.602 -1.737) 9.214 10.948 ( -4.183 -4.965 3.141) 7.212 11.092 ( 0.331 -1.905 0.334) 1.962 11.239 ( 1.964 -14.889 5.344) 15.941 11.285 ( 2.044 -0.995 3.554) 4.219 11.341 ( -0.527 -9.570 -7.636) 12.254 11.470 ( -1.921 8.757 1.563) 9.100 11.726 ( 0.149 -0.333 -0.865) 0.939 11.917 ( 2.649 1.155 -0.117) 2.892 12.132 ( 1.631 -6.157 -0.749) 6.414 12.253 ( -1.851 -2.808 0.339) 3.381 12.411 ( -1.093 -9.427 -2.429) 9.796 12.585 ( 0.067 0.248 0.046) 0.261 12.715 ( -0.402 -9.775 -0.332) 9.789 12.998 ( -0.237 8.869 -0.211) 8.874 13.067 ( -1.639 16.527 2.428) 16.784 13.275 ( 4.282 0.910 1.952) 4.793 13.392 ( -1.639 -0.947 -0.688) 2.014 13.686 ( 0.163 1.378 -0.363) 1.435 14.030 ( 0.433 -8.147 0.150) 8.160 14.063 ( 1.597 5.266 1.142) 5.620 14.168 ( -2.298 12.560 -0.297) 12.772 14.313 ( 1.189 -4.883 0.384) 5.041 14.559 ( -1.518 -5.532 -0.482) 5.757 15.450 ( -0.974 7.878 -0.328) 7.945 15.707 ( 0.321 -3.408 0.719) 3.498 15.925 ( 0.639 -0.498 0.058) 0.812 15.938 ( -2.318 -1.100 -0.491) 2.612 ======================= Grid point 18 (11/111) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 -12.202 0.000) 12.202 0.570 ( 0.000 12.202 0.000) 12.202 0.922 ( 0.000 -23.396 0.000) 23.396 0.922 ( 0.000 23.396 0.000) 23.396 1.599 ( 0.000 -32.928 0.000) 32.928 1.599 ( 0.000 32.928 0.000) 32.928 2.128 ( 0.000 -2.552 0.000) 2.552 2.128 ( 0.000 2.552 0.000) 2.552 2.168 ( 0.000 -0.723 0.000) 0.723 2.168 ( 0.000 0.723 0.000) 0.723 2.327 ( 0.000 -0.820 0.000) 0.820 2.327 ( 0.000 0.820 0.000) 0.820 2.542 ( 0.000 -0.900 0.000) 0.900 2.542 ( 0.000 0.900 0.000) 0.900 2.722 ( 0.000 -2.625 0.000) 2.625 2.722 ( 0.000 2.625 0.000) 2.625 2.890 ( 0.000 -6.787 0.000) 6.787 2.890 ( 0.000 6.787 0.000) 6.787 3.076 ( 0.000 -2.424 0.000) 2.424 3.076 ( 0.000 2.424 0.000) 2.424 3.149 ( 0.000 -2.357 0.000) 2.357 3.149 ( 0.000 2.357 0.000) 2.357 3.259 ( 0.000 -2.516 0.000) 2.516 3.259 ( 0.000 2.516 0.000) 2.516 3.532 ( 0.000 -5.245 0.000) 5.245 3.532 ( 0.000 5.245 0.000) 5.245 4.181 ( 0.000 -2.375 0.000) 2.375 4.181 ( 0.000 2.375 0.000) 2.375 4.543 ( 0.000 -7.231 0.000) 7.231 4.543 ( 0.000 7.231 0.000) 7.231 4.639 ( 0.000 -4.394 0.000) 4.394 4.639 ( 0.000 4.394 0.000) 4.394 5.206 ( 0.000 -7.735 0.000) 7.735 5.206 ( 0.000 7.735 0.000) 7.735 5.584 ( 0.000 -6.192 0.000) 6.192 5.584 ( 0.000 6.192 0.000) 6.192 5.701 ( 0.000 -0.019 0.000) 0.019 5.701 ( 0.000 0.019 0.000) 0.019 6.042 ( 0.000 -0.061 0.000) 0.061 6.042 ( 0.000 0.061 0.000) 0.061 6.321 ( 0.000 -3.013 0.000) 3.013 6.321 ( 0.000 3.013 0.000) 3.013 6.750 ( 0.000 -0.589 0.000) 0.589 6.750 ( 0.000 0.589 0.000) 0.589 6.823 ( 0.000 -2.474 0.000) 2.474 6.823 ( 0.000 2.474 0.000) 2.474 6.903 ( 0.000 -4.461 0.000) 4.461 6.903 ( 0.000 4.461 0.000) 4.461 6.992 ( 0.000 -1.409 0.000) 1.409 6.992 ( 0.000 1.409 0.000) 1.409 7.406 ( 0.000 -1.544 0.000) 1.544 7.406 ( 0.000 1.544 0.000) 1.544 7.551 ( 0.000 -2.753 0.000) 2.753 7.551 ( 0.000 2.753 0.000) 2.753 8.141 ( 0.000 -2.546 0.000) 2.546 8.141 ( 0.000 2.546 0.000) 2.546 8.316 ( 0.000 -4.076 0.000) 4.076 8.316 ( 0.000 4.076 0.000) 4.076 8.389 ( 0.000 -3.642 0.000) 3.642 8.389 ( 0.000 3.642 0.000) 3.642 8.430 ( 0.000 -1.768 0.000) 1.768 8.430 ( 0.000 1.768 0.000) 1.768 8.657 ( 0.000 -1.567 0.000) 1.567 8.657 ( 0.000 1.567 0.000) 1.567 8.952 ( 0.000 -1.064 0.000) 1.064 8.952 ( 0.000 1.064 0.000) 1.064 9.041 ( 0.000 -13.549 0.000) 13.549 9.041 ( 0.000 13.549 0.000) 13.549 9.101 ( 0.000 -8.753 0.000) 8.753 9.101 ( 0.000 8.753 0.000) 8.753 9.415 ( 0.000 -3.632 0.000) 3.632 9.415 ( 0.000 3.632 0.000) 3.632 9.530 ( 0.000 -0.667 0.000) 0.667 9.530 ( 0.000 0.667 0.000) 0.667 9.755 ( 0.000 -7.575 0.000) 7.575 9.755 ( 0.000 7.575 0.000) 7.575 9.942 ( 0.000 -7.159 0.000) 7.159 9.942 ( 0.000 7.159 0.000) 7.159 10.024 ( 0.000 -6.543 0.000) 6.543 10.024 ( 0.000 6.543 0.000) 6.543 10.771 ( 0.000 -0.116 0.000) 0.116 10.771 ( 0.000 0.116 0.000) 0.116 11.266 ( 0.000 -3.640 0.000) 3.640 11.266 ( 0.000 3.640 0.000) 3.640 11.409 ( 0.000 -3.613 0.000) 3.613 11.409 ( 0.000 3.613 0.000) 3.613 11.606 ( 0.000 -5.243 0.000) 5.243 11.606 ( 0.000 5.243 0.000) 5.243 11.723 ( 0.000 -8.328 0.000) 8.328 11.723 ( 0.000 8.328 0.000) 8.328 12.283 ( 0.000 -1.720 0.000) 1.720 12.283 ( 0.000 1.720 0.000) 1.720 12.510 ( 0.000 -7.357 0.000) 7.357 12.510 ( 0.000 7.357 0.000) 7.357 12.939 ( 0.000 -0.375 0.000) 0.375 12.939 ( 0.000 0.375 0.000) 0.375 13.358 ( 0.000 -6.139 0.000) 6.139 13.358 ( 0.000 6.139 0.000) 6.139 13.825 ( 0.000 -11.678 0.000) 11.678 13.825 ( 0.000 11.678 0.000) 11.678 13.872 ( 0.000 -5.292 0.000) 5.292 13.872 ( 0.000 5.292 0.000) 5.292 14.903 ( 0.000 -13.770 0.000) 13.770 14.903 ( 0.000 13.770 0.000) 13.770 15.267 ( 0.000 -1.934 0.000) 1.934 15.267 ( 0.000 1.934 0.000) 1.934 16.567 ( 0.000 -3.525 0.000) 3.525 16.567 ( 0.000 3.525 0.000) 3.525 ======================= Grid point 20 (12/111) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 13.297 -8.857 2.221) 16.131 0.721 ( 13.297 8.857 2.221) 16.131 0.994 ( 8.572 -20.282 2.557) 22.167 0.994 ( 8.572 20.282 2.557) 22.167 1.775 ( 13.221 -20.141 2.892) 24.266 1.775 ( 13.221 20.141 2.892) 24.266 2.130 ( 0.066 -1.671 0.197) 1.684 2.130 ( 0.066 1.671 0.197) 1.684 2.167 ( -0.249 -0.613 1.062) 1.251 2.167 ( -0.249 0.613 1.062) 1.251 2.323 ( 0.080 -0.976 -1.181) 1.534 2.323 ( 0.080 0.976 -1.181) 1.534 2.540 ( -0.621 -1.631 0.555) 1.832 2.540 ( -0.621 1.631 0.555) 1.832 2.699 ( -1.422 -2.241 -0.616) 2.725 2.699 ( -1.422 2.241 -0.616) 2.725 2.878 ( -0.869 -6.874 0.193) 6.931 2.878 ( -0.869 6.874 0.193) 6.931 3.069 ( -1.238 -2.950 0.438) 3.229 3.069 ( -1.238 2.950 0.438) 3.229 3.148 ( -0.179 -2.930 1.106) 3.137 3.148 ( -0.179 2.930 1.106) 3.137 3.256 ( -0.115 -2.991 0.492) 3.033 3.256 ( -0.115 2.991 0.492) 3.033 3.531 ( -0.462 -5.809 2.272) 6.255 3.531 ( -0.462 5.809 2.272) 6.255 4.101 ( -8.676 -4.423 -3.516) 10.354 4.101 ( -8.676 4.423 -3.516) 10.354 4.266 ( -8.697 -1.806 -2.812) 9.317 4.266 ( -8.697 1.806 -2.812) 9.317 4.793 ( 4.201 -5.351 -2.303) 7.182 4.793 ( 4.201 5.351 -2.303) 7.182 5.187 ( -2.344 -8.002 2.613) 8.738 5.187 ( -2.344 8.002 2.613) 8.738 5.589 ( -0.284 -4.147 1.595) 4.452 5.589 ( -0.284 4.147 1.595) 4.452 5.738 ( 3.425 -1.534 -0.748) 3.827 5.738 ( 3.425 1.534 -0.748) 3.827 6.033 ( 0.756 -3.118 -1.809) 3.683 6.033 ( 0.756 3.118 -1.809) 3.683 6.274 ( -3.096 -2.595 -1.125) 4.194 6.274 ( -3.096 2.595 -1.125) 4.194 6.682 ( -2.609 -4.137 -1.278) 5.055 6.682 ( -2.609 4.137 -1.278) 5.055 6.777 ( -3.568 -3.953 1.779) 5.614 6.777 ( -3.568 3.953 1.779) 5.614 6.977 ( 3.667 -2.050 0.915) 4.300 6.977 ( 3.667 2.050 0.915) 4.300 7.185 ( 7.198 -7.968 4.548) 11.661 7.185 ( 7.198 7.968 4.548) 11.661 7.450 ( 1.307 -2.765 2.147) 3.737 7.450 ( 1.307 2.765 2.147) 3.737 7.651 ( 5.705 -1.187 8.270) 10.117 7.651 ( 5.705 1.187 8.270) 10.117 8.200 ( 0.500 -3.281 -6.569) 7.360 8.200 ( 0.500 3.281 -6.569) 7.360 8.282 ( -4.320 -1.984 -4.081) 6.265 8.282 ( -4.320 1.984 -4.081) 6.265 8.335 ( -0.368 -4.212 1.169) 4.387 8.335 ( -0.368 4.212 1.169) 4.387 8.526 ( 10.482 -5.700 -7.896) 14.308 8.526 ( 10.482 5.700 -7.896) 14.308 8.685 ( 7.167 -3.367 0.139) 7.920 8.685 ( 7.167 3.367 0.139) 7.920 8.979 ( 1.669 -1.997 3.694) 4.519 8.979 ( 1.669 1.997 3.694) 4.519 9.036 ( 0.161 -11.022 -3.453) 11.551 9.036 ( 0.161 11.022 -3.453) 11.551 9.112 ( 1.830 -5.014 1.833) 5.643 9.112 ( 1.830 5.014 1.833) 5.643 9.409 ( -0.178 -3.697 0.220) 3.708 9.409 ( -0.178 3.697 0.220) 3.708 9.587 ( 2.817 -1.517 6.229) 7.003 9.587 ( 2.817 1.517 6.229) 7.003 9.753 ( -0.740 -10.451 0.836) 10.511 9.753 ( -0.740 10.451 0.836) 10.511 9.949 ( 0.817 -11.536 2.079) 11.750 9.949 ( 0.817 11.536 2.079) 11.750 10.170 ( 10.680 -18.015 3.317) 21.204 10.170 ( 10.680 18.015 3.317) 21.204 10.733 ( -3.623 -10.164 1.483) 10.892 10.733 ( -3.623 10.164 1.483) 10.892 11.237 ( -4.341 -0.740 -0.718) 4.462 11.237 ( -4.341 0.740 -0.718) 4.462 11.424 ( 2.357 -0.977 -0.838) 2.685 11.424 ( 2.357 0.977 -0.838) 2.685 11.545 ( -3.834 -5.809 -0.148) 6.962 11.545 ( -3.834 5.809 -0.148) 6.962 11.769 ( 3.710 -8.245 0.985) 9.094 11.769 ( 3.710 8.245 0.985) 9.094 12.309 ( 2.770 -1.093 -3.093) 4.293 12.309 ( 2.770 1.093 -3.093) 4.293 12.539 ( 2.295 -4.224 1.246) 4.966 12.539 ( 2.295 4.224 1.246) 4.966 12.959 ( 1.955 -1.018 0.803) 2.345 12.959 ( 1.955 1.018 0.803) 2.345 13.361 ( -0.764 -5.914 3.392) 6.861 13.361 ( -0.764 5.914 3.392) 6.861 13.820 ( -0.459 -11.373 0.439) 11.390 13.820 ( -0.459 11.373 0.439) 11.390 13.917 ( 3.899 -6.081 1.454) 7.368 13.917 ( 3.899 6.081 1.454) 7.368 14.766 ( -9.075 -12.659 -3.994) 16.080 14.766 ( -9.075 12.659 -3.994) 16.080 15.398 ( 8.504 -2.346 3.837) 9.620 15.398 ( 8.504 2.346 3.837) 9.620 16.407 ( -13.154 -8.192 -3.516) 15.891 16.407 ( -13.154 8.192 -3.516) 15.891 ======================= Grid point 22 (13/111) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 16.819 -4.530 4.080) 17.890 1.037 ( 16.819 4.530 4.080) 17.890 1.271 ( 16.941 -14.241 3.290) 22.374 1.271 ( 16.941 14.241 3.290) 22.374 1.976 ( 5.871 -2.574 -0.536) 6.433 1.976 ( 5.871 2.574 -0.536) 6.433 2.126 ( -1.028 -1.294 0.522) 1.733 2.126 ( -1.028 1.294 0.522) 1.733 2.175 ( -0.219 -0.437 2.562) 2.608 2.175 ( -0.219 0.437 2.562) 2.608 2.317 ( -0.442 -1.145 -0.899) 1.522 2.317 ( -0.442 1.145 -0.899) 1.522 2.504 ( -4.067 -0.982 0.561) 4.222 2.504 ( -4.067 0.982 0.561) 4.222 2.715 ( 3.644 -3.094 0.788) 4.845 2.715 ( 3.644 3.094 0.788) 4.845 2.878 ( 1.046 -3.324 -0.326) 3.500 2.878 ( 1.046 3.324 -0.326) 3.500 3.043 ( -0.916 -2.874 -0.490) 3.056 3.043 ( -0.916 2.874 -0.490) 3.056 3.134 ( -3.018 -4.227 1.974) 5.556 3.134 ( -3.018 4.227 1.974) 5.556 3.269 ( 1.090 -1.673 0.350) 2.027 3.269 ( 1.090 1.673 0.350) 2.027 3.572 ( 4.122 -6.105 3.071) 7.981 3.572 ( 4.122 6.105 3.071) 7.981 3.923 ( -6.163 -7.385 -2.130) 9.852 3.923 ( -6.163 7.385 -2.130) 9.852 4.158 ( -4.623 -0.150 0.765) 4.688 4.158 ( -4.623 0.150 0.765) 4.688 4.789 ( -1.012 -4.693 -5.553) 7.340 4.789 ( -1.012 4.693 -5.553) 7.340 5.162 ( -1.715 -10.060 4.147) 11.016 5.162 ( -1.715 10.060 4.147) 11.016 5.609 ( 1.176 -2.617 2.370) 3.721 5.609 ( 1.176 2.617 2.370) 3.721 5.791 ( 2.199 -3.212 0.464) 3.920 5.791 ( 2.199 3.212 0.464) 3.920 6.052 ( 1.089 -2.763 -4.274) 5.205 6.052 ( 1.089 2.763 -4.274) 5.205 6.214 ( -1.912 -2.694 0.420) 3.330 6.214 ( -1.912 2.694 0.420) 3.330 6.590 ( -5.167 -5.511 -1.760) 7.757 6.590 ( -5.167 5.511 -1.760) 7.757 6.760 ( -0.923 -2.140 2.158) 3.176 6.760 ( -0.923 2.140 2.158) 3.176 7.049 ( 4.575 -1.613 -2.894) 5.648 7.049 ( 4.575 1.613 -2.894) 5.648 7.242 ( -2.078 -6.351 4.706) 8.173 7.242 ( -2.078 6.351 4.706) 8.173 7.494 ( 1.248 -3.948 -0.078) 4.141 7.494 ( 1.248 3.948 -0.078) 4.141 7.748 ( 2.139 -5.494 3.034) 6.630 7.748 ( 2.139 5.494 3.034) 6.630 8.081 ( -7.270 -0.958 -8.024) 10.870 8.081 ( -7.270 0.958 -8.024) 10.870 8.137 ( -4.812 -2.388 -1.340) 5.536 8.137 ( -4.812 2.388 -1.340) 5.536 8.354 ( 2.298 -6.059 -3.825) 7.525 8.354 ( 2.298 6.059 -3.825) 7.525 8.583 ( 1.989 -4.639 -5.778) 7.672 8.583 ( 1.989 4.639 -5.778) 7.672 8.904 ( 6.084 -1.827 2.211) 6.726 8.904 ( 6.084 1.827 2.211) 6.726 8.986 ( -2.779 -6.923 -0.230) 7.463 8.986 ( -2.779 6.923 -0.230) 7.463 9.071 ( 5.722 -5.852 -2.553) 8.573 9.071 ( 5.722 5.852 -2.553) 8.573 9.183 ( 1.191 -5.996 4.994) 7.894 9.183 ( 1.191 5.996 4.994) 7.894 9.483 ( 8.434 -1.537 3.717) 9.344 9.483 ( 8.434 1.537 3.717) 9.344 9.657 ( 0.930 -3.723 6.424) 7.483 9.657 ( 0.930 3.723 6.424) 7.483 9.761 ( 1.951 -5.274 1.476) 5.813 9.761 ( 1.951 5.274 1.476) 5.813 9.979 ( 1.427 -13.082 -1.183) 13.213 9.979 ( 1.427 13.082 -1.183) 13.213 10.339 ( 3.711 -17.753 -0.102) 18.137 10.339 ( 3.711 17.753 -0.102) 18.137 10.692 ( -2.228 -17.424 8.549) 19.535 10.692 ( -2.228 17.424 8.549) 19.535 11.126 ( -5.133 -2.685 -1.100) 5.897 11.126 ( -5.133 2.685 -1.100) 5.897 11.393 ( -3.831 -5.538 -2.904) 7.334 11.393 ( -3.831 5.538 -2.904) 7.334 11.553 ( 2.995 -4.537 0.716) 5.483 11.553 ( 2.995 4.537 0.716) 5.483 11.868 ( 5.205 -7.797 1.995) 9.585 11.868 ( 5.205 7.797 1.995) 9.585 12.327 ( 1.298 -2.649 -5.293) 6.060 12.327 ( 1.298 2.649 -5.293) 6.060 12.586 ( 1.611 -2.044 0.472) 2.645 12.586 ( 1.611 2.044 0.472) 2.645 13.025 ( 4.054 -2.104 1.625) 4.847 13.025 ( 4.054 2.104 1.625) 4.847 13.362 ( -1.699 -5.316 5.106) 7.564 13.362 ( -1.699 5.316 5.106) 7.564 13.815 ( -0.320 -12.087 0.359) 12.096 13.815 ( -0.320 12.087 0.359) 12.096 14.020 ( 5.322 -7.468 2.058) 9.398 14.020 ( 5.322 7.468 2.058) 9.398 14.587 ( -7.114 -11.783 -2.967) 14.080 14.587 ( -7.114 11.783 -2.967) 14.080 15.558 ( 5.581 -2.122 2.765) 6.580 15.558 ( 5.581 2.122 2.765) 6.580 16.131 ( -11.894 -9.965 -3.159) 15.835 16.131 ( -11.894 9.965 -3.159) 15.835 ======================= Grid point 24 (14/111) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 15.843 -1.596 4.182) 16.463 1.378 ( 15.843 1.596 4.182) 16.463 1.608 ( 15.221 -11.330 2.491) 19.138 1.608 ( 15.221 11.330 2.491) 19.138 2.038 ( -1.193 -1.060 0.452) 1.659 2.038 ( -1.193 1.060 0.452) 1.659 2.112 ( 2.851 -2.596 -0.136) 3.858 2.112 ( 2.851 2.596 -0.136) 3.858 2.177 ( -0.436 -0.796 1.266) 1.558 2.177 ( -0.436 0.796 1.266) 1.558 2.292 ( -1.770 -1.870 0.316) 2.595 2.292 ( -1.770 1.870 0.316) 2.595 2.396 ( -6.173 -4.777 -0.999) 7.869 2.396 ( -6.173 4.777 -0.999) 7.869 2.782 ( 1.323 -0.615 1.135) 1.848 2.782 ( 1.323 0.615 1.135) 1.848 2.894 ( -0.765 -3.662 -0.166) 3.745 2.894 ( -0.765 3.662 -0.166) 3.745 3.023 ( -2.248 -2.635 -3.551) 4.961 3.023 ( -2.248 2.635 -3.551) 4.961 3.075 ( -1.181 -1.109 2.328) 2.837 3.075 ( -1.181 1.109 2.328) 2.837 3.301 ( 2.065 -0.718 1.191) 2.489 3.301 ( 2.065 0.718 1.191) 2.489 3.666 ( 1.489 -2.235 -1.903) 3.292 3.666 ( 1.489 2.235 -1.903) 3.292 3.862 ( 0.238 -1.037 1.705) 2.010 3.862 ( 0.238 1.037 1.705) 2.010 4.102 ( -1.363 -0.905 4.714) 4.990 4.102 ( -1.363 0.905 4.714) 4.990 4.737 ( -0.266 -6.751 -5.603) 8.777 4.737 ( -0.266 6.751 -5.603) 8.777 5.185 ( 1.844 -12.018 4.470) 12.954 5.185 ( 1.844 12.018 4.470) 12.954 5.646 ( 1.000 -3.522 1.674) 4.025 5.646 ( 1.000 3.522 1.674) 4.025 5.819 ( -0.295 -2.604 -0.588) 2.685 5.819 ( -0.295 2.604 -0.588) 2.685 5.997 ( -3.226 -1.480 0.138) 3.552 5.997 ( -3.226 1.480 0.138) 3.552 6.201 ( -1.225 -2.430 -1.928) 3.335 6.201 ( -1.225 2.430 -1.928) 3.335 6.510 ( -1.485 -4.048 -0.691) 4.367 6.510 ( -1.485 4.048 -0.691) 4.367 6.745 ( -1.296 -0.434 0.871) 1.621 6.745 ( -1.296 0.434 0.871) 1.621 7.107 ( 1.910 -3.327 -2.114) 4.380 7.107 ( 1.910 3.327 -2.114) 4.380 7.196 ( -3.968 -7.024 1.787) 8.263 7.196 ( -3.968 7.024 1.787) 8.263 7.455 ( -3.177 -2.492 -3.236) 5.174 7.455 ( -3.177 2.492 -3.236) 5.174 7.788 ( 1.114 -6.705 -2.202) 7.145 7.788 ( 1.114 6.705 -2.202) 7.145 7.955 ( -1.235 -2.835 -1.670) 3.514 7.955 ( -1.235 2.835 -1.670) 3.514 8.081 ( -0.784 -1.943 -1.062) 2.349 8.081 ( -0.784 1.943 -1.062) 2.349 8.391 ( 4.266 -5.173 -4.865) 8.284 8.391 ( 4.266 5.173 -4.865) 8.284 8.580 ( 0.875 -4.066 -4.233) 5.934 8.580 ( 0.875 4.066 -4.233) 5.934 8.890 ( -6.995 -4.981 3.069) 9.119 8.890 ( -6.995 4.981 3.069) 9.119 8.982 ( 1.762 -2.740 2.065) 3.857 8.982 ( 1.762 2.740 2.065) 3.857 9.097 ( -0.723 -5.077 -1.436) 5.326 9.097 ( -0.723 5.077 -1.436) 5.326 9.200 ( -0.914 -3.931 1.088) 4.180 9.200 ( -0.914 3.931 1.088) 4.180 9.651 ( 2.582 -13.943 5.037) 15.048 9.651 ( 2.582 13.943 5.037) 15.048 9.755 ( 5.550 -4.596 0.605) 7.231 9.755 ( 5.550 4.596 0.605) 7.231 9.835 ( 4.694 -2.240 4.696) 7.007 9.835 ( 4.694 2.240 4.696) 7.007 10.015 ( 4.755 -13.624 -2.132) 14.587 10.015 ( 4.755 13.624 -2.132) 14.587 10.297 ( -5.710 -10.030 -0.826) 11.571 10.297 ( -5.710 10.030 -0.826) 11.571 10.761 ( 2.456 -13.540 9.384) 16.656 10.761 ( 2.456 13.540 9.384) 16.656 11.053 ( -1.861 -2.387 -1.481) 3.370 11.053 ( -1.861 2.387 -1.481) 3.370 11.312 ( -2.997 -3.761 -0.598) 4.847 11.312 ( -2.997 3.761 -0.598) 4.847 11.611 ( 3.114 -7.329 -0.726) 7.996 11.611 ( 3.114 7.329 -0.726) 7.996 11.957 ( 2.603 -7.914 1.837) 8.531 11.957 ( 2.603 7.914 1.837) 8.531 12.302 ( -0.483 -4.822 -5.209) 7.115 12.302 ( -0.483 4.822 -5.209) 7.115 12.602 ( 0.304 -3.186 -0.647) 3.266 12.602 ( 0.304 3.186 -0.647) 3.266 13.109 ( 2.950 -3.416 1.765) 4.846 13.109 ( 2.950 3.416 1.765) 4.846 13.355 ( -1.514 -5.073 3.973) 6.619 13.355 ( -1.514 5.073 3.973) 6.619 13.813 ( -0.008 -12.375 0.127) 12.376 13.813 ( -0.008 12.375 0.127) 12.376 14.126 ( 4.289 -7.830 1.684) 9.086 14.126 ( 4.289 7.830 1.684) 9.086 14.466 ( -4.264 -10.945 -1.519) 11.844 14.466 ( -4.264 10.945 -1.519) 11.844 15.624 ( 0.208 -4.788 0.632) 4.834 15.624 ( 0.208 4.788 0.632) 4.834 15.960 ( -4.491 -4.700 -0.967) 6.572 15.960 ( -4.491 4.700 -0.967) 6.572 ======================= Grid point 26 (15/111) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 11.728 -0.136 3.130) 12.140 1.669 ( 11.728 0.136 3.130) 12.140 1.849 ( 6.576 -5.380 -0.155) 8.498 1.849 ( 6.576 5.380 -0.155) 8.498 1.943 ( -4.190 -2.591 0.605) 4.964 1.943 ( -4.190 2.591 0.605) 4.964 2.127 ( -6.184 -4.873 -1.107) 7.951 2.127 ( -6.184 4.873 -1.107) 7.951 2.164 ( -0.724 -1.098 -0.158) 1.325 2.164 ( -0.724 1.098 -0.158) 1.325 2.310 ( 0.012 -1.501 0.444) 1.566 2.310 ( 0.012 1.501 0.444) 1.566 2.356 ( 6.627 -1.437 1.771) 7.008 2.356 ( 6.627 1.437 1.771) 7.008 2.742 ( -5.739 -4.003 -1.865) 7.241 2.742 ( -5.739 4.003 -1.865) 7.241 2.842 ( -1.451 -2.336 0.164) 2.755 2.842 ( -1.451 2.336 0.164) 2.755 2.977 ( -0.372 -5.301 -0.625) 5.350 2.977 ( -0.372 5.301 -0.625) 5.350 3.091 ( 0.558 -3.032 -0.066) 3.084 3.091 ( 0.558 3.032 -0.066) 3.084 3.357 ( 2.139 -1.330 1.611) 2.990 3.357 ( 2.139 1.330 1.611) 2.990 3.620 ( -2.283 -6.294 -2.029) 6.996 3.620 ( -2.283 6.294 -2.029) 6.996 3.870 ( -0.512 -1.006 0.053) 1.130 3.870 ( -0.512 1.006 0.053) 1.130 4.161 ( 2.355 -5.667 3.474) 7.052 4.161 ( 2.355 5.667 3.474) 7.052 4.722 ( 0.633 -6.210 -2.233) 6.630 4.722 ( 0.633 6.210 -2.233) 6.630 5.274 ( 3.833 -10.146 2.577) 11.148 5.274 ( 3.833 10.146 2.577) 11.148 5.650 ( -1.073 -5.268 -0.027) 5.376 5.650 ( -1.073 5.268 -0.027) 5.376 5.769 ( -2.365 -2.130 -0.933) 3.317 5.769 ( -2.365 2.130 -0.933) 3.317 5.983 ( -0.223 -0.463 2.441) 2.494 5.983 ( -0.223 0.463 2.441) 2.494 6.141 ( -1.956 -1.589 -2.388) 3.471 6.141 ( -1.956 1.589 -2.388) 3.471 6.515 ( 0.818 -1.902 0.332) 2.097 6.515 ( 0.818 1.902 0.332) 2.097 6.728 ( -0.534 -2.293 -0.208) 2.364 6.728 ( -0.534 2.293 -0.208) 2.364 7.053 ( -3.552 -1.769 -0.526) 4.003 7.053 ( -3.552 1.769 -0.526) 4.003 7.182 ( 0.546 -2.383 0.246) 2.457 7.182 ( 0.546 2.383 0.246) 2.457 7.385 ( -1.501 -4.602 -2.889) 5.637 7.385 ( -1.501 4.602 -2.889) 5.637 7.799 ( 1.181 -7.020 -0.556) 7.140 7.799 ( 1.181 7.020 -0.556) 7.140 7.957 ( 0.097 -1.812 0.458) 1.872 7.957 ( 0.097 1.812 0.458) 1.872 8.078 ( 0.470 -4.829 -0.836) 4.923 8.078 ( 0.470 4.829 -0.836) 4.923 8.448 ( 2.904 -3.167 -2.337) 4.891 8.448 ( 2.904 3.167 -2.337) 4.891 8.578 ( 1.157 -3.084 -2.549) 4.165 8.578 ( 1.157 3.084 -2.549) 4.165 8.770 ( -5.769 -2.782 2.889) 7.026 8.770 ( -5.769 2.782 2.889) 7.026 9.008 ( -0.164 -2.062 1.183) 2.383 9.008 ( -0.164 2.062 1.183) 2.383 9.108 ( 3.436 -6.402 -2.358) 7.639 9.108 ( 3.436 6.402 -2.358) 7.639 9.167 ( -3.204 -5.607 1.817) 6.709 9.167 ( -3.204 5.607 1.817) 6.709 9.656 ( -1.376 -8.512 0.224) 8.625 9.656 ( -1.376 8.512 0.224) 8.625 9.823 ( 2.311 -3.092 -0.775) 3.937 9.823 ( 2.311 3.092 -0.775) 3.937 9.942 ( 1.929 -1.845 3.922) 4.745 9.942 ( 1.929 1.845 3.922) 4.745 10.097 ( 1.338 -5.637 -0.288) 5.801 10.097 ( 1.338 5.637 -0.288) 5.801 10.218 ( -0.102 -5.349 -0.125) 5.351 10.218 ( -0.102 5.349 -0.125) 5.351 10.826 ( 0.205 -8.503 3.173) 9.078 10.826 ( 0.205 8.503 3.173) 9.078 11.032 ( -0.010 -3.206 -0.586) 3.259 11.032 ( -0.010 3.206 -0.586) 3.259 11.278 ( -0.718 -0.499 0.281) 0.918 11.278 ( -0.718 0.499 0.281) 0.918 11.659 ( 1.706 -7.835 -0.295) 8.024 11.659 ( 1.706 7.835 -0.295) 8.024 11.991 ( 0.467 -7.242 0.912) 7.315 11.991 ( 0.467 7.242 0.912) 7.315 12.264 ( -0.691 -4.573 -2.579) 5.295 12.264 ( -0.691 4.573 -2.579) 5.295 12.601 ( 0.013 -2.521 -0.348) 2.545 12.601 ( 0.013 2.521 -0.348) 2.545 13.146 ( 0.346 -4.992 0.880) 5.081 13.146 ( 0.346 4.992 0.880) 5.081 13.356 ( -0.146 -3.783 1.249) 3.986 13.356 ( -0.146 3.783 1.249) 3.986 13.814 ( 0.063 -12.277 0.020) 12.277 13.814 ( 0.063 12.277 0.020) 12.277 14.191 ( 1.663 -7.459 0.678) 7.672 14.191 ( 1.663 7.459 0.678) 7.672 14.405 ( -1.499 -11.072 -0.469) 11.183 14.405 ( -1.499 11.072 -0.469) 11.183 15.604 ( -1.114 -7.590 -0.195) 7.674 15.604 ( -1.114 7.590 -0.195) 7.674 15.922 ( -0.351 -0.385 0.085) 0.528 15.922 ( -0.351 0.385 0.085) 0.528 ======================= Grid point 45 (16/111) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 1.571 0.000 18.544) 18.610 0.488 ( 8.924 0.000 25.208) 26.741 0.910 ( -3.295 0.000 43.953) 44.077 1.089 ( -5.775 0.000 23.784) 24.475 1.547 ( 0.248 0.000 3.869) 3.877 1.937 ( -2.490 0.000 -3.523) 4.314 2.124 ( -1.736 0.000 0.871) 1.943 2.223 ( -1.378 0.000 0.526) 1.475 2.266 ( 0.846 0.000 5.976) 6.036 2.273 ( -0.528 0.000 5.386) 5.412 2.337 ( -1.886 0.000 5.899) 6.194 2.358 ( 1.191 0.000 0.544) 1.310 2.431 ( 1.753 0.000 3.919) 4.293 2.603 ( -3.371 0.000 -2.141) 3.993 2.663 ( 4.253 0.000 2.075) 4.732 2.730 ( -1.454 0.000 -1.382) 2.006 2.828 ( -2.162 0.000 1.102) 2.427 3.019 ( 1.584 0.000 1.488) 2.173 3.096 ( 0.745 0.000 -2.600) 2.704 3.102 ( -0.092 0.000 -4.390) 4.391 3.142 ( 0.017 0.000 3.948) 3.948 3.319 ( -3.442 0.000 13.846) 14.267 3.450 ( 0.425 0.000 6.928) 6.941 3.473 ( -4.980 0.000 15.001) 15.806 3.506 ( -0.866 0.000 8.348) 8.393 3.773 ( 1.511 0.000 5.531) 5.734 3.984 ( -4.311 0.000 -5.219) 6.769 4.192 ( 4.255 0.000 -1.124) 4.400 4.202 ( 0.345 0.000 1.031) 1.088 4.266 ( -4.277 0.000 -3.883) 5.776 4.656 ( -1.529 0.000 6.610) 6.784 4.805 ( -6.085 0.000 -3.241) 6.894 4.920 ( 3.449 0.000 -3.988) 5.272 5.423 ( 4.677 0.000 -0.927) 4.768 5.590 ( -3.589 0.000 -1.660) 3.954 5.632 ( 6.795 0.000 3.747) 7.760 5.669 ( 0.911 0.000 0.361) 0.980 5.714 ( 1.323 0.000 2.141) 2.517 5.960 ( -6.171 0.000 -0.650) 6.205 6.035 ( -2.677 0.000 -0.960) 2.844 6.158 ( 0.999 0.000 1.417) 1.734 6.287 ( -1.118 0.000 -4.074) 4.225 6.678 ( 3.361 0.000 -4.246) 5.415 6.733 ( 4.043 0.000 -1.417) 4.284 6.814 ( 4.504 0.000 -2.865) 5.338 6.833 ( -12.152 0.000 5.297) 13.257 6.854 ( -0.471 0.000 -2.624) 2.666 6.948 ( 0.261 0.000 4.328) 4.336 7.091 ( 0.528 0.000 7.778) 7.796 7.299 ( 2.188 0.000 -2.277) 3.157 7.442 ( -0.984 0.000 -0.344) 1.042 7.537 ( -1.279 0.000 -2.264) 2.600 7.762 ( 6.178 0.000 10.662) 12.323 7.787 ( 10.591 0.000 3.468) 11.144 7.992 ( 8.538 0.000 -5.366) 10.084 8.016 ( 1.815 0.000 -13.211) 13.335 8.154 ( -6.098 0.000 -1.706) 6.332 8.207 ( 0.344 0.000 -6.209) 6.219 8.327 ( -3.060 0.000 -5.617) 6.396 8.388 ( 0.523 0.000 -3.393) 3.434 8.464 ( -1.479 0.000 0.373) 1.525 8.523 ( -1.760 0.000 -5.973) 6.227 8.656 ( -5.283 0.000 1.859) 5.600 8.815 ( -3.366 0.000 2.527) 4.209 8.821 ( 3.610 0.000 -12.274) 12.794 8.833 ( 1.213 0.000 6.419) 6.533 8.862 ( 1.569 0.000 -8.325) 8.471 9.164 ( 4.020 0.000 3.244) 5.166 9.217 ( -1.391 0.000 -0.014) 1.391 9.286 ( -10.800 0.000 -0.320) 10.805 9.319 ( -3.518 0.000 0.219) 3.525 9.549 ( 0.795 0.000 4.327) 4.400 9.606 ( 3.348 0.000 4.316) 5.462 9.661 ( -7.932 0.000 13.567) 15.716 9.717 ( -0.083 0.000 5.140) 5.141 9.877 ( -16.074 0.000 9.353) 18.597 9.883 ( 5.675 0.000 10.696) 12.109 10.186 ( 1.206 0.000 -1.052) 1.600 10.217 ( 5.046 0.000 16.295) 17.059 10.796 ( -4.668 0.000 -12.781) 13.607 11.090 ( -5.406 0.000 -3.058) 6.211 11.151 ( 2.560 0.000 0.051) 2.561 11.169 ( -0.737 0.000 -2.238) 2.357 11.276 ( 9.172 0.000 -8.149) 12.269 11.387 ( 3.043 0.000 4.920) 5.785 11.550 ( 2.692 0.000 -10.580) 10.917 11.623 ( -7.189 0.000 5.720) 9.187 11.688 ( -3.343 0.000 -4.546) 5.643 11.911 ( -6.202 0.000 1.169) 6.311 12.076 ( -2.317 0.000 6.936) 7.313 12.378 ( 3.472 0.000 4.832) 5.950 12.612 ( 2.314 0.000 16.850) 17.008 12.653 ( -3.686 0.000 0.188) 3.691 12.747 ( -2.581 0.000 -0.171) 2.586 12.818 ( -1.353 0.000 -1.440) 1.976 12.884 ( -1.096 0.000 -1.671) 1.999 13.010 ( -0.200 0.000 -0.769) 0.794 13.424 ( 0.990 0.000 -0.874) 1.321 13.691 ( 0.091 0.000 -1.572) 1.574 13.759 ( 2.168 0.000 -0.806) 2.312 13.996 ( 3.160 0.000 0.008) 3.160 14.192 ( 0.167 0.000 5.125) 5.128 14.262 ( 0.331 0.000 -3.736) 3.751 15.071 ( -7.683 0.000 -5.135) 9.242 15.304 ( 6.477 0.000 5.148) 8.274 15.389 ( 17.447 0.000 -1.061) 17.479 15.445 ( -0.147 0.000 -1.454) 1.461 16.555 ( -0.191 0.000 -9.204) 9.206 ======================= Grid point 46 (17/111) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 17.628 0.000 11.320) 20.950 0.856 ( 11.377 0.000 24.097) 26.647 1.182 ( 1.576 0.000 21.976) 22.032 1.427 ( 28.668 0.000 28.285) 40.273 1.610 ( 4.510 0.000 5.269) 6.935 1.829 ( -4.768 0.000 -3.076) 5.674 2.116 ( -0.096 0.000 1.549) 1.552 2.200 ( -1.292 0.000 0.378) 1.346 2.284 ( -2.039 0.000 6.446) 6.760 2.294 ( -1.647 0.000 5.385) 5.632 2.335 ( -1.664 0.000 4.579) 4.872 2.344 ( -2.728 0.000 2.438) 3.659 2.458 ( -0.040 0.000 2.278) 2.278 2.496 ( -6.282 0.000 -2.215) 6.662 2.738 ( 1.747 0.000 2.511) 3.060 2.739 ( 1.803 0.000 -1.028) 2.076 2.795 ( -1.588 0.000 -0.081) 1.590 3.076 ( 0.611 0.000 -3.898) 3.946 3.086 ( 2.884 0.000 2.611) 3.891 3.121 ( 2.703 0.000 -3.712) 4.592 3.129 ( -3.616 0.000 2.475) 4.382 3.345 ( -2.347 0.000 16.476) 16.643 3.455 ( -6.596 0.000 18.391) 19.538 3.467 ( -3.187 0.000 6.458) 7.201 3.558 ( 0.582 0.000 9.191) 9.209 3.803 ( -9.664 0.000 -5.480) 11.110 3.852 ( 3.718 0.000 6.076) 7.123 4.131 ( -2.305 0.000 -6.055) 6.479 4.222 ( -0.111 0.000 2.534) 2.537 4.268 ( 0.434 0.000 -1.770) 1.822 4.628 ( -6.506 0.000 -4.230) 7.760 4.737 ( 2.406 0.000 1.902) 3.067 4.953 ( 0.734 0.000 -0.190) 0.758 5.503 ( 3.293 0.000 0.287) 3.305 5.513 ( -2.218 0.000 -2.537) 3.370 5.685 ( 0.146 0.000 0.933) 0.944 5.757 ( 1.344 0.000 6.560) 6.696 5.797 ( 5.997 0.000 -0.181) 6.000 5.843 ( -4.022 0.000 -2.498) 4.734 5.994 ( -0.649 0.000 -1.950) 2.055 6.129 ( -2.176 0.000 -0.007) 2.176 6.241 ( -2.161 0.000 -0.831) 2.315 6.643 ( -9.338 0.000 3.227) 9.880 6.743 ( 5.412 0.000 -2.984) 6.180 6.751 ( -0.826 0.000 -3.436) 3.534 6.826 ( -0.007 0.000 -1.128) 1.128 6.873 ( 3.482 0.000 -9.769) 10.371 6.963 ( 0.148 0.000 1.180) 1.189 7.128 ( -1.021 0.000 8.567) 8.627 7.393 ( 7.297 0.000 -1.675) 7.487 7.433 ( -0.103 0.000 -0.742) 0.749 7.496 ( -2.649 0.000 -1.505) 3.047 7.901 ( 4.387 0.000 -2.138) 4.880 7.917 ( 0.673 0.000 -9.371) 9.395 7.946 ( -8.887 0.000 1.757) 9.058 8.009 ( -12.183 0.000 -6.468) 13.794 8.058 ( 8.138 0.000 -1.310) 8.243 8.191 ( -4.455 0.000 -3.404) 5.606 8.329 ( -9.404 0.000 1.298) 9.493 8.391 ( 21.562 0.000 0.160) 21.563 8.395 ( -5.557 0.000 6.055) 8.218 8.493 ( 3.917 0.000 1.091) 4.066 8.551 ( -1.369 0.000 -4.196) 4.413 8.789 ( -0.153 0.000 -1.690) 1.697 8.821 ( 5.345 0.000 -16.242) 17.099 8.875 ( 3.518 0.000 -4.417) 5.647 8.909 ( 2.994 0.000 6.134) 6.826 9.175 ( 0.457 0.000 9.016) 9.027 9.220 ( 2.251 0.000 -2.175) 3.130 9.294 ( -1.591 0.000 1.772) 2.382 9.319 ( 5.628 0.000 11.047) 12.398 9.454 ( -6.028 0.000 5.625) 8.245 9.643 ( -8.063 0.000 11.709) 14.217 9.704 ( -0.262 0.000 10.269) 10.273 9.709 ( 2.221 0.000 4.396) 4.925 9.808 ( 2.474 0.000 3.538) 4.317 10.050 ( 5.923 0.000 7.574) 9.615 10.197 ( 0.009 0.000 1.685) 1.685 10.352 ( -3.379 0.000 19.843) 20.129 10.619 ( -4.913 0.000 -14.795) 15.590 10.963 ( -3.331 0.000 -1.758) 3.766 11.084 ( -7.663 0.000 -1.869) 7.887 11.150 ( 0.311 0.000 -1.702) 1.730 11.355 ( -6.219 0.000 -1.642) 6.432 11.430 ( 7.182 0.000 -6.544) 9.717 11.497 ( -6.022 0.000 5.260) 7.996 11.508 ( -3.158 0.000 -0.142) 3.161 11.622 ( -1.212 0.000 -5.497) 5.629 11.817 ( -3.539 0.000 2.003) 4.067 12.059 ( -0.805 0.000 2.082) 2.233 12.499 ( 4.077 0.000 5.544) 6.881 12.598 ( 1.091 0.000 4.433) 4.565 12.720 ( -0.308 0.000 -2.203) 2.224 12.736 ( -0.072 0.000 16.332) 16.332 12.800 ( -0.188 0.000 -0.322) 0.372 12.889 ( 1.507 0.000 0.328) 1.542 12.995 ( -0.974 0.000 0.327) 1.027 13.435 ( 1.067 0.000 -1.756) 2.054 13.698 ( 0.916 0.000 -0.187) 0.935 13.819 ( 4.163 0.000 -0.801) 4.239 14.045 ( 1.412 0.000 -2.562) 2.925 14.219 ( -0.683 0.000 5.928) 5.967 14.256 ( 1.380 0.000 -3.826) 4.068 14.887 ( -7.508 0.000 -4.564) 8.786 15.422 ( -1.111 0.000 -1.890) 2.192 15.479 ( 7.655 0.000 3.785) 8.540 15.676 ( 11.301 0.000 -6.969) 13.277 16.417 ( -7.630 0.000 -10.209) 12.745 ======================= Grid point 47 (18/111) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 17.608 0.000 7.210) 19.027 1.217 ( 13.019 0.000 20.172) 24.008 1.375 ( 6.377 0.000 17.445) 18.574 1.783 ( 1.526 0.000 0.155) 1.534 1.806 ( 12.405 0.000 6.989) 14.238 2.057 ( 17.103 0.000 8.610) 19.148 2.142 ( 4.132 0.000 5.329) 6.743 2.170 ( -2.825 0.000 1.879) 3.393 2.257 ( -4.389 0.000 0.431) 4.410 2.267 ( -1.410 0.000 3.210) 3.505 2.311 ( -2.966 0.000 5.746) 6.466 2.312 ( -3.512 0.000 5.932) 6.894 2.365 ( -5.545 0.000 0.996) 5.633 2.470 ( -0.959 0.000 2.536) 2.711 2.742 ( 0.591 0.000 -3.159) 3.214 2.752 ( -1.571 0.000 2.055) 2.587 2.780 ( -0.743 0.000 -0.933) 1.192 3.014 ( -6.249 0.000 0.252) 6.254 3.067 ( 0.545 0.000 -5.477) 5.504 3.135 ( 0.303 0.000 -3.656) 3.669 3.164 ( 1.247 0.000 6.911) 7.023 3.401 ( -5.684 0.000 3.489) 6.669 3.401 ( -2.837 0.000 14.159) 14.440 3.451 ( -4.423 0.000 23.972) 24.376 3.612 ( -6.955 0.000 -3.295) 7.696 3.635 ( 2.050 0.000 9.062) 9.291 3.979 ( 5.346 0.000 6.290) 8.255 4.066 ( -3.467 0.000 -3.235) 4.742 4.196 ( -4.016 0.000 1.442) 4.267 4.254 ( 1.580 0.000 -3.330) 3.686 4.475 ( -4.885 0.000 -3.724) 6.143 4.820 ( 3.662 0.000 2.495) 4.431 4.918 ( -4.781 0.000 1.113) 4.909 5.518 ( 4.851 0.000 -2.453) 5.436 5.526 ( -0.163 0.000 -4.850) 4.853 5.637 ( -7.336 0.000 4.218) 8.463 5.753 ( 2.192 0.000 -3.261) 3.929 5.856 ( 2.358 0.000 5.525) 6.007 5.892 ( 3.436 0.000 -2.950) 4.528 5.970 ( -1.785 0.000 3.709) 4.116 6.162 ( 4.628 0.000 -0.887) 4.712 6.213 ( -0.741 0.000 2.146) 2.270 6.510 ( -6.366 0.000 3.263) 7.154 6.676 ( -5.861 0.000 -4.749) 7.543 6.746 ( -3.107 0.000 -5.484) 6.303 6.836 ( 5.435 0.000 -2.721) 6.079 6.932 ( 6.355 0.000 -5.687) 8.528 6.963 ( -1.070 0.000 0.247) 1.098 7.152 ( -2.484 0.000 10.496) 10.786 7.414 ( -2.378 0.000 -0.458) 2.422 7.456 ( -0.152 0.000 0.498) 0.521 7.506 ( 4.310 0.000 -4.071) 5.929 7.688 ( -14.671 0.000 -6.411) 16.011 7.739 ( -4.496 0.000 -8.815) 9.896 7.828 ( -4.233 0.000 -4.855) 6.442 7.984 ( 3.608 0.000 -6.760) 7.663 8.125 ( -1.455 0.000 5.001) 5.208 8.155 ( -2.392 0.000 0.993) 2.590 8.278 ( 4.989 0.000 2.388) 5.531 8.376 ( -1.217 0.000 3.519) 3.724 8.496 ( -0.644 0.000 -5.557) 5.594 8.580 ( 5.998 0.000 0.191) 6.001 8.739 ( 9.853 0.000 -5.201) 11.141 8.783 ( -0.072 0.000 -1.300) 1.302 8.880 ( 8.693 0.000 -9.526) 12.896 8.930 ( 3.721 0.000 3.914) 5.400 8.993 ( 1.866 0.000 4.228) 4.621 9.185 ( -5.861 0.000 -0.212) 5.864 9.230 ( -2.898 0.000 2.734) 3.984 9.284 ( 1.733 0.000 3.326) 3.751 9.347 ( -1.029 0.000 2.280) 2.501 9.589 ( -4.085 0.000 9.708) 10.533 9.646 ( 14.478 0.000 8.845) 16.966 9.709 ( -2.327 0.000 3.893) 4.536 9.790 ( 4.257 0.000 1.641) 4.563 9.871 ( 1.490 0.000 4.536) 4.774 10.161 ( 2.197 0.000 2.578) 3.387 10.217 ( -1.400 0.000 3.402) 3.679 10.285 ( -11.610 0.000 13.352) 17.694 10.516 ( 5.063 0.000 -11.841) 12.878 10.857 ( -13.989 0.000 0.807) 14.012 11.019 ( 5.346 0.000 6.820) 8.666 11.146 ( -1.395 0.000 -2.022) 2.457 11.236 ( -3.060 0.000 -0.238) 3.070 11.344 ( -4.649 0.000 -4.378) 6.386 11.423 ( -6.722 0.000 4.473) 8.074 11.569 ( -0.031 0.000 -6.557) 6.557 11.587 ( 6.080 0.000 -1.785) 6.337 11.815 ( 0.870 0.000 4.568) 4.650 12.074 ( 1.652 0.000 -0.555) 1.743 12.546 ( -2.340 0.000 4.142) 4.757 12.616 ( -2.173 0.000 1.944) 2.916 12.763 ( 4.929 0.000 -2.342) 5.458 12.795 ( -2.616 0.000 13.784) 14.030 12.798 ( -0.001 0.000 0.247) 0.247 12.952 ( 5.653 0.000 0.369) 5.665 12.975 ( -1.720 0.000 1.328) 2.173 13.435 ( 0.214 0.000 -3.553) 3.559 13.711 ( -0.323 0.000 1.591) 1.623 13.891 ( 4.101 0.000 -2.833) 4.984 14.032 ( -0.720 0.000 -2.863) 2.952 14.232 ( -1.525 0.000 6.206) 6.391 14.270 ( 2.242 0.000 -3.883) 4.484 14.742 ( -5.383 0.000 -3.059) 6.192 15.388 ( -1.181 0.000 -1.896) 2.234 15.623 ( 5.458 0.000 2.188) 5.881 15.797 ( 5.838 0.000 -4.741) 7.520 16.190 ( -9.388 0.000 -8.759) 12.840 ======================= Grid point 48 (19/111) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 15.261 0.000 5.265) 16.144 1.560 ( 11.790 0.000 15.566) 19.527 1.604 ( 8.080 0.000 13.137) 15.423 1.871 ( 5.688 0.000 1.266) 5.827 2.071 ( -6.878 0.000 0.318) 6.885 2.100 ( -1.611 0.000 3.313) 3.684 2.125 ( -2.911 0.000 4.702) 5.530 2.153 ( -1.689 0.000 -0.134) 1.694 2.156 ( 7.675 0.000 2.991) 8.237 2.287 ( -2.364 0.000 3.440) 4.174 2.292 ( -3.362 0.000 4.419) 5.552 2.320 ( 0.062 0.000 5.939) 5.939 2.392 ( -2.878 0.000 3.073) 4.210 2.469 ( 1.567 0.000 1.893) 2.457 2.708 ( -3.380 0.000 1.610) 3.744 2.710 ( -3.331 0.000 -1.155) 3.526 2.773 ( 3.126 0.000 -2.090) 3.760 2.959 ( -0.924 0.000 3.359) 3.484 3.002 ( -4.563 0.000 -6.630) 8.049 3.099 ( -0.622 0.000 -5.549) 5.583 3.202 ( -2.700 0.000 8.368) 8.793 3.327 ( -3.411 0.000 2.828) 4.431 3.441 ( -0.074 0.000 14.405) 14.405 3.505 ( -3.392 0.000 -0.120) 3.394 3.525 ( -3.261 0.000 22.790) 23.022 3.720 ( 2.017 0.000 5.661) 6.009 3.948 ( -6.528 0.000 -1.162) 6.630 4.044 ( -2.275 0.000 1.364) 2.653 4.179 ( 2.606 0.000 1.356) 2.938 4.305 ( 5.164 0.000 -4.967) 7.166 4.419 ( -0.871 0.000 4.334) 4.421 4.815 ( -5.818 0.000 1.782) 6.084 4.916 ( 6.076 0.000 1.699) 6.309 5.455 ( -2.233 0.000 -7.901) 8.210 5.529 ( -5.816 0.000 4.725) 7.493 5.652 ( 9.504 0.000 -3.005) 9.968 5.789 ( 3.180 0.000 -6.047) 6.833 5.875 ( -3.340 0.000 -2.105) 3.947 5.951 ( 2.714 0.000 3.797) 4.667 5.975 ( -0.886 0.000 8.574) 8.619 6.168 ( -6.940 0.000 -0.637) 6.969 6.208 ( -0.513 0.000 -1.179) 1.286 6.475 ( 1.411 0.000 5.015) 5.210 6.554 ( -1.215 0.000 -1.059) 1.612 6.678 ( -1.648 0.000 -4.706) 4.986 6.868 ( -3.986 0.000 -0.509) 4.018 6.950 ( 2.787 0.000 -1.066) 2.984 7.035 ( 6.239 0.000 -1.296) 6.373 7.150 ( -3.756 0.000 7.649) 8.522 7.312 ( -5.549 0.000 -3.508) 6.565 7.360 ( -10.306 0.000 -3.980) 11.048 7.494 ( -1.077 0.000 -1.041) 1.498 7.541 ( 2.880 0.000 -0.581) 2.938 7.758 ( 7.603 0.000 -6.160) 9.785 7.761 ( 0.205 0.000 -0.962) 0.983 8.003 ( 3.427 0.000 -7.102) 7.885 8.085 ( -4.546 0.000 0.255) 4.553 8.162 ( 2.073 0.000 2.154) 2.990 8.346 ( -0.156 0.000 1.396) 1.405 8.400 ( 2.576 0.000 -0.383) 2.604 8.496 ( 3.024 0.000 -1.229) 3.264 8.694 ( 5.763 0.000 -1.238) 5.894 8.754 ( -1.795 0.000 -3.298) 3.755 8.771 ( -1.487 0.000 -5.017) 5.233 8.940 ( 2.617 0.000 -1.951) 3.265 9.020 ( -1.689 0.000 4.555) 4.859 9.061 ( -1.542 0.000 2.293) 2.763 9.099 ( 5.499 0.000 -4.908) 7.370 9.135 ( -5.820 0.000 0.605) 5.851 9.297 ( -5.433 0.000 3.347) 6.381 9.350 ( 1.564 0.000 4.340) 4.613 9.571 ( -3.502 0.000 8.523) 9.215 9.718 ( 2.110 0.000 0.902) 2.295 9.852 ( 0.023 0.000 3.551) 3.551 9.941 ( 3.556 0.000 1.995) 4.077 9.945 ( 11.311 0.000 4.078) 12.024 10.118 ( -4.064 0.000 -4.656) 6.180 10.153 ( -6.210 0.000 6.920) 9.298 10.214 ( -1.725 0.000 5.450) 5.716 10.570 ( -17.101 0.000 4.911) 17.792 10.661 ( 12.466 0.000 -6.872) 14.235 11.089 ( -0.920 0.000 -3.066) 3.201 11.176 ( 4.167 0.000 4.782) 6.343 11.197 ( -5.081 0.000 1.899) 5.424 11.259 ( -0.153 0.000 -3.798) 3.801 11.341 ( -2.371 0.000 1.310) 2.709 11.574 ( 3.657 0.000 -4.118) 5.508 11.660 ( 3.058 0.000 -2.666) 4.057 11.882 ( 2.527 0.000 6.034) 6.541 12.106 ( 2.298 0.000 -1.716) 2.868 12.483 ( -5.876 0.000 4.509) 7.406 12.586 ( -1.259 0.000 0.759) 1.470 12.775 ( -7.650 0.000 12.999) 15.083 12.800 ( 0.234 0.000 0.881) 0.912 12.810 ( 0.781 0.000 -0.411) 0.883 12.951 ( -0.927 0.000 -0.067) 0.929 13.108 ( 9.773 0.000 -1.176) 9.843 13.396 ( -1.578 0.000 -5.596) 5.814 13.703 ( -1.102 0.000 1.389) 1.773 13.940 ( 3.146 0.000 -4.230) 5.272 13.997 ( -1.075 0.000 -2.914) 3.106 14.227 ( -2.740 0.000 6.113) 6.699 14.293 ( 2.537 0.000 -4.471) 5.141 14.646 ( -3.281 0.000 -1.670) 3.681 15.362 ( -0.447 0.000 -1.548) 1.611 15.706 ( 2.609 0.000 -0.107) 2.611 15.862 ( 3.665 0.000 -3.927) 5.371 15.995 ( -6.071 0.000 -6.135) 8.631 ======================= Grid point 49 (20/111) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 10.728 0.000 2.735) 11.071 1.802 ( 3.070 0.000 5.975) 6.718 1.818 ( 5.562 0.000 10.020) 11.460 1.870 ( -8.572 0.000 2.235) 8.858 1.929 ( -2.701 0.000 4.477) 5.228 1.986 ( -8.157 0.000 6.415) 10.378 2.029 ( -3.327 0.000 0.608) 3.382 2.209 ( 0.516 0.000 4.023) 4.056 2.250 ( -1.673 0.000 -1.233) 2.078 2.266 ( -1.925 0.000 5.050) 5.405 2.289 ( 0.894 0.000 2.316) 2.482 2.346 ( -2.262 0.000 4.535) 5.068 2.429 ( -1.293 0.000 -0.125) 1.299 2.454 ( 3.567 0.000 2.310) 4.250 2.664 ( -1.337 0.000 -1.825) 2.262 2.727 ( 6.704 0.000 3.532) 7.578 2.810 ( -9.853 0.000 -5.645) 11.356 2.820 ( 1.269 0.000 0.283) 1.300 2.966 ( -0.443 0.000 1.508) 1.572 3.069 ( 1.265 0.000 -6.057) 6.188 3.164 ( -4.941 0.000 6.485) 8.153 3.305 ( -1.139 0.000 3.038) 3.244 3.477 ( -0.421 0.000 3.002) 3.031 3.503 ( -4.119 0.000 17.536) 18.014 3.563 ( -5.784 0.000 19.575) 20.412 3.795 ( 4.787 0.000 0.513) 4.814 3.839 ( -3.489 0.000 -1.761) 3.908 4.027 ( -1.857 0.000 4.199) 4.591 4.176 ( -1.780 0.000 1.291) 2.198 4.362 ( 3.860 0.000 -6.303) 7.391 4.457 ( -0.529 0.000 2.895) 2.943 4.743 ( -2.973 0.000 2.858) 4.124 5.045 ( 4.048 0.000 -0.750) 4.117 5.378 ( -2.431 0.000 -3.507) 4.267 5.488 ( 0.394 0.000 1.170) 1.235 5.761 ( -3.198 0.000 -2.385) 3.990 5.788 ( 0.818 0.000 -8.552) 8.591 5.806 ( 6.955 0.000 -2.480) 7.383 5.911 ( -5.144 0.000 -2.318) 5.642 6.040 ( -4.702 0.000 2.172) 5.179 6.048 ( -0.011 0.000 7.885) 7.886 6.174 ( -0.742 0.000 0.859) 1.135 6.552 ( -0.878 0.000 -3.438) 3.548 6.595 ( 6.302 0.000 5.745) 8.528 6.665 ( 2.769 0.000 1.107) 2.983 6.738 ( -8.219 0.000 2.814) 8.687 7.014 ( 3.377 0.000 -1.516) 3.701 7.056 ( -5.088 0.000 1.821) 5.404 7.153 ( 3.111 0.000 1.455) 3.434 7.231 ( -3.330 0.000 3.750) 5.015 7.249 ( 0.706 0.000 0.351) 0.789 7.488 ( 0.564 0.000 1.179) 1.307 7.606 ( 3.814 0.000 1.851) 4.239 7.830 ( 5.357 0.000 -2.137) 5.768 7.873 ( 6.945 0.000 -4.466) 8.257 8.004 ( -3.041 0.000 0.360) 3.062 8.033 ( 1.771 0.000 -1.521) 2.334 8.223 ( 5.511 0.000 -4.670) 7.223 8.321 ( -2.727 0.000 0.409) 2.758 8.454 ( 4.944 0.000 -3.877) 6.283 8.577 ( 5.081 0.000 1.378) 5.264 8.676 ( -6.604 0.000 4.063) 7.754 8.679 ( -3.416 0.000 -4.581) 5.714 8.782 ( 4.966 0.000 -4.684) 6.827 8.944 ( -0.979 0.000 -1.454) 1.753 8.962 ( -6.975 0.000 8.108) 10.695 9.025 ( 0.158 0.000 -8.682) 8.683 9.079 ( -0.336 0.000 -0.932) 0.991 9.096 ( -4.183 0.000 -5.016) 6.531 9.315 ( 5.122 0.000 5.108) 7.234 9.390 ( 0.351 0.000 4.276) 4.290 9.548 ( -4.580 0.000 9.916) 10.923 9.775 ( 2.565 0.000 0.198) 2.572 9.861 ( 0.904 0.000 -0.505) 1.036 9.968 ( -2.381 0.000 4.534) 5.122 10.017 ( -5.198 0.000 0.817) 5.262 10.109 ( 3.532 0.000 0.755) 3.612 10.174 ( 4.228 0.000 1.252) 4.410 10.179 ( -2.451 0.000 1.715) 2.992 10.279 ( -15.804 0.000 7.185) 17.360 10.848 ( 10.067 0.000 -4.776) 11.143 11.038 ( -5.285 0.000 -2.593) 5.887 11.127 ( 1.504 0.000 -3.085) 3.432 11.128 ( -3.268 0.000 -9.518) 10.064 11.299 ( -2.802 0.000 -3.792) 4.715 11.345 ( 3.138 0.000 5.812) 6.605 11.630 ( 2.661 0.000 -1.078) 2.871 11.696 ( 2.526 0.000 -1.406) 2.891 11.959 ( 1.236 0.000 6.025) 6.150 12.150 ( 3.551 0.000 -1.226) 3.757 12.397 ( -5.984 0.000 5.418) 8.073 12.575 ( -0.320 0.000 0.143) 0.350 12.676 ( -8.509 0.000 11.353) 14.188 12.812 ( -0.320 0.000 0.703) 0.772 12.819 ( 0.783 0.000 2.526) 2.645 12.942 ( 0.121 0.000 -0.404) 0.422 13.262 ( 4.959 0.000 -4.290) 6.558 13.321 ( -0.623 0.000 -5.333) 5.369 13.695 ( -0.359 0.000 1.073) 1.132 13.964 ( 1.940 0.000 -4.699) 5.084 13.964 ( -0.115 0.000 -3.423) 3.425 14.198 ( -3.644 0.000 5.333) 6.459 14.311 ( 1.946 0.000 -4.948) 5.317 14.601 ( -0.646 0.000 -0.504) 0.819 15.354 ( 0.325 0.000 -1.105) 1.152 15.721 ( -0.164 0.000 -2.777) 2.781 15.893 ( 1.845 0.000 -3.717) 4.149 15.904 ( -0.339 0.000 -3.606) 3.622 ======================= Grid point 50 (21/111) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -14.121 0.000 -1.863) 14.243 1.695 ( -11.858 0.000 4.543) 12.698 1.702 ( -15.515 0.000 5.813) 16.568 1.957 ( -2.135 0.000 2.269) 3.116 1.989 ( 9.109 0.000 5.779) 10.788 2.020 ( 4.524 0.000 6.008) 7.520 2.058 ( 1.812 0.000 4.517) 4.867 2.140 ( -2.068 0.000 -0.006) 2.068 2.257 ( -3.149 0.000 5.174) 6.058 2.279 ( 0.655 0.000 1.951) 2.058 2.296 ( -1.382 0.000 2.386) 2.758 2.311 ( -0.569 0.000 1.768) 1.857 2.337 ( -12.512 0.000 -0.311) 12.516 2.523 ( 2.770 0.000 3.667) 4.595 2.631 ( 1.214 0.000 -3.278) 3.496 2.654 ( -0.910 0.000 -0.164) 0.925 2.827 ( -0.229 0.000 0.895) 0.924 2.945 ( 8.655 0.000 -1.261) 8.746 2.954 ( -0.746 0.000 -0.690) 1.016 3.099 ( 5.488 0.000 -4.199) 6.910 3.111 ( -3.177 0.000 4.667) 5.646 3.301 ( -1.595 0.000 3.782) 4.105 3.493 ( -7.198 0.000 16.774) 18.253 3.522 ( 2.850 0.000 4.851) 5.626 3.528 ( -9.066 0.000 21.333) 23.180 3.814 ( 2.647 0.000 -2.687) 3.772 3.885 ( -7.309 0.000 -3.700) 8.192 3.893 ( -2.283 0.000 2.081) 3.090 4.254 ( 6.738 0.000 2.437) 7.165 4.367 ( -8.431 0.000 2.894) 8.914 4.382 ( 1.641 0.000 -5.195) 5.448 4.728 ( -0.043 0.000 2.184) 2.184 5.025 ( -2.695 0.000 -0.530) 2.747 5.325 ( -0.757 0.000 -4.019) 4.090 5.555 ( 4.499 0.000 1.655) 4.794 5.723 ( -1.523 0.000 -10.788) 10.895 5.775 ( -5.411 0.000 -3.889) 6.663 5.806 ( 6.497 0.000 -0.411) 6.510 5.890 ( -1.322 0.000 0.263) 1.348 5.979 ( 0.510 0.000 -1.801) 1.872 6.061 ( -1.810 0.000 6.695) 6.935 6.199 ( 2.022 0.000 -0.039) 2.022 6.532 ( 1.523 0.000 -0.214) 1.538 6.594 ( -7.347 0.000 6.598) 9.875 6.759 ( 5.139 0.000 2.809) 5.857 6.767 ( 6.660 0.000 1.970) 6.946 6.982 ( -4.803 0.000 1.537) 5.044 7.039 ( -0.584 0.000 0.872) 1.050 7.183 ( 1.498 0.000 0.882) 1.739 7.264 ( 3.690 0.000 3.371) 4.998 7.316 ( 3.683 0.000 2.294) 4.339 7.544 ( 4.077 0.000 4.001) 5.712 7.686 ( -0.459 0.000 2.324) 2.369 7.842 ( 0.108 0.000 1.407) 1.411 7.957 ( 4.106 0.000 -2.781) 4.960 8.031 ( 3.552 0.000 2.118) 4.136 8.043 ( -0.641 0.000 1.232) 1.389 8.250 ( -3.578 0.000 -3.414) 4.945 8.326 ( 8.153 0.000 -6.390) 10.359 8.554 ( 5.802 0.000 1.642) 6.030 8.569 ( -8.617 0.000 4.737) 9.833 8.589 ( -3.260 0.000 -3.367) 4.686 8.718 ( 9.575 0.000 -0.669) 9.598 8.823 ( -1.015 0.000 0.110) 1.021 8.878 ( 0.164 0.000 -10.831) 10.832 8.899 ( -3.613 0.000 6.939) 7.823 8.937 ( -0.918 0.000 -4.924) 5.009 9.071 ( -0.532 0.000 -0.012) 0.532 9.078 ( 2.211 0.000 -2.651) 3.452 9.405 ( -2.243 0.000 4.293) 4.843 9.411 ( 1.571 0.000 1.241) 2.002 9.521 ( -2.300 0.000 7.927) 8.254 9.773 ( -3.476 0.000 -2.196) 4.111 9.869 ( -0.770 0.000 -2.064) 2.203 9.901 ( -7.985 0.000 1.455) 8.116 9.959 ( -3.065 0.000 5.575) 6.362 9.996 ( -9.869 0.000 -0.068) 9.869 10.076 ( -1.597 0.000 -2.314) 2.812 10.227 ( 2.607 0.000 3.301) 4.206 10.346 ( 8.566 0.000 5.696) 10.287 10.914 ( -3.847 0.000 1.658) 4.189 10.990 ( -4.773 0.000 -10.030) 11.108 11.009 ( 6.824 0.000 -3.392) 7.621 11.135 ( -0.739 0.000 -5.921) 5.967 11.203 ( -0.241 0.000 -9.845) 9.848 11.398 ( 0.258 0.000 2.477) 2.491 11.653 ( 0.008 0.000 1.856) 1.856 11.740 ( 1.848 0.000 0.551) 1.929 11.966 ( -3.544 0.000 3.723) 5.140 12.211 ( 0.844 0.000 1.620) 1.827 12.335 ( -1.875 0.000 5.224) 5.550 12.574 ( 0.089 0.000 0.669) 0.675 12.621 ( -3.233 0.000 8.157) 8.774 12.808 ( -0.347 0.000 0.381) 0.515 12.858 ( 1.097 0.000 3.899) 4.050 12.949 ( 0.752 0.000 -0.146) 0.766 13.162 ( -6.098 0.000 -7.948) 10.018 13.386 ( 4.091 0.000 -2.928) 5.031 13.699 ( -0.094 0.000 1.432) 1.435 13.954 ( 1.558 0.000 -4.263) 4.538 13.964 ( 0.579 0.000 -5.192) 5.224 14.158 ( -2.863 0.000 3.632) 4.625 14.305 ( 0.361 0.000 -4.910) 4.923 14.625 ( 3.095 0.000 0.951) 3.238 15.361 ( 0.939 0.000 -0.651) 1.143 15.673 ( -2.429 0.000 -4.939) 5.504 15.887 ( -0.223 0.000 -4.334) 4.340 15.943 ( 5.941 0.000 -1.828) 6.216 ======================= Grid point 51 (22/111) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -17.425 0.000 -1.100) 17.459 1.398 ( -19.997 0.000 8.529) 21.740 1.472 ( -14.062 0.000 8.510) 16.436 1.872 ( -4.601 0.000 1.137) 4.740 1.946 ( -15.694 0.000 -1.586) 15.774 2.071 ( -0.443 0.000 1.562) 1.624 2.156 ( 1.112 0.000 6.442) 6.537 2.190 ( 0.864 0.000 3.297) 3.408 2.214 ( 9.184 0.000 2.678) 9.566 2.215 ( -6.408 0.000 0.594) 6.435 2.268 ( -1.414 0.000 7.589) 7.719 2.326 ( 0.048 0.000 1.361) 1.362 2.339 ( -4.042 0.000 1.129) 4.196 2.432 ( -4.617 0.000 1.297) 4.795 2.689 ( 2.377 0.000 0.687) 2.475 2.708 ( 3.833 0.000 -1.979) 4.314 2.843 ( 1.140 0.000 2.038) 2.335 2.951 ( 1.693 0.000 -1.661) 2.372 3.029 ( 3.705 0.000 -4.708) 5.991 3.114 ( -0.093 0.000 6.813) 6.813 3.184 ( 4.200 0.000 -4.987) 6.520 3.290 ( -1.259 0.000 4.376) 4.553 3.433 ( -8.454 0.000 17.073) 19.051 3.456 ( -10.648 0.000 16.875) 19.954 3.595 ( -11.755 0.000 0.491) 11.766 3.631 ( 4.991 0.000 5.379) 7.338 3.914 ( 8.927 0.000 -2.986) 9.413 3.921 ( -0.090 0.000 -2.857) 2.859 4.177 ( -6.755 0.000 0.184) 6.757 4.369 ( -1.021 0.000 -0.366) 1.085 4.484 ( 9.042 0.000 7.499) 11.747 4.770 ( 3.811 0.000 -1.230) 4.004 4.984 ( -3.004 0.000 3.342) 4.494 5.306 ( 1.748 0.000 -6.402) 6.636 5.558 ( -2.620 0.000 -6.497) 7.006 5.638 ( -2.536 0.000 -3.447) 4.280 5.743 ( -8.144 0.000 1.765) 8.333 5.782 ( 7.401 0.000 -0.463) 7.416 5.934 ( 2.786 0.000 -3.340) 4.349 6.037 ( 6.008 0.000 -2.634) 6.560 6.070 ( -0.952 0.000 5.487) 5.569 6.229 ( 0.636 0.000 -0.007) 0.636 6.519 ( -3.893 0.000 6.939) 7.957 6.618 ( 6.240 0.000 0.848) 6.297 6.867 ( 3.190 0.000 -1.764) 3.645 6.868 ( 4.002 0.000 3.043) 5.028 6.895 ( -4.740 0.000 3.148) 5.690 7.020 ( -2.204 0.000 3.877) 4.459 7.179 ( -2.202 0.000 -1.898) 2.908 7.374 ( 1.703 0.000 0.653) 1.823 7.428 ( 11.846 0.000 -1.527) 11.944 7.569 ( -9.391 0.000 2.756) 9.787 7.637 ( 1.139 0.000 3.383) 3.570 7.948 ( 6.148 0.000 6.102) 8.663 7.981 ( -4.227 0.000 -1.951) 4.656 8.065 ( 6.043 0.000 2.917) 6.710 8.077 ( -2.415 0.000 -0.700) 2.514 8.188 ( 1.910 0.000 -1.383) 2.358 8.366 ( -13.333 0.000 4.083) 13.944 8.434 ( 5.744 0.000 -7.208) 9.217 8.519 ( -2.359 0.000 -2.473) 3.418 8.670 ( 3.048 0.000 6.128) 6.845 8.770 ( -0.414 0.000 -6.026) 6.040 8.841 ( -1.709 0.000 9.253) 9.410 8.889 ( -2.085 0.000 -3.244) 3.856 8.940 ( 5.817 0.000 1.548) 6.019 8.966 ( 10.759 0.000 -4.863) 11.807 9.061 ( -0.847 0.000 2.605) 2.740 9.115 ( 3.676 0.000 -4.126) 5.526 9.354 ( -3.670 0.000 1.579) 3.995 9.366 ( -6.164 0.000 -1.905) 6.451 9.540 ( -1.721 0.000 5.585) 5.844 9.616 ( -10.159 0.000 -2.526) 10.468 9.743 ( -9.328 0.000 -1.198) 9.405 9.758 ( -4.990 0.000 -4.931) 7.016 9.847 ( -0.409 0.000 -1.070) 1.146 10.029 ( -4.541 0.000 1.300) 4.723 10.032 ( 0.746 0.000 7.238) 7.276 10.270 ( -0.383 0.000 2.646) 2.674 10.566 ( 11.497 0.000 1.878) 11.649 10.876 ( -0.976 0.000 -5.471) 5.558 10.900 ( -0.047 0.000 6.819) 6.820 11.035 ( 0.704 0.000 -4.325) 4.382 11.117 ( 1.815 0.000 -4.398) 4.758 11.225 ( 8.221 0.000 -10.606) 13.420 11.395 ( -1.086 0.000 -0.446) 1.174 11.675 ( 1.176 0.000 3.996) 4.165 11.758 ( -0.820 0.000 2.072) 2.228 11.897 ( -4.551 0.000 3.351) 5.651 12.180 ( -4.039 0.000 3.157) 5.127 12.388 ( 2.482 0.000 4.441) 5.087 12.587 ( 0.253 0.000 1.419) 1.442 12.607 ( -2.857 0.000 4.094) 4.992 12.804 ( -0.206 0.000 -0.008) 0.206 12.889 ( -0.580 0.000 3.254) 3.305 12.966 ( 0.965 0.000 0.058) 0.967 12.986 ( -7.059 0.000 -6.518) 9.608 13.416 ( 1.273 0.000 -3.626) 3.843 13.704 ( -0.361 0.000 1.733) 1.770 13.922 ( -1.803 0.000 -5.296) 5.594 13.972 ( 2.842 0.000 -5.068) 5.810 14.136 ( -1.045 0.000 1.828) 2.106 14.280 ( 0.041 0.000 -4.152) 4.152 14.725 ( 6.178 0.000 2.630) 6.714 15.383 ( 1.639 0.000 -0.288) 1.664 15.575 ( -4.386 0.000 -6.418) 7.773 15.833 ( -2.384 0.000 -5.896) 6.360 16.101 ( 11.150 0.000 -1.376) 11.234 ======================= Grid point 52 (23/111) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -20.800 0.000 0.836) 20.816 1.049 ( -22.483 0.000 11.885) 25.431 1.276 ( -13.391 0.000 14.969) 20.084 1.668 ( -11.160 0.000 0.752) 11.186 1.732 ( -35.929 0.000 1.744) 35.971 1.862 ( 2.380 0.000 2.664) 3.572 2.101 ( -0.298 0.000 2.463) 2.481 2.201 ( -1.159 0.000 3.753) 3.928 2.209 ( 0.677 0.000 4.739) 4.787 2.260 ( -1.625 0.000 5.495) 5.730 2.325 ( 1.964 0.000 2.728) 3.361 2.333 ( -0.262 0.000 2.769) 2.781 2.417 ( -2.385 0.000 -0.069) 2.386 2.419 ( 8.167 0.000 2.505) 8.543 2.703 ( -1.082 0.000 -0.837) 1.368 2.740 ( 2.501 0.000 -4.084) 4.789 2.877 ( 0.638 0.000 2.460) 2.542 2.990 ( 2.005 0.000 -0.525) 2.073 3.066 ( 3.251 0.000 -5.143) 6.084 3.143 ( -3.054 0.000 10.406) 10.845 3.189 ( -0.379 0.000 -3.528) 3.549 3.324 ( 2.008 0.000 3.779) 4.279 3.350 ( -1.445 0.000 -1.616) 2.168 3.414 ( -5.457 0.000 18.155) 18.957 3.492 ( -6.670 0.000 17.750) 18.962 3.769 ( 7.092 0.000 3.764) 8.029 3.849 ( -5.447 0.000 -2.146) 5.855 4.072 ( 8.081 0.000 -3.762) 8.914 4.123 ( 1.538 0.000 -0.968) 1.817 4.356 ( -0.865 0.000 3.046) 3.167 4.659 ( 4.018 0.000 5.190) 6.564 4.834 ( 4.031 0.000 -4.311) 5.902 4.943 ( -2.665 0.000 4.273) 5.036 5.315 ( 3.299 0.000 -7.169) 7.892 5.489 ( 0.185 0.000 -6.617) 6.619 5.609 ( 0.852 0.000 -1.023) 1.331 5.644 ( -3.365 0.000 2.983) 4.497 5.877 ( -4.620 0.000 -4.231) 6.264 5.938 ( 7.676 0.000 1.040) 7.746 6.081 ( -1.138 0.000 4.574) 4.713 6.171 ( 7.664 0.000 -1.099) 7.742 6.198 ( -4.667 0.000 2.386) 5.242 6.546 ( 3.188 0.000 4.063) 5.164 6.699 ( 1.898 0.000 -5.502) 5.821 6.857 ( -2.105 0.000 5.212) 5.621 6.876 ( -0.376 0.000 -0.972) 1.042 6.946 ( 1.776 0.000 3.799) 4.194 7.008 ( -2.096 0.000 5.233) 5.637 7.088 ( -4.365 0.000 -4.256) 6.096 7.394 ( 0.212 0.000 -1.436) 1.452 7.435 ( -5.805 0.000 7.991) 9.877 7.613 ( -3.702 0.000 1.834) 4.131 7.659 ( 13.182 0.000 -5.947) 14.461 7.815 ( -10.473 0.000 -3.644) 11.089 7.949 ( -6.463 0.000 -6.429) 9.116 8.114 ( 7.596 0.000 5.375) 9.306 8.135 ( -10.110 0.000 0.586) 10.127 8.226 ( 5.793 0.000 1.571) 6.002 8.284 ( 4.647 0.000 1.334) 4.835 8.454 ( -0.673 0.000 -5.236) 5.279 8.470 ( -0.284 0.000 -3.456) 3.468 8.711 ( -2.213 0.000 5.375) 5.812 8.725 ( -1.869 0.000 -4.618) 4.982 8.834 ( -3.729 0.000 8.908) 9.657 8.842 ( -1.397 0.000 0.943) 1.686 8.993 ( -3.960 0.000 -4.258) 5.815 9.046 ( -0.356 0.000 -1.402) 1.447 9.153 ( 5.146 0.000 6.959) 8.655 9.184 ( -4.730 0.000 -8.735) 9.934 9.197 ( 4.904 0.000 2.550) 5.527 9.317 ( 1.366 0.000 -3.893) 4.125 9.439 ( -5.771 0.000 0.212) 5.775 9.479 ( -6.802 0.000 8.611) 10.973 9.633 ( -1.626 0.000 -1.776) 2.408 9.684 ( -0.599 0.000 -1.317) 1.447 9.893 ( 4.410 0.000 3.282) 5.498 9.926 ( -7.949 0.000 6.761) 10.435 10.045 ( -4.812 0.000 10.043) 11.136 10.230 ( -3.618 0.000 -0.602) 3.668 10.771 ( 11.466 0.000 -5.853) 12.874 10.946 ( 8.041 0.000 4.193) 9.069 10.977 ( 2.605 0.000 4.245) 4.980 11.068 ( 2.957 0.000 -1.944) 3.539 11.129 ( 4.839 0.000 -4.429) 6.560 11.350 ( -2.648 0.000 -3.450) 4.349 11.361 ( 10.361 0.000 -8.111) 13.158 11.741 ( -2.679 0.000 4.464) 5.206 11.750 ( 3.295 0.000 3.715) 4.966 11.864 ( -0.399 0.000 5.601) 5.615 12.111 ( -5.029 0.000 3.065) 5.890 12.440 ( -0.464 0.000 5.890) 5.908 12.541 ( -5.401 0.000 1.528) 5.613 12.570 ( -3.072 0.000 0.211) 3.079 12.802 ( 0.330 0.000 -0.334) 0.469 12.830 ( -3.648 0.000 -0.028) 3.648 12.900 ( -1.666 0.000 0.079) 1.668 12.985 ( 1.040 0.000 0.017) 1.040 13.408 ( 0.423 0.000 -3.710) 3.734 13.706 ( -0.283 0.000 1.366) 1.395 13.842 ( -3.206 0.000 -5.270) 6.168 13.998 ( 2.796 0.000 -4.984) 5.714 14.138 ( 0.082 0.000 1.883) 1.885 14.267 ( 0.780 0.000 -3.165) 3.260 14.882 ( 8.133 0.000 3.942) 9.039 15.416 ( 1.836 0.000 -0.324) 1.864 15.435 ( -6.185 0.000 -7.217) 9.505 15.725 ( -4.836 0.000 -9.133) 10.335 16.327 ( 12.810 0.000 -2.860) 13.125 ======================= Grid point 53 (24/111) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -21.390 0.000 7.330) 22.611 0.658 ( -26.021 0.000 10.026) 27.885 1.072 ( -33.869 0.000 26.184) 42.810 1.133 ( -11.863 0.000 21.315) 24.394 1.549 ( -2.917 0.000 2.485) 3.831 1.943 ( 2.833 0.000 0.046) 2.834 2.131 ( 1.667 0.000 2.357) 2.887 2.213 ( -0.433 0.000 5.980) 5.996 2.235 ( -0.603 0.000 3.644) 3.694 2.258 ( -0.929 0.000 3.418) 3.542 2.339 ( -1.493 0.000 5.241) 5.450 2.349 ( -2.209 0.000 -1.188) 2.508 2.380 ( 2.012 0.000 1.640) 2.596 2.560 ( 5.534 0.000 1.555) 5.748 2.661 ( -1.927 0.000 -1.961) 2.749 2.761 ( 0.632 0.000 -1.402) 1.538 2.873 ( -2.351 0.000 0.893) 2.515 3.007 ( -0.231 0.000 1.380) 1.399 3.089 ( 2.035 0.000 -4.855) 5.265 3.130 ( -3.091 0.000 8.537) 9.080 3.148 ( -1.941 0.000 -2.216) 2.946 3.321 ( -3.877 0.000 8.593) 9.427 3.390 ( 1.933 0.000 5.297) 5.639 3.440 ( -0.216 0.000 9.030) 9.033 3.503 ( -3.180 0.000 14.517) 14.861 3.752 ( -3.047 0.000 2.231) 3.776 3.942 ( 8.459 0.000 1.324) 8.562 4.142 ( 2.215 0.000 -4.970) 5.442 4.178 ( 3.176 0.000 -0.878) 3.295 4.351 ( -2.171 0.000 1.330) 2.546 4.677 ( -3.512 0.000 5.488) 6.515 4.877 ( 3.809 0.000 -5.708) 6.862 4.932 ( -1.915 0.000 -2.171) 2.895 5.353 ( 4.229 0.000 -4.903) 6.475 5.508 ( 4.686 0.000 -1.893) 5.054 5.630 ( -0.420 0.000 1.416) 1.477 5.641 ( 2.100 0.000 -0.187) 2.108 5.753 ( -5.717 0.000 -1.047) 5.812 6.060 ( -3.879 0.000 5.917) 7.075 6.071 ( 4.559 0.000 -2.344) 5.127 6.108 ( -3.969 0.000 2.148) 4.513 6.289 ( 5.162 0.000 -4.176) 6.640 6.634 ( 3.711 0.000 -0.932) 3.826 6.666 ( -0.084 0.000 -2.504) 2.505 6.819 ( -4.075 0.000 0.646) 4.126 6.893 ( 1.705 0.000 4.480) 4.794 6.907 ( -3.816 0.000 -0.153) 3.819 6.977 ( -5.583 0.000 6.603) 8.647 7.059 ( -1.489 0.000 7.331) 7.480 7.345 ( -3.357 0.000 -3.127) 4.588 7.476 ( 5.868 0.000 5.149) 7.807 7.536 ( -8.369 0.000 0.074) 8.370 7.642 ( 0.146 0.000 0.368) 0.396 7.741 ( -5.617 0.000 -1.858) 5.916 7.919 ( 12.262 0.000 -8.968) 15.191 7.984 ( -3.932 0.000 -3.086) 4.998 8.253 ( 0.410 0.000 -9.152) 9.161 8.270 ( -1.942 0.000 -3.044) 3.611 8.300 ( 4.508 0.000 2.452) 5.131 8.390 ( -1.904 0.000 -3.171) 3.698 8.532 ( 5.490 0.000 0.512) 5.514 8.581 ( -11.061 0.000 1.771) 11.202 8.681 ( -2.747 0.000 3.860) 4.738 8.816 ( -2.817 0.000 7.149) 7.684 8.825 ( 0.424 0.000 -4.379) 4.399 8.885 ( 1.540 0.000 -10.642) 10.753 8.931 ( -9.638 0.000 0.303) 9.643 9.123 ( 0.962 0.000 -4.660) 4.759 9.266 ( -2.183 0.000 1.628) 2.723 9.291 ( 7.751 0.000 1.551) 7.905 9.334 ( -0.883 0.000 0.169) 0.899 9.434 ( 4.297 0.000 4.922) 6.534 9.530 ( 5.160 0.000 12.382) 13.414 9.625 ( 1.796 0.000 2.121) 2.779 9.730 ( 3.393 0.000 7.311) 8.060 9.801 ( -10.123 0.000 10.195) 14.368 9.982 ( -5.947 0.000 13.934) 15.150 10.037 ( 5.298 0.000 8.687) 10.175 10.179 ( -0.156 0.000 -2.285) 2.291 10.932 ( -3.039 0.000 -8.946) 9.448 10.977 ( 12.461 0.000 -3.206) 12.867 11.126 ( 6.356 0.000 1.756) 6.594 11.173 ( 2.163 0.000 0.156) 2.169 11.235 ( 8.429 0.000 3.133) 8.992 11.255 ( -3.465 0.000 -6.451) 7.323 11.497 ( 8.370 0.000 -9.506) 12.665 11.703 ( -4.868 0.000 6.337) 7.991 11.766 ( -1.242 0.000 -3.533) 3.745 11.982 ( 4.086 0.000 10.732) 11.483 12.025 ( -4.920 0.000 3.719) 6.167 12.391 ( -5.744 0.000 1.507) 5.939 12.508 ( -0.390 0.000 10.673) 10.680 12.544 ( 2.688 0.000 5.282) 5.927 12.795 ( -1.341 0.000 0.060) 1.342 12.824 ( 1.429 0.000 0.315) 1.463 12.872 ( -0.496 0.000 0.924) 1.048 13.005 ( 0.961 0.000 -0.386) 1.036 13.402 ( 1.105 0.000 -2.622) 2.846 13.705 ( -0.477 0.000 0.134) 0.496 13.762 ( -1.542 0.000 -3.879) 4.175 14.011 ( 0.643 0.000 -4.431) 4.477 14.159 ( 0.527 0.000 3.494) 3.533 14.269 ( 1.039 0.000 -2.910) 3.090 15.068 ( 8.208 0.000 3.816) 9.052 15.268 ( -6.354 0.000 -5.782) 8.591 15.442 ( 1.101 0.000 -0.809) 1.366 15.513 ( -11.809 0.000 -13.429) 17.883 16.516 ( 8.555 0.000 -6.059) 10.483 ======================= Grid point 54 (25/111) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -4.099 19.155 14.052) 24.107 0.687 ( 0.879 15.136 19.361) 24.591 1.038 ( -6.771 -1.534 24.546) 25.509 1.116 ( 3.865 19.772 28.636) 35.013 1.407 ( -0.724 -15.064 5.663) 16.110 1.900 ( -1.643 -5.328 -3.312) 6.485 2.125 ( -0.247 -0.243 0.945) 1.007 2.197 ( -1.083 -2.762 0.400) 2.994 2.257 ( -0.826 -0.064 5.363) 5.426 2.284 ( -0.043 0.220 6.695) 6.699 2.351 ( -2.004 0.725 5.405) 5.810 2.368 ( -0.904 0.538 3.143) 3.315 2.507 ( 2.144 5.973 1.418) 6.502 2.580 ( -0.931 -4.280 0.033) 4.381 2.670 ( -1.058 2.570 -0.715) 2.870 2.748 ( 1.555 0.142 -0.571) 1.663 2.766 ( -1.121 -1.355 -0.754) 1.913 2.999 ( 0.244 -2.810 -0.121) 2.824 3.041 ( 1.129 -1.618 -0.534) 2.044 3.079 ( 0.885 -1.422 -2.177) 2.746 3.212 ( -0.426 2.818 2.015) 3.490 3.320 ( -2.947 -0.341 12.509) 12.856 3.379 ( -0.726 -4.511 8.984) 10.079 3.437 ( -5.442 -3.199 18.751) 19.786 3.515 ( 0.798 1.541 4.949) 5.245 3.680 ( 0.357 -6.638 5.567) 8.671 4.066 ( -2.159 4.002 -6.619) 8.031 4.174 ( 1.289 -0.957 -2.755) 3.189 4.300 ( -1.403 7.161 -3.658) 8.163 4.361 ( -5.705 6.081 -10.475) 13.388 4.622 ( 0.947 -1.562 4.830) 5.164 4.736 ( -2.489 -6.076 -2.080) 6.888 5.009 ( 3.271 7.609 -3.575) 9.021 5.367 ( 4.893 -11.241 -2.090) 12.437 5.492 ( 0.711 3.835 2.453) 4.608 5.682 ( 0.633 0.771 -0.319) 1.048 5.699 ( -2.119 1.154 0.881) 2.569 5.717 ( 2.045 -2.435 2.331) 3.943 6.009 ( -4.915 4.543 0.598) 6.720 6.086 ( -0.638 4.238 0.376) 4.302 6.144 ( 0.152 0.599 -4.208) 4.253 6.294 ( 0.004 -0.357 -3.939) 3.955 6.686 ( 1.582 0.493 -3.419) 3.800 6.742 ( 0.311 -1.387 0.466) 1.496 6.771 ( 0.947 -0.522 -3.572) 3.732 6.825 ( 0.703 -1.969 -1.769) 2.739 6.914 ( -4.662 4.539 4.168) 7.727 6.973 ( 0.745 2.121 5.272) 5.731 7.093 ( -0.986 2.139 8.607) 8.923 7.328 ( 3.440 3.041 -1.271) 4.764 7.421 ( -0.477 -3.801 0.377) 3.849 7.502 ( -0.039 -3.578 -0.434) 3.604 7.695 ( 13.254 -5.945 13.736) 19.992 7.765 ( 9.023 -3.024 8.944) 13.060 8.037 ( -2.166 3.051 -10.113) 10.783 8.062 ( -1.425 3.426 -7.951) 8.774 8.202 ( -1.952 6.454 -2.307) 7.126 8.228 ( 4.111 1.976 -6.366) 7.832 8.324 ( -4.161 -0.023 -3.171) 5.232 8.388 ( -1.346 0.352 -3.697) 3.950 8.433 ( -4.274 -2.491 -0.886) 5.025 8.586 ( -2.407 0.013 -1.002) 2.607 8.641 ( -5.911 -0.522 0.133) 5.935 8.734 ( -2.338 -3.523 -1.346) 4.437 8.747 ( -0.389 -1.096 5.395) 5.519 8.908 ( 0.258 3.586 -4.589) 5.830 8.947 ( 2.571 6.726 -1.682) 7.395 9.073 ( -3.887 -6.406 2.558) 7.918 9.167 ( -0.152 -3.376 7.743) 8.448 9.271 ( -2.975 -2.865 1.297) 4.328 9.443 ( -4.274 4.566 6.316) 8.889 9.501 ( -0.244 -1.333 4.700) 4.892 9.568 ( 0.444 -3.617 2.869) 4.638 9.571 ( 1.172 0.658 1.784) 2.234 9.701 ( 2.735 -4.262 6.415) 8.173 9.849 ( -5.498 2.683 13.630) 14.940 10.019 ( -1.233 8.677 12.678) 15.412 10.119 ( 2.224 -8.487 -0.734) 8.804 10.182 ( 0.580 -3.671 11.932) 12.497 10.620 ( 4.034 -29.154 25.059) 38.654 10.797 ( -5.948 -21.050 0.527) 21.881 10.977 ( 3.316 -13.448 0.431) 13.858 11.184 ( -0.985 1.303 -3.971) 4.294 11.274 ( -1.751 -6.354 -0.525) 6.612 11.303 ( 4.945 2.947 -2.377) 6.228 11.428 ( 5.834 -4.058 -6.397) 9.562 11.527 ( 1.608 5.263 2.831) 6.188 11.640 ( -6.534 1.902 5.657) 8.849 11.833 ( -6.517 -5.449 5.674) 10.215 11.960 ( -0.542 -7.077 8.311) 10.930 12.298 ( -1.377 -3.819 2.271) 4.652 12.381 ( -2.127 -8.486 2.834) 9.196 12.476 ( 1.931 -2.119 9.423) 9.850 12.628 ( 0.306 -3.551 0.811) 3.655 12.885 ( 1.630 4.033 -1.140) 4.496 12.893 ( 0.088 1.646 -2.928) 3.360 13.167 ( 2.640 20.132 7.237) 21.556 13.421 ( 2.016 -0.356 1.017) 2.286 13.703 ( -0.788 2.476 -0.610) 2.669 13.779 ( 1.563 2.731 -1.551) 3.508 14.003 ( 2.463 -9.260 0.271) 9.586 14.095 ( 0.049 -9.940 4.534) 10.925 14.520 ( -3.361 20.623 -7.070) 22.059 15.025 ( -6.906 -5.363 -4.967) 10.056 15.297 ( 6.613 -0.598 4.421) 7.977 15.321 ( 5.099 -2.169 0.414) 5.557 16.110 ( 2.947 27.387 -24.693) 36.993 16.521 ( -0.120 -3.754 -10.057) 10.736 ======================= Grid point 55 (26/111) ======================= q-point: ( 0.11 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 12.614 13.397 10.582) 21.227 0.915 ( 8.334 5.614 23.832) 25.864 1.139 ( 2.342 -4.208 22.374) 22.886 1.442 ( 4.313 -14.671 7.961) 17.240 1.592 ( 23.312 13.564 18.256) 32.568 1.857 ( -0.781 2.147 -1.956) 3.008 2.127 ( 0.007 0.880 0.947) 1.293 2.182 ( -0.834 -1.794 0.414) 2.022 2.275 ( -1.399 -0.160 7.066) 7.205 2.293 ( -2.090 -0.292 4.472) 4.944 2.334 ( -2.613 -0.107 4.702) 5.380 2.369 ( -2.123 1.327 4.272) 4.951 2.507 ( -0.932 4.282 1.671) 4.690 2.547 ( -4.681 4.020 -1.136) 6.274 2.678 ( 2.550 -2.520 1.022) 3.728 2.733 ( 0.062 -5.108 -0.662) 5.151 2.793 ( 1.883 2.377 -0.402) 3.059 2.995 ( 0.085 -6.417 -2.181) 6.778 3.048 ( -0.735 -1.998 -0.763) 2.262 3.100 ( 1.383 -1.419 -0.090) 1.983 3.189 ( -2.563 2.880 1.065) 4.000 3.349 ( -1.707 -0.273 14.344) 14.447 3.406 ( -2.952 -4.249 10.202) 11.438 3.445 ( -5.881 -1.313 19.006) 19.939 3.553 ( 0.627 0.141 6.931) 6.961 3.706 ( -1.203 -6.706 3.032) 7.457 3.923 ( -6.828 4.537 -3.517) 8.921 4.139 ( -3.055 -7.007 -2.683) 8.101 4.181 ( -3.577 3.345 -3.918) 6.272 4.251 ( -1.647 -1.848 1.656) 2.978 4.673 ( -3.672 3.432 -6.043) 7.860 4.723 ( 4.094 -0.148 0.534) 4.131 5.040 ( 0.661 7.696 -0.215) 7.728 5.400 ( -0.068 -10.158 0.116) 10.159 5.546 ( 2.915 4.276 0.874) 5.248 5.686 ( 0.173 -0.256 1.352) 1.386 5.703 ( 1.613 -0.788 -0.319) 1.824 5.764 ( 1.789 -4.503 1.469) 5.063 5.942 ( -1.965 5.936 0.100) 6.253 6.070 ( -2.052 5.299 -5.198) 7.702 6.109 ( 0.805 0.311 1.590) 1.810 6.257 ( -1.827 0.445 -1.857) 2.643 6.642 ( -6.076 -0.325 0.205) 6.088 6.694 ( -1.060 -1.354 -1.784) 2.478 6.775 ( 0.735 0.783 0.396) 1.145 6.867 ( 4.749 0.400 -3.798) 6.095 6.894 ( 0.549 2.554 -5.056) 5.691 6.959 ( -3.687 -1.797 3.220) 5.214 7.167 ( 2.893 6.840 6.573) 9.917 7.410 ( 2.738 -0.634 0.303) 2.827 7.417 ( 1.708 0.230 -0.378) 1.764 7.488 ( -0.487 -1.177 -2.001) 2.372 7.892 ( -7.855 -3.236 4.607) 9.665 7.935 ( -4.679 -0.024 -4.385) 6.412 7.944 ( 1.379 2.054 -5.780) 6.287 8.037 ( 6.747 -2.253 -4.861) 8.616 8.105 ( -4.928 10.090 -3.396) 11.731 8.219 ( -5.294 2.601 -2.029) 6.237 8.311 ( -5.624 -3.735 4.414) 8.066 8.319 ( -0.352 -0.567 -2.897) 2.973 8.421 ( 15.428 -0.184 -0.807) 15.450 8.499 ( 0.005 -2.371 -2.088) 3.160 8.650 ( 3.357 7.173 -3.233) 8.554 8.708 ( 3.725 -0.665 -1.454) 4.054 8.824 ( 5.945 -0.331 -2.483) 6.451 8.918 ( 3.147 2.730 -3.143) 5.219 8.971 ( 2.674 3.508 -2.072) 4.873 9.111 ( 2.946 -0.850 7.551) 8.150 9.229 ( 0.067 -3.387 1.507) 3.708 9.313 ( 5.580 -0.613 9.033) 10.635 9.377 ( -6.430 5.483 4.341) 9.500 9.489 ( -0.573 4.420 5.190) 6.841 9.597 ( 2.492 -1.277 4.398) 5.214 9.663 ( -1.026 -3.973 1.024) 4.229 9.711 ( 0.852 -1.763 7.200) 7.462 9.839 ( -2.889 6.563 13.523) 15.306 10.104 ( 1.632 3.919 7.191) 8.351 10.134 ( 1.487 -8.365 -0.601) 8.517 10.279 ( -0.557 -7.638 13.770) 15.756 10.586 ( -8.049 -0.123 -5.300) 9.638 10.821 ( 0.634 -21.647 8.361) 23.215 11.026 ( 2.094 -8.270 -0.546) 8.548 11.102 ( -4.800 0.574 -3.976) 6.260 11.266 ( -2.475 -7.631 -2.631) 8.442 11.422 ( 3.595 -2.926 2.058) 5.072 11.446 ( -0.227 -1.678 -4.472) 4.782 11.519 ( -1.084 0.303 -0.307) 1.166 11.590 ( -1.468 0.524 1.713) 2.316 11.775 ( -1.615 -0.724 6.883) 7.107 11.993 ( 0.511 -5.795 4.808) 7.547 12.349 ( 3.453 -10.560 2.782) 11.453 12.368 ( -0.599 -12.396 1.885) 12.553 12.591 ( 3.141 -1.943 5.546) 6.663 12.649 ( 1.644 -6.543 1.342) 6.879 12.881 ( 1.490 2.971 -3.774) 5.030 12.942 ( 3.839 3.519 0.693) 5.253 13.255 ( 1.019 19.883 9.527) 22.071 13.451 ( 0.018 1.631 1.805) 2.433 13.690 ( -0.197 1.023 -0.544) 1.176 13.822 ( 3.701 3.102 -0.643) 4.871 14.087 ( 5.240 -9.628 -0.251) 10.965 14.114 ( -0.972 -9.493 4.965) 10.757 14.376 ( -5.607 18.555 -5.304) 20.096 14.839 ( -8.104 -5.291 -4.689) 10.755 15.439 ( 5.932 0.592 1.663) 6.189 15.484 ( 7.676 -1.134 1.921) 7.994 15.944 ( -4.630 20.179 -13.928) 24.953 16.374 ( -7.975 -4.722 -10.687) 14.146 ======================= Grid point 56 (27/111) ======================= q-point: ( 0.22 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 16.825 8.890 7.143) 20.326 1.240 ( 11.900 2.362 19.892) 23.300 1.351 ( 7.328 -2.415 17.596) 19.214 1.622 ( 9.954 -12.202 5.584) 16.708 1.888 ( 5.556 4.564 2.011) 7.466 2.045 ( 9.996 -2.200 3.717) 10.890 2.145 ( -0.000 0.753 3.258) 3.344 2.178 ( 1.161 0.369 3.505) 3.710 2.250 ( -2.842 0.159 2.835) 4.017 2.276 ( -3.422 -0.301 3.357) 4.804 2.326 ( -1.244 1.893 7.063) 7.417 2.336 ( -2.581 2.238 5.638) 6.592 2.423 ( -6.825 5.656 0.138) 8.865 2.502 ( -1.706 2.489 2.091) 3.671 2.717 ( 2.774 -0.522 0.589) 2.884 2.752 ( -0.015 -0.499 -0.846) 0.982 2.809 ( 0.216 2.110 -1.763) 2.759 2.963 ( -2.505 -5.764 -0.664) 6.320 3.015 ( -0.580 -2.810 -3.131) 4.247 3.098 ( -1.081 -3.969 -2.359) 4.742 3.183 ( -0.075 1.602 5.436) 5.668 3.330 ( -6.408 -6.355 3.889) 9.827 3.413 ( -2.983 1.095 13.815) 14.176 3.449 ( -4.134 -0.395 20.502) 20.919 3.619 ( -0.889 0.480 3.021) 3.185 3.652 ( -1.532 1.707 6.162) 6.575 3.904 ( 3.650 -4.614 3.313) 6.752 4.047 ( -5.881 -7.432 -0.744) 9.507 4.143 ( -0.211 1.431 -0.152) 1.455 4.245 ( -0.877 -2.140 3.881) 4.518 4.547 ( -3.756 6.316 -6.725) 9.961 4.760 ( 0.420 -4.244 -2.343) 4.866 5.030 ( -1.849 8.971 2.562) 9.511 5.409 ( 1.146 -9.540 -0.058) 9.609 5.575 ( 0.351 4.896 -2.265) 5.406 5.688 ( -1.469 2.891 0.909) 3.368 5.736 ( 3.266 -0.576 -0.686) 3.387 5.819 ( 2.417 -4.006 3.008) 5.562 5.935 ( 0.802 3.459 -1.540) 3.870 6.010 ( -1.550 3.275 -1.048) 3.772 6.163 ( 2.738 0.972 -0.984) 3.068 6.228 ( -0.382 0.641 1.779) 1.929 6.527 ( -5.491 1.950 2.224) 6.237 6.641 ( -4.073 -3.249 -3.411) 6.227 6.760 ( -2.339 1.753 0.212) 2.931 6.898 ( 1.890 2.050 -3.650) 4.593 6.911 ( -1.347 -2.119 1.531) 2.941 6.950 ( 6.405 1.302 -4.917) 8.179 7.225 ( -1.225 6.796 6.670) 9.601 7.395 ( -2.583 -2.258 0.286) 3.443 7.449 ( -1.096 -0.359 -0.104) 1.158 7.486 ( 0.258 -1.506 -5.038) 5.265 7.700 ( -8.815 2.471 -3.023) 9.641 7.765 ( -3.985 2.149 -7.624) 8.867 7.859 ( -4.806 2.337 -7.208) 8.973 8.054 ( 2.217 3.954 -2.728) 5.291 8.102 ( 0.779 -4.230 -3.639) 5.634 8.144 ( -2.054 -1.067 4.512) 5.072 8.216 ( -3.915 -1.004 3.763) 5.522 8.364 ( 3.043 0.783 -1.131) 3.340 8.426 ( 0.490 -4.936 -6.844) 8.452 8.652 ( 1.716 -7.161 -2.901) 7.915 8.770 ( 5.441 11.926 2.588) 13.362 8.843 ( 9.485 7.384 -2.324) 12.243 8.906 ( 4.745 1.867 -5.522) 7.516 8.992 ( 5.047 3.557 2.270) 6.579 9.042 ( 3.400 3.392 3.463) 5.921 9.161 ( -2.025 0.986 2.340) 3.248 9.194 ( -3.665 -3.967 0.260) 5.407 9.294 ( -2.281 1.169 4.225) 4.941 9.442 ( 0.948 6.459 2.189) 6.885 9.597 ( -2.209 3.869 3.313) 5.552 9.643 ( 12.628 -1.009 7.975) 14.970 9.704 ( 1.540 -0.872 2.851) 3.356 9.777 ( 3.526 -0.854 2.875) 4.629 9.864 ( -0.071 1.043 7.312) 7.386 10.091 ( -5.925 -7.828 5.219) 11.118 10.175 ( 1.007 -4.708 4.715) 6.739 10.368 ( 6.161 -4.455 1.771) 7.806 10.396 ( -8.488 1.369 -3.204) 9.175 10.835 ( -8.681 -4.567 7.388) 12.281 10.994 ( 1.922 0.759 0.557) 2.140 11.089 ( 1.330 -6.581 0.138) 6.716 11.181 ( -2.805 -5.646 -0.877) 6.365 11.366 ( -3.488 1.883 -2.621) 4.752 11.404 ( -5.949 -1.095 4.436) 7.502 11.542 ( -1.331 -2.305 -3.957) 4.769 11.583 ( 5.278 -2.333 -1.521) 5.968 11.835 ( 2.300 3.840 6.310) 7.736 12.035 ( 2.088 -3.737 0.759) 4.348 12.356 ( -1.482 -13.967 2.260) 14.226 12.416 ( 1.249 -12.250 1.574) 12.414 12.606 ( -1.514 -1.445 1.266) 2.446 12.706 ( 1.651 -9.005 0.031) 9.155 12.927 ( 4.838 5.220 -2.475) 7.536 13.029 ( 4.939 3.556 0.753) 6.132 13.299 ( -2.451 20.404 9.795) 22.766 13.438 ( -1.822 2.160 0.073) 2.827 13.686 ( -0.238 -0.640 0.371) 0.777 13.899 ( 4.673 3.565 -1.772) 6.139 14.112 ( -1.810 -7.345 4.024) 8.568 14.178 ( 4.684 -7.443 -1.976) 9.014 14.273 ( -3.211 13.019 -2.337) 13.611 14.685 ( -5.640 -5.816 -3.054) 8.658 15.492 ( -0.116 7.154 -2.108) 7.459 15.618 ( 5.143 -0.859 1.465) 5.417 15.852 ( 0.854 6.645 -6.048) 9.026 16.145 ( -9.078 -4.873 -8.626) 13.438 ======================= Grid point 57 (28/111) ======================= q-point: ( 0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 14.916 7.655 4.966) 17.486 1.566 ( 11.174 0.689 15.416) 19.052 1.596 ( 8.653 -0.729 13.325) 15.905 1.819 ( 7.940 -5.582 2.047) 9.919 2.086 ( 3.698 -0.561 2.619) 4.566 2.094 ( -5.098 -0.187 4.017) 6.493 2.130 ( -5.337 0.720 0.456) 5.405 2.139 ( 6.038 0.171 4.208) 7.362 2.183 ( -3.888 2.138 -0.613) 4.480 2.269 ( -2.055 -1.637 4.992) 5.641 2.305 ( -1.829 0.790 5.668) 6.008 2.324 ( -2.673 1.728 3.026) 4.392 2.382 ( -0.832 -1.767 3.379) 3.903 2.455 ( -4.196 -1.410 1.831) 4.791 2.701 ( -2.749 2.943 -1.665) 4.358 2.769 ( -2.728 2.544 -2.819) 4.675 2.809 ( 3.767 3.562 1.877) 5.514 2.939 ( -0.559 -2.356 1.083) 2.652 2.961 ( -3.758 -3.033 -5.512) 7.328 3.055 ( -0.880 -4.413 -4.008) 6.026 3.187 ( -3.403 -1.672 6.841) 7.821 3.249 ( -3.253 -6.538 3.618) 8.149 3.451 ( -0.653 0.997 12.917) 12.971 3.498 ( -1.477 -0.919 15.261) 15.359 3.563 ( -4.642 4.241 6.970) 9.387 3.722 ( 0.224 0.160 6.454) 6.460 3.930 ( -4.753 -3.617 0.416) 5.987 3.964 ( -0.252 -5.726 -0.653) 5.768 4.179 ( 1.553 1.315 4.692) 5.114 4.277 ( 2.443 -3.994 5.103) 6.925 4.480 ( -0.042 6.986 -4.606) 8.368 4.747 ( 0.504 -5.607 -2.851) 6.310 5.036 ( 1.840 9.840 3.085) 10.475 5.410 ( -0.500 -7.024 -3.119) 7.702 5.558 ( -1.204 4.991 -0.391) 5.149 5.690 ( 2.520 3.666 -1.078) 4.577 5.792 ( 2.278 -0.179 -3.844) 4.472 5.862 ( -0.130 -5.459 3.780) 6.641 5.932 ( -0.608 1.146 0.538) 1.405 5.986 ( -1.502 2.163 0.253) 2.645 6.168 ( -1.823 -0.221 -2.214) 2.876 6.202 ( -4.095 -0.054 0.845) 4.182 6.495 ( 0.339 2.252 4.913) 5.415 6.562 ( -0.555 0.281 -0.015) 0.622 6.720 ( -1.439 2.712 -1.456) 3.398 6.837 ( -5.543 -4.128 2.496) 7.349 6.960 ( 3.298 3.463 -3.300) 5.810 7.059 ( 7.071 1.055 -3.307) 7.877 7.197 ( -5.220 3.206 6.626) 9.024 7.296 ( -4.786 -0.847 -3.193) 5.816 7.338 ( -8.018 -1.568 -4.218) 9.194 7.438 ( -0.573 -3.438 -1.365) 3.743 7.623 ( 1.083 6.962 -0.557) 7.067 7.773 ( 0.939 0.531 -1.629) 1.954 7.788 ( 5.898 3.307 -5.725) 8.860 8.047 ( -0.059 3.605 -3.516) 5.036 8.084 ( -3.216 -1.555 1.281) 3.795 8.153 ( 1.270 -3.722 -1.036) 4.067 8.234 ( 4.184 -4.669 0.759) 6.315 8.391 ( 1.764 -2.581 -2.871) 4.244 8.447 ( 4.045 -0.616 -2.415) 4.752 8.644 ( -0.518 -6.408 -3.455) 7.298 8.821 ( -2.571 7.070 3.346) 8.233 8.898 ( 2.100 9.029 -3.913) 10.062 8.947 ( 1.195 -0.069 -3.405) 3.609 9.021 ( -2.730 0.642 4.289) 5.124 9.066 ( -1.973 -0.221 -1.072) 2.256 9.110 ( -4.422 -1.126 0.147) 4.565 9.205 ( 2.463 2.624 5.099) 6.241 9.318 ( 2.549 10.752 -1.039) 11.098 9.419 ( -3.176 0.302 5.250) 6.143 9.583 ( -1.449 6.396 2.105) 6.888 9.743 ( 2.751 2.362 1.222) 3.827 9.847 ( 0.176 -0.141 3.106) 3.114 9.917 ( 4.348 -2.765 2.432) 5.698 9.938 ( 8.983 -0.922 4.100) 9.918 10.032 ( -0.272 -6.000 4.800) 7.689 10.200 ( -0.360 -2.925 -2.052) 3.591 10.245 ( -6.553 5.227 3.318) 9.016 10.450 ( -3.821 -9.975 3.288) 11.177 10.697 ( -1.596 4.890 -0.734) 5.196 11.019 ( -1.392 -3.795 -0.013) 4.042 11.107 ( 0.262 -4.918 1.583) 5.173 11.190 ( 0.858 -8.902 -2.966) 9.422 11.304 ( -1.140 1.622 2.217) 2.974 11.322 ( -2.890 -0.366 0.581) 2.971 11.514 ( 0.048 -0.944 -1.407) 1.695 11.665 ( 3.889 -1.050 -1.736) 4.386 11.911 ( 1.998 3.822 6.084) 7.458 12.075 ( 2.006 -2.491 -0.703) 3.275 12.340 ( -1.894 -10.482 4.251) 11.469 12.419 ( -1.307 -13.116 1.241) 13.239 12.587 ( -0.539 -0.991 0.200) 1.146 12.713 ( -0.047 -10.137 -0.739) 10.164 12.987 ( 1.800 7.649 -0.931) 7.913 13.140 ( 5.617 1.282 -0.545) 5.787 13.268 ( -5.545 20.814 8.130) 23.023 13.393 ( -1.795 0.419 -2.994) 3.516 13.685 ( -0.074 0.232 0.675) 0.717 13.970 ( 4.074 4.212 -2.988) 6.577 14.097 ( -1.607 -3.595 2.469) 4.648 14.205 ( -2.322 7.278 -1.491) 7.783 14.245 ( 2.836 -4.309 -2.449) 5.711 14.590 ( -3.047 -5.902 -1.580) 6.827 15.455 ( -1.417 8.355 -2.447) 8.820 15.687 ( 1.733 -2.395 -0.720) 3.043 15.867 ( 2.592 0.894 -3.952) 4.810 15.967 ( -4.840 -2.838 -5.526) 7.875 ======================= Grid point 58 (29/111) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 8.459 5.203 2.454) 10.229 1.808 ( 5.645 0.193 8.838) 10.489 1.816 ( 6.030 0.244 9.813) 11.520 1.904 ( -4.229 1.090 1.947) 4.782 1.936 ( -7.033 2.803 2.316) 7.917 2.001 ( -7.399 1.829 5.519) 9.410 2.034 ( -3.144 0.488 1.342) 3.453 2.203 ( 0.970 -0.436 4.250) 4.381 2.219 ( -2.635 -3.171 0.091) 4.124 2.255 ( -0.922 -2.191 5.195) 5.713 2.297 ( -0.417 1.341 -0.109) 1.409 2.345 ( -4.281 -0.218 4.077) 5.916 2.404 ( 0.633 -1.632 1.307) 2.185 2.450 ( 4.368 -0.836 2.906) 5.312 2.687 ( 4.071 -1.248 1.652) 4.567 2.700 ( -3.176 2.189 -2.799) 4.766 2.790 ( -6.161 -1.122 -4.527) 7.727 2.859 ( 0.369 2.268 0.793) 2.431 2.946 ( -0.152 -1.737 0.079) 1.746 3.035 ( 1.340 -3.387 -4.511) 5.798 3.152 ( -3.872 -0.875 6.265) 7.416 3.241 ( -0.270 -5.888 3.609) 6.912 3.506 ( 0.412 2.860 3.028) 4.185 3.513 ( -5.714 0.894 15.931) 16.948 3.557 ( -4.188 -0.391 18.007) 18.492 3.713 ( -1.676 -3.449 2.109) 4.376 3.890 ( 0.127 -1.110 0.288) 1.154 3.975 ( 1.505 -4.656 1.869) 5.238 4.144 ( -6.522 1.799 3.286) 7.521 4.348 ( -1.575 -7.956 3.365) 8.781 4.495 ( 4.773 9.717 -5.091) 11.963 4.758 ( 1.672 -1.722 -0.630) 2.481 5.110 ( 1.946 7.067 -0.680) 7.361 5.373 ( -1.373 -2.242 -3.700) 4.539 5.538 ( 0.280 5.126 0.449) 5.153 5.725 ( 0.302 -0.107 -2.680) 2.700 5.762 ( -0.616 -4.137 -0.154) 4.185 5.871 ( -0.122 3.809 -6.777) 7.775 5.908 ( -3.268 -0.284 -3.901) 5.097 5.921 ( -1.951 -5.863 5.035) 7.971 6.122 ( -0.790 3.095 3.374) 4.646 6.177 ( 0.154 0.165 1.840) 1.854 6.552 ( 0.816 0.281 3.191) 3.305 6.590 ( 1.782 0.698 2.104) 2.844 6.701 ( -1.729 0.048 1.787) 2.487 6.738 ( -2.677 0.771 0.588) 2.847 6.971 ( -0.043 -0.586 -1.220) 1.354 7.124 ( -2.956 -2.299 2.254) 4.371 7.162 ( 1.704 3.008 1.779) 3.888 7.218 ( -0.212 3.038 -1.029) 3.214 7.278 ( 1.139 1.915 1.789) 2.857 7.443 ( 1.908 -3.777 1.104) 4.373 7.665 ( 2.431 5.840 2.235) 6.709 7.827 ( 4.405 -0.384 -2.338) 5.002 7.877 ( 4.729 0.456 -4.959) 6.868 8.023 ( -1.279 1.654 0.688) 2.201 8.036 ( -1.417 -1.225 0.541) 1.949 8.170 ( 1.931 -5.975 -3.850) 7.366 8.321 ( 5.094 1.950 -2.898) 6.177 8.436 ( 4.776 -1.479 -1.920) 5.355 8.532 ( 5.591 -2.646 -0.728) 6.229 8.600 ( -2.038 -4.276 -2.456) 5.336 8.735 ( -5.629 4.087 1.232) 7.064 8.881 ( -5.793 -2.063 2.255) 6.550 8.918 ( 1.345 7.088 -3.849) 8.177 9.004 ( -1.482 3.932 5.104) 6.611 9.041 ( -0.499 0.078 -3.451) 3.488 9.077 ( 1.993 0.617 -2.181) 3.018 9.184 ( -6.235 2.568 1.248) 6.857 9.339 ( 2.129 7.844 -1.121) 8.205 9.444 ( 0.550 -2.753 6.041) 6.662 9.570 ( -1.191 9.057 3.567) 9.807 9.797 ( 1.474 2.044 0.576) 2.585 9.848 ( 1.208 -0.909 -1.846) 2.386 9.923 ( -3.121 -3.814 4.538) 6.700 10.070 ( -2.284 4.627 1.620) 5.408 10.110 ( 4.601 -0.595 4.106) 6.196 10.161 ( -5.264 0.095 -0.828) 5.329 10.202 ( 3.945 -0.133 2.889) 4.892 10.270 ( -12.343 -0.853 4.620) 13.206 10.767 ( 6.967 -5.421 -5.897) 10.616 10.985 ( -3.665 -2.016 0.574) 4.222 11.066 ( -1.126 -8.241 -5.006) 9.708 11.135 ( -1.937 -3.678 -7.593) 8.657 11.268 ( -2.163 -1.346 -2.722) 3.728 11.368 ( 2.597 -7.299 3.392) 8.457 11.518 ( -0.215 2.856 2.121) 3.564 11.710 ( 1.880 0.059 -0.818) 2.051 11.971 ( 0.103 1.670 5.472) 5.723 12.115 ( 2.580 -3.148 0.324) 4.083 12.323 ( -3.227 -5.597 5.469) 8.465 12.422 ( 1.569 -12.178 3.151) 12.677 12.586 ( 0.103 -0.420 0.159) 0.461 12.710 ( 0.237 -10.495 -0.105) 10.499 12.996 ( -0.137 9.031 0.284) 9.036 13.141 ( -5.559 13.408 3.876) 15.023 13.256 ( 1.077 2.840 -3.369) 4.536 13.351 ( 0.293 1.363 -3.047) 3.351 13.694 ( 0.421 1.836 1.288) 2.282 14.012 ( 2.102 3.540 -4.038) 5.767 14.084 ( -0.948 -0.946 1.529) 2.033 14.151 ( -2.180 6.852 -0.668) 7.222 14.272 ( 1.682 -4.083 -3.862) 5.867 14.549 ( -0.500 -5.631 -0.571) 5.682 15.430 ( 0.156 7.279 -1.666) 7.469 15.686 ( -0.198 -3.877 -2.675) 4.714 15.885 ( 1.447 -0.429 -3.909) 4.190 15.901 ( 0.024 -0.577 -3.330) 3.380 ======================= Grid point 59 (30/111) ======================= q-point: (-0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -13.328 6.497 -1.182) 14.874 1.698 ( -13.392 0.257 4.736) 14.207 1.705 ( -14.465 1.101 5.325) 15.453 1.940 ( -4.496 -2.465 1.195) 5.265 2.010 ( 4.174 0.166 7.458) 8.548 2.031 ( 2.340 -0.697 4.837) 5.418 2.060 ( 7.665 3.961 3.147) 9.184 2.151 ( 0.736 1.262 1.258) 1.928 2.241 ( -2.507 -1.140 4.630) 5.388 2.254 ( -3.861 -2.776 2.331) 5.296 2.294 ( -0.409 -0.124 2.172) 2.214 2.320 ( -0.472 0.900 0.837) 1.316 2.331 ( -9.614 -0.663 0.325) 9.643 2.453 ( 0.713 -5.757 2.739) 6.415 2.669 ( 3.557 4.552 -1.339) 5.930 2.711 ( -0.015 4.366 -1.042) 4.488 2.827 ( 0.596 -0.583 0.505) 0.975 2.912 ( 5.357 -3.810 -2.074) 6.893 2.944 ( 2.185 -0.239 -0.485) 2.251 3.055 ( 2.977 -3.845 -2.378) 5.413 3.126 ( -1.543 1.290 4.191) 4.649 3.254 ( -1.381 -4.449 5.223) 6.999 3.480 ( -6.702 -0.643 16.071) 17.424 3.504 ( -6.568 -0.876 15.421) 16.784 3.591 ( 0.989 4.838 9.246) 10.482 3.736 ( 2.582 -3.662 0.744) 4.542 3.874 ( -4.606 -1.063 -2.545) 5.369 3.982 ( -4.799 3.788 0.353) 6.124 4.057 ( 2.016 -10.330 0.110) 10.526 4.248 ( -8.276 -9.056 1.172) 12.323 4.568 ( 4.502 11.258 -2.029) 12.293 4.798 ( 2.145 2.429 1.358) 3.514 5.048 ( -4.807 4.124 -1.780) 6.579 5.309 ( -2.341 -3.273 -5.693) 6.972 5.594 ( 3.734 3.652 1.409) 5.410 5.698 ( -4.872 -3.725 -2.938) 6.800 5.750 ( 1.117 1.847 -6.392) 6.747 5.835 ( 5.385 2.249 -1.758) 6.095 5.878 ( -3.533 -2.480 1.624) 4.612 5.924 ( 2.682 -2.675 -1.200) 3.973 6.146 ( 0.230 4.901 3.931) 6.287 6.214 ( 2.425 1.402 1.043) 2.989 6.554 ( 0.429 1.572 1.245) 2.051 6.580 ( -5.423 -1.008 6.535) 8.551 6.713 ( 3.440 -1.350 1.806) 4.113 6.770 ( 1.757 -1.596 1.039) 2.591 6.988 ( 1.965 0.654 -1.909) 2.816 7.084 ( -1.523 2.433 4.268) 5.143 7.200 ( 0.636 -0.704 0.786) 1.233 7.239 ( 2.254 -0.531 -0.369) 2.345 7.339 ( 3.040 3.965 3.775) 6.262 7.522 ( 3.744 -2.317 3.968) 5.927 7.722 ( -0.325 3.925 2.442) 4.634 7.845 ( 1.565 0.184 0.974) 1.853 7.927 ( 3.276 -2.071 -3.797) 5.426 8.004 ( -0.602 -4.355 -0.510) 4.426 8.067 ( 2.432 2.215 2.938) 4.411 8.167 ( -0.744 -5.089 -2.881) 5.895 8.410 ( 5.993 5.866 -3.614) 9.132 8.521 ( -0.792 -1.319 3.008) 3.379 8.543 ( -0.275 -1.263 0.809) 1.525 8.634 ( 3.869 -0.638 -3.850) 5.495 8.696 ( 3.932 1.001 1.051) 4.192 8.813 ( -1.904 -2.527 3.454) 4.684 8.914 ( 0.718 4.270 -3.793) 5.757 8.982 ( -4.040 4.293 1.759) 6.152 9.021 ( 0.231 6.761 -2.976) 7.390 9.070 ( -2.207 3.619 -1.916) 4.652 9.116 ( 2.098 1.958 -1.616) 3.293 9.387 ( 1.964 -0.583 2.593) 3.305 9.443 ( -4.418 -2.509 5.885) 7.774 9.584 ( 0.776 12.251 0.422) 12.283 9.781 ( -3.454 0.829 -2.009) 4.081 9.857 ( -4.271 -1.474 -0.885) 4.604 9.884 ( -1.023 -2.381 -0.307) 2.610 9.965 ( -11.494 -0.051 2.858) 11.844 10.000 ( -4.459 2.797 1.808) 5.565 10.086 ( -2.981 1.132 -1.143) 3.387 10.257 ( 3.843 1.354 4.111) 5.788 10.321 ( 4.905 -3.117 3.057) 6.567 10.808 ( -1.276 -10.198 -5.802) 11.802 10.910 ( -1.121 -3.463 0.056) 3.640 11.033 ( 0.730 -12.824 -12.561) 17.966 11.067 ( -0.756 0.653 -2.180) 2.398 11.197 ( -1.384 3.022 -5.506) 6.432 11.427 ( 2.264 -6.688 1.231) 7.168 11.516 ( -1.646 1.948 4.713) 5.359 11.739 ( 1.036 -1.309 0.142) 1.676 11.957 ( -3.961 0.040 3.290) 5.150 12.147 ( -1.172 -6.413 2.585) 7.013 12.319 ( 0.573 -0.433 5.786) 5.830 12.500 ( 2.861 -8.616 5.471) 10.600 12.591 ( 0.090 0.477 1.165) 1.262 12.722 ( 0.866 -10.483 0.413) 10.527 12.992 ( -0.310 8.882 -0.395) 8.896 13.062 ( -3.638 12.424 1.059) 12.989 13.189 ( -4.037 3.517 -6.214) 8.203 13.369 ( 1.847 -2.041 -2.851) 3.963 13.710 ( 0.050 2.537 2.218) 3.370 13.999 ( -0.678 4.963 -5.253) 7.258 14.061 ( -2.586 -6.723 2.684) 7.687 14.141 ( 2.247 10.609 -3.544) 11.409 14.265 ( -0.003 -3.080 -3.457) 4.630 14.570 ( 2.775 -5.877 0.656) 6.532 15.443 ( 1.930 7.597 -1.015) 7.904 15.657 ( -1.144 -1.984 -4.179) 4.765 15.881 ( -0.069 -0.424 -4.269) 4.291 15.920 ( 4.705 -2.200 -2.355) 5.703 ======================= Grid point 60 (31/111) ======================= q-point: (-0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -18.091 6.473 -0.292) 19.217 1.422 ( -18.394 3.408 7.852) 20.288 1.459 ( -15.112 -1.348 8.231) 17.261 1.784 ( -11.496 -8.842 0.771) 14.523 1.981 ( -8.718 3.388 -0.447) 9.364 2.071 ( 0.424 0.207 1.882) 1.941 2.153 ( 0.440 -0.235 5.986) 6.007 2.195 ( -4.467 -1.716 1.480) 5.008 2.203 ( 0.710 1.136 4.343) 4.545 2.245 ( -0.635 -0.899 5.930) 6.032 2.284 ( 5.211 3.108 2.776) 6.673 2.305 ( 0.772 -0.457 1.381) 1.647 2.348 ( 0.487 1.177 1.489) 1.960 2.453 ( -1.655 1.139 1.634) 2.590 2.677 ( -0.201 1.486 -2.958) 3.317 2.766 ( 3.185 3.561 0.530) 4.807 2.824 ( 0.093 -1.952 -1.250) 2.320 2.925 ( 1.518 -2.818 -2.415) 4.010 3.021 ( 3.712 -0.187 -3.056) 4.811 3.114 ( 1.719 -1.859 2.802) 3.776 3.136 ( 0.366 -2.397 0.605) 2.499 3.245 ( -2.400 -4.264 6.349) 8.016 3.435 ( -7.208 0.488 18.213) 19.593 3.466 ( -8.336 0.679 18.084) 19.924 3.596 ( -11.972 1.549 -2.442) 12.316 3.685 ( 3.828 4.840 5.421) 8.214 3.869 ( 1.917 -5.203 -3.152) 6.378 3.916 ( 1.174 -1.746 -1.845) 2.799 4.077 ( 0.081 -6.325 -1.474) 6.495 4.187 ( 1.697 -10.621 3.767) 11.396 4.655 ( 4.529 10.504 2.686) 11.750 4.854 ( 3.293 5.301 0.094) 6.241 4.978 ( -2.825 0.520 1.772) 3.375 5.237 ( -0.562 -7.473 -7.822) 10.833 5.572 ( -3.357 1.555 -3.658) 5.203 5.642 ( -0.613 2.142 -2.006) 2.998 5.742 ( -1.621 0.913 -0.424) 1.908 5.816 ( -0.343 -0.020 -0.405) 0.531 5.960 ( 6.370 2.156 -2.829) 7.296 6.013 ( 7.561 -0.818 -0.149) 7.607 6.149 ( -2.212 6.149 2.456) 6.981 6.247 ( -0.167 1.491 0.651) 1.635 6.531 ( -2.562 1.451 6.403) 7.048 6.626 ( 5.142 -0.080 2.310) 5.638 6.765 ( 0.203 -5.041 1.915) 5.396 6.799 ( 1.042 -4.669 2.339) 5.325 6.977 ( -1.282 4.573 -2.880) 5.554 7.107 ( 0.376 4.967 2.471) 5.560 7.180 ( -2.655 -0.138 -0.260) 2.672 7.296 ( 3.308 -5.620 -1.435) 6.677 7.449 ( 6.871 1.416 1.069) 7.097 7.542 ( -4.475 -2.222 3.128) 5.895 7.682 ( -2.390 4.672 0.669) 5.290 7.936 ( -2.693 -4.276 1.125) 5.178 7.969 ( 5.556 0.864 1.321) 5.776 8.025 ( 6.070 -2.869 1.355) 6.849 8.098 ( -1.939 0.911 -1.711) 2.742 8.155 ( 2.865 -1.351 3.539) 4.750 8.426 ( -7.452 4.308 4.978) 9.944 8.460 ( -0.451 2.241 -1.188) 2.576 8.594 ( 3.779 3.718 -3.183) 6.184 8.682 ( 1.474 1.438 0.480) 2.114 8.749 ( -0.806 -0.857 2.950) 3.176 8.881 ( -0.343 2.863 -4.306) 5.182 8.909 ( 6.490 0.715 1.527) 6.706 8.961 ( 1.087 3.385 1.216) 3.757 9.011 ( 1.686 6.077 -2.135) 6.658 9.057 ( 0.615 0.473 1.289) 1.505 9.148 ( 1.973 1.750 -2.378) 3.551 9.360 ( -5.863 2.419 2.419) 6.788 9.426 ( -1.228 -4.380 4.571) 6.449 9.562 ( -2.541 11.677 -3.450) 12.439 9.635 ( -9.653 2.548 -2.624) 10.323 9.709 ( -7.612 -3.111 -1.957) 8.452 9.764 ( -6.969 -0.348 -3.511) 7.811 9.824 ( -2.017 -1.804 -1.180) 2.953 9.995 ( -5.555 -0.735 6.034) 8.234 10.083 ( 2.331 4.851 1.478) 5.582 10.340 ( 3.455 1.199 3.403) 4.995 10.412 ( 2.481 -9.696 0.497) 10.020 10.742 ( -0.686 -11.611 0.045) 11.631 10.884 ( 0.046 -17.838 -7.934) 19.523 11.020 ( 4.196 0.866 -1.728) 4.619 11.056 ( 0.532 0.292 -2.968) 3.029 11.204 ( 4.914 3.353 -4.963) 7.747 11.445 ( -0.408 3.639 -2.418) 4.388 11.552 ( 2.469 -7.742 7.108) 10.796 11.732 ( -1.984 -4.105 0.245) 4.566 11.887 ( -4.797 1.461 3.896) 6.351 12.107 ( -4.258 -6.746 3.175) 8.586 12.382 ( 1.584 -0.090 5.718) 5.934 12.552 ( -1.688 -5.569 6.001) 8.359 12.603 ( 0.072 0.257 1.668) 1.689 12.739 ( 0.024 -11.326 0.441) 11.335 12.968 ( -1.693 7.295 -3.599) 8.309 13.009 ( -2.294 6.625 -1.483) 7.166 13.075 ( -3.265 11.037 -3.957) 12.171 13.373 ( 0.721 -4.055 -3.510) 5.411 13.718 ( -0.602 2.550 2.568) 3.669 13.932 ( -2.995 4.387 -5.068) 7.342 14.036 ( -1.182 -7.326 1.528) 7.576 14.153 ( 0.724 1.417 -6.259) 6.458 14.263 ( 2.183 6.519 -0.585) 6.900 14.663 ( 6.012 -6.454 2.297) 9.115 15.483 ( 2.163 7.739 -1.142) 8.117 15.585 ( -3.342 0.747 -5.705) 6.653 15.846 ( -0.148 2.196 -5.362) 5.796 16.056 ( 10.499 -4.763 -1.662) 11.648 ======================= Grid point 61 (32/111) ======================= q-point: (-0.22 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -19.908 7.808 2.065) 21.484 1.106 ( -20.133 5.724 12.131) 24.193 1.240 ( -14.037 -3.610 14.348) 20.394 1.534 ( -12.994 -12.696 3.193) 18.445 1.834 ( -27.277 8.996 -0.574) 28.727 1.920 ( 0.360 4.875 1.634) 5.154 2.116 ( -0.106 1.692 2.415) 2.951 2.193 ( -0.016 -1.441 4.403) 4.633 2.209 ( -1.393 0.611 4.504) 4.754 2.258 ( -1.461 -0.437 6.144) 6.331 2.339 ( 1.019 1.265 3.570) 3.922 2.351 ( 0.668 1.067 3.102) 3.348 2.432 ( 1.532 3.094 -0.533) 3.493 2.468 ( 4.980 3.388 1.358) 6.174 2.666 ( 0.719 -1.675 -1.951) 2.670 2.782 ( -0.363 2.788 -2.697) 3.896 2.823 ( -0.317 -5.713 -0.115) 5.723 2.961 ( 2.554 -3.786 -0.578) 4.603 3.051 ( 1.342 -0.978 -4.363) 4.668 3.116 ( -2.480 -2.500 3.485) 4.954 3.151 ( 0.741 -2.180 3.369) 4.080 3.257 ( 0.161 -5.372 4.071) 6.742 3.387 ( -4.163 2.225 3.756) 6.032 3.425 ( -3.457 2.472 13.600) 14.248 3.472 ( -7.106 -2.039 17.062) 18.594 3.709 ( -5.578 -9.477 1.168) 11.059 3.854 ( 6.933 4.715 1.318) 8.487 4.048 ( 7.352 -1.307 -2.411) 7.847 4.132 ( 6.166 -0.314 -1.031) 6.260 4.253 ( 2.286 -7.621 3.880) 8.852 4.743 ( 1.302 6.751 3.276) 7.616 4.900 ( 0.385 3.118 -0.910) 3.271 4.951 ( 0.699 2.802 -0.519) 2.934 5.217 ( 3.007 -9.024 -6.747) 11.661 5.510 ( -1.093 3.218 -3.315) 4.748 5.629 ( 0.451 1.344 -0.946) 1.704 5.684 ( -2.417 2.666 0.732) 3.672 5.821 ( -0.549 -3.463 -1.839) 3.959 6.059 ( 4.744 8.081 -3.484) 9.998 6.105 ( -1.723 2.728 4.141) 5.250 6.157 ( 4.788 -1.021 0.687) 4.943 6.212 ( -2.875 0.859 1.424) 3.321 6.569 ( 2.901 2.695 3.871) 5.538 6.700 ( 1.370 -0.084 -3.218) 3.498 6.794 ( 1.056 -4.604 6.125) 7.735 6.822 ( -0.235 -5.463 3.484) 6.483 6.927 ( -1.701 2.386 -3.507) 4.570 7.080 ( -4.634 -1.910 -3.322) 6.013 7.142 ( -0.475 7.897 4.312) 9.010 7.332 ( 1.894 -5.111 -0.991) 5.540 7.441 ( -6.202 1.003 4.459) 7.704 7.562 ( 0.676 -4.290 0.201) 4.348 7.638 ( -1.354 0.731 -2.864) 3.251 7.812 ( -6.516 -4.056 -2.215) 7.989 8.003 ( -1.777 7.300 -2.922) 8.062 8.138 ( 8.244 2.121 1.621) 8.666 8.195 ( 6.974 -2.019 -1.090) 7.341 8.224 ( -0.394 1.766 1.123) 2.129 8.328 ( -2.530 5.440 2.805) 6.623 8.414 ( -2.972 -0.479 -1.674) 3.445 8.621 ( 0.695 11.405 -6.051) 12.930 8.679 ( -1.226 -2.070 3.473) 4.225 8.723 ( -2.813 0.311 -0.591) 2.891 8.844 ( -3.807 4.160 3.918) 6.867 8.937 ( -1.991 5.914 3.416) 7.114 8.990 ( -4.489 -0.929 -4.933) 6.735 9.012 ( 0.481 -1.109 -3.588) 3.786 9.131 ( 2.445 -1.450 3.811) 4.755 9.168 ( -0.095 -1.921 4.892) 5.257 9.285 ( -0.794 7.081 -2.391) 7.516 9.383 ( -1.869 -1.318 5.526) 5.981 9.445 ( -5.848 0.442 1.434) 6.038 9.508 ( -2.187 8.788 -5.870) 10.792 9.586 ( -4.163 -2.746 -0.123) 4.989 9.687 ( 0.569 -0.433 -0.973) 1.207 9.840 ( 3.565 -4.433 2.152) 6.082 9.885 ( -9.427 -1.611 8.727) 12.947 10.086 ( -4.385 4.720 6.684) 9.284 10.310 ( -6.308 5.197 -0.571) 8.193 10.531 ( 9.404 -19.145 -0.177) 21.331 10.786 ( 2.594 -14.934 3.658) 15.593 10.894 ( 3.719 -20.635 -8.257) 22.535 11.089 ( 6.500 3.132 -0.892) 7.270 11.120 ( 5.269 1.353 -0.017) 5.440 11.304 ( 7.453 2.276 -2.877) 8.307 11.396 ( -2.681 3.866 -4.528) 6.529 11.654 ( -1.970 -8.733 -0.777) 8.986 11.681 ( 1.505 -8.005 6.480) 10.409 11.826 ( -4.634 1.400 7.550) 8.969 12.030 ( -5.803 -6.793 4.138) 9.846 12.425 ( -0.665 -0.990 5.105) 5.242 12.495 ( -6.840 -3.085 3.909) 8.460 12.590 ( -3.147 -0.138 1.126) 3.345 12.695 ( -4.414 -11.846 -0.139) 12.642 12.910 ( -0.719 2.910 -3.547) 4.644 12.951 ( -2.563 4.031 -1.801) 5.106 13.050 ( 1.166 16.848 -0.806) 16.908 13.368 ( 0.961 -3.588 -3.256) 4.939 13.720 ( -0.532 2.412 2.123) 3.257 13.840 ( -3.400 3.461 -4.433) 6.572 14.030 ( -0.328 -6.845 0.625) 6.881 14.103 ( -1.947 -8.265 -4.269) 9.503 14.349 ( 6.482 16.352 0.249) 17.592 14.820 ( 8.463 -6.528 3.556) 11.264 15.431 ( -5.865 1.811 -5.448) 8.207 15.507 ( -2.877 1.196 -3.704) 4.840 15.861 ( 6.808 14.351 -7.097) 17.397 16.277 ( 13.108 -5.462 -3.097) 14.535 ======================= Grid point 62 (33/111) ======================= q-point: (-0.11 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -13.230 15.502 8.670) 22.148 0.818 ( -17.643 10.362 16.183) 26.087 1.091 ( -12.035 -3.328 21.996) 25.293 1.271 ( -28.312 19.331 13.312) 36.776 1.408 ( -3.983 -14.016 3.950) 15.096 1.937 ( -0.165 -2.985 -1.238) 3.236 2.125 ( -0.278 -0.354 1.215) 1.296 2.211 ( -0.772 -2.375 3.334) 4.166 2.229 ( 0.576 1.715 6.194) 6.453 2.257 ( -1.647 -0.015 4.886) 5.156 2.355 ( -1.490 0.971 4.953) 5.262 2.372 ( -0.913 1.522 2.651) 3.190 2.442 ( 2.664 6.832 -0.544) 7.353 2.569 ( 3.092 -0.467 0.581) 3.181 2.671 ( 0.478 0.958 -0.596) 1.225 2.751 ( -1.275 -0.484 -1.353) 1.921 2.798 ( -1.622 -5.266 -0.659) 5.550 2.992 ( 0.433 -2.580 0.937) 2.779 3.037 ( -0.062 -2.412 -2.045) 3.163 3.093 ( -0.462 -2.693 -2.302) 3.573 3.192 ( 0.586 1.323 4.322) 4.558 3.288 ( 0.203 -5.034 6.687) 8.372 3.359 ( -3.106 0.294 9.946) 10.423 3.445 ( -4.611 -1.828 15.846) 16.605 3.468 ( -0.161 0.299 6.882) 6.890 3.653 ( -1.220 -7.634 3.943) 8.678 4.032 ( 8.858 5.938 -1.720) 10.802 4.138 ( 4.007 0.741 -3.415) 5.316 4.254 ( 6.238 3.853 -1.600) 7.505 4.330 ( 4.971 -1.833 1.680) 5.558 4.691 ( -7.321 2.351 2.468) 8.076 4.872 ( -3.527 -3.447 -3.454) 6.021 4.974 ( 2.830 6.043 -5.563) 8.688 5.273 ( 5.754 -9.161 -4.247) 11.622 5.485 ( -0.431 3.083 -0.307) 3.128 5.654 ( 2.079 -1.240 0.511) 2.474 5.677 ( 1.102 3.165 -0.078) 3.352 5.762 ( -4.109 0.043 -0.685) 4.166 6.077 ( -1.419 1.989 4.804) 5.390 6.108 ( -4.170 0.546 1.929) 4.627 6.145 ( 2.113 6.044 -4.735) 7.964 6.272 ( 4.840 -1.733 -3.206) 6.059 6.639 ( 3.017 0.963 -0.502) 3.206 6.691 ( 1.293 1.975 -1.297) 2.693 6.803 ( -3.452 -1.395 0.654) 3.780 6.845 ( 0.100 -3.381 2.394) 4.144 6.904 ( 0.350 -0.064 3.869) 3.886 6.988 ( -3.675 -1.460 4.937) 6.326 7.125 ( -5.453 7.108 6.642) 11.153 7.331 ( -2.004 0.191 -4.402) 4.840 7.409 ( 1.284 -6.621 5.977) 9.012 7.505 ( -5.627 -1.933 1.095) 6.049 7.599 ( 2.298 -3.006 -0.001) 3.784 7.678 ( -6.934 -5.138 1.076) 8.697 8.041 ( 7.228 10.541 -6.614) 14.391 8.132 ( -2.801 8.867 -7.215) 11.770 8.234 ( -0.916 -1.552 -9.049) 9.227 8.262 ( 0.328 -0.249 -2.866) 2.895 8.336 ( 3.500 3.108 2.698) 5.403 8.382 ( -0.268 -0.736 -1.263) 1.486 8.570 ( -9.955 3.777 3.348) 11.162 8.634 ( 1.927 5.448 -1.113) 5.885 8.699 ( -2.818 4.521 1.739) 5.604 8.720 ( -4.064 -5.698 -1.263) 7.112 8.899 ( -9.030 -2.812 4.645) 10.537 8.926 ( -0.364 2.795 -4.206) 5.063 8.931 ( -1.323 5.691 -0.749) 5.891 9.098 ( -0.754 -1.816 -2.723) 3.359 9.193 ( -2.464 -5.328 6.043) 8.425 9.309 ( 0.403 -0.851 -0.250) 0.975 9.425 ( 1.830 1.004 3.835) 4.366 9.459 ( 1.022 7.770 -3.000) 8.392 9.514 ( 6.826 -5.296 14.115) 16.550 9.544 ( -0.647 -2.893 1.598) 3.368 9.697 ( -7.289 -4.639 3.444) 9.301 9.789 ( -0.559 4.042 10.964) 11.699 9.968 ( 6.115 -6.289 6.759) 11.074 10.031 ( -5.393 4.856 12.352) 14.326 10.206 ( -3.357 -0.203 -0.288) 3.375 10.613 ( -6.724 -31.397 8.081) 33.110 10.873 ( 4.414 -15.686 4.461) 16.895 10.885 ( 0.637 -14.581 -6.806) 16.104 11.199 ( 3.543 0.477 -1.973) 4.083 11.275 ( 9.446 -2.008 -1.423) 9.762 11.298 ( -2.119 3.687 -7.478) 8.603 11.426 ( 3.828 -1.750 -4.064) 5.851 11.473 ( -10.948 -7.908 3.555) 13.965 11.720 ( -4.373 1.005 5.307) 6.950 11.868 ( 1.684 -8.332 12.019) 14.721 11.942 ( -5.292 -5.688 4.674) 9.066 12.370 ( -6.735 -1.288 2.523) 7.306 12.413 ( -2.989 -3.880 4.035) 6.346 12.486 ( -6.860 -1.393 4.127) 8.126 12.637 ( -1.697 -6.722 0.543) 6.954 12.883 ( -0.396 3.083 -2.461) 3.964 12.913 ( -0.484 1.688 -2.016) 2.673 13.090 ( 2.248 19.210 2.992) 19.571 13.380 ( 1.902 -1.803 -1.440) 2.990 13.719 ( -0.708 2.434 0.930) 2.700 13.776 ( -0.516 3.195 -3.034) 4.436 14.008 ( -1.644 -7.707 -1.647) 8.050 14.072 ( -0.128 -10.694 2.133) 10.906 14.493 ( 7.599 20.430 -1.571) 21.854 15.010 ( 8.436 -6.496 2.898) 11.035 15.276 ( -5.816 1.439 -4.162) 7.295 15.379 ( -6.953 -3.279 -3.720) 8.540 16.023 ( 14.880 26.572 -15.199) 34.036 16.476 ( 9.361 -4.379 -6.615) 12.270 ======================= Grid point 63 (34/111) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -3.604 -4.300 20.771) 21.516 0.879 ( -3.604 4.300 20.771) 21.516 1.063 ( -4.852 -16.673 14.656) 22.723 1.063 ( -4.852 16.673 14.656) 22.723 1.618 ( 4.724 -25.254 4.223) 26.037 1.618 ( 4.724 25.254 4.223) 26.037 2.141 ( -0.577 -2.525 0.366) 2.616 2.141 ( -0.577 2.525 0.366) 2.616 2.271 ( -1.150 -1.232 6.851) 7.056 2.271 ( -1.150 1.232 6.851) 7.056 2.361 ( -2.714 -0.643 5.204) 5.905 2.361 ( -2.714 0.643 5.204) 5.905 2.548 ( 0.168 -1.200 0.625) 1.363 2.548 ( 0.168 1.200 0.625) 1.363 2.707 ( -0.116 -1.917 -1.252) 2.292 2.707 ( -0.116 1.917 -1.252) 2.292 2.886 ( 0.743 -8.415 -2.371) 8.774 2.886 ( 0.743 8.415 -2.371) 8.774 3.055 ( 0.979 -1.734 -0.673) 2.101 3.055 ( 0.979 1.734 -0.673) 2.101 3.257 ( -0.177 -3.471 5.686) 6.664 3.257 ( -0.177 3.471 5.686) 6.664 3.382 ( -4.430 -2.600 16.279) 17.070 3.382 ( -4.430 2.600 16.279) 17.070 3.573 ( 0.371 -4.659 5.146) 6.951 3.573 ( 0.371 4.659 5.146) 6.951 4.131 ( -1.067 -3.402 -4.909) 6.067 4.131 ( -1.067 3.402 -4.909) 6.067 4.397 ( -7.789 -2.586 -9.881) 12.845 4.397 ( -7.789 2.586 -9.881) 12.845 4.638 ( 4.224 -3.579 1.757) 5.808 4.638 ( 4.224 3.579 1.757) 5.808 5.167 ( 3.895 -9.563 -2.787) 10.695 5.167 ( 3.895 9.563 -2.787) 10.695 5.602 ( 1.222 -6.767 1.786) 7.105 5.602 ( 1.222 6.767 1.786) 7.105 5.708 ( -1.711 -0.201 0.756) 1.881 5.708 ( -1.711 0.201 0.756) 1.881 6.083 ( -2.347 -2.939 1.475) 4.040 6.083 ( -2.347 2.939 1.475) 4.040 6.239 ( 0.782 -5.777 -5.985) 8.355 6.239 ( 0.782 5.777 -5.985) 8.355 6.699 ( -0.990 -1.446 -1.035) 2.035 6.699 ( -0.990 1.446 -1.035) 2.035 6.793 ( 3.146 -1.512 -2.573) 4.337 6.793 ( 3.146 1.512 -2.573) 4.337 6.969 ( -2.550 -2.031 4.363) 5.446 6.969 ( -2.550 2.031 4.363) 5.446 7.239 ( 0.483 -11.445 10.161) 15.312 7.239 ( 0.483 11.445 10.161) 15.312 7.425 ( 1.575 -4.889 0.718) 5.186 7.425 ( 1.575 4.889 0.718) 5.186 7.679 ( 10.847 -3.888 10.624) 15.673 7.679 ( 10.847 3.888 10.624) 15.673 8.074 ( -4.140 -1.249 -7.238) 8.431 8.074 ( -4.140 1.249 -7.238) 8.431 8.272 ( 3.112 -1.758 -5.775) 6.792 8.272 ( 3.112 1.758 -5.775) 6.792 8.363 ( -3.265 -3.932 -2.229) 5.576 8.363 ( -3.265 3.932 -2.229) 5.576 8.453 ( -8.008 -7.094 3.707) 11.323 8.453 ( -8.008 7.094 3.707) 11.323 8.665 ( -3.402 -2.130 -1.125) 4.168 8.665 ( -3.402 2.130 -1.125) 4.168 8.947 ( 1.309 -4.214 -2.110) 4.891 8.947 ( 1.309 4.214 -2.110) 4.891 9.018 ( -1.013 -3.297 -0.377) 3.470 9.018 ( -1.013 3.297 -0.377) 3.470 9.129 ( 1.142 -4.115 5.742) 7.156 9.129 ( 1.142 4.115 5.742) 7.156 9.434 ( 1.375 -3.913 5.447) 6.846 9.434 ( 1.375 3.913 5.447) 6.846 9.578 ( -0.500 -2.479 4.930) 5.541 9.578 ( -0.500 2.479 4.930) 5.541 9.862 ( 0.899 -15.324 -3.795) 15.812 9.862 ( 0.899 15.324 -3.795) 15.812 10.009 ( -0.877 -13.823 15.590) 20.854 10.009 ( -0.877 13.823 15.590) 20.854 10.205 ( 0.101 -10.868 16.517) 19.772 10.205 ( 0.101 10.868 16.517) 19.772 10.754 ( 1.150 -7.368 -1.438) 7.595 10.754 ( 1.150 7.368 -1.438) 7.595 11.215 ( -1.185 -1.932 -4.290) 4.851 11.215 ( -1.185 1.932 -4.290) 4.851 11.360 ( 5.111 -2.722 -4.109) 7.100 11.360 ( 5.111 2.722 -4.109) 7.100 11.638 ( -4.358 -4.427 2.913) 6.861 11.638 ( -4.358 4.427 2.913) 6.861 11.823 ( -1.292 -6.325 8.447) 10.632 11.823 ( -1.292 6.325 8.447) 10.632 12.287 ( -3.103 -2.214 0.373) 3.830 12.287 ( -3.103 2.214 0.373) 3.830 12.539 ( 0.755 -5.549 2.825) 6.272 12.539 ( 0.755 5.549 2.825) 6.272 12.919 ( 1.332 -0.578 -2.156) 2.600 12.919 ( 1.332 0.578 -2.156) 2.600 13.391 ( 2.348 -4.773 3.043) 6.128 13.391 ( 2.348 4.773 3.043) 6.128 13.847 ( 1.151 -8.624 0.069) 8.701 13.847 ( 1.151 8.624 0.069) 8.701 13.874 ( 0.347 -9.643 2.453) 9.956 13.874 ( 0.347 9.643 2.453) 9.956 14.845 ( -4.781 -14.118 -5.363) 15.841 14.845 ( -4.781 14.118 -5.363) 15.841 15.295 ( 5.420 -0.589 2.521) 6.007 15.295 ( 5.420 0.589 2.521) 6.007 16.408 ( 0.399 -9.132 -14.160) 16.854 16.408 ( 0.399 9.132 -14.160) 16.854 ======================= Grid point 65 (35/111) ======================= q-point: ( 0.11 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 5.577 -5.630 22.116) 23.493 1.031 ( 5.577 5.630 22.116) 23.493 1.114 ( 5.174 -17.665 10.071) 20.982 1.114 ( 5.174 17.665 10.071) 20.982 1.831 ( 10.140 -7.654 4.169) 13.372 1.831 ( 10.140 7.654 4.169) 13.372 2.145 ( 0.939 -1.640 0.593) 1.981 2.145 ( 0.939 1.640 0.593) 1.981 2.284 ( -1.695 -0.705 5.759) 6.044 2.284 ( -1.695 0.705 5.759) 6.044 2.349 ( -1.392 -2.429 6.579) 7.150 2.349 ( -1.392 2.429 6.579) 7.150 2.559 ( -0.149 -1.508 1.316) 2.006 2.559 ( -0.149 1.508 1.316) 2.006 2.683 ( -0.678 -1.549 -0.662) 1.816 2.683 ( -0.678 1.549 -0.662) 1.816 2.867 ( -0.663 -6.629 -2.422) 7.088 2.867 ( -0.663 6.629 -2.422) 7.088 3.054 ( -0.674 -2.518 -1.528) 3.022 3.054 ( -0.674 2.518 -1.528) 3.022 3.265 ( -2.476 -5.627 5.792) 8.446 3.265 ( -2.476 5.627 5.792) 8.446 3.411 ( -3.546 -2.348 19.091) 19.559 3.411 ( -3.546 2.348 19.091) 19.559 3.595 ( -0.307 -4.599 4.410) 6.379 3.595 ( -0.307 4.599 4.410) 6.379 4.015 ( -6.890 -5.776 -4.135) 9.896 4.015 ( -6.890 5.776 -4.135) 9.896 4.220 ( -3.406 -1.345 -0.909) 3.773 4.220 ( -3.406 1.345 -0.909) 3.773 4.720 ( 1.348 -1.189 -3.946) 4.336 4.720 ( 1.348 1.189 -3.946) 4.336 5.206 ( 0.956 -10.011 0.033) 10.057 5.206 ( 0.956 10.011 0.033) 10.057 5.641 ( 1.324 -5.248 2.735) 6.064 5.641 ( 1.324 5.248 2.735) 6.064 5.704 ( 1.889 -0.735 -1.319) 2.418 5.704 ( 1.889 0.735 -1.319) 2.418 6.036 ( -2.223 -4.196 0.008) 4.748 6.036 ( -2.223 4.196 0.008) 4.748 6.218 ( 0.062 -5.125 -3.296) 6.094 6.218 ( 0.062 5.125 -3.296) 6.094 6.658 ( -2.954 -2.280 -1.723) 4.110 6.658 ( -2.954 2.280 -1.723) 4.110 6.825 ( 0.683 -4.183 1.210) 4.408 6.825 ( 0.683 4.183 1.210) 4.408 6.924 ( -0.900 -1.291 -0.610) 1.688 6.924 ( -0.900 1.291 -0.610) 1.688 7.334 ( 2.039 -7.636 4.456) 9.073 7.334 ( 2.039 7.636 4.456) 9.073 7.450 ( 1.837 -2.324 -1.237) 3.210 7.450 ( 1.837 2.324 -1.237) 3.210 7.880 ( -4.847 -2.655 8.075) 9.785 7.880 ( -4.847 2.655 8.075) 9.785 7.993 ( 1.690 -2.624 -11.847) 12.251 7.993 ( 1.690 2.624 -11.847) 12.251 8.249 ( -6.415 -1.140 -2.470) 6.968 8.249 ( -6.415 1.140 -2.470) 6.968 8.301 ( 0.267 -3.893 -2.419) 4.591 8.301 ( 0.267 3.893 -2.419) 4.591 8.424 ( 4.800 -5.405 -0.293) 7.235 8.424 ( 4.800 5.405 -0.293) 7.235 8.686 ( 11.022 -4.089 -2.154) 11.952 8.686 ( 11.022 4.089 -2.154) 11.952 8.961 ( 2.173 -2.275 -2.926) 4.297 8.961 ( 2.173 2.275 -2.926) 4.297 9.022 ( 0.110 -12.770 2.917) 13.100 9.022 ( 0.110 12.770 2.917) 13.100 9.252 ( 5.070 -6.064 8.605) 11.685 9.252 ( 5.070 6.064 8.605) 11.685 9.439 ( -2.440 -4.604 3.849) 6.478 9.439 ( -2.440 4.604 3.849) 6.478 9.639 ( 4.243 -4.295 4.137) 7.319 9.639 ( 4.243 4.295 4.137) 7.319 9.840 ( -0.819 -16.306 -2.174) 16.471 9.840 ( -0.819 16.306 -2.174) 16.471 10.046 ( -4.803 -10.795 12.474) 17.181 10.046 ( -4.803 10.795 12.474) 17.181 10.325 ( 2.518 -14.806 8.870) 17.442 10.325 ( 2.518 14.806 8.870) 17.442 10.791 ( 2.640 -12.753 5.303) 14.062 10.791 ( 2.640 12.753 5.303) 14.062 11.164 ( -2.317 -4.155 -5.286) 7.111 11.164 ( -2.317 4.155 -5.286) 7.111 11.415 ( 1.808 -0.929 -0.821) 2.192 11.415 ( 1.808 0.929 -0.821) 2.192 11.551 ( -4.535 -2.976 1.315) 5.582 11.551 ( -4.535 2.976 1.315) 5.582 11.864 ( 1.276 -7.640 7.002) 10.441 11.864 ( 1.276 7.640 7.002) 10.441 12.258 ( 0.039 -0.798 -1.501) 1.700 12.258 ( 0.039 0.798 -1.501) 1.700 12.582 ( 1.297 -1.570 2.709) 3.389 12.582 ( 1.297 1.570 2.709) 3.389 12.952 ( 3.391 -2.784 -1.656) 4.689 12.952 ( 3.391 2.784 -1.656) 4.689 13.444 ( 0.790 -4.591 4.408) 6.413 13.444 ( 0.790 4.591 4.408) 6.413 13.864 ( -1.017 -14.258 3.933) 14.825 13.864 ( -1.017 14.258 3.933) 14.825 13.928 ( 4.657 -6.926 -0.112) 8.347 13.928 ( 4.657 6.926 -0.112) 8.347 14.675 ( -7.746 -12.728 -5.111) 15.752 14.675 ( -7.746 12.728 -5.111) 15.752 15.456 ( 7.926 -1.393 2.163) 8.333 15.456 ( 7.926 1.393 2.163) 8.333 16.233 ( -8.562 -10.993 -12.538) 18.745 16.233 ( -8.562 10.993 -12.538) 18.745 ======================= Grid point 67 (36/111) ======================= q-point: ( 0.22 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 9.452 -3.264 17.971) 20.566 1.293 ( 9.452 3.264 17.971) 20.566 1.370 ( 14.253 -13.644 7.739) 21.195 1.370 ( 14.253 13.644 7.739) 21.195 1.976 ( 5.047 -4.694 0.732) 6.931 1.976 ( 5.047 4.694 0.732) 6.931 2.168 ( -0.569 -1.282 2.990) 3.303 2.168 ( -0.569 1.282 2.990) 3.303 2.262 ( -3.154 -0.911 3.654) 4.912 2.262 ( -3.154 0.911 3.654) 4.912 2.359 ( -2.405 -0.572 6.235) 6.707 2.359 ( -2.405 0.572 6.235) 6.707 2.512 ( -5.266 -2.448 0.493) 5.828 2.512 ( -5.266 2.448 0.493) 5.828 2.740 ( 5.239 -1.824 1.841) 5.845 2.740 ( 5.239 1.824 1.841) 5.845 2.852 ( 0.857 -4.125 -2.744) 5.028 2.852 ( 0.857 4.125 -2.744) 5.028 3.018 ( -1.822 -3.224 -2.633) 4.545 3.018 ( -1.822 3.224 -2.633) 4.545 3.227 ( -4.587 -3.807 5.259) 7.950 3.227 ( -4.587 3.807 5.259) 7.950 3.435 ( -3.918 -1.073 15.738) 16.254 3.435 ( -3.918 1.073 15.738) 16.254 3.646 ( 1.839 -2.220 7.176) 7.734 3.646 ( 1.839 2.220 7.176) 7.734 3.906 ( -3.055 -5.329 -0.019) 6.143 3.906 ( -3.055 5.329 -0.019) 6.143 4.193 ( -1.128 -3.069 3.409) 4.723 4.193 ( -1.128 3.069 3.409) 4.723 4.667 ( -2.099 -6.000 -6.269) 8.928 4.667 ( -2.099 6.000 -6.269) 8.928 5.214 ( -0.186 -10.683 1.665) 10.814 5.214 ( -0.186 10.683 1.665) 10.814 5.678 ( 0.692 -4.713 2.599) 5.426 5.678 ( 0.692 4.713 2.599) 5.426 5.749 ( 3.281 -2.091 -2.829) 4.811 5.749 ( 3.281 2.091 -2.829) 4.811 6.007 ( -0.807 -3.240 -1.256) 3.567 6.007 ( -0.807 3.240 -1.256) 3.567 6.211 ( 0.096 -2.730 -0.419) 2.763 6.211 ( 0.096 2.730 -0.419) 2.763 6.578 ( -3.985 -3.280 -0.165) 5.164 6.578 ( -3.985 3.280 -0.165) 5.164 6.815 ( -3.008 -4.292 3.489) 6.296 6.815 ( -3.008 4.292 3.489) 6.296 6.959 ( 5.417 -1.158 -4.604) 7.203 6.959 ( 5.417 1.158 -4.604) 7.203 7.334 ( -3.601 -4.197 2.439) 6.044 7.334 ( -3.601 4.197 2.439) 6.044 7.461 ( -1.441 -1.384 -3.201) 3.774 7.461 ( -1.441 1.384 -3.201) 3.774 7.776 ( -3.867 -2.917 -1.118) 4.971 7.776 ( -3.867 2.917 -1.118) 4.971 7.918 ( -1.779 -6.495 -6.655) 9.468 7.918 ( -1.779 6.495 -6.655) 9.468 8.146 ( -3.340 -0.671 0.456) 3.437 8.146 ( -3.340 0.671 0.456) 3.437 8.272 ( -0.217 -6.999 -2.877) 7.571 8.272 ( -0.217 6.999 -2.877) 7.571 8.490 ( 3.211 -8.296 -3.434) 9.535 8.490 ( 3.211 8.296 -3.434) 9.535 8.916 ( 6.236 -1.241 -3.541) 7.277 8.916 ( 6.236 1.241 -3.541) 7.277 9.009 ( 1.981 -7.458 1.824) 7.929 9.009 ( 1.981 7.458 1.824) 7.929 9.057 ( 3.219 -3.748 3.077) 5.821 9.057 ( 3.219 3.748 3.077) 5.821 9.273 ( -3.974 -4.851 5.734) 8.498 9.273 ( -3.974 4.851 5.734) 8.498 9.564 ( 11.154 -7.067 1.662) 13.309 9.564 ( 11.154 7.067 1.662) 13.309 9.711 ( 1.667 -0.932 0.305) 1.934 9.711 ( 1.667 0.932 0.305) 1.934 9.833 ( -0.650 -11.869 5.017) 12.902 9.833 ( -0.650 11.869 5.017) 12.902 9.995 ( -3.005 -8.409 3.868) 9.731 9.995 ( -3.005 8.409 3.868) 9.731 10.374 ( -0.816 -5.589 3.081) 6.434 10.374 ( -0.816 5.589 3.081) 6.434 10.887 ( 1.101 -12.001 10.072) 15.706 10.887 ( 1.101 12.001 10.072) 15.706 11.066 ( -3.929 -5.606 -4.133) 7.997 11.066 ( -3.929 5.606 -4.133) 7.997 11.392 ( -4.483 -0.928 1.889) 4.953 11.392 ( -4.483 0.928 1.889) 4.953 11.530 ( 2.725 -1.909 -1.873) 3.818 11.530 ( 2.725 1.909 -1.873) 3.818 11.944 ( 3.061 -6.199 4.272) 8.127 11.944 ( 3.061 6.199 4.272) 8.127 12.258 ( 0.294 -2.952 -0.862) 3.090 12.258 ( 0.294 2.952 -0.862) 3.090 12.599 ( -0.377 -1.972 0.647) 2.109 12.599 ( -0.377 1.972 0.647) 2.109 13.029 ( 5.205 -3.865 -1.430) 6.639 13.029 ( 5.205 3.865 -1.430) 6.639 13.460 ( -1.898 -4.400 4.183) 6.361 13.460 ( -1.898 4.400 4.183) 6.361 13.859 ( -1.714 -15.422 4.219) 16.080 13.859 ( -1.714 15.422 4.219) 16.080 14.027 ( 5.644 -7.359 -1.163) 9.347 14.027 ( 5.644 7.359 -1.163) 9.347 14.525 ( -5.374 -11.655 -3.373) 13.270 14.525 ( -5.374 11.655 -3.373) 13.270 15.582 ( 4.162 -3.032 -0.141) 5.151 15.582 ( 4.162 3.032 -0.141) 5.151 16.014 ( -6.935 -8.980 -8.040) 13.906 16.014 ( -6.935 8.980 -8.040) 13.906 ======================= Grid point 69 (37/111) ======================= q-point: ( 0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 10.121 -1.056 13.829) 17.169 1.576 ( 10.121 1.056 13.829) 17.169 1.671 ( 12.363 -9.706 4.495) 16.348 1.671 ( 12.363 9.706 4.495) 16.348 2.079 ( 1.814 -0.434 2.728) 3.305 2.079 ( 1.814 0.434 2.728) 3.305 2.143 ( -1.453 -0.200 2.764) 3.129 2.143 ( -1.453 0.200 2.764) 3.129 2.228 ( -1.801 -2.450 2.550) 3.968 2.228 ( -1.801 2.450 2.550) 3.968 2.334 ( -2.413 -2.117 4.267) 5.340 2.334 ( -2.413 2.117 4.267) 5.340 2.397 ( -6.153 -4.424 1.899) 7.813 2.397 ( -6.153 4.424 1.899) 7.813 2.789 ( -1.373 -3.181 -1.812) 3.910 2.789 ( -1.373 3.181 -1.812) 3.910 2.862 ( 0.115 -3.910 -1.861) 4.331 2.862 ( 0.115 3.910 -1.861) 4.331 2.965 ( -0.953 -3.431 -2.897) 4.590 2.965 ( -0.953 3.431 -2.897) 4.590 3.169 ( -3.852 -1.285 5.655) 6.962 3.169 ( -3.852 1.285 5.655) 6.962 3.474 ( -0.987 -1.390 14.988) 15.085 3.474 ( -0.987 1.390 14.988) 15.085 3.671 ( -3.637 -6.163 4.217) 8.306 3.671 ( -3.637 6.163 4.217) 8.306 3.890 ( -0.135 -2.321 2.435) 3.367 3.890 ( -0.135 2.321 2.435) 3.367 4.216 ( 0.417 -2.470 6.190) 6.677 4.216 ( 0.417 2.470 6.190) 6.677 4.622 ( 1.590 -7.611 -5.587) 9.574 4.622 ( 1.590 7.611 -5.587) 9.574 5.232 ( 1.670 -10.811 0.543) 10.953 5.232 ( 1.670 10.811 0.543) 10.953 5.685 ( -0.794 -6.968 0.016) 7.013 5.685 ( -0.794 6.968 0.016) 7.013 5.782 ( 0.959 -1.533 -0.246) 1.825 5.782 ( 0.959 1.533 -0.246) 1.825 5.982 ( -1.259 -2.644 -2.371) 3.768 5.982 ( -1.259 2.644 -2.371) 3.768 6.187 ( -2.564 -1.720 0.349) 3.107 6.187 ( -2.564 1.720 0.349) 3.107 6.545 ( -0.039 -2.334 3.339) 4.074 6.545 ( -0.039 2.334 3.339) 4.074 6.764 ( -3.381 -2.883 1.262) 4.620 6.764 ( -3.381 2.883 1.262) 4.620 7.039 ( 3.883 -3.555 -4.092) 6.668 7.039 ( 3.883 3.555 -4.092) 6.668 7.243 ( -4.960 -3.345 1.420) 6.148 7.243 ( -4.960 3.345 1.420) 6.148 7.376 ( -3.332 -3.601 -3.239) 5.879 7.376 ( -3.332 3.601 -3.239) 5.879 7.749 ( 1.369 -4.067 -1.227) 4.463 7.749 ( 1.369 4.067 -1.227) 4.463 7.912 ( 2.633 -11.322 -2.912) 11.984 7.912 ( 2.633 11.322 -2.912) 11.984 8.098 ( -2.558 -1.951 1.615) 3.600 8.098 ( -2.558 1.951 1.615) 3.600 8.292 ( 4.728 -6.222 -4.892) 9.219 8.292 ( 4.728 6.222 -4.892) 9.219 8.518 ( 1.397 -6.359 -1.767) 6.746 8.518 ( 1.397 6.359 -1.767) 6.746 8.913 ( -3.495 -3.310 -1.642) 5.086 8.913 ( -3.495 3.310 -1.642) 5.086 9.033 ( 1.272 -3.245 2.394) 4.228 9.033 ( 1.272 3.245 2.394) 4.228 9.069 ( -2.875 -3.587 -0.726) 4.654 9.069 ( -2.875 3.587 -0.726) 4.654 9.272 ( -1.346 -6.795 7.119) 9.933 9.272 ( -1.346 6.795 7.119) 9.933 9.648 ( -1.186 -10.372 -5.703) 11.896 9.648 ( -1.186 10.372 -5.703) 11.896 9.799 ( 3.759 -5.347 3.715) 7.518 9.799 ( 3.759 5.347 3.715) 7.518 9.899 ( 6.259 -3.976 3.082) 8.030 9.899 ( 6.259 3.976 3.082) 8.030 10.025 ( 4.174 -9.628 2.181) 10.718 10.025 ( 4.174 9.628 2.181) 10.718 10.333 ( -5.485 -4.075 4.096) 7.967 10.333 ( -5.485 4.075 4.096) 7.967 10.889 ( -3.858 -16.235 0.972) 16.715 10.889 ( -3.858 16.235 0.972) 16.715 11.023 ( 0.168 -3.717 0.653) 3.777 11.023 ( 0.168 3.717 0.653) 3.777 11.318 ( -3.412 -0.530 0.668) 3.517 11.318 ( -3.412 0.530 0.668) 3.517 11.593 ( 3.915 -6.032 -0.668) 7.222 11.593 ( 3.915 6.032 -0.668) 7.222 12.012 ( 1.736 -5.402 3.006) 6.421 12.012 ( 1.736 5.402 3.006) 6.421 12.255 ( -0.510 -3.301 1.036) 3.497 12.255 ( -0.510 3.301 1.036) 3.497 12.591 ( -0.149 -2.566 -0.580) 2.634 12.591 ( -0.149 2.566 -0.580) 2.634 13.112 ( 3.916 -4.546 -1.672) 6.229 13.112 ( 3.916 4.546 -1.672) 6.229 13.420 ( -3.915 -2.382 2.528) 5.233 13.420 ( -3.915 2.382 2.528) 5.233 13.853 ( -1.309 -15.125 3.748) 15.637 13.853 ( -1.309 15.125 3.748) 15.637 14.115 ( 4.331 -7.473 -2.691) 9.047 14.115 ( 4.331 7.473 -2.691) 9.047 14.431 ( -2.929 -11.207 -2.043) 11.762 14.431 ( -2.929 11.207 -2.043) 11.762 15.605 ( -0.535 -6.673 -2.362) 7.099 15.605 ( -0.535 6.673 -2.362) 7.099 15.905 ( -1.078 -3.177 -4.301) 5.455 15.905 ( -1.078 3.177 -4.301) 5.455 ======================= Grid point 71 (38/111) ======================= q-point: ( 0.44 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 4.232 -0.668 8.420) 9.448 1.802 ( 4.232 0.668 8.420) 9.448 1.872 ( 5.654 -3.875 3.742) 7.809 1.872 ( 5.654 3.875 3.742) 7.809 1.996 ( -6.146 -2.399 3.361) 7.405 1.996 ( -6.146 2.399 3.361) 7.405 2.117 ( -5.703 -7.246 0.820) 9.258 2.117 ( -5.703 7.246 0.820) 9.258 2.212 ( -0.075 -1.708 3.844) 4.207 2.212 ( -0.075 1.708 3.844) 4.207 2.324 ( -2.583 -1.603 1.436) 3.362 2.324 ( -2.583 1.603 1.436) 3.362 2.415 ( 3.699 -2.353 3.958) 5.907 2.415 ( 3.699 2.353 3.958) 5.907 2.695 ( -2.858 -2.335 -2.509) 4.463 2.695 ( -2.858 2.335 -2.509) 4.463 2.839 ( -0.882 -4.766 -1.463) 5.063 2.839 ( -0.882 4.766 -1.463) 5.063 2.959 ( 0.950 -3.783 -1.888) 4.334 2.959 ( 0.950 3.783 -1.888) 4.334 3.155 ( -1.160 -2.072 5.405) 5.903 3.155 ( -1.160 2.072 5.405) 5.903 3.525 ( -4.671 -0.695 14.257) 15.019 3.525 ( -4.671 0.695 14.257) 15.019 3.622 ( -0.703 -6.480 4.017) 7.656 3.622 ( -0.703 6.480 4.017) 7.656 3.893 ( -1.249 -3.411 3.116) 4.786 3.893 ( -1.249 3.411 3.116) 4.786 4.223 ( -3.774 -5.577 2.948) 7.351 4.223 ( -3.774 5.577 2.948) 7.351 4.663 ( 4.825 -7.729 -3.530) 9.772 4.663 ( 4.825 7.729 -3.530) 9.772 5.265 ( 0.772 -8.413 -3.129) 9.009 5.265 ( 0.772 8.413 -3.129) 9.009 5.656 ( -1.373 -6.794 -0.112) 6.932 5.656 ( -1.373 6.794 -0.112) 6.932 5.787 ( -0.810 -6.005 2.988) 6.756 5.787 ( -0.810 6.005 2.988) 6.756 5.920 ( -1.781 -0.246 -6.092) 6.352 5.920 ( -1.781 0.246 -6.092) 6.352 6.167 ( 0.109 -1.571 2.802) 3.215 6.167 ( 0.109 1.571 2.802) 3.215 6.577 ( -0.541 -1.950 5.073) 5.461 6.577 ( -0.541 1.950 5.073) 5.461 6.720 ( -0.642 -2.167 -0.573) 2.332 6.720 ( -0.642 2.167 -0.573) 2.332 7.024 ( -1.240 -5.614 -1.834) 6.035 7.024 ( -1.240 5.614 -1.834) 6.035 7.221 ( -0.838 -2.513 2.822) 3.870 7.221 ( -0.838 2.513 2.822) 3.870 7.363 ( 3.511 -5.095 0.515) 6.209 7.363 ( 3.511 5.095 0.515) 6.209 7.791 ( 2.349 -5.072 -0.209) 5.593 7.791 ( 2.349 5.072 -0.209) 5.593 7.923 ( 0.180 -6.219 -3.512) 7.145 7.923 ( 0.180 6.219 -3.512) 7.145 8.082 ( 0.404 -3.414 0.822) 3.535 8.082 ( 0.404 3.414 0.822) 3.535 8.386 ( 7.368 -3.888 -4.360) 9.403 8.386 ( 7.368 3.888 -4.360) 9.403 8.533 ( 1.128 -2.582 -0.562) 2.873 8.533 ( 1.128 2.582 -0.562) 2.873 8.812 ( -5.622 -4.068 0.916) 7.000 8.812 ( -5.622 4.068 0.916) 7.000 9.010 ( -1.925 -2.825 -1.441) 3.710 9.010 ( -1.925 2.825 -1.441) 3.710 9.088 ( 3.267 -1.668 -0.188) 3.673 9.088 ( 3.267 1.668 -0.188) 3.673 9.260 ( -4.777 -8.733 8.049) 12.801 9.260 ( -4.777 8.733 8.049) 12.801 9.598 ( 0.736 -9.827 -4.734) 10.933 9.598 ( 0.736 9.827 -4.734) 10.933 9.843 ( -0.526 -2.783 2.536) 3.802 9.843 ( -0.526 2.783 2.536) 3.802 9.980 ( 1.427 -12.201 -0.647) 12.301 9.980 ( 1.427 12.201 -0.647) 12.301 10.155 ( 3.593 -2.192 4.513) 6.171 10.155 ( 3.593 2.192 4.513) 6.171 10.223 ( -6.266 -3.965 2.041) 7.690 10.223 ( -6.266 3.965 2.041) 7.690 10.801 ( -3.292 -11.500 -5.752) 13.273 10.801 ( -3.292 11.500 -5.752) 13.273 11.036 ( 0.264 -6.115 1.207) 6.238 11.036 ( 0.264 6.115 1.207) 6.238 11.270 ( -1.357 -1.825 -1.204) 2.573 11.270 ( -1.357 1.825 -1.204) 2.573 11.652 ( 2.053 -6.673 -0.415) 6.994 11.652 ( 2.053 6.673 -0.415) 6.994 12.037 ( -1.296 -5.034 3.696) 6.378 12.037 ( -1.296 5.034 3.696) 6.378 12.274 ( 1.942 -2.481 3.422) 4.652 12.274 ( 1.942 2.481 3.422) 4.652 12.593 ( 0.650 -2.241 -0.340) 2.358 12.593 ( 0.650 2.241 -0.340) 2.358 13.145 ( 0.340 -5.402 -1.482) 5.612 13.145 ( 0.340 5.402 -1.482) 5.612 13.358 ( -2.810 -1.228 -0.438) 3.098 13.358 ( -2.810 1.228 -0.438) 3.098 13.851 ( -1.035 -13.666 3.473) 14.138 13.851 ( -1.035 13.666 3.473) 14.138 14.153 ( 1.663 -7.022 -4.439) 8.473 14.153 ( 1.663 7.022 -4.439) 8.473 14.390 ( -0.367 -11.502 -1.039) 11.555 14.390 ( -0.367 11.502 -1.039) 11.555 15.577 ( -0.053 -7.596 -2.415) 7.971 15.577 ( -0.053 7.596 -2.415) 7.971 15.887 ( 0.669 -0.636 -3.536) 3.654 15.887 ( 0.669 0.636 -3.536) 3.654 ======================= Grid point 73 (39/111) ======================= q-point: (-0.44 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -13.841 -0.218 5.324) 14.832 1.698 ( -13.841 0.218 5.324) 14.832 1.834 ( -10.946 -8.473 -1.022) 13.880 1.834 ( -10.946 8.473 -1.022) 13.880 2.014 ( 3.700 -0.542 6.757) 7.722 2.014 ( 3.700 0.542 6.757) 7.722 2.150 ( 4.524 -3.281 0.939) 5.667 2.150 ( 4.524 3.281 0.939) 5.667 2.221 ( -2.713 -0.710 4.851) 5.603 2.221 ( -2.713 0.710 4.851) 5.603 2.305 ( -1.432 -1.595 0.770) 2.277 2.305 ( -1.432 1.595 0.770) 2.277 2.357 ( -3.173 -3.541 1.783) 5.078 2.357 ( -3.173 3.541 1.783) 5.078 2.771 ( 4.834 -3.962 1.074) 6.342 2.771 ( 4.834 3.962 1.074) 6.342 2.811 ( 0.543 -5.294 -3.750) 6.510 2.811 ( 0.543 5.294 -3.750) 6.510 2.978 ( 2.489 -3.727 -1.170) 4.632 2.978 ( 2.489 3.727 -1.170) 4.632 3.171 ( -1.200 -3.725 6.093) 7.241 3.171 ( -1.200 3.725 6.093) 7.241 3.484 ( -6.693 -1.065 15.772) 17.167 3.484 ( -6.693 1.065 15.772) 17.167 3.683 ( 3.034 -3.837 4.180) 6.435 3.683 ( 3.034 3.837 4.180) 6.435 3.879 ( -2.214 -3.723 1.089) 4.466 3.879 ( -2.214 3.723 1.089) 4.466 4.104 ( -7.493 -6.252 -1.245) 9.838 4.104 ( -7.493 6.252 -1.245) 9.838 4.743 ( 4.388 -7.173 -0.072) 8.409 4.743 ( 4.388 7.173 -0.072) 8.409 5.184 ( -5.176 -8.805 -5.578) 11.637 5.184 ( -5.176 8.805 -5.578) 11.637 5.661 ( 0.253 -2.578 0.252) 2.603 5.661 ( 0.253 2.578 0.252) 2.603 5.796 ( 0.308 -4.382 1.109) 4.531 5.796 ( 0.308 4.382 1.109) 4.531 5.885 ( 2.677 -2.491 -4.594) 5.872 5.885 ( 2.677 2.491 -4.594) 5.872 6.213 ( 2.296 -2.165 3.224) 4.511 6.213 ( 2.296 2.165 3.224) 4.511 6.568 ( -2.410 -0.408 4.992) 5.558 6.568 ( -2.410 0.408 4.992) 5.558 6.729 ( 0.667 -2.352 0.196) 2.452 6.729 ( 0.667 2.352 0.196) 2.452 7.039 ( 3.629 -4.809 -1.622) 6.239 7.039 ( 3.629 4.809 -1.622) 6.239 7.216 ( -1.165 -2.261 2.729) 3.731 7.216 ( -1.165 2.261 2.729) 3.731 7.451 ( 2.769 -5.687 2.998) 6.999 7.451 ( 2.769 5.687 2.998) 6.999 7.821 ( 1.115 -4.775 1.680) 5.183 7.821 ( 1.115 4.775 1.680) 5.183 7.911 ( 1.269 -2.010 -3.809) 4.489 7.911 ( 1.269 2.010 -3.809) 4.489 8.105 ( 0.764 -2.124 1.498) 2.709 8.105 ( 0.764 2.124 1.498) 2.709 8.494 ( 2.426 -2.268 2.096) 3.927 8.494 ( 2.426 2.268 2.096) 3.927 8.565 ( 4.591 -4.043 -3.888) 7.249 8.565 ( 4.591 4.043 -3.888) 7.249 8.754 ( -0.206 -3.491 2.028) 4.043 8.754 ( -0.206 3.491 2.028) 4.043 8.981 ( -0.463 -2.490 -1.181) 2.795 8.981 ( -0.463 2.490 -1.181) 2.795 9.127 ( 0.199 -1.229 -2.017) 2.371 9.127 ( 0.199 1.229 -2.017) 2.371 9.207 ( -3.072 -11.655 6.123) 13.519 9.207 ( -3.072 11.655 6.123) 13.519 9.621 ( 2.257 -10.833 -1.950) 11.236 9.621 ( 2.257 10.833 -1.950) 11.236 9.811 ( -3.769 -1.617 0.130) 4.104 9.811 ( -3.769 1.617 0.130) 4.104 9.923 ( -8.110 -4.378 -0.503) 9.230 9.923 ( -8.110 4.378 -0.503) 9.230 10.114 ( -1.368 -2.520 0.527) 2.916 10.114 ( -1.368 2.520 0.527) 2.916 10.236 ( 1.082 -4.140 2.710) 5.065 10.236 ( 1.082 4.140 2.710) 5.065 10.703 ( -3.078 -3.302 -8.460) 9.589 10.703 ( -3.078 3.302 -8.460) 9.589 11.043 ( 0.254 -4.139 0.255) 4.155 11.043 ( 0.254 4.139 0.255) 4.155 11.266 ( 1.836 -6.192 -0.622) 6.488 11.266 ( 1.836 6.192 -0.622) 6.488 11.657 ( -1.087 -7.548 -0.703) 7.658 11.657 ( -1.087 7.548 -0.703) 7.658 12.015 ( -2.771 -6.338 3.581) 7.789 12.015 ( -2.771 6.338 3.581) 7.789 12.354 ( 2.791 -5.119 5.704) 8.156 12.354 ( 2.791 5.119 5.704) 8.156 12.609 ( 0.826 -2.391 0.725) 2.632 12.609 ( 0.826 2.391 0.725) 2.632 13.117 ( -1.810 -3.444 -2.264) 4.501 13.117 ( -1.810 3.444 -2.264) 4.501 13.309 ( -1.441 -4.954 -2.884) 5.911 13.309 ( -1.441 4.954 -2.884) 5.911 13.850 ( -1.221 -11.900 3.361) 12.425 13.850 ( -1.221 11.900 3.361) 12.425 14.128 ( -1.181 -7.068 -5.631) 9.114 14.128 ( -1.181 7.068 -5.631) 9.114 14.408 ( 2.658 -11.456 -0.129) 11.761 14.408 ( 2.658 11.456 -0.129) 11.761 15.583 ( 1.656 -6.308 -2.279) 6.908 15.583 ( 1.656 6.308 -2.279) 6.908 15.884 ( 1.545 -1.092 -3.656) 4.117 15.884 ( 1.545 1.092 -3.656) 4.117 ======================= Grid point 75 (40/111) ======================= q-point: (-0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -17.533 -2.274 6.998) 19.015 1.425 ( -17.533 2.274 6.998) 19.015 1.581 ( -15.627 -11.721 1.154) 19.569 1.581 ( -15.627 11.721 1.154) 19.569 2.053 ( -1.950 -3.196 1.176) 3.924 2.053 ( -1.950 3.196 1.176) 3.924 2.154 ( -1.993 -1.061 4.112) 4.691 2.154 ( -1.993 1.061 4.112) 4.691 2.224 ( -1.032 -1.036 5.626) 5.813 2.224 ( -1.032 1.036 5.626) 5.813 2.302 ( 2.469 -0.893 1.076) 2.838 2.302 ( 2.469 0.893 1.076) 2.838 2.424 ( 4.226 -4.499 2.111) 6.524 2.424 ( 4.226 4.499 2.111) 6.524 2.746 ( -2.279 -4.716 -3.185) 6.130 2.746 ( -2.279 4.716 -3.185) 6.130 2.854 ( 2.055 -4.445 -2.742) 5.612 2.854 ( 2.055 4.445 -2.742) 5.612 3.041 ( 3.770 -2.818 -1.960) 5.098 3.041 ( 3.770 2.818 -1.960) 5.098 3.164 ( -3.289 -3.618 7.935) 9.320 3.164 ( -3.289 3.618 7.935) 9.320 3.456 ( -6.831 -1.508 18.912) 20.165 3.456 ( -6.831 1.508 18.912) 20.165 3.689 ( -9.336 -7.349 -0.692) 11.902 3.689 ( -9.336 7.349 -0.692) 11.902 3.831 ( 4.350 -5.542 -0.353) 7.054 3.831 ( 4.350 5.542 -0.353) 7.054 4.055 ( 3.050 -3.264 0.318) 4.479 4.055 ( 3.050 3.264 0.318) 4.479 4.825 ( 3.013 -7.049 2.948) 8.213 4.825 ( 3.013 7.049 2.948) 8.213 5.077 ( -1.852 -8.444 -5.576) 10.287 5.077 ( -1.852 8.444 -5.576) 10.287 5.634 ( -2.272 -3.713 -0.227) 4.358 5.634 ( -2.272 3.713 -0.227) 4.358 5.779 ( -0.942 -3.060 -3.012) 4.395 5.779 ( -0.942 3.060 -3.012) 4.395 5.996 ( 8.514 -1.532 -0.848) 8.692 5.996 ( 8.514 1.532 -0.848) 8.692 6.245 ( -1.473 -2.813 1.897) 3.699 6.245 ( -1.473 2.813 1.897) 3.699 6.580 ( 1.072 -3.769 5.704) 6.920 6.580 ( 1.072 3.769 5.704) 6.920 6.737 ( 0.089 -1.627 0.764) 1.800 6.737 ( 0.089 1.627 0.764) 1.800 7.076 ( 0.018 -5.899 -3.986) 7.120 7.076 ( 0.018 5.899 -3.986) 7.120 7.219 ( 0.324 -3.278 2.215) 3.970 7.219 ( 0.324 3.278 2.215) 3.970 7.493 ( 0.971 -3.008 1.478) 3.489 7.493 ( 0.971 3.008 1.478) 3.489 7.809 ( -3.730 -8.280 -0.526) 9.096 7.809 ( -3.730 8.280 -0.526) 9.096 7.984 ( 7.245 -1.143 0.686) 7.366 7.984 ( 7.245 1.143 0.686) 7.366 8.130 ( 1.168 -1.887 2.826) 3.593 8.130 ( 1.168 1.887 2.826) 3.593 8.479 ( -4.147 -0.852 3.987) 5.816 8.479 ( -4.147 0.852 3.987) 5.816 8.641 ( 3.031 -3.028 -1.292) 4.475 8.641 ( 3.031 3.028 -1.292) 4.475 8.824 ( 5.012 -4.778 -1.390) 7.063 8.824 ( 5.012 4.778 -1.390) 7.063 8.988 ( 1.130 -1.855 3.463) 4.088 8.988 ( 1.130 1.855 3.463) 4.088 9.092 ( -0.478 -0.315 -3.337) 3.385 9.092 ( -0.478 0.315 -3.337) 3.385 9.207 ( -1.538 -8.443 2.443) 8.922 9.207 ( -1.538 8.443 2.443) 8.922 9.595 ( -5.783 -11.507 0.270) 12.881 9.595 ( -5.783 11.507 0.270) 12.881 9.683 ( -6.781 -5.015 -4.088) 9.372 9.683 ( -6.781 5.015 -4.088) 9.372 9.784 ( -4.529 -4.657 -0.162) 6.498 9.784 ( -4.529 4.657 -0.162) 6.498 10.087 ( -3.276 -11.898 3.654) 12.870 10.087 ( -3.276 11.898 3.654) 12.870 10.314 ( 5.828 -20.741 -1.121) 21.573 10.314 ( 5.828 20.741 -1.121) 21.573 10.589 ( -3.424 -9.347 -6.073) 11.661 10.589 ( -3.424 9.347 -6.073) 11.661 11.060 ( 1.901 -1.233 -0.800) 2.403 11.060 ( 1.901 1.233 -0.800) 2.403 11.335 ( 4.900 -9.787 1.336) 11.026 11.335 ( 4.900 9.787 1.336) 11.026 11.611 ( -3.194 -7.868 -0.758) 8.525 11.611 ( -3.194 7.868 -0.758) 8.525 11.973 ( -4.030 -6.841 3.794) 8.800 11.973 ( -4.030 6.841 3.794) 8.800 12.422 ( 0.524 -5.417 6.068) 8.151 12.422 ( 0.524 5.417 6.068) 8.151 12.621 ( -0.727 -2.426 1.446) 2.916 12.621 ( -0.727 2.426 1.446) 2.916 13.054 ( -3.017 -1.569 -3.655) 4.993 13.054 ( -3.017 1.569 -3.655) 4.993 13.276 ( 0.203 -7.231 -3.668) 8.111 13.276 ( 0.203 7.231 -3.668) 8.111 13.843 ( -1.248 -10.713 3.006) 11.197 13.843 ( -1.248 10.713 3.006) 11.197 14.051 ( -3.266 -7.345 -5.749) 9.882 14.051 ( -3.266 7.345 -5.749) 9.882 14.491 ( 5.782 -12.009 1.073) 13.372 14.491 ( 5.782 12.009 1.073) 13.372 15.578 ( -1.417 -2.270 -3.851) 4.689 15.578 ( -1.417 2.270 -3.851) 4.689 15.939 ( 7.104 -7.040 -3.006) 10.444 15.939 ( 7.104 7.040 -3.006) 10.444 ======================= Grid point 77 (41/111) ======================= q-point: (-0.22 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -16.120 -6.756 9.626) 19.954 1.142 ( -16.120 6.756 9.626) 19.954 1.277 ( -17.283 -12.782 7.182) 22.664 1.277 ( -17.283 12.782 7.182) 22.664 1.962 ( -9.104 -2.447 -0.982) 9.478 1.962 ( -9.104 2.447 -0.982) 9.478 2.155 ( -0.639 -2.329 3.289) 4.081 2.155 ( -0.639 2.329 3.289) 4.081 2.234 ( -0.966 -1.934 6.238) 6.602 2.234 ( -0.966 1.934 6.238) 6.602 2.359 ( 1.131 -0.411 3.441) 3.645 2.359 ( 1.131 0.411 3.441) 3.645 2.494 ( 2.735 -1.678 -0.037) 3.209 2.494 ( 2.735 1.678 -0.037) 3.209 2.694 ( -1.071 -5.372 -1.382) 5.649 2.694 ( -1.071 5.372 -1.382) 5.649 2.860 ( 0.583 -5.548 -2.553) 6.135 2.860 ( 0.583 5.548 -2.553) 6.135 3.061 ( -0.208 -2.275 -1.692) 2.843 3.061 ( -0.208 2.275 -1.692) 2.843 3.168 ( -0.310 -3.550 6.116) 7.078 3.168 ( -0.310 3.550 6.116) 7.078 3.425 ( -6.689 -2.433 15.186) 16.771 3.425 ( -6.689 2.433 15.186) 16.771 3.530 ( -4.299 -8.228 2.395) 9.588 3.530 ( -4.299 8.228 2.395) 9.588 3.969 ( 8.174 -6.625 1.482) 10.626 3.969 ( 8.174 6.625 1.482) 10.626 4.153 ( 5.877 -3.073 0.596) 6.659 4.153 ( 5.877 3.073 0.596) 6.659 4.864 ( -1.327 -5.319 2.111) 5.875 4.864 ( -1.327 5.319 2.111) 5.875 5.060 ( 3.216 -7.066 -5.767) 9.671 5.060 ( 3.216 7.066 -5.767) 9.671 5.593 ( -1.758 -4.518 0.359) 4.861 5.593 ( -1.758 4.518 0.359) 4.861 5.750 ( -0.178 -4.071 -2.591) 4.829 5.750 ( -0.178 4.071 -2.591) 4.829 6.135 ( 4.313 -1.659 0.487) 4.646 6.135 ( 4.313 1.659 0.487) 4.646 6.193 ( -2.500 -3.890 0.171) 4.628 6.193 ( -2.500 3.890 0.171) 4.628 6.653 ( 2.552 -5.707 3.149) 7.000 6.653 ( 2.552 5.707 3.149) 7.000 6.751 ( 0.940 -1.867 2.896) 3.572 6.751 ( 0.940 1.867 2.896) 3.572 7.002 ( -4.203 -5.346 -4.116) 7.949 7.002 ( -4.203 5.346 -4.116) 7.949 7.249 ( 1.474 -4.108 2.280) 4.924 7.249 ( 1.474 4.108 2.280) 4.924 7.488 ( -2.883 -3.675 0.317) 4.682 7.488 ( -2.883 3.675 0.317) 4.682 7.706 ( -6.016 -6.058 -0.938) 8.589 7.706 ( -6.016 6.058 -0.938) 8.589 8.120 ( 6.800 -4.226 -2.711) 8.453 8.120 ( 6.800 4.226 -2.711) 8.453 8.201 ( 4.297 -2.706 1.016) 5.179 8.201 ( 4.297 2.706 1.016) 5.179 8.406 ( -4.630 -1.860 1.674) 5.264 8.406 ( -4.630 1.860 1.674) 5.264 8.663 ( -0.254 -0.767 0.553) 0.979 8.663 ( -0.254 0.767 0.553) 0.979 8.872 ( 1.628 -5.549 -0.873) 5.849 8.872 ( 1.628 5.549 -0.873) 5.849 8.992 ( -5.582 -1.380 -3.297) 6.629 8.992 ( -5.582 1.380 -3.297) 6.629 9.077 ( -1.334 -6.477 -1.153) 6.713 9.077 ( -1.334 6.477 -1.153) 6.713 9.180 ( -1.226 -7.327 8.622) 11.381 9.180 ( -1.226 7.327 8.622) 11.381 9.476 ( -5.376 -1.690 1.763) 5.904 9.476 ( -5.376 1.690 1.763) 5.904 9.554 ( -4.948 -9.932 -1.358) 11.179 9.554 ( -4.948 9.932 -1.358) 11.179 9.745 ( 0.822 -6.389 1.036) 6.524 9.745 ( 0.822 6.389 1.036) 6.524 10.032 ( -4.663 -16.930 3.244) 17.858 10.032 ( -4.663 16.930 3.244) 17.858 10.334 ( -3.941 -16.358 -1.517) 16.894 10.334 ( -3.941 16.358 -1.517) 16.894 10.595 ( 6.021 -8.442 -0.595) 10.386 10.595 ( 6.021 8.442 -0.595) 10.386 11.115 ( 4.790 -1.295 -1.648) 5.229 11.115 ( 4.790 1.295 -1.648) 5.229 11.440 ( 3.544 -5.549 -2.363) 6.995 11.440 ( 3.544 5.549 -2.363) 6.995 11.537 ( -2.807 -2.127 3.023) 4.641 11.537 ( -2.807 2.127 3.023) 4.641 11.906 ( -5.496 -6.098 5.699) 9.994 11.906 ( -5.496 6.098 5.699) 9.994 12.433 ( -2.922 -2.378 4.820) 6.118 12.433 ( -2.922 2.378 4.820) 6.118 12.589 ( -3.033 -1.083 0.872) 3.337 12.589 ( -3.033 1.083 0.872) 3.337 12.974 ( -2.729 -1.980 -3.456) 4.828 12.974 ( -2.729 1.980 -3.456) 4.828 13.283 ( 2.311 -6.952 -2.577) 7.766 13.283 ( 2.311 6.952 -2.577) 7.766 13.839 ( -0.799 -10.225 2.743) 10.617 13.839 ( -0.799 10.225 2.743) 10.617 13.951 ( -3.708 -7.046 -4.779) 9.286 13.951 ( -3.708 7.046 -4.779) 9.286 14.638 ( 8.526 -13.128 2.150) 15.801 14.638 ( 8.526 13.128 2.150) 15.801 15.477 ( -6.069 -2.804 -5.137) 8.431 15.477 ( -6.069 2.804 -5.137) 8.431 16.120 ( 13.191 -11.626 -4.196) 18.077 16.120 ( 13.191 11.626 -4.196) 18.077 ======================= Grid point 79 (42/111) ======================= q-point: (-0.11 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -12.164 -3.224 14.503) 19.202 0.940 ( -12.164 3.224 14.503) 19.202 1.079 ( -8.420 -12.930 15.357) 21.770 1.079 ( -8.420 12.930 15.357) 21.770 1.714 ( -13.044 -21.212 -1.253) 24.933 1.714 ( -13.044 21.212 -1.253) 24.933 2.153 ( -1.079 -3.162 1.845) 3.817 2.153 ( -1.079 3.162 1.845) 3.817 2.254 ( -0.945 -0.505 6.445) 6.533 2.254 ( -0.945 0.505 6.445) 6.533 2.376 ( -1.746 -1.015 5.323) 5.693 2.376 ( -1.746 1.015 5.323) 5.693 2.537 ( 1.271 -2.375 0.310) 2.711 2.537 ( 1.271 2.375 0.310) 2.711 2.696 ( 1.380 -2.668 -0.861) 3.125 2.696 ( 1.380 2.668 -0.861) 3.125 2.866 ( 1.961 -8.724 -2.749) 9.355 2.866 ( 1.961 8.724 -2.749) 9.355 3.048 ( 0.012 -2.210 -0.980) 2.418 3.048 ( 0.012 2.210 -0.980) 2.418 3.211 ( 1.311 -2.120 5.089) 5.667 3.211 ( 1.311 2.120 5.089) 5.667 3.392 ( -5.345 -2.606 14.263) 15.453 3.392 ( -5.345 2.606 14.263) 15.453 3.530 ( 0.508 -5.215 5.097) 7.310 3.530 ( 0.508 5.215 5.097) 7.310 4.118 ( 5.246 -3.446 -1.966) 6.577 4.118 ( 5.246 3.446 -1.966) 6.577 4.298 ( 10.636 -1.944 0.234) 10.815 4.298 ( 10.636 1.944 0.234) 10.815 4.776 ( -8.461 -6.053 -2.466) 10.692 4.776 ( -8.461 6.053 -2.466) 10.692 5.106 ( 4.391 -7.998 -5.021) 10.415 5.106 ( 4.391 7.998 -5.021) 10.415 5.580 ( 0.153 -5.541 0.774) 5.597 5.580 ( 0.153 5.541 0.774) 5.597 5.736 ( -0.974 -2.567 -0.113) 2.748 5.736 ( -0.974 2.567 -0.113) 2.748 6.112 ( -3.132 -0.876 3.715) 4.937 6.112 ( -3.132 0.876 3.715) 4.937 6.231 ( 3.667 -2.845 -5.068) 6.872 6.231 ( 3.667 2.845 -5.068) 6.872 6.688 ( 1.781 -3.267 -0.993) 3.851 6.688 ( 1.781 3.267 -0.993) 3.851 6.792 ( -0.925 -1.526 0.926) 2.011 6.792 ( -0.925 1.526 0.926) 2.011 6.932 ( -0.541 -3.126 5.036) 5.952 6.932 ( -0.541 3.126 5.036) 5.952 7.266 ( -3.244 -7.390 3.939) 8.981 7.266 ( -3.244 7.390 3.939) 8.981 7.421 ( -3.011 -7.266 2.518) 8.258 7.421 ( -3.011 7.266 2.518) 8.258 7.592 ( -3.546 -2.881 -0.142) 4.571 7.592 ( -3.546 2.881 -0.142) 4.571 8.194 ( -0.712 -1.577 -9.734) 9.886 8.194 ( -0.712 1.577 -9.734) 9.886 8.225 ( 3.355 -4.092 -3.569) 6.383 8.225 ( 3.355 4.092 -3.569) 6.383 8.379 ( 1.069 -0.691 1.062) 1.658 8.379 ( 1.069 0.691 1.062) 1.658 8.622 ( -6.382 -3.353 0.274) 7.214 8.622 ( -6.382 3.353 0.274) 7.214 8.768 ( -11.712 -7.803 5.195) 15.002 8.768 ( -11.712 7.803 5.195) 15.002 8.911 ( 2.741 -8.261 -1.288) 8.799 8.911 ( 2.741 8.261 -1.288) 8.799 9.058 ( -1.391 -5.857 0.211) 6.024 9.058 ( -1.391 5.857 0.211) 6.024 9.159 ( -5.449 -9.081 3.848) 11.268 9.159 ( -5.449 9.081 3.848) 11.268 9.416 ( -2.566 -1.941 2.635) 4.158 9.416 ( -2.566 1.941 2.635) 4.158 9.528 ( 1.644 -1.920 4.927) 5.538 9.528 ( 1.644 1.920 4.927) 5.538 9.820 ( 4.495 -9.941 1.834) 11.063 9.820 ( 4.495 9.941 1.834) 11.063 9.970 ( -3.140 -16.676 5.855) 17.950 9.970 ( -3.140 16.676 5.855) 17.950 10.219 ( -8.320 -11.677 9.071) 16.966 10.219 ( -8.320 11.677 9.071) 16.966 10.709 ( 4.972 -1.465 -1.278) 5.339 10.709 ( 4.972 1.465 -1.278) 5.339 11.213 ( 5.358 -1.991 -2.049) 6.072 11.213 ( 5.358 1.991 -2.049) 6.072 11.356 ( -3.812 -2.555 -6.712) 8.131 11.356 ( -3.812 2.555 -6.712) 8.131 11.620 ( 3.629 -10.905 5.531) 12.754 11.620 ( 3.629 10.905 5.531) 12.754 11.839 ( -5.104 -4.650 7.515) 10.206 11.839 ( -5.104 4.650 7.515) 10.206 12.368 ( -5.499 -1.094 2.729) 6.236 12.368 ( -5.499 1.094 2.729) 6.236 12.540 ( -2.080 -4.885 1.268) 5.459 12.540 ( -2.080 4.885 1.268) 5.459 12.924 ( -0.551 -1.131 -2.736) 3.012 12.924 ( -0.551 1.131 -2.736) 3.012 13.329 ( 2.968 -5.663 0.282) 6.400 13.329 ( 2.968 5.663 0.282) 6.400 13.842 ( -0.522 -7.048 1.828) 7.300 13.842 ( -0.522 7.048 1.828) 7.300 13.876 ( -1.506 -2.018 -1.787) 3.087 13.876 ( -1.506 2.018 -1.787) 3.087 14.818 ( 7.965 -14.256 0.743) 16.347 14.818 ( 7.965 14.256 0.743) 16.347 15.318 ( -6.500 -2.990 -3.540) 7.983 15.318 ( -6.500 2.990 -3.540) 7.983 16.343 ( 12.262 -10.649 -9.226) 18.678 16.343 ( 12.262 10.649 -9.226) 18.678 ======================= Grid point 90 (43/111) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -0.532 0.000 20.545) 20.552 0.977 ( 6.396 0.000 24.241) 25.071 1.577 ( -6.440 0.000 21.944) 22.870 1.658 ( 0.359 0.000 8.824) 8.832 1.675 ( -1.334 0.000 32.573) 32.600 1.872 ( -3.579 0.000 -2.952) 4.640 2.138 ( -1.566 0.000 0.273) 1.590 2.189 ( -0.502 0.000 -3.052) 3.093 2.329 ( 1.485 0.000 -0.351) 1.526 2.382 ( 0.140 0.000 4.758) 4.760 2.391 ( 0.871 0.000 2.646) 2.785 2.509 ( -3.935 0.000 8.452) 9.323 2.512 ( 0.251 0.000 3.525) 3.534 2.545 ( -2.915 0.000 -3.016) 4.195 2.703 ( 0.297 0.000 -0.596) 0.666 2.731 ( 4.168 0.000 5.236) 6.692 2.872 ( -1.890 0.000 3.930) 4.361 2.998 ( 2.925 0.000 -4.922) 5.725 3.027 ( 2.619 0.000 -0.566) 2.680 3.055 ( -2.948 0.000 -2.519) 3.878 3.219 ( -2.210 0.000 4.760) 5.248 3.511 ( 2.523 0.000 2.708) 3.701 3.580 ( 1.352 0.000 5.819) 5.974 3.651 ( 2.952 0.000 11.905) 12.266 3.849 ( -4.138 0.000 -8.038) 9.041 3.933 ( -4.060 0.000 15.716) 16.232 4.056 ( -6.089 0.000 24.636) 25.378 4.136 ( -9.056 0.000 -6.626) 11.221 4.198 ( 4.228 0.000 -0.986) 4.342 4.366 ( -4.188 0.000 22.613) 22.997 4.738 ( -9.661 0.000 -2.614) 10.009 4.825 ( -1.762 0.000 10.295) 10.445 4.834 ( 8.030 0.000 -4.354) 9.134 5.393 ( 6.254 0.000 -1.861) 6.525 5.576 ( -4.692 0.000 0.633) 4.734 5.654 ( 3.882 0.000 -1.603) 4.200 5.727 ( 7.119 0.000 3.269) 7.834 5.751 ( 0.291 0.000 1.580) 1.606 5.927 ( -6.676 0.000 -3.308) 7.451 6.001 ( -3.552 0.000 -0.695) 3.619 6.140 ( -0.349 0.000 -3.703) 3.719 6.194 ( 3.301 0.000 -4.990) 5.983 6.612 ( 3.886 0.000 -2.399) 4.567 6.663 ( 2.570 0.000 -4.598) 5.268 6.766 ( -2.434 0.000 -4.377) 5.008 6.829 ( -0.451 0.000 2.213) 2.258 6.906 ( -12.209 0.000 0.303) 12.213 7.036 ( -3.254 0.000 4.627) 5.657 7.232 ( -1.176 0.000 5.362) 5.490 7.274 ( 4.813 0.000 0.367) 4.827 7.433 ( -2.135 0.000 -0.136) 2.139 7.459 ( -3.598 0.000 -5.752) 6.784 7.770 ( 0.452 0.000 -9.937) 9.948 7.787 ( 0.977 0.000 -5.905) 5.985 7.874 ( 10.260 0.000 0.729) 10.286 7.993 ( 16.221 0.000 0.801) 16.241 8.052 ( 1.378 0.000 -8.960) 9.065 8.136 ( -4.516 0.000 -4.977) 6.720 8.201 ( -0.309 0.000 -3.079) 3.094 8.240 ( -0.386 0.000 -8.331) 8.340 8.391 ( 3.257 0.000 -7.316) 8.008 8.406 ( -2.285 0.000 -12.323) 12.533 8.570 ( 1.152 0.000 -2.949) 3.165 8.702 ( 4.004 0.000 -3.890) 5.582 8.703 ( -7.129 0.000 3.020) 7.743 8.812 ( -5.796 0.000 -1.098) 5.899 9.047 ( -1.321 0.000 12.572) 12.641 9.231 ( -0.374 0.000 3.966) 3.984 9.324 ( -2.814 0.000 4.093) 4.967 9.354 ( 5.548 0.000 10.128) 11.548 9.395 ( -1.735 0.000 6.367) 6.599 9.624 ( 1.911 0.000 -0.673) 2.026 9.689 ( -4.128 0.000 9.396) 10.263 9.853 ( 2.380 0.000 8.674) 8.995 9.888 ( -4.455 0.000 2.712) 5.215 10.006 ( 2.835 0.000 8.324) 8.794 10.126 ( -11.482 0.000 12.981) 17.331 10.182 ( 2.345 0.000 -3.383) 4.117 10.565 ( 8.181 0.000 17.545) 19.359 10.616 ( -6.103 0.000 -1.783) 6.358 10.993 ( -4.850 0.000 -7.788) 9.174 11.084 ( -0.008 0.000 -7.536) 7.536 11.109 ( 2.481 0.000 -5.961) 6.457 11.155 ( 8.214 0.000 -0.986) 8.273 11.290 ( 3.176 0.000 -8.855) 9.407 11.531 ( 5.057 0.000 0.476) 5.079 11.615 ( -3.970 0.000 0.606) 4.016 11.731 ( -7.719 0.000 5.065) 9.232 11.964 ( -6.754 0.000 4.508) 8.121 12.209 ( -7.298 0.000 7.306) 10.327 12.509 ( 4.453 0.000 7.657) 8.858 12.628 ( 0.232 0.000 -3.792) 3.799 12.727 ( -2.312 0.000 -2.209) 3.197 12.791 ( 0.650 0.000 -0.599) 0.884 12.853 ( 1.014 0.000 -1.188) 1.562 12.914 ( -0.047 0.000 6.956) 6.956 13.034 ( 2.932 0.000 8.716) 9.196 13.396 ( 0.324 0.000 -2.079) 2.104 13.624 ( 1.653 0.000 -4.640) 4.926 13.777 ( 2.198 0.000 2.701) 3.482 13.976 ( 1.159 0.000 -2.737) 2.972 14.168 ( 0.980 0.000 -5.334) 5.423 14.326 ( 0.104 0.000 8.133) 8.134 14.958 ( -7.075 0.000 -6.285) 9.464 15.363 ( 10.732 0.000 -1.489) 10.835 15.407 ( -0.601 0.000 -2.248) 2.327 15.422 ( 5.334 0.000 6.931) 8.747 16.320 ( -0.432 0.000 -13.900) 13.907 ======================= Grid point 91 (44/111) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 10.013 0.000 16.267) 19.101 1.295 ( 11.112 0.000 20.529) 23.343 1.609 ( -1.686 0.000 17.052) 17.135 1.764 ( 4.900 0.000 12.522) 13.447 1.795 ( -1.928 0.000 -0.869) 2.115 1.952 ( 10.493 0.000 19.826) 22.431 2.140 ( 2.010 0.000 3.823) 4.320 2.167 ( -0.261 0.000 -3.257) 3.267 2.313 ( -1.039 0.000 -2.997) 3.172 2.380 ( -3.593 0.000 0.855) 3.693 2.421 ( -1.225 0.000 2.743) 3.004 2.462 ( -3.468 0.000 2.264) 4.142 2.486 ( -3.271 0.000 6.910) 7.645 2.512 ( 0.585 0.000 3.483) 3.532 2.733 ( 0.697 0.000 1.283) 1.460 2.810 ( 0.401 0.000 4.980) 4.996 2.810 ( -4.705 0.000 1.921) 5.083 2.996 ( -1.161 0.000 -3.990) 4.155 3.031 ( 3.413 0.000 -5.442) 6.424 3.100 ( -0.756 0.000 -0.576) 0.950 3.207 ( 1.649 0.000 5.868) 6.096 3.581 ( -5.677 0.000 4.945) 7.529 3.582 ( 0.911 0.000 5.928) 5.997 3.694 ( -7.357 0.000 -5.346) 9.094 3.778 ( 3.321 0.000 14.519) 14.894 3.961 ( -2.871 0.000 16.729) 16.974 3.982 ( -0.006 0.000 -8.834) 8.834 4.090 ( -4.495 0.000 23.433) 23.860 4.225 ( -0.694 0.000 -2.826) 2.910 4.401 ( -6.412 0.000 19.036) 20.087 4.531 ( -8.028 0.000 -1.095) 8.103 4.875 ( 0.267 0.000 9.819) 9.823 4.945 ( 3.765 0.000 -0.842) 3.858 5.445 ( 0.574 0.000 -5.064) 5.096 5.495 ( -3.388 0.000 1.126) 3.570 5.701 ( 0.460 0.000 0.181) 0.494 5.781 ( -4.327 0.000 -2.553) 5.024 5.790 ( 3.103 0.000 -0.318) 3.119 5.827 ( 2.875 0.000 -1.996) 3.501 6.024 ( 4.514 0.000 4.064) 6.074 6.088 ( -1.618 0.000 -3.492) 3.849 6.223 ( 1.283 0.000 -1.026) 1.643 6.647 ( -2.223 0.000 -5.665) 6.086 6.688 ( -1.265 0.000 -1.783) 2.186 6.695 ( 0.834 0.000 -7.740) 7.785 6.718 ( -1.760 0.000 2.530) 3.082 6.848 ( -0.441 0.000 2.034) 2.081 6.996 ( -3.154 0.000 2.842) 4.246 7.281 ( 1.663 0.000 6.523) 6.732 7.366 ( 4.029 0.000 -1.167) 4.194 7.402 ( 1.516 0.000 -6.478) 6.653 7.423 ( 1.266 0.000 -0.248) 1.290 7.704 ( -2.308 0.000 -10.755) 11.000 7.753 ( -1.697 0.000 -8.598) 8.763 7.860 ( -9.691 0.000 -5.020) 10.914 7.921 ( -6.396 0.000 -8.067) 10.295 8.067 ( 8.134 0.000 -1.109) 8.209 8.182 ( 3.142 0.000 -0.899) 3.268 8.303 ( 4.038 0.000 -1.381) 4.268 8.329 ( 4.209 0.000 -20.462) 20.890 8.374 ( 0.772 0.000 -6.880) 6.923 8.455 ( 16.723 0.000 0.126) 16.723 8.548 ( -8.895 0.000 3.515) 9.564 8.580 ( 4.492 0.000 -1.023) 4.607 8.734 ( -1.011 0.000 -3.057) 3.220 8.854 ( 9.978 0.000 5.788) 11.536 9.097 ( -1.372 0.000 11.196) 11.280 9.234 ( -0.574 0.000 2.758) 2.817 9.305 ( -1.584 0.000 4.225) 4.512 9.395 ( -2.520 0.000 8.464) 8.831 9.546 ( -1.326 0.000 12.013) 12.086 9.605 ( -0.504 0.000 8.027) 8.043 9.683 ( 4.780 0.000 -1.458) 4.998 9.831 ( -3.233 0.000 0.474) 3.268 9.891 ( -5.341 0.000 12.413) 13.513 10.027 ( -5.134 0.000 12.714) 13.712 10.114 ( 3.432 0.000 4.009) 5.278 10.165 ( 1.109 0.000 -10.143) 10.203 10.479 ( -7.241 0.000 1.977) 7.506 10.688 ( -9.352 0.000 11.926) 15.156 10.902 ( 1.944 0.000 -4.993) 5.358 11.057 ( -0.764 0.000 0.595) 0.968 11.075 ( 2.742 0.000 -5.746) 6.366 11.259 ( -1.591 0.000 -4.814) 5.070 11.316 ( 5.927 0.000 -4.759) 7.601 11.498 ( -2.587 0.000 -6.916) 7.384 11.596 ( -7.686 0.000 4.858) 9.092 11.619 ( -2.350 0.000 7.751) 8.100 11.900 ( -2.351 0.000 6.419) 6.836 12.132 ( -4.501 0.000 6.120) 7.597 12.615 ( 1.917 0.000 5.741) 6.053 12.629 ( 3.495 0.000 -2.880) 4.529 12.688 ( -2.092 0.000 -0.020) 2.092 12.801 ( 0.544 0.000 0.454) 0.709 12.875 ( 2.256 0.000 -1.357) 2.633 12.911 ( -0.912 0.000 0.553) 1.067 13.137 ( -0.665 0.000 14.447) 14.463 13.369 ( -0.622 0.000 -4.878) 4.918 13.656 ( 4.320 0.000 -4.470) 6.216 13.832 ( 1.073 0.000 2.821) 3.018 13.973 ( 0.789 0.000 -5.097) 5.158 14.160 ( 1.475 0.000 -5.759) 5.945 14.363 ( -1.076 0.000 8.542) 8.610 14.800 ( -5.951 0.000 -4.419) 7.412 15.375 ( -1.080 0.000 -2.781) 2.983 15.536 ( 7.610 0.000 -1.491) 7.755 15.582 ( 7.742 0.000 1.117) 7.823 16.179 ( -5.454 0.000 -13.384) 14.453 ======================= Grid point 92 (45/111) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 12.782 0.000 11.292) 17.055 1.608 ( 10.096 0.000 18.203) 20.815 1.713 ( 3.028 0.000 14.737) 15.045 1.803 ( 2.822 0.000 1.377) 3.140 1.982 ( 10.311 0.000 11.174) 15.204 2.096 ( 2.578 0.000 -1.084) 2.797 2.134 ( -1.032 0.000 -4.611) 4.725 2.257 ( -1.191 0.000 1.237) 1.717 2.259 ( -7.519 0.000 -0.160) 7.520 2.320 ( 2.108 0.000 0.724) 2.229 2.434 ( -2.761 0.000 4.962) 5.679 2.437 ( 4.214 0.000 7.166) 8.313 2.472 ( -2.800 0.000 8.317) 8.776 2.541 ( -1.999 0.000 4.891) 5.283 2.729 ( -1.075 0.000 2.702) 2.908 2.751 ( -2.100 0.000 -1.231) 2.434 2.811 ( -2.505 0.000 3.723) 4.487 2.947 ( -1.521 0.000 -6.017) 6.206 3.009 ( -4.141 0.000 -0.832) 4.224 3.039 ( -0.064 0.000 -5.985) 5.986 3.321 ( 3.120 0.000 8.803) 9.339 3.439 ( -7.183 0.000 -0.187) 7.185 3.576 ( -3.828 0.000 0.153) 3.831 3.597 ( -2.044 0.000 5.222) 5.608 3.919 ( 0.906 0.000 13.302) 13.333 3.987 ( 1.487 0.000 -4.784) 5.010 4.018 ( -2.226 0.000 22.947) 23.055 4.147 ( -1.896 0.000 17.513) 17.616 4.171 ( -0.997 0.000 -4.992) 5.091 4.269 ( -9.338 0.000 6.479) 11.365 4.517 ( -1.699 0.000 13.917) 14.021 4.927 ( 0.143 0.000 7.730) 7.732 4.942 ( -3.628 0.000 1.223) 3.829 5.370 ( -2.875 0.000 -8.574) 9.043 5.491 ( 2.953 0.000 0.015) 2.953 5.668 ( -1.107 0.000 -4.221) 4.364 5.721 ( -3.630 0.000 2.449) 4.379 5.848 ( 2.788 0.000 -1.613) 3.221 5.899 ( 5.181 0.000 -1.321) 5.347 6.071 ( 1.080 0.000 0.125) 1.087 6.149 ( 4.766 0.000 3.012) 5.638 6.222 ( -1.288 0.000 -0.880) 1.560 6.563 ( -2.793 0.000 -5.356) 6.041 6.583 ( -4.541 0.000 3.270) 5.596 6.657 ( -1.617 0.000 -3.203) 3.587 6.790 ( 3.242 0.000 -1.637) 3.632 6.866 ( 3.462 0.000 -1.843) 3.922 6.970 ( -0.522 0.000 1.298) 1.399 7.353 ( 0.876 0.000 9.252) 9.293 7.366 ( -4.526 0.000 -4.595) 6.450 7.395 ( -1.525 0.000 -4.951) 5.180 7.455 ( 3.537 0.000 -0.659) 3.598 7.564 ( -7.268 0.000 -4.709) 8.661 7.622 ( -0.377 0.000 -2.777) 2.802 7.762 ( -2.015 0.000 -2.337) 3.086 7.809 ( 0.814 0.000 -10.273) 10.305 8.138 ( 1.834 0.000 -3.809) 4.228 8.234 ( -0.011 0.000 4.400) 4.400 8.298 ( -3.499 0.000 -1.737) 3.906 8.333 ( 8.817 0.000 -22.238) 23.922 8.427 ( 3.160 0.000 1.861) 3.667 8.475 ( 1.368 0.000 3.789) 4.029 8.600 ( 9.018 0.000 -7.902) 11.990 8.704 ( -0.551 0.000 -5.176) 5.205 8.792 ( 9.884 0.000 0.520) 9.898 9.055 ( 4.140 0.000 6.397) 7.620 9.102 ( -2.781 0.000 5.342) 6.022 9.204 ( -5.268 0.000 1.373) 5.444 9.303 ( -3.208 0.000 6.098) 6.890 9.394 ( -0.978 0.000 6.752) 6.823 9.464 ( -5.439 0.000 9.946) 11.336 9.753 ( -3.787 0.000 0.504) 3.821 9.755 ( 1.306 0.000 2.404) 2.736 9.785 ( 8.725 0.000 3.562) 9.424 9.891 ( -0.015 0.000 13.163) 13.163 10.009 ( -4.470 0.000 8.311) 9.437 10.073 ( -2.336 0.000 -6.197) 6.623 10.256 ( 8.225 0.000 -4.369) 9.313 10.411 ( -0.242 0.000 2.020) 2.035 10.478 ( -14.403 0.000 6.476) 15.792 10.828 ( -5.782 0.000 -4.459) 7.302 11.074 ( -0.762 0.000 -4.935) 4.993 11.153 ( 2.900 0.000 1.958) 3.499 11.222 ( 0.437 0.000 -1.318) 1.389 11.283 ( -3.583 0.000 2.340) 4.279 11.414 ( -2.237 0.000 -7.953) 8.262 11.568 ( 2.075 0.000 -0.217) 2.086 11.572 ( -5.824 0.000 8.450) 10.263 11.949 ( 2.268 0.000 8.423) 8.723 12.104 ( -1.871 0.000 4.722) 5.079 12.629 ( -2.149 0.000 -1.496) 2.619 12.632 ( -2.905 0.000 4.295) 5.185 12.728 ( 5.747 0.000 -1.005) 5.834 12.817 ( 0.353 0.000 1.861) 1.894 12.907 ( 0.261 0.000 -0.092) 0.277 12.933 ( 5.119 0.000 -2.010) 5.499 13.157 ( -5.804 0.000 14.557) 15.672 13.317 ( -1.023 0.000 -8.203) 8.266 13.719 ( 3.653 0.000 -2.854) 4.636 13.834 ( -1.091 0.000 -0.690) 1.291 13.949 ( -0.016 0.000 -5.605) 5.605 14.159 ( 2.280 0.000 -7.181) 7.534 14.383 ( -2.127 0.000 8.955) 9.204 14.684 ( -4.017 0.000 -2.972) 4.997 15.342 ( -0.643 0.000 -2.709) 2.784 15.637 ( 4.171 0.000 -2.493) 4.859 15.708 ( 5.575 0.000 -1.624) 5.806 15.994 ( -5.887 0.000 -10.782) 12.284 ======================= Grid point 93 (46/111) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 11.703 0.000 7.260) 13.772 1.861 ( 6.128 0.000 6.750) 9.117 1.867 ( 3.695 0.000 11.930) 12.490 1.907 ( 6.272 0.000 8.667) 10.698 2.045 ( -6.508 0.000 -1.169) 6.612 2.147 ( 2.552 0.000 0.179) 2.558 2.159 ( -1.934 0.000 0.887) 2.128 2.214 ( -3.262 0.000 3.610) 4.865 2.232 ( 7.306 0.000 4.989) 8.847 2.288 ( -1.759 0.000 -3.804) 4.191 2.401 ( -2.381 0.000 7.375) 7.750 2.465 ( -5.199 0.000 3.854) 6.472 2.483 ( -0.616 0.000 7.299) 7.325 2.526 ( -2.991 0.000 3.338) 4.483 2.677 ( -2.454 0.000 -0.604) 2.527 2.751 ( -4.924 0.000 2.215) 5.399 2.776 ( 2.316 0.000 1.834) 2.954 2.869 ( -3.172 0.000 -5.253) 6.136 2.973 ( -0.415 0.000 -1.541) 1.596 2.975 ( -1.700 0.000 -6.998) 7.202 3.366 ( -1.082 0.000 0.865) 1.385 3.370 ( -4.356 0.000 7.924) 9.042 3.533 ( -1.614 0.000 2.968) 3.378 3.608 ( 2.146 0.000 2.099) 3.002 3.914 ( -5.885 0.000 -2.045) 6.231 3.979 ( 0.209 0.000 11.408) 11.410 4.086 ( -5.240 0.000 24.177) 24.739 4.155 ( -7.490 0.000 22.194) 23.424 4.181 ( 4.628 0.000 -7.441) 8.763 4.249 ( 0.133 0.000 4.697) 4.699 4.556 ( -2.418 0.000 13.319) 13.537 4.859 ( -5.288 0.000 2.610) 5.898 4.987 ( 2.272 0.000 4.591) 5.123 5.296 ( 0.590 0.000 -7.477) 7.500 5.586 ( 7.026 0.000 -3.435) 7.821 5.590 ( -4.930 0.000 -1.324) 5.104 5.679 ( -1.413 0.000 -2.636) 2.991 5.843 ( -2.850 0.000 -1.150) 3.073 5.947 ( -0.266 0.000 -3.024) 3.035 6.111 ( 2.597 0.000 1.391) 2.946 6.154 ( -4.523 0.000 0.991) 4.630 6.209 ( -0.490 0.000 2.809) 2.852 6.512 ( -0.215 0.000 -3.182) 3.189 6.584 ( 2.111 0.000 4.951) 5.383 6.631 ( 0.667 0.000 0.058) 0.670 6.845 ( 4.278 0.000 -1.674) 4.594 6.953 ( -2.959 0.000 1.719) 3.422 6.965 ( 8.652 0.000 -4.876) 9.931 7.230 ( -9.461 0.000 -0.967) 9.511 7.255 ( -2.344 0.000 -2.152) 3.182 7.396 ( -3.113 0.000 6.895) 7.565 7.482 ( -0.322 0.000 -1.836) 1.864 7.557 ( 4.279 0.000 3.600) 5.592 7.663 ( 5.936 0.000 -3.505) 6.894 7.743 ( 1.462 0.000 -1.315) 1.967 7.846 ( 7.663 0.000 -7.067) 10.424 8.108 ( -4.295 0.000 1.741) 4.634 8.217 ( -2.855 0.000 0.377) 2.880 8.238 ( 1.363 0.000 -8.261) 8.373 8.413 ( 11.045 0.000 -17.138) 20.389 8.429 ( -1.403 0.000 0.805) 1.617 8.590 ( 2.709 0.000 7.407) 7.887 8.656 ( -0.604 0.000 -3.590) 3.641 8.728 ( 6.414 0.000 -5.526) 8.466 8.922 ( 3.680 0.000 0.861) 3.779 9.029 ( -6.337 0.000 -1.505) 6.513 9.076 ( -1.207 0.000 0.292) 1.242 9.107 ( -4.511 0.000 1.145) 4.654 9.227 ( -7.925 0.000 8.647) 11.730 9.409 ( -5.064 0.000 7.344) 8.921 9.441 ( 1.171 0.000 4.733) 4.876 9.742 ( 1.745 0.000 0.991) 2.007 9.785 ( -1.425 0.000 10.864) 10.958 9.941 ( -5.704 0.000 4.337) 7.166 9.961 ( 5.782 0.000 -3.754) 6.894 10.011 ( 5.067 0.000 7.338) 8.917 10.023 ( 2.651 0.000 -1.905) 3.265 10.265 ( -10.772 0.000 5.328) 12.017 10.307 ( -1.921 0.000 2.350) 3.035 10.525 ( 11.289 0.000 -6.147) 12.854 10.662 ( -11.517 0.000 2.787) 11.849 11.015 ( -1.744 0.000 -4.729) 5.040 11.051 ( -4.963 0.000 -9.669) 10.868 11.199 ( -3.643 0.000 -2.406) 4.366 11.321 ( -3.786 0.000 -4.170) 5.633 11.364 ( 3.523 0.000 6.322) 7.237 11.549 ( 0.787 0.000 3.188) 3.284 11.611 ( 3.025 0.000 -1.976) 3.613 12.058 ( 2.617 0.000 11.273) 11.573 12.105 ( 0.078 0.000 2.134) 2.135 12.579 ( -4.804 0.000 5.079) 6.991 12.590 ( -1.213 0.000 -0.465) 1.299 12.806 ( 1.981 0.000 -0.329) 2.008 12.843 ( 1.461 0.000 3.151) 3.473 12.911 ( 0.072 0.000 -0.046) 0.085 13.048 ( 8.217 0.000 -4.521) 9.379 13.078 ( -10.523 0.000 13.133) 16.829 13.238 ( -1.587 0.000 -10.027) 10.152 13.737 ( -1.049 0.000 1.564) 1.883 13.824 ( 2.592 0.000 -6.632) 7.121 13.909 ( -0.650 0.000 -6.266) 6.299 14.169 ( 3.130 0.000 -7.629) 8.246 14.376 ( -3.995 0.000 8.776) 9.642 14.612 ( -2.086 0.000 -1.979) 2.875 15.325 ( 0.310 0.000 -2.106) 2.128 15.669 ( 1.148 0.000 -4.079) 4.238 15.780 ( 3.446 0.000 -3.154) 4.672 15.857 ( -2.640 0.000 -7.629) 8.073 ======================= Grid point 94 (47/111) ======================= q-point: (-0.56 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 7.890 0.000 4.452) 9.059 1.812 ( -9.948 0.000 -0.351) 9.954 1.929 ( 1.257 0.000 -0.394) 1.318 2.051 ( -0.125 0.000 10.728) 10.728 2.073 ( -6.549 0.000 5.405) 8.491 2.098 ( 2.633 0.000 10.798) 11.114 2.123 ( -3.552 0.000 6.295) 7.228 2.203 ( -3.909 0.000 -3.151) 5.021 2.260 ( 1.193 0.000 1.387) 1.830 2.276 ( 1.182 0.000 0.078) 1.184 2.432 ( -2.442 0.000 -0.207) 2.451 2.443 ( -2.331 0.000 7.681) 8.027 2.485 ( 2.071 0.000 8.404) 8.655 2.493 ( -2.602 0.000 2.236) 3.431 2.628 ( -3.192 0.000 -0.851) 3.303 2.715 ( -2.046 0.000 -3.448) 4.010 2.796 ( 1.190 0.000 2.105) 2.418 2.817 ( 1.531 0.000 -0.553) 1.628 2.937 ( 2.978 0.000 -5.989) 6.689 2.939 ( -1.548 0.000 -3.191) 3.546 3.281 ( -6.815 0.000 4.943) 8.419 3.379 ( 0.241 0.000 4.199) 4.206 3.543 ( 0.640 0.000 2.972) 3.040 3.678 ( 3.805 0.000 -0.285) 3.816 3.804 ( -3.765 0.000 -0.924) 3.877 4.039 ( -4.364 0.000 19.152) 19.643 4.109 ( -10.676 0.000 26.009) 28.115 4.169 ( -4.920 0.000 1.374) 5.108 4.212 ( -0.933 0.000 17.833) 17.857 4.224 ( 4.341 0.000 -7.159) 8.372 4.566 ( -4.570 0.000 11.119) 12.022 4.792 ( -2.985 0.000 1.995) 3.590 5.023 ( 0.062 0.000 -0.825) 0.827 5.291 ( 0.789 0.000 -4.738) 4.803 5.509 ( -0.903 0.000 -1.927) 2.128 5.615 ( -2.582 0.000 -6.309) 6.817 5.686 ( 5.400 0.000 -4.133) 6.800 5.803 ( 1.201 0.000 1.404) 1.848 5.864 ( -5.939 0.000 -1.715) 6.181 6.090 ( -4.812 0.000 3.143) 5.747 6.148 ( 0.144 0.000 -3.655) 3.658 6.207 ( -0.780 0.000 7.591) 7.631 6.497 ( 0.951 0.000 -1.165) 1.504 6.673 ( 4.493 0.000 0.737) 4.553 6.691 ( 4.418 0.000 1.327) 4.613 6.829 ( -6.799 0.000 5.668) 8.852 7.000 ( 6.868 0.000 0.762) 6.910 7.076 ( -2.029 0.000 -0.433) 2.075 7.130 ( 5.612 0.000 -3.059) 6.391 7.270 ( 3.209 0.000 0.912) 3.337 7.325 ( -6.241 0.000 4.057) 7.444 7.482 ( 3.483 0.000 -3.715) 5.092 7.680 ( 4.162 0.000 4.099) 5.842 7.756 ( 6.108 0.000 -6.367) 8.823 7.789 ( 3.615 0.000 -0.717) 3.685 7.988 ( 8.617 0.000 -2.220) 8.898 8.055 ( -1.344 0.000 4.971) 5.149 8.149 ( -1.948 0.000 -5.037) 5.401 8.232 ( 1.827 0.000 -8.030) 8.235 8.404 ( -0.090 0.000 -0.824) 0.829 8.544 ( 10.680 0.000 -12.293) 16.284 8.588 ( -1.658 0.000 -1.329) 2.125 8.715 ( 2.568 0.000 8.645) 9.019 8.755 ( -1.083 0.000 -0.094) 1.087 8.870 ( -6.304 0.000 -5.468) 8.345 8.974 ( -2.179 0.000 3.555) 4.170 9.015 ( -1.992 0.000 -4.647) 5.056 9.061 ( -0.522 0.000 -0.204) 0.560 9.133 ( -6.303 0.000 8.630) 10.686 9.403 ( 0.204 0.000 5.337) 5.340 9.477 ( 0.210 0.000 4.301) 4.306 9.778 ( -7.548 0.000 10.107) 12.615 9.785 ( 1.264 0.000 -0.596) 1.398 9.902 ( 0.535 0.000 6.319) 6.342 9.958 ( 0.865 0.000 -4.394) 4.478 10.081 ( -4.943 0.000 6.746) 8.363 10.097 ( -0.707 0.000 -1.523) 1.679 10.183 ( 0.592 0.000 1.500) 1.612 10.273 ( -1.491 0.000 4.954) 5.173 10.443 ( -11.600 0.000 8.089) 14.142 10.701 ( 11.429 0.000 -9.588) 14.918 10.913 ( -3.315 0.000 -11.947) 12.399 10.961 ( -1.100 0.000 -4.742) 4.868 11.092 ( -4.855 0.000 -1.103) 4.979 11.199 ( -6.025 0.000 -5.745) 8.325 11.421 ( 0.290 0.000 1.350) 1.381 11.617 ( 3.957 0.000 0.465) 3.984 11.673 ( 4.150 0.000 -0.856) 4.238 12.081 ( -2.905 0.000 4.327) 5.212 12.207 ( 4.932 0.000 8.628) 9.938 12.515 ( -5.254 0.000 6.262) 8.174 12.579 ( 0.129 0.000 0.319) 0.344 12.815 ( -0.208 0.000 -0.294) 0.360 12.896 ( -5.458 0.000 6.704) 8.645 12.897 ( 1.504 0.000 3.854) 4.137 12.951 ( -5.106 0.000 4.792) 7.002 13.099 ( -1.229 0.000 -10.842) 10.911 13.219 ( 6.423 0.000 -4.944) 8.105 13.732 ( -0.440 0.000 2.716) 2.751 13.835 ( 2.485 0.000 -7.914) 8.295 13.857 ( -0.382 0.000 -8.053) 8.062 14.187 ( 2.845 0.000 -7.027) 7.581 14.330 ( -5.640 0.000 7.780) 9.609 14.590 ( 0.921 0.000 -0.633) 1.117 15.329 ( 1.033 0.000 -1.234) 1.610 15.639 ( -1.405 0.000 -5.320) 5.502 15.804 ( 1.377 0.000 -4.808) 5.002 15.817 ( 2.266 0.000 -5.106) 5.586 ======================= Grid point 95 (48/111) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -13.662 0.000 1.393) 13.733 1.823 ( -7.977 0.000 7.520) 10.963 1.846 ( -13.668 0.000 7.484) 15.583 1.964 ( -2.590 0.000 -0.740) 2.693 2.054 ( 3.238 0.000 1.091) 3.417 2.106 ( -2.894 0.000 -1.023) 3.069 2.171 ( -0.422 0.000 8.143) 8.154 2.214 ( 1.433 0.000 7.282) 7.422 2.299 ( -0.732 0.000 1.701) 1.852 2.309 ( 3.710 0.000 1.533) 4.014 2.360 ( -6.000 0.000 3.585) 6.989 2.363 ( -5.174 0.000 2.864) 5.914 2.461 ( -3.958 0.000 8.568) 9.437 2.555 ( -2.787 0.000 -1.878) 3.361 2.627 ( 4.344 0.000 5.081) 6.685 2.671 ( 0.878 0.000 2.097) 2.273 2.840 ( 1.687 0.000 0.331) 1.719 2.872 ( 5.357 0.000 -5.535) 7.702 2.897 ( -0.394 0.000 -3.782) 3.802 3.010 ( 5.516 0.000 -4.375) 7.041 3.215 ( -2.396 0.000 5.679) 6.164 3.391 ( -2.086 0.000 4.379) 4.851 3.607 ( 4.879 0.000 3.194) 5.831 3.731 ( 0.269 0.000 -1.521) 1.544 3.774 ( 1.083 0.000 -0.589) 1.233 3.853 ( -17.139 0.000 -2.494) 17.320 4.032 ( -7.851 0.000 18.434) 20.036 4.087 ( -11.749 0.000 29.597) 31.844 4.286 ( 5.533 0.000 -3.378) 6.482 4.373 ( 0.683 0.000 16.133) 16.147 4.514 ( -4.018 0.000 11.152) 11.854 4.756 ( -1.742 0.000 0.280) 1.764 5.030 ( 1.166 0.000 1.165) 1.648 5.238 ( -2.416 0.000 -4.725) 5.307 5.509 ( -1.717 0.000 -10.252) 10.395 5.569 ( 4.150 0.000 -0.813) 4.229 5.743 ( -4.622 0.000 0.920) 4.713 5.764 ( 4.504 0.000 -3.516) 5.714 5.873 ( 4.234 0.000 -1.080) 4.370 5.982 ( -6.786 0.000 2.526) 7.241 6.111 ( -0.635 0.000 -4.195) 4.243 6.248 ( 0.128 0.000 7.299) 7.300 6.554 ( 3.814 0.000 2.198) 4.402 6.714 ( -3.924 0.000 0.898) 4.025 6.780 ( 2.520 0.000 3.162) 4.043 6.793 ( 5.459 0.000 0.472) 5.480 7.039 ( -1.851 0.000 3.732) 4.166 7.092 ( 0.621 0.000 4.045) 4.092 7.147 ( -2.730 0.000 -4.878) 5.590 7.301 ( 2.945 0.000 -0.198) 2.952 7.345 ( 3.285 0.000 0.022) 3.285 7.601 ( 9.028 0.000 -0.112) 9.029 7.699 ( -2.384 0.000 0.110) 2.387 7.819 ( 5.802 0.000 -9.924) 11.495 7.873 ( 4.741 0.000 -0.798) 4.808 8.030 ( -2.353 0.000 -4.143) 4.765 8.128 ( 3.369 0.000 7.686) 8.392 8.182 ( -3.548 0.000 -2.640) 4.422 8.188 ( 8.590 0.000 -6.004) 10.480 8.482 ( 9.376 0.000 -4.461) 10.383 8.548 ( -0.938 0.000 -0.565) 1.095 8.592 ( -2.939 0.000 -9.635) 10.073 8.686 ( -3.520 0.000 -2.397) 4.259 8.810 ( 3.485 0.000 -0.234) 3.493 8.816 ( 3.201 0.000 7.023) 7.718 8.919 ( -1.209 0.000 0.482) 1.302 9.018 ( 1.864 0.000 -0.477) 1.924 9.040 ( -3.684 0.000 6.542) 7.508 9.113 ( 0.459 0.000 5.046) 5.067 9.420 ( -1.721 0.000 0.954) 1.968 9.481 ( -3.806 0.000 3.188) 4.965 9.691 ( -3.987 0.000 7.189) 8.220 9.744 ( -4.920 0.000 -1.248) 5.076 9.913 ( -9.999 0.000 0.327) 10.005 9.921 ( -5.463 0.000 8.281) 9.920 10.004 ( 0.779 0.000 -5.058) 5.117 10.026 ( -10.336 0.000 3.838) 11.025 10.098 ( -0.120 0.000 8.092) 8.093 10.331 ( 2.245 0.000 6.532) 6.907 10.450 ( 4.260 0.000 3.338) 5.412 10.805 ( -0.665 0.000 -7.361) 7.391 10.843 ( 9.551 0.000 -14.298) 17.195 10.936 ( 1.883 0.000 -2.753) 3.335 11.008 ( -3.264 0.000 -4.624) 5.660 11.071 ( -3.157 0.000 -0.591) 3.212 11.406 ( -1.429 0.000 -1.591) 2.138 11.682 ( 2.514 0.000 0.805) 2.640 11.742 ( 3.166 0.000 -0.397) 3.191 12.031 ( -4.374 0.000 3.725) 5.745 12.323 ( -0.142 0.000 9.171) 9.172 12.469 ( -1.738 0.000 7.391) 7.592 12.597 ( 1.041 0.000 1.492) 1.819 12.800 ( -0.662 0.000 -2.368) 2.459 12.801 ( -7.479 0.000 9.839) 12.359 12.931 ( 0.152 0.000 1.040) 1.051 12.943 ( 0.944 0.000 -0.454) 1.048 12.987 ( -3.712 0.000 -7.191) 8.093 13.309 ( 4.391 0.000 -3.603) 5.679 13.745 ( -0.186 0.000 2.952) 2.958 13.818 ( 1.998 0.000 -9.669) 9.873 13.825 ( 1.192 0.000 -8.277) 8.362 14.191 ( 1.595 0.000 -6.174) 6.376 14.260 ( -5.433 0.000 6.397) 8.393 14.647 ( 4.816 0.000 1.169) 4.956 15.348 ( 1.446 0.000 -0.387) 1.497 15.559 ( -3.383 0.000 -6.264) 7.119 15.777 ( -0.950 0.000 -6.287) 6.359 15.884 ( 7.294 0.000 -4.003) 8.320 ======================= Grid point 96 (49/111) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -16.477 0.000 4.362) 17.044 1.581 ( -18.173 0.000 8.283) 19.972 1.676 ( -10.023 0.000 10.176) 14.283 1.909 ( -2.545 0.000 2.770) 3.762 1.975 ( -12.489 0.000 5.176) 13.520 2.091 ( -0.779 0.000 0.636) 1.006 2.233 ( -1.105 0.000 0.132) 1.112 2.252 ( -8.096 0.000 2.559) 8.491 2.258 ( 5.210 0.000 1.771) 5.503 2.300 ( -1.158 0.000 7.104) 7.197 2.343 ( 2.147 0.000 2.160) 3.046 2.390 ( 0.583 0.000 4.229) 4.269 2.455 ( -1.837 0.000 8.628) 8.822 2.501 ( -3.113 0.000 5.559) 6.372 2.652 ( -0.601 0.000 -2.881) 2.943 2.721 ( 0.891 0.000 2.684) 2.828 2.874 ( -0.022 0.000 -1.424) 1.424 2.921 ( 4.827 0.000 1.154) 4.963 2.921 ( 3.214 0.000 -5.915) 6.732 3.072 ( 4.387 0.000 -6.147) 7.552 3.263 ( 2.682 0.000 8.105) 8.537 3.375 ( -0.952 0.000 4.266) 4.371 3.451 ( -14.318 0.000 -3.325) 14.699 3.726 ( 4.303 0.000 3.816) 5.751 3.786 ( -1.539 0.000 1.731) 2.316 3.851 ( 7.854 0.000 -2.578) 8.266 3.952 ( -7.878 0.000 13.310) 15.466 4.035 ( -10.815 0.000 27.446) 29.500 4.330 ( -11.713 0.000 23.426) 26.191 4.378 ( 3.634 0.000 1.558) 3.954 4.636 ( 6.344 0.000 7.734) 10.003 4.729 ( -0.117 0.000 -3.134) 3.136 5.054 ( -0.946 0.000 3.867) 3.981 5.182 ( 0.229 0.000 -6.051) 6.055 5.416 ( -1.706 0.000 -7.086) 7.288 5.585 ( -0.527 0.000 -2.394) 2.451 5.756 ( -3.680 0.000 -0.724) 3.751 5.786 ( 6.749 0.000 0.511) 6.769 5.887 ( -1.981 0.000 0.883) 2.169 5.981 ( 6.199 0.000 -3.852) 7.299 6.091 ( 1.172 0.000 -4.227) 4.387 6.291 ( -0.039 0.000 6.699) 6.699 6.627 ( -4.808 0.000 1.276) 4.974 6.628 ( 2.377 0.000 0.739) 2.489 6.861 ( 3.062 0.000 3.491) 4.644 6.886 ( 3.606 0.000 -1.148) 3.784 7.020 ( -3.479 0.000 3.499) 4.934 7.088 ( 0.496 0.000 -1.800) 1.867 7.098 ( -1.257 0.000 3.521) 3.738 7.376 ( 6.647 0.000 -3.960) 7.737 7.377 ( 0.397 0.000 -1.280) 1.340 7.635 ( -4.777 0.000 2.224) 5.269 7.693 ( -1.162 0.000 1.998) 2.311 7.899 ( -2.128 0.000 -5.926) 6.297 7.923 ( 1.113 0.000 -7.137) 7.223 7.957 ( 8.789 0.000 -13.773) 16.338 8.092 ( -2.144 0.000 1.731) 2.756 8.252 ( 4.214 0.000 5.348) 6.809 8.282 ( 2.394 0.000 -4.996) 5.540 8.425 ( -6.879 0.000 -3.074) 7.534 8.458 ( -4.423 0.000 -1.269) 4.602 8.633 ( -0.345 0.000 -7.603) 7.611 8.713 ( 9.220 0.000 -1.752) 9.385 8.801 ( -1.962 0.000 -4.579) 4.981 8.932 ( 7.299 0.000 2.712) 7.787 8.971 ( 3.121 0.000 -1.983) 3.697 9.000 ( -3.604 0.000 3.945) 5.343 9.127 ( 7.733 0.000 9.118) 11.955 9.183 ( 1.405 0.000 9.521) 9.624 9.298 ( -10.278 0.000 -4.027) 11.039 9.364 ( -6.984 0.000 1.620) 7.169 9.613 ( -9.523 0.000 2.334) 9.805 9.705 ( -2.452 0.000 9.208) 9.529 9.726 ( -4.856 0.000 2.473) 5.450 9.785 ( -10.389 0.000 5.444) 11.729 9.929 ( -0.727 0.000 9.538) 9.566 10.017 ( 1.234 0.000 -3.479) 3.691 10.214 ( 2.733 0.000 10.605) 10.951 10.363 ( -4.097 0.000 6.846) 7.978 10.506 ( 4.583 0.000 -8.498) 9.655 10.865 ( 7.042 0.000 4.174) 8.187 10.884 ( 4.751 0.000 -16.719) 17.381 10.925 ( 1.711 0.000 -5.965) 6.206 11.039 ( 5.945 0.000 0.011) 5.945 11.095 ( 4.617 0.000 2.488) 5.245 11.353 ( -2.597 0.000 -3.604) 4.442 11.726 ( 1.747 0.000 -0.280) 1.769 11.787 ( 1.534 0.000 0.796) 1.728 11.988 ( -2.298 0.000 7.869) 8.198 12.288 ( -6.197 0.000 7.064) 9.397 12.549 ( 2.947 0.000 9.206) 9.666 12.616 ( -0.820 0.000 0.952) 1.257 12.714 ( -7.389 0.000 7.835) 10.769 12.765 ( 0.072 0.000 -5.617) 5.618 12.876 ( -2.716 0.000 -2.620) 3.773 12.938 ( -1.657 0.000 0.765) 1.825 12.961 ( 1.117 0.000 -0.572) 1.255 13.338 ( 1.062 0.000 -3.200) 3.372 13.748 ( -0.890 0.000 0.778) 1.182 13.786 ( -0.792 0.000 -6.285) 6.335 13.832 ( 4.772 0.000 -8.486) 9.736 14.185 ( 1.413 0.000 -5.365) 5.548 14.212 ( -2.832 0.000 5.625) 6.297 14.778 ( 7.509 0.000 2.387) 7.880 15.377 ( 1.671 0.000 -0.039) 1.672 15.443 ( -4.917 0.000 -6.585) 8.218 15.694 ( -3.688 0.000 -7.391) 8.260 16.037 ( 10.852 0.000 -4.937) 11.922 ======================= Grid point 97 (50/111) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -17.994 0.000 9.362) 20.283 1.250 ( -21.475 0.000 9.088) 23.318 1.596 ( -5.263 0.000 13.155) 14.169 1.768 ( -12.998 0.000 11.610) 17.428 1.905 ( -10.156 0.000 6.909) 12.283 1.932 ( -9.229 0.000 10.246) 13.790 2.165 ( -1.182 0.000 3.719) 3.902 2.230 ( 1.541 0.000 -1.951) 2.486 2.276 ( -1.230 0.000 -1.523) 1.957 2.322 ( -0.444 0.000 5.746) 5.763 2.388 ( -1.047 0.000 4.224) 4.352 2.456 ( -5.587 0.000 3.227) 6.452 2.465 ( 3.862 0.000 4.553) 5.970 2.486 ( 2.277 0.000 6.327) 6.724 2.680 ( 4.604 0.000 -0.223) 4.610 2.699 ( -3.689 0.000 1.183) 3.874 2.870 ( 0.524 0.000 -3.230) 3.272 2.948 ( 3.301 0.000 -6.370) 7.174 2.998 ( 2.179 0.000 1.236) 2.506 3.111 ( 2.665 0.000 -3.927) 4.746 3.278 ( -3.733 0.000 1.350) 3.970 3.386 ( 3.935 0.000 8.620) 9.476 3.421 ( 2.348 0.000 5.452) 5.936 3.656 ( -9.865 0.000 -1.349) 9.957 3.829 ( 5.290 0.000 2.043) 5.670 3.967 ( 0.433 0.000 5.874) 5.890 3.987 ( 6.779 0.000 -3.682) 7.714 3.990 ( -10.373 0.000 32.913) 34.509 4.273 ( -8.480 0.000 26.654) 27.971 4.417 ( -1.083 0.000 2.697) 2.906 4.714 ( 1.739 0.000 -8.044) 8.230 4.765 ( 2.733 0.000 5.202) 5.877 5.023 ( -4.866 0.000 4.758) 6.806 5.189 ( 4.018 0.000 -5.665) 6.945 5.401 ( 3.599 0.000 -2.339) 4.292 5.585 ( 1.882 0.000 -1.646) 2.501 5.689 ( -3.181 0.000 1.676) 3.595 5.833 ( -3.770 0.000 0.102) 3.771 5.917 ( 6.733 0.000 -2.567) 7.206 6.083 ( 6.968 0.000 -6.976) 9.860 6.103 ( 1.942 0.000 -3.137) 3.689 6.284 ( -5.608 0.000 6.136) 8.313 6.572 ( -0.183 0.000 -2.118) 2.126 6.645 ( -0.135 0.000 -0.928) 0.938 6.877 ( -3.500 0.000 -3.241) 4.770 6.937 ( 2.113 0.000 7.132) 7.438 6.956 ( -2.028 0.000 -2.494) 3.214 7.105 ( -0.275 0.000 4.124) 4.133 7.177 ( 4.331 0.000 12.001) 12.758 7.348 ( -1.843 0.000 -3.858) 4.275 7.519 ( 8.204 0.000 -5.842) 10.071 7.553 ( -1.138 0.000 0.545) 1.261 7.647 ( -3.712 0.000 -1.397) 3.966 7.721 ( -8.575 0.000 -2.599) 8.960 7.827 ( -5.134 0.000 -6.136) 8.001 8.032 ( -0.501 0.000 -12.604) 12.614 8.114 ( 1.643 0.000 -5.936) 6.159 8.209 ( -1.944 0.000 0.166) 1.951 8.284 ( -2.558 0.000 1.372) 2.903 8.357 ( -0.460 0.000 -7.037) 7.052 8.426 ( 3.027 0.000 -1.874) 3.561 8.587 ( 0.851 0.000 -9.024) 9.064 8.715 ( -2.544 0.000 -11.415) 11.695 8.771 ( -1.471 0.000 1.259) 1.936 8.935 ( -2.293 0.000 -0.559) 2.360 8.980 ( -15.548 0.000 -2.787) 15.796 9.026 ( 3.781 0.000 0.444) 3.807 9.088 ( 1.196 0.000 6.779) 6.883 9.259 ( 3.325 0.000 4.940) 5.955 9.314 ( -0.924 0.000 6.022) 6.093 9.391 ( 7.985 0.000 14.260) 16.343 9.456 ( -6.888 0.000 2.419) 7.301 9.658 ( -4.414 0.000 3.836) 5.848 9.701 ( -3.110 0.000 10.510) 10.960 9.760 ( 3.646 0.000 7.584) 8.415 10.002 ( -1.103 0.000 -1.423) 1.801 10.057 ( 6.529 0.000 11.997) 13.659 10.266 ( -3.199 0.000 11.038) 11.492 10.267 ( -8.106 0.000 5.223) 9.643 10.630 ( 13.337 0.000 -7.879) 15.491 10.824 ( -0.803 0.000 -12.325) 12.351 11.026 ( 9.306 0.000 -5.286) 10.702 11.039 ( 6.955 0.000 4.423) 8.243 11.143 ( 4.990 0.000 -1.752) 5.288 11.234 ( 8.035 0.000 0.762) 8.071 11.264 ( -4.237 0.000 -5.073) 6.610 11.727 ( -0.376 0.000 -3.691) 3.710 11.815 ( 0.234 0.000 3.066) 3.075 12.072 ( 4.227 0.000 13.889) 14.518 12.198 ( -6.725 0.000 5.334) 8.583 12.570 ( -1.939 0.000 -1.255) 2.309 12.574 ( -7.410 0.000 1.985) 7.671 12.675 ( 0.433 0.000 15.514) 15.520 12.771 ( 2.365 0.000 -2.797) 3.663 12.832 ( -1.612 0.000 0.597) 1.719 12.897 ( -2.257 0.000 -1.517) 2.720 12.977 ( 0.983 0.000 -0.870) 1.312 13.336 ( 1.054 0.000 -2.594) 2.800 13.704 ( -1.581 0.000 -6.684) 6.869 13.749 ( -1.443 0.000 1.373) 1.991 13.892 ( 5.098 0.000 -5.104) 7.214 14.186 ( 1.628 0.000 -5.249) 5.496 14.220 ( -0.022 0.000 6.241) 6.241 14.948 ( 8.579 0.000 2.047) 8.820 15.305 ( -5.601 0.000 -5.350) 7.745 15.406 ( 1.362 0.000 -0.442) 1.432 15.551 ( -6.906 0.000 -7.049) 9.868 16.216 ( 10.979 0.000 -7.920) 13.537 ======================= Grid point 98 (51/111) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -13.912 0.000 16.794) 21.808 0.932 ( -15.883 0.000 18.431) 24.331 1.596 ( -6.675 0.000 21.570) 22.579 1.640 ( -5.169 0.000 8.277) 9.759 1.667 ( -15.817 0.000 28.803) 32.861 1.935 ( -1.134 0.000 -0.997) 1.510 2.171 ( -1.262 0.000 1.304) 1.815 2.229 ( -1.838 0.000 -3.026) 3.540 2.269 ( 3.374 0.000 -0.641) 3.434 2.349 ( 0.052 0.000 5.392) 5.392 2.390 ( -2.297 0.000 3.719) 4.371 2.429 ( 3.063 0.000 4.330) 5.304 2.511 ( -0.870 0.000 7.821) 7.869 2.586 ( 1.799 0.000 0.682) 1.924 2.644 ( -0.436 0.000 2.329) 2.369 2.744 ( -0.493 0.000 0.122) 0.508 2.850 ( 0.782 0.000 -2.102) 2.242 2.972 ( 2.959 0.000 -5.809) 6.519 3.025 ( 0.042 0.000 0.562) 0.564 3.113 ( -1.112 0.000 -1.894) 2.197 3.238 ( -3.142 0.000 4.802) 5.739 3.501 ( -2.295 0.000 0.651) 2.386 3.503 ( 2.801 0.000 5.465) 6.141 3.521 ( 3.235 0.000 7.706) 8.357 3.919 ( 2.340 0.000 -5.147) 5.654 3.942 ( -6.758 0.000 17.983) 19.211 4.033 ( -5.238 0.000 23.133) 23.718 4.073 ( 5.539 0.000 0.149) 5.541 4.308 ( -3.620 0.000 23.591) 23.868 4.346 ( -7.169 0.000 -2.160) 7.488 4.730 ( 5.805 0.000 -8.468) 10.267 4.802 ( -1.384 0.000 5.629) 5.797 4.923 ( -7.966 0.000 2.725) 8.419 5.271 ( 6.992 0.000 -3.233) 7.703 5.521 ( 8.197 0.000 1.840) 8.401 5.628 ( 3.265 0.000 -1.376) 3.543 5.644 ( -2.777 0.000 0.762) 2.879 5.767 ( -2.966 0.000 1.636) 3.388 5.987 ( 2.256 0.000 -5.217) 5.684 6.120 ( -0.198 0.000 -2.170) 2.179 6.155 ( 4.964 0.000 -7.977) 9.395 6.160 ( -7.754 0.000 3.918) 8.688 6.578 ( 1.889 0.000 -3.531) 4.004 6.641 ( 0.967 0.000 -1.409) 1.709 6.792 ( -2.085 0.000 -1.622) 2.642 6.895 ( -3.772 0.000 -1.242) 3.971 7.012 ( 0.601 0.000 4.945) 4.981 7.114 ( -4.151 0.000 7.034) 8.168 7.256 ( -3.384 0.000 -7.031) 7.803 7.264 ( -4.128 0.000 9.711) 10.552 7.496 ( -5.755 0.000 -0.565) 5.782 7.523 ( 1.552 0.000 0.159) 1.560 7.708 ( 3.901 0.000 -3.684) 5.366 7.722 ( 6.503 0.000 4.314) 7.804 7.752 ( 8.120 0.000 -6.169) 10.198 7.869 ( -5.751 0.000 -8.892) 10.590 8.028 ( -0.966 0.000 -10.800) 10.843 8.216 ( 0.306 0.000 -2.863) 2.879 8.282 ( -2.468 0.000 -8.721) 9.064 8.320 ( 3.819 0.000 -0.832) 3.908 8.401 ( -2.766 0.000 -11.257) 11.592 8.560 ( -6.806 0.000 -9.218) 11.458 8.566 ( 2.307 0.000 -10.228) 10.485 8.745 ( -5.557 0.000 -4.537) 7.174 8.752 ( -1.494 0.000 4.594) 4.831 8.904 ( -2.204 0.000 0.283) 2.222 9.056 ( -7.092 0.000 11.240) 13.290 9.132 ( 5.093 0.000 5.950) 7.832 9.327 ( 0.709 0.000 4.873) 4.924 9.340 ( -5.831 0.000 4.948) 7.647 9.369 ( 1.963 0.000 2.863) 3.471 9.609 ( 5.047 0.000 12.278) 13.275 9.618 ( -1.611 0.000 2.017) 2.581 9.754 ( 2.327 0.000 8.025) 8.355 9.891 ( 4.175 0.000 4.968) 6.490 9.971 ( -3.329 0.000 5.715) 6.614 10.167 ( -3.070 0.000 2.416) 3.906 10.233 ( -4.905 0.000 10.942) 11.991 10.299 ( 7.901 0.000 15.416) 17.323 10.729 ( -2.933 0.000 -8.312) 8.814 10.878 ( 15.871 0.000 -6.608) 17.192 11.121 ( 1.404 0.000 -4.121) 4.353 11.129 ( -1.727 0.000 -4.678) 4.987 11.149 ( -1.797 0.000 -0.642) 1.909 11.227 ( 8.048 0.000 -9.435) 12.401 11.392 ( 7.402 0.000 2.542) 7.827 11.686 ( -1.902 0.000 -3.258) 3.772 11.812 ( -3.482 0.000 4.715) 5.861 12.080 ( -7.494 0.000 4.285) 8.633 12.246 ( 1.611 0.000 13.256) 13.354 12.442 ( -4.829 0.000 3.510) 5.970 12.588 ( 4.199 0.000 -1.622) 4.501 12.782 ( -0.321 0.000 -1.129) 1.174 12.799 ( 2.735 0.000 16.421) 16.647 12.813 ( -1.567 0.000 -2.441) 2.900 12.848 ( -0.514 0.000 -1.803) 1.874 12.989 ( 0.911 0.000 -0.997) 1.351 13.366 ( 2.859 0.000 -0.715) 2.947 13.644 ( -0.659 0.000 -5.503) 5.542 13.742 ( 0.059 0.000 1.628) 1.629 13.953 ( 3.019 0.000 -2.175) 3.721 14.182 ( 1.121 0.000 -5.811) 5.918 14.270 ( 0.903 0.000 7.398) 7.453 15.077 ( 1.591 0.000 -4.123) 4.420 15.219 ( 1.803 0.000 0.097) 1.806 15.386 ( -5.705 0.000 0.260) 5.711 15.419 ( 0.439 0.000 -1.335) 1.405 16.335 ( 6.539 0.000 -11.652) 13.361 ======================= Grid point 99 (52/111) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -3.957 16.799 15.086) 22.923 1.077 ( 5.952 9.779 20.734) 23.685 1.510 ( -4.503 -6.779 17.038) 18.882 1.571 ( -2.194 -8.479 14.870) 17.257 1.725 ( -1.029 3.762 26.572) 26.857 1.871 ( -2.244 -0.297 1.033) 2.488 2.129 ( -0.868 -1.075 -0.435) 1.449 2.173 ( 0.068 -2.179 -1.656) 2.738 2.330 ( 0.439 0.286 0.332) 0.621 2.369 ( -0.014 -0.925 3.338) 3.464 2.435 ( -0.250 3.883 2.229) 4.484 2.514 ( -2.387 1.679 6.956) 7.544 2.555 ( -0.309 2.419 2.298) 3.350 2.573 ( -1.284 1.641 0.681) 2.192 2.665 ( 0.056 -1.483 1.195) 1.905 2.738 ( 3.149 0.904 0.531) 3.319 2.792 ( -2.086 -5.758 4.004) 7.317 2.960 ( 0.546 -5.198 -2.314) 5.716 3.003 ( 2.102 -0.199 -2.172) 3.030 3.059 ( 0.641 -0.671 -1.301) 1.598 3.264 ( -2.296 3.828 3.496) 5.670 3.451 ( 1.750 -4.573 4.478) 6.635 3.602 ( 2.066 0.850 6.095) 6.491 3.651 ( 3.191 -0.214 9.969) 10.469 3.877 ( -6.800 1.733 1.032) 7.093 3.914 ( -6.949 -2.629 20.050) 21.382 3.965 ( -2.908 -2.327 2.120) 4.286 4.138 ( 0.930 -5.253 0.679) 5.378 4.255 ( -7.178 7.103 5.957) 11.724 4.377 ( -4.149 -0.068 16.243) 16.764 4.700 ( -6.289 -2.807 -1.178) 6.987 4.724 ( 1.979 -4.201 4.663) 6.581 4.963 ( 4.401 7.804 -0.241) 8.963 5.320 ( 6.414 -9.605 -2.061) 11.732 5.551 ( -0.608 2.522 2.606) 3.677 5.658 ( 2.403 -0.193 -2.368) 3.379 5.719 ( -2.084 0.406 1.340) 2.511 5.774 ( 2.090 -1.133 2.486) 3.440 5.994 ( -2.427 5.773 -4.428) 7.669 6.022 ( -3.785 2.127 -0.745) 4.405 6.106 ( 0.753 -0.787 -3.184) 3.366 6.203 ( 2.595 -1.191 -4.846) 5.624 6.637 ( 1.354 2.106 -1.955) 3.177 6.691 ( 1.598 2.572 -3.545) 4.662 6.740 ( -2.291 -2.583 -3.064) 4.616 6.795 ( -0.561 -2.319 0.892) 2.547 6.988 ( -7.701 5.069 1.544) 9.348 7.050 ( -1.994 1.772 3.286) 4.233 7.245 ( -2.024 2.282 5.573) 6.353 7.325 ( 5.072 4.546 0.698) 6.847 7.405 ( -1.779 -1.967 -1.241) 2.928 7.463 ( -3.348 -0.282 -2.902) 4.440 7.757 ( 1.496 0.577 -8.054) 8.212 7.811 ( 6.272 -3.523 -5.018) 8.771 7.920 ( 4.572 4.647 -2.019) 6.825 7.960 ( 9.471 -0.159 0.115) 9.473 8.069 ( 8.257 -0.184 -8.687) 11.987 8.134 ( -1.605 -1.323 -6.680) 6.996 8.181 ( -2.646 2.184 -8.660) 9.315 8.310 ( -1.952 -2.352 -5.173) 6.009 8.358 ( 0.596 5.989 -9.325) 11.099 8.457 ( 0.216 3.146 -8.283) 8.863 8.605 ( -3.686 -0.271 -2.762) 4.614 8.696 ( -1.181 4.216 3.493) 5.601 8.779 ( -5.597 -1.502 -0.651) 5.831 8.828 ( -0.925 10.465 -0.889) 10.543 9.039 ( -1.318 -2.033 9.793) 10.088 9.191 ( 0.717 -1.774 6.926) 7.186 9.277 ( 1.247 -3.777 6.252) 7.410 9.358 ( 0.116 -4.502 2.432) 5.118 9.489 ( 0.314 9.592 4.747) 10.707 9.558 ( 1.850 -2.488 3.656) 4.794 9.707 ( -6.008 0.940 9.759) 11.498 9.803 ( 2.978 -4.243 11.835) 12.920 9.858 ( -6.390 -4.297 9.260) 12.043 9.981 ( 2.688 -6.928 -3.400) 8.172 10.137 ( 1.318 3.163 7.760) 8.482 10.224 ( -7.061 8.057 6.966) 12.779 10.466 ( 1.115 -6.515 11.409) 13.186 10.677 ( 0.809 2.723 5.534) 6.221 10.924 ( 4.838 -12.216 -2.571) 13.389 10.957 ( -4.217 -14.103 -1.432) 14.790 11.059 ( -0.735 -0.256 -5.945) 5.996 11.214 ( 7.727 1.611 -6.224) 10.052 11.275 ( 2.426 -2.493 -5.103) 6.175 11.360 ( 0.434 -14.558 2.274) 14.741 11.617 ( 0.815 4.194 5.246) 6.765 11.735 ( -6.310 -0.194 3.795) 7.366 11.955 ( -6.638 -0.361 6.895) 9.578 12.137 ( -5.127 -7.107 8.648) 12.312 12.374 ( -0.069 -9.301 5.031) 10.575 12.448 ( -3.074 -15.036 3.883) 15.830 12.635 ( 0.883 -1.564 0.885) 2.002 12.637 ( 1.770 -7.628 3.965) 8.777 12.801 ( -0.471 1.341 -5.082) 5.277 12.866 ( 3.313 1.693 -1.833) 4.147 13.321 ( 3.491 12.003 6.336) 14.015 13.462 ( 3.488 5.963 3.400) 7.700 13.676 ( -0.037 7.859 -0.983) 7.920 13.770 ( 1.270 1.365 1.032) 2.131 13.997 ( 2.602 -10.632 -1.077) 10.999 14.204 ( 0.003 -4.674 4.742) 6.659 14.377 ( -2.668 17.903 -5.524) 18.925 14.909 ( -6.518 -6.084 -6.803) 11.216 15.331 ( 6.489 0.274 0.915) 6.559 15.403 ( 5.178 -1.896 6.249) 8.335 15.752 ( 1.851 23.801 -12.909) 27.140 16.272 ( -0.325 -5.428 -14.334) 15.331 ======================= Grid point 100 (53/111) ======================= q-point: ( 0.11 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 7.709 10.986 14.643) 19.863 1.345 ( 9.009 4.642 19.323) 21.819 1.551 ( -0.306 -6.433 14.422) 15.795 1.645 ( 1.547 -9.272 15.707) 18.305 1.844 ( 1.874 3.142 1.071) 3.812 1.960 ( 6.639 -0.555 11.137) 12.978 2.143 ( 3.395 0.821 5.219) 6.280 2.171 ( -0.032 0.687 -0.812) 1.064 2.326 ( -0.599 0.950 -1.490) 1.866 2.371 ( -1.572 -1.404 1.277) 2.464 2.443 ( -0.659 2.634 3.725) 4.610 2.504 ( -3.297 2.063 8.237) 9.109 2.527 ( -3.989 6.212 0.055) 7.383 2.544 ( 0.133 2.911 1.900) 3.479 2.714 ( 1.987 -2.194 2.253) 3.720 2.753 ( -2.957 -4.044 2.663) 5.674 2.792 ( 1.248 -1.593 2.207) 2.994 2.943 ( -0.320 -6.194 -2.184) 6.575 3.010 ( -0.330 -1.449 -2.953) 3.306 3.074 ( -0.012 -2.983 -2.561) 3.932 3.244 ( -0.370 4.451 4.799) 6.556 3.498 ( -2.472 -6.449 5.558) 8.865 3.598 ( -3.961 0.806 4.417) 5.987 3.684 ( -5.633 -1.443 -1.025) 5.905 3.825 ( 1.957 4.695 13.239) 14.183 3.903 ( -1.992 -3.158 4.548) 5.884 3.952 ( -1.561 -1.815 10.351) 10.624 4.121 ( -2.187 -8.054 2.686) 8.767 4.211 ( -4.311 6.965 14.919) 17.020 4.393 ( -4.386 -2.342 18.541) 19.196 4.559 ( -6.656 3.701 -3.723) 8.477 4.775 ( -0.454 -6.331 3.513) 7.254 5.052 ( 3.732 7.588 1.602) 8.606 5.390 ( 1.698 -8.048 -0.615) 8.248 5.527 ( -1.872 5.017 -2.176) 5.780 5.685 ( -0.782 -3.076 -1.189) 3.390 5.708 ( 1.310 0.594 0.859) 1.675 5.797 ( 1.934 -3.097 -0.962) 3.775 5.923 ( -1.412 6.238 -1.807) 6.646 6.021 ( 1.280 0.177 0.764) 1.502 6.096 ( 1.103 2.325 -2.870) 3.854 6.227 ( 1.603 -0.948 -0.981) 2.105 6.609 ( -1.945 -1.407 -2.563) 3.512 6.645 ( -3.576 -2.152 -4.393) 6.060 6.746 ( 4.542 3.529 -1.926) 6.066 6.809 ( 0.835 3.199 -1.065) 3.473 6.890 ( -4.254 5.028 2.110) 6.916 7.013 ( -3.637 0.803 2.559) 4.519 7.279 ( 1.850 1.262 4.809) 5.305 7.387 ( 2.143 1.338 -3.149) 4.037 7.401 ( 1.485 -0.833 -2.675) 3.171 7.420 ( 0.651 0.561 -1.834) 2.025 7.715 ( -0.505 2.111 -10.744) 10.961 7.776 ( -2.938 1.767 -8.810) 9.453 7.871 ( -8.273 0.486 -3.589) 9.031 7.966 ( -4.575 3.954 -9.074) 10.904 8.069 ( 3.727 -1.010 0.677) 3.920 8.171 ( 3.909 -6.333 -11.192) 13.440 8.218 ( 2.543 0.612 -4.230) 4.974 8.304 ( 3.330 -1.955 -5.169) 6.452 8.409 ( -2.184 1.869 -4.316) 5.185 8.522 ( 16.203 5.966 0.872) 17.288 8.556 ( 3.137 -3.330 -3.395) 5.697 8.653 ( -1.294 0.723 -1.081) 1.835 8.732 ( 2.093 10.670 -0.022) 10.873 8.922 ( 7.778 5.935 4.449) 10.748 9.078 ( -0.046 -3.586 8.461) 9.190 9.228 ( -1.076 3.440 4.982) 6.149 9.321 ( -2.417 -7.265 6.303) 9.917 9.396 ( 1.957 6.637 3.377) 7.700 9.538 ( 0.012 -3.202 6.841) 7.553 9.603 ( -3.695 -2.097 6.658) 7.898 9.651 ( 3.043 1.661 4.337) 5.553 9.784 ( -5.632 -4.410 5.770) 9.190 9.911 ( -0.329 -0.375 12.747) 12.757 10.011 ( 1.541 -5.302 0.127) 5.523 10.109 ( -5.064 1.565 -0.030) 5.300 10.175 ( -1.568 4.851 3.816) 6.368 10.446 ( -4.373 -2.484 4.626) 6.833 10.651 ( -11.304 -6.084 7.269) 14.753 10.922 ( 3.307 0.562 -2.106) 3.960 11.001 ( 1.472 -7.686 1.553) 7.978 11.020 ( 1.968 -1.172 -2.437) 3.344 11.231 ( -2.814 -4.042 -1.275) 5.087 11.331 ( 3.741 1.095 -5.767) 6.961 11.402 ( 4.558 -6.243 -3.696) 8.568 11.597 ( -6.452 0.426 5.793) 8.681 11.647 ( -4.558 0.432 3.965) 6.057 11.914 ( -1.409 2.309 7.459) 7.935 12.088 ( -3.478 -4.289 6.028) 8.174 12.422 ( -0.690 -16.904 4.038) 17.393 12.429 ( 0.887 -14.029 3.958) 14.604 12.661 ( -0.389 -2.658 1.623) 3.138 12.688 ( 1.247 -6.661 2.095) 7.093 12.783 ( 3.070 4.183 -6.023) 7.950 12.934 ( 4.560 1.210 -1.874) 5.076 13.379 ( 0.416 7.166 1.201) 7.278 13.544 ( 0.926 13.909 7.808) 15.977 13.672 ( 0.445 6.199 -0.739) 6.259 13.811 ( 1.982 0.620 0.344) 2.105 14.047 ( 3.664 -9.184 -3.441) 10.470 14.188 ( -2.408 7.687 -1.850) 8.265 14.320 ( -1.983 2.434 3.530) 4.724 14.747 ( -6.243 -5.886 -4.844) 9.853 15.434 ( 3.276 3.281 -1.311) 4.818 15.544 ( 5.496 -1.958 3.990) 7.069 15.709 ( 1.700 14.775 -9.818) 17.821 16.131 ( -5.316 -5.357 -13.405) 15.384 ======================= Grid point 101 (54/111) ======================= q-point: ( 0.22 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 12.261 8.009 10.681) 18.127 1.622 ( 9.138 0.569 15.789) 18.251 1.678 ( 4.997 -3.420 14.204) 15.441 1.765 ( 3.199 -3.643 8.847) 10.088 1.969 ( 9.024 -0.872 6.802) 11.334 2.034 ( 2.586 -4.073 -3.649) 6.050 2.171 ( 0.565 2.520 0.013) 2.583 2.274 ( -1.268 0.536 3.334) 3.607 2.297 ( -5.983 2.371 0.729) 6.477 2.306 ( 0.951 -1.285 0.609) 1.711 2.430 ( -2.521 1.826 3.279) 4.521 2.458 ( -3.081 2.917 3.881) 5.750 2.505 ( -2.745 0.849 7.032) 7.596 2.561 ( -1.293 1.400 4.080) 4.503 2.728 ( -1.765 -0.331 -1.109) 2.111 2.741 ( 0.585 1.339 2.834) 3.188 2.811 ( 0.724 -0.656 2.537) 2.719 2.913 ( -1.239 -3.430 -3.978) 5.396 2.972 ( -2.583 -2.943 -1.015) 4.045 3.020 ( -1.908 -3.107 -4.957) 6.153 3.313 ( 1.857 -0.463 7.228) 7.477 3.375 ( -7.724 -4.859 0.885) 9.168 3.593 ( -2.554 1.765 2.339) 3.887 3.606 ( -0.854 0.744 4.721) 4.855 3.864 ( -1.920 -4.670 2.422) 5.600 3.936 ( -0.792 -5.098 1.858) 5.483 4.015 ( 0.762 1.354 20.765) 20.823 4.115 ( -3.126 -2.346 10.344) 11.058 4.236 ( -1.623 5.529 13.524) 14.701 4.353 ( -6.800 5.327 7.572) 11.487 4.492 ( -1.577 -1.219 8.553) 8.783 4.751 ( -2.488 -10.008 1.346) 10.400 5.098 ( -0.716 8.264 4.329) 9.357 5.378 ( -2.472 -3.324 -3.322) 5.310 5.485 ( 1.412 3.193 -3.800) 5.160 5.665 ( 1.341 -0.235 -3.897) 4.128 5.737 ( 0.251 1.496 1.321) 2.012 5.853 ( 3.005 -4.352 -2.069) 5.678 5.913 ( 1.197 3.880 -0.967) 4.174 6.044 ( -0.195 -2.643 3.334) 4.259 6.123 ( 2.188 2.298 -1.776) 3.636 6.247 ( 0.110 -0.445 -0.467) 0.655 6.566 ( -2.026 0.317 -2.803) 3.473 6.573 ( -0.942 0.248 1.507) 1.795 6.771 ( -4.256 7.893 -0.225) 8.970 6.815 ( 3.757 2.857 -2.563) 5.371 6.879 ( 3.621 0.983 -2.404) 4.456 6.961 ( -2.857 -1.702 2.240) 4.009 7.327 ( -1.226 -2.172 -0.498) 2.543 7.341 ( -3.494 -2.645 -3.813) 5.808 7.390 ( -2.231 0.303 -1.864) 2.923 7.444 ( 1.211 -0.716 0.821) 1.629 7.627 ( -3.539 6.957 -2.601) 8.227 7.663 ( -0.207 4.078 -3.035) 5.088 7.757 ( -2.094 -0.492 -3.674) 4.257 7.882 ( 1.451 5.819 -9.810) 11.498 8.094 ( 1.518 -6.383 -2.386) 6.982 8.160 ( 4.345 -10.021 -10.595) 15.217 8.276 ( -3.170 2.789 3.695) 5.611 8.291 ( -3.015 0.998 -3.005) 4.373 8.371 ( 4.854 -1.698 0.875) 5.216 8.600 ( 1.984 -4.737 -1.937) 5.488 8.678 ( 6.365 8.024 -8.961) 13.609 8.749 ( 7.575 7.686 -5.570) 12.144 8.855 ( 7.109 8.444 2.161) 11.248 9.081 ( 2.142 1.719 3.926) 4.791 9.145 ( 2.808 0.649 5.048) 5.813 9.183 ( -4.205 3.270 0.560) 5.356 9.261 ( -6.646 -2.900 6.514) 9.748 9.409 ( -2.715 2.260 6.551) 7.443 9.536 ( -1.638 5.267 7.834) 9.581 9.675 ( -0.284 -7.786 3.035) 8.362 9.720 ( 1.857 -3.104 2.268) 4.269 9.764 ( 6.548 -2.226 1.542) 7.086 9.935 ( -2.495 4.042 11.971) 12.879 9.997 ( -3.894 -0.684 6.336) 7.469 10.073 ( 0.088 -2.127 -3.938) 4.476 10.189 ( 3.263 -5.497 -1.103) 6.488 10.418 ( -0.869 0.760 3.307) 3.503 10.448 ( -10.916 -2.426 4.006) 11.878 10.852 ( -5.651 2.771 -4.632) 7.814 11.018 ( -1.383 -5.365 -3.856) 6.750 11.110 ( 3.426 -3.584 4.984) 7.030 11.193 ( -2.514 -1.728 0.985) 3.205 11.302 ( -0.253 0.715 -3.415) 3.499 11.430 ( -1.335 0.110 -4.032) 4.249 11.524 ( -3.366 -1.020 2.805) 4.499 11.605 ( -0.765 -0.225 4.857) 4.922 11.967 ( 2.055 2.057 7.089) 7.662 12.082 ( -0.786 -2.290 5.422) 5.938 12.421 ( -0.984 -17.265 4.119) 17.777 12.474 ( 0.439 -12.451 3.532) 12.950 12.630 ( -2.881 -1.457 1.101) 3.411 12.698 ( 0.180 -9.696 -0.867) 9.736 12.860 ( 6.649 5.181 -4.184) 9.410 13.011 ( 4.762 1.142 -2.923) 5.703 13.364 ( -1.255 6.462 -2.607) 7.080 13.550 ( -5.956 20.402 10.716) 23.802 13.692 ( 1.380 -1.081 -0.510) 1.826 13.840 ( 2.354 3.505 -3.330) 5.377 14.088 ( 3.216 -6.546 -5.652) 9.227 14.126 ( -1.724 11.573 -4.668) 12.597 14.317 ( -2.216 -4.844 7.382) 9.103 14.627 ( -4.003 -6.163 -3.040) 7.953 15.434 ( -0.874 7.749 -3.533) 8.561 15.637 ( 2.656 -1.765 0.396) 3.213 15.728 ( 4.195 3.954 -5.746) 8.139 15.956 ( -5.101 -4.190 -10.199) 12.149 ======================= Grid point 102 (55/111) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 11.299 6.640 6.559) 14.656 1.835 ( 6.657 -2.901 4.322) 8.451 1.876 ( 4.638 0.559 12.790) 13.617 1.895 ( 6.048 -0.802 12.089) 13.541 2.073 ( 0.378 1.905 -1.261) 2.316 2.148 ( -4.558 1.215 0.972) 4.817 2.165 ( 4.053 -0.896 0.290) 4.161 2.193 ( -3.142 -0.319 2.866) 4.265 2.237 ( 1.756 0.348 4.980) 5.292 2.299 ( -2.284 0.335 -2.153) 3.157 2.411 ( -2.607 1.063 5.154) 5.873 2.442 ( -0.571 -2.032 6.468) 6.804 2.462 ( -3.477 -1.353 4.045) 5.503 2.526 ( -4.535 -1.200 4.191) 6.291 2.675 ( -1.987 1.685 -0.491) 2.651 2.736 ( -2.797 0.546 1.206) 3.095 2.821 ( -3.085 -0.136 -3.941) 5.007 2.860 ( -0.666 0.878 -0.027) 1.102 2.937 ( -0.285 -3.220 -2.223) 3.923 2.951 ( -1.602 -2.999 -5.701) 6.638 3.288 ( -1.681 -4.984 2.075) 5.655 3.336 ( -3.994 -3.447 5.949) 7.951 3.563 ( -2.496 3.309 3.447) 5.391 3.654 ( 3.114 3.511 3.777) 6.024 3.813 ( -4.473 -6.285 2.470) 8.100 3.950 ( 1.774 -8.111 1.306) 8.405 4.095 ( -4.272 2.658 14.211) 15.075 4.117 ( -5.800 1.953 26.226) 26.930 4.279 ( -1.102 3.343 6.623) 7.501 4.328 ( 0.670 8.104 4.118) 9.115 4.509 ( -3.586 -3.955 12.087) 13.213 4.726 ( -0.571 -9.723 0.735) 9.767 5.097 ( -0.850 7.373 2.936) 7.981 5.307 ( -0.852 -1.017 -5.898) 6.045 5.519 ( 2.456 0.086 -3.635) 4.388 5.680 ( 2.705 1.551 -5.493) 6.316 5.723 ( -2.270 5.310 1.685) 6.016 5.859 ( -1.822 0.733 -1.117) 2.259 5.916 ( -0.682 -2.327 -3.845) 4.546 6.045 ( -1.935 -6.347 5.327) 8.509 6.148 ( 1.273 1.848 -0.716) 2.356 6.211 ( -2.345 0.040 0.841) 2.491 6.547 ( 0.886 3.218 -1.409) 3.623 6.600 ( 1.108 1.464 4.535) 4.893 6.706 ( -1.413 4.778 -0.063) 4.983 6.867 ( -0.028 0.425 -0.068) 0.431 6.915 ( 0.822 -1.317 -0.795) 1.744 6.982 ( 7.517 0.599 -3.995) 8.533 7.218 ( -2.521 -2.213 -3.428) 4.796 7.251 ( -4.881 0.608 -3.013) 5.768 7.344 ( -3.611 -2.733 5.182) 6.882 7.446 ( -1.144 -2.945 1.424) 3.465 7.645 ( 3.116 8.087 2.616) 9.053 7.699 ( 4.915 3.066 -3.154) 6.596 7.746 ( 1.906 0.157 -1.574) 2.477 7.908 ( 6.370 5.359 -7.431) 11.159 8.092 ( -1.546 -4.856 -2.071) 5.501 8.177 ( -3.396 -5.067 -0.242) 6.105 8.230 ( 1.751 -2.130 -5.936) 6.545 8.249 ( 3.776 -2.939 -2.965) 5.629 8.479 ( 4.831 1.755 0.999) 5.236 8.601 ( -0.926 -2.684 0.427) 2.871 8.743 ( 3.499 8.125 -5.218) 10.270 8.818 ( 2.749 4.092 -3.879) 6.272 8.941 ( 0.808 3.435 1.417) 3.803 9.048 ( -5.283 0.505 -0.374) 5.320 9.085 ( -3.625 0.363 -0.067) 3.643 9.137 ( -3.470 1.513 1.373) 4.027 9.256 ( 0.303 7.768 1.792) 7.978 9.381 ( -4.612 1.473 7.736) 9.126 9.524 ( -2.018 3.964 4.486) 6.317 9.680 ( -0.206 -7.286 6.052) 9.474 9.784 ( 3.350 0.781 2.424) 4.208 9.911 ( -2.616 -3.121 1.694) 4.411 9.977 ( 4.158 1.647 4.740) 6.517 10.014 ( 5.674 0.538 4.987) 7.573 10.064 ( 0.890 2.269 -0.659) 2.525 10.177 ( -4.661 -7.561 2.547) 9.240 10.331 ( -4.376 2.107 2.556) 5.488 10.464 ( 4.643 -4.433 -1.944) 6.707 10.687 ( -9.690 3.012 -0.651) 10.168 10.946 ( -2.263 -5.719 -7.087) 9.384 11.091 ( -5.195 1.639 -4.923) 7.342 11.140 ( -1.953 -4.140 0.824) 4.651 11.302 ( -1.717 -1.796 -3.563) 4.344 11.375 ( -1.313 -4.699 2.581) 5.520 11.506 ( 0.964 2.652 1.530) 3.210 11.648 ( 2.468 0.796 0.551) 2.651 12.067 ( 3.472 0.745 8.859) 9.544 12.101 ( -0.723 -0.045 4.503) 4.561 12.434 ( -0.126 -13.461 4.728) 14.268 12.482 ( -1.973 -12.422 4.585) 13.388 12.590 ( -1.107 -1.111 0.165) 1.577 12.700 ( 0.513 -11.497 -0.464) 11.518 12.952 ( 4.635 5.370 -3.196) 7.781 13.076 ( 4.221 -0.574 -5.824) 7.216 13.315 ( -1.584 6.984 -3.388) 7.923 13.444 ( -10.373 18.027 8.585) 22.501 13.709 ( 0.535 0.798 1.512) 1.792 13.872 ( 3.539 5.467 -6.311) 9.069 14.069 ( -1.124 11.911 -6.042) 13.403 14.112 ( 2.910 -5.424 -5.715) 8.399 14.307 ( -3.408 -6.030 7.437) 10.163 14.557 ( -1.908 -6.020 -1.882) 6.590 15.399 ( -0.381 7.053 -3.069) 7.701 15.649 ( -0.286 -3.170 -3.050) 4.408 15.771 ( 3.116 0.365 -5.225) 6.095 15.846 ( -1.294 -1.375 -6.210) 6.491 ======================= Grid point 103 (56/111) ======================= q-point: (-0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 7.179 4.699 3.763) 9.369 1.868 ( -8.653 5.040 -0.095) 10.014 1.938 ( 0.887 0.946 0.862) 1.557 2.035 ( -2.715 -1.427 8.024) 8.590 2.078 ( 1.406 -0.182 9.772) 9.875 2.097 ( -2.978 0.349 6.318) 6.993 2.120 ( -3.321 0.009 5.283) 6.241 2.208 ( -4.484 -0.100 0.076) 4.486 2.259 ( 2.843 -0.288 1.148) 3.079 2.281 ( 1.488 0.279 0.003) 1.514 2.389 ( -1.160 -3.321 5.682) 6.682 2.417 ( -4.639 -2.034 2.347) 5.583 2.489 ( -3.594 0.448 5.005) 6.178 2.500 ( 0.850 0.171 4.023) 4.115 2.646 ( -3.072 1.750 -1.537) 3.855 2.717 ( 0.443 0.612 -2.157) 2.285 2.739 ( 2.125 -3.737 2.936) 5.206 2.853 ( 0.317 2.090 -1.861) 2.816 2.899 ( -1.466 -4.178 -3.647) 5.736 2.925 ( 2.514 -1.168 -5.738) 6.373 3.266 ( -5.201 -1.371 4.881) 7.263 3.313 ( 1.643 -5.269 3.592) 6.585 3.561 ( 0.863 2.273 2.916) 3.796 3.698 ( -0.256 0.072 -0.392) 0.474 3.760 ( -1.761 -1.415 4.389) 4.936 4.001 ( 0.203 -9.184 3.951) 10.000 4.083 ( -7.033 2.088 18.585) 19.981 4.134 ( -6.993 -0.148 21.466) 22.577 4.219 ( -9.754 4.500 10.438) 14.978 4.404 ( 6.151 10.440 -0.986) 12.157 4.478 ( -7.457 -7.300 12.758) 16.482 4.746 ( 2.888 -5.489 -0.412) 6.216 5.081 ( -2.036 5.050 -1.578) 5.669 5.269 ( -0.799 -3.253 -6.189) 7.037 5.530 ( 2.161 2.888 -2.600) 4.447 5.656 ( -1.773 1.596 -8.052) 8.397 5.717 ( 0.785 4.909 -0.003) 4.971 5.805 ( -1.403 0.770 2.006) 2.566 5.857 ( -3.033 -0.574 -0.970) 3.236 6.034 ( -3.231 -6.423 5.359) 8.967 6.171 ( 1.623 1.969 -1.411) 2.916 6.204 ( 0.004 0.617 3.492) 3.546 6.554 ( 0.498 5.385 -0.828) 5.471 6.654 ( 3.338 0.174 1.846) 3.819 6.727 ( 2.690 0.466 -0.103) 2.732 6.789 ( -5.909 -4.029 4.335) 8.364 6.969 ( 1.016 -0.849 1.076) 1.706 7.097 ( 5.811 -3.784 -3.435) 7.738 7.189 ( 1.208 7.343 -0.522) 7.460 7.245 ( 0.124 1.026 1.817) 2.090 7.305 ( 0.729 -2.103 0.714) 2.338 7.459 ( 3.623 -2.522 -0.977) 4.521 7.732 ( 3.183 4.816 2.848) 6.438 7.759 ( 3.137 0.573 -6.071) 6.858 7.784 ( 3.094 -0.419 -0.932) 3.258 8.018 ( 5.850 2.968 -2.130) 6.897 8.032 ( -1.899 -6.806 -1.749) 7.279 8.121 ( -0.242 0.515 0.996) 1.147 8.240 ( 2.555 -0.211 -6.630) 7.109 8.347 ( 7.454 -2.609 -4.050) 8.875 8.568 ( 1.462 1.428 2.152) 2.968 8.601 ( 3.079 0.884 1.180) 3.414 8.732 ( -2.241 2.344 0.307) 3.258 8.831 ( 0.286 4.293 -1.589) 4.586 8.929 ( -2.154 -1.150 2.127) 3.239 8.951 ( -2.819 3.962 -3.043) 5.736 9.055 ( -0.470 0.439 -0.562) 0.854 9.077 ( -1.957 3.664 -2.440) 4.818 9.198 ( -6.056 9.031 2.836) 11.237 9.392 ( 1.145 1.037 6.843) 7.015 9.529 ( 0.227 2.205 2.530) 3.364 9.705 ( -3.168 -3.662 6.449) 8.064 9.832 ( -2.626 -2.951 -0.265) 3.959 9.854 ( 0.980 1.501 6.430) 6.675 9.990 ( -2.957 0.476 -0.917) 3.133 10.063 ( -3.650 -1.531 3.272) 5.135 10.119 ( 1.126 2.571 -0.235) 2.816 10.202 ( 2.216 1.473 0.426) 2.695 10.270 ( -1.727 0.053 5.762) 6.015 10.413 ( -10.456 -3.344 7.123) 13.086 10.612 ( 5.691 -5.143 -8.933) 11.775 10.843 ( -2.814 -9.790 -13.069) 16.570 10.988 ( -2.717 2.832 -1.826) 4.329 11.082 ( -3.371 -0.131 -0.649) 3.435 11.191 ( -5.218 -0.003 -4.676) 7.006 11.408 ( 1.868 -7.369 0.811) 7.645 11.545 ( 1.653 1.277 0.735) 2.214 11.694 ( 2.348 -0.390 -0.874) 2.536 12.087 ( -3.339 1.404 5.528) 6.609 12.194 ( 3.777 -1.428 8.455) 9.370 12.440 ( -3.542 -6.459 6.099) 9.564 12.493 ( 2.522 -11.851 3.028) 12.489 12.599 ( 1.489 -2.156 1.348) 2.946 12.713 ( 0.768 -11.457 0.395) 11.489 12.995 ( 1.347 5.613 -1.465) 5.955 13.076 ( -0.005 -0.525 -9.635) 9.649 13.269 ( -6.394 10.648 2.152) 12.605 13.307 ( -2.532 9.298 1.626) 9.773 13.737 ( 1.060 3.374 2.632) 4.408 13.890 ( 2.178 5.453 -7.529) 9.548 14.015 ( -0.006 11.363 -8.385) 14.122 14.134 ( 1.682 -5.289 -3.158) 6.385 14.271 ( -4.011 -4.357 5.608) 8.157 14.536 ( 0.747 -6.031 -0.867) 6.139 15.392 ( 1.163 6.124 -1.973) 6.539 15.614 ( -0.912 -3.100 -4.412) 5.469 15.788 ( 2.234 -0.547 -5.508) 5.969 15.817 ( 0.822 -0.605 -4.828) 4.935 ======================= Grid point 104 (57/111) ======================= q-point: (-0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -13.189 7.045 0.991) 14.985 1.826 ( -10.267 0.067 7.026) 12.441 1.854 ( -12.370 0.684 8.061) 14.781 1.947 ( -4.597 -2.644 0.355) 5.315 2.067 ( 0.568 1.001 -0.241) 1.176 2.120 ( 0.053 1.156 0.384) 1.219 2.175 ( 1.247 1.183 8.024) 8.206 2.227 ( 2.319 0.874 7.402) 7.806 2.284 ( 0.001 -0.755 1.478) 1.659 2.314 ( -0.006 0.351 2.681) 2.703 2.333 ( -3.700 -2.080 1.941) 4.667 2.365 ( -5.086 -0.124 3.217) 6.019 2.441 ( -3.933 -1.534 7.821) 8.887 2.528 ( 0.488 -5.018 4.839) 6.988 2.613 ( 1.332 3.467 -2.506) 4.480 2.727 ( 1.936 3.461 1.830) 4.368 2.824 ( -1.434 -3.819 -3.449) 5.342 2.841 ( 3.368 -1.663 -1.455) 4.028 2.897 ( 3.710 0.404 -3.765) 5.301 2.976 ( 4.874 -3.093 -4.727) 7.461 3.227 ( -1.352 1.581 5.613) 5.986 3.358 ( -0.468 -3.515 4.965) 6.102 3.621 ( 4.001 1.646 0.780) 4.397 3.717 ( 4.092 -2.410 -2.728) 5.476 3.771 ( -1.728 1.835 5.382) 5.943 3.862 ( -14.032 0.286 -0.108) 14.036 4.013 ( -10.040 -1.906 12.555) 16.188 4.094 ( -7.534 -3.526 18.596) 20.372 4.167 ( -3.693 -1.945 18.378) 18.846 4.377 ( -10.795 -8.021 16.721) 21.458 4.544 ( 7.833 9.690 1.100) 12.509 4.810 ( 3.056 0.868 -0.358) 3.197 5.033 ( -1.370 1.136 0.190) 1.790 5.185 ( -3.601 -5.376 -6.294) 9.027 5.553 ( -1.766 3.748 -9.399) 10.272 5.600 ( 3.546 2.464 -0.956) 4.422 5.709 ( -1.515 2.824 1.361) 3.482 5.824 ( 2.512 1.382 -0.527) 2.915 5.860 ( 3.616 -0.932 -0.660) 3.793 5.964 ( -6.074 -3.142 3.300) 7.593 6.177 ( 0.291 5.316 -3.819) 6.552 6.244 ( 1.407 0.124 4.935) 5.133 6.584 ( 2.461 2.952 1.728) 4.214 6.696 ( -3.961 -1.893 1.877) 4.774 6.752 ( 4.482 -1.087 1.547) 4.865 6.795 ( 2.374 -1.110 2.746) 3.796 6.979 ( -0.055 -2.088 1.871) 2.804 7.137 ( -0.324 -4.936 -1.538) 5.180 7.186 ( -3.637 2.343 -1.096) 4.463 7.228 ( 2.716 2.876 0.044) 3.956 7.395 ( 4.717 2.760 0.887) 5.537 7.578 ( 6.353 -2.866 0.611) 6.997 7.728 ( -1.425 2.565 -1.331) 3.222 7.793 ( 4.533 -1.836 -9.254) 10.467 7.866 ( 5.511 -0.565 -2.188) 5.956 7.977 ( -1.338 -4.833 -0.772) 5.074 8.126 ( 3.575 -1.046 -0.291) 3.736 8.136 ( -0.553 -0.706 2.133) 2.313 8.285 ( 7.098 6.684 -7.041) 12.027 8.490 ( 9.869 -1.686 -5.207) 11.285 8.549 ( -3.502 2.901 2.606) 5.242 8.671 ( -2.776 -1.908 5.541) 6.484 8.722 ( 3.306 6.735 -3.660) 8.348 8.819 ( -0.582 0.349 -1.267) 1.437 8.898 ( -0.550 7.233 -2.105) 7.553 8.927 ( 1.109 4.279 5.560) 7.103 9.011 ( 0.230 1.355 -5.023) 5.208 9.076 ( -0.150 0.860 4.273) 4.361 9.152 ( -1.138 4.880 5.404) 7.369 9.455 ( 0.873 3.612 5.293) 6.467 9.543 ( -0.319 -1.653 1.119) 2.021 9.602 ( -8.549 2.768 2.087) 9.225 9.771 ( -4.779 1.029 -0.006) 4.888 9.888 ( -6.548 -2.728 5.142) 8.761 9.911 ( -7.531 -2.447 1.760) 8.111 9.979 ( -3.065 -2.343 0.941) 3.972 10.036 ( -6.298 1.043 1.485) 6.554 10.123 ( -2.740 2.895 4.999) 6.394 10.351 ( 4.297 -0.220 3.511) 5.554 10.394 ( 0.562 -4.455 4.446) 6.319 10.674 ( 5.118 -10.424 -8.084) 14.149 10.711 ( -2.103 -14.729 -12.757) 19.599 10.974 ( 1.985 3.567 -1.083) 4.223 11.015 ( -2.419 0.862 -3.341) 4.214 11.111 ( -0.429 5.316 -0.568) 5.363 11.424 ( -0.190 -1.021 -1.588) 1.897 11.584 ( 2.040 -5.012 2.147) 5.822 11.722 ( 1.191 -3.398 -1.959) 4.100 12.043 ( -4.342 2.278 6.151) 7.866 12.263 ( -2.547 -6.019 8.745) 10.917 12.437 ( 0.603 -1.959 5.412) 5.787 12.569 ( 3.400 -5.094 1.711) 6.359 12.650 ( 1.701 -3.023 3.664) 5.045 12.731 ( 0.892 -11.165 0.495) 11.212 12.969 ( -3.412 4.600 -6.203) 8.443 13.007 ( -0.566 3.098 -4.470) 5.468 13.143 ( -6.727 13.094 3.053) 15.034 13.310 ( 0.824 -0.538 -1.590) 1.870 13.770 ( 0.343 4.129 3.184) 5.226 13.865 ( -0.214 5.202 -7.490) 9.121 13.986 ( 2.418 9.259 -9.982) 13.828 14.131 ( -1.251 -6.869 0.602) 7.008 14.233 ( -1.602 0.923 1.925) 2.669 14.584 ( 4.434 -6.760 0.642) 8.110 15.418 ( 2.369 6.329 -1.247) 6.872 15.557 ( -2.318 -0.439 -5.585) 6.063 15.773 ( -0.522 -0.065 -6.132) 6.154 15.853 ( 6.160 -3.096 -4.225) 8.086 ======================= Grid point 105 (58/111) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -16.357 7.292 4.085) 18.369 1.599 ( -15.943 0.985 7.600) 17.689 1.661 ( -12.564 -0.898 10.764) 16.569 1.855 ( -7.735 -6.156 6.647) 11.913 2.004 ( -7.229 3.459 3.079) 8.585 2.098 ( -0.380 0.705 1.062) 1.330 2.244 ( -7.061 -0.927 2.517) 7.554 2.257 ( 0.687 2.412 -0.304) 2.526 2.287 ( -1.253 -0.874 6.123) 6.310 2.308 ( 1.974 2.742 1.694) 3.779 2.340 ( 3.346 0.172 3.397) 4.771 2.367 ( 0.896 -1.673 4.299) 4.699 2.452 ( 1.249 0.616 7.983) 8.103 2.530 ( -3.242 1.284 5.946) 6.893 2.625 ( 0.013 -0.670 -2.087) 2.192 2.747 ( 0.279 1.042 -0.839) 1.367 2.811 ( 0.676 -4.768 -1.254) 4.976 2.888 ( 2.781 -3.426 -0.900) 4.504 2.938 ( 3.059 1.263 -4.719) 5.763 3.034 ( 4.087 -3.387 -5.347) 7.534 3.265 ( 0.603 0.607 7.120) 7.171 3.351 ( -2.642 -2.535 4.399) 5.724 3.501 ( -12.208 5.286 -1.942) 13.445 3.732 ( 3.142 0.081 0.092) 3.144 3.811 ( -3.825 -1.507 3.080) 5.137 3.832 ( 4.881 1.483 1.380) 5.285 3.894 ( -1.169 -3.991 8.609) 9.561 4.046 ( -10.493 -0.025 26.079) 28.110 4.225 ( -4.253 -6.437 20.550) 21.950 4.299 ( -4.425 -7.804 13.133) 15.905 4.691 ( 6.441 7.180 0.739) 9.674 4.844 ( 0.918 6.403 -0.596) 6.496 5.023 ( -1.496 -2.749 2.467) 3.985 5.100 ( -0.935 -7.424 -5.654) 9.379 5.479 ( -0.885 6.229 -5.270) 8.207 5.607 ( -1.079 3.065 -1.215) 3.469 5.740 ( 2.438 -1.129 -0.370) 2.712 5.837 ( -5.985 -1.800 2.588) 6.764 5.888 ( 5.386 3.761 -3.447) 7.419 5.975 ( 6.880 -0.736 -3.616) 7.807 6.147 ( -0.718 5.438 -3.700) 6.617 6.296 ( 0.530 -0.214 4.512) 4.548 6.624 ( -2.408 0.762 1.078) 2.746 6.649 ( 1.368 1.516 0.673) 2.150 6.848 ( 1.509 -3.067 2.280) 4.109 6.850 ( 3.823 -2.549 4.148) 6.190 6.968 ( -3.105 -1.014 2.580) 4.163 7.103 ( -1.025 -0.795 -2.061) 2.435 7.151 ( 0.940 2.271 -1.286) 2.774 7.268 ( 1.516 -2.003 -0.918) 2.674 7.478 ( 4.115 3.342 0.887) 5.375 7.612 ( -2.832 -3.087 3.027) 5.168 7.669 ( -3.640 0.008 -2.197) 4.251 7.864 ( -2.867 -1.321 -6.445) 7.177 7.905 ( 11.267 -2.879 -10.465) 15.645 8.021 ( 5.535 0.685 -1.674) 5.823 8.052 ( -5.365 1.584 -3.655) 6.682 8.214 ( 2.832 -2.425 0.982) 3.856 8.383 ( 5.349 6.974 -4.813) 10.020 8.471 ( -5.680 4.228 1.120) 7.168 8.565 ( -3.134 1.510 -1.322) 3.721 8.624 ( 1.056 2.660 -5.945) 6.598 8.722 ( -2.185 3.494 -2.090) 4.620 8.828 ( 4.310 2.264 -2.836) 5.634 8.936 ( 3.699 1.143 1.854) 4.292 8.990 ( 2.143 1.470 -2.811) 3.828 9.040 ( -1.907 3.559 3.925) 5.631 9.134 ( 5.126 -0.252 8.033) 9.532 9.197 ( 2.405 2.061 8.875) 9.424 9.399 ( -7.295 9.489 -0.502) 11.979 9.435 ( -7.668 8.708 -2.628) 11.897 9.572 ( -0.576 -6.005 6.330) 8.744 9.653 ( -8.994 0.057 4.950) 10.267 9.731 ( -5.608 -1.154 3.524) 6.723 9.749 ( -7.697 -3.089 2.517) 8.667 9.896 ( -4.253 -1.539 7.841) 9.052 10.064 ( 1.401 2.946 0.354) 3.281 10.185 ( 2.717 -2.571 9.158) 9.893 10.372 ( 1.838 -11.545 -5.360) 12.861 10.431 ( -3.166 5.353 4.580) 7.724 10.640 ( 5.716 -23.910 -12.984) 27.802 10.763 ( 4.618 -9.164 2.836) 10.647 10.973 ( 1.224 3.022 -4.869) 5.860 11.036 ( 4.693 0.045 -2.073) 5.131 11.166 ( 4.691 8.173 3.254) 9.969 11.387 ( -1.953 2.907 -3.691) 5.088 11.643 ( 1.879 -7.177 0.882) 7.471 11.720 ( 0.476 -6.526 -0.103) 6.544 12.010 ( -3.122 2.901 9.071) 10.022 12.224 ( -5.598 -6.048 7.961) 11.458 12.491 ( 1.054 -2.066 4.636) 5.184 12.619 ( 0.229 -2.871 1.062) 3.070 12.674 ( -2.055 -1.771 4.124) 4.936 12.746 ( -0.513 -12.535 0.406) 12.552 12.856 ( -2.457 6.059 -7.872) 10.233 12.975 ( -1.613 1.702 -2.754) 3.617 13.063 ( -2.725 13.859 3.467) 14.543 13.311 ( 0.407 -2.596 -1.659) 3.107 13.777 ( -1.025 4.043 1.417) 4.405 13.807 ( -1.711 4.318 -5.300) 7.047 13.983 ( 2.312 3.271 -8.342) 9.254 14.108 ( -1.529 -8.032 2.685) 8.605 14.248 ( 2.816 9.320 -0.292) 9.740 14.706 ( 7.392 -7.510 1.809) 10.692 15.444 ( -1.719 3.521 -3.376) 5.172 15.471 ( -0.848 3.311 -4.425) 5.591 15.719 ( -0.733 3.927 -6.844) 7.925 15.988 ( 10.256 -5.171 -4.949) 12.507 ======================= Grid point 106 (59/111) ======================= q-point: (-0.22 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -16.149 8.816 9.668) 20.784 1.326 ( -17.375 6.402 8.968) 20.574 1.533 ( -7.144 -5.552 12.241) 15.222 1.702 ( -12.779 -6.994 14.061) 20.247 1.947 ( -11.636 1.985 8.957) 14.818 1.963 ( -7.541 4.086 4.880) 9.868 2.165 ( -1.578 1.054 2.068) 2.807 2.256 ( -0.132 0.964 -1.247) 1.581 2.291 ( -0.490 0.934 1.957) 2.223 2.311 ( -0.136 0.148 3.380) 3.386 2.405 ( 0.916 1.786 3.800) 4.297 2.458 ( 1.252 0.507 4.357) 4.561 2.481 ( -1.923 1.649 3.800) 4.567 2.536 ( 2.056 3.971 6.792) 8.132 2.641 ( 2.525 -2.122 0.624) 3.357 2.729 ( -1.437 1.915 -0.903) 2.559 2.813 ( -0.042 -5.862 -1.369) 6.020 2.908 ( 1.667 -4.845 -5.320) 7.386 2.979 ( 2.483 -0.584 -1.699) 3.065 3.064 ( 1.846 -3.919 -3.674) 5.680 3.284 ( -2.454 0.068 3.947) 4.648 3.343 ( 2.326 -3.480 5.694) 7.067 3.429 ( 0.562 1.380 5.716) 5.907 3.597 ( -8.428 -5.724 -1.771) 10.341 3.873 ( 6.009 4.103 1.804) 7.496 3.943 ( 0.396 -1.008 12.559) 12.605 3.981 ( -2.525 -0.118 11.086) 11.371 4.012 ( -2.414 0.937 14.832) 15.057 4.233 ( -4.889 -2.301 22.778) 23.410 4.343 ( 0.755 -7.199 5.719) 9.225 4.785 ( 4.293 6.746 -4.147) 9.007 4.830 ( -2.711 4.963 0.484) 5.676 4.977 ( -4.824 -3.662 2.924) 6.725 5.103 ( 4.253 -8.209 -4.765) 10.401 5.473 ( 1.954 7.262 -0.711) 7.554 5.593 ( 0.924 1.912 -1.951) 2.883 5.724 ( -3.340 0.461 2.506) 4.201 5.788 ( -0.363 -3.798 -1.123) 3.977 5.972 ( 5.231 4.835 -4.934) 8.666 6.081 ( 6.364 -0.357 -6.806) 9.324 6.126 ( 0.660 2.880 -2.197) 3.682 6.282 ( -5.016 -1.373 4.116) 6.633 6.597 ( 0.271 2.899 -1.313) 3.194 6.668 ( 0.218 2.030 -0.225) 2.054 6.859 ( -2.133 -2.197 -1.745) 3.524 6.891 ( -2.100 -5.557 0.288) 5.948 6.958 ( 2.239 2.183 7.691) 8.302 7.117 ( 0.922 -0.200 7.171) 7.232 7.192 ( 3.248 0.850 1.021) 3.509 7.270 ( -0.461 -2.621 -2.624) 3.738 7.519 ( -3.243 -1.234 1.425) 3.750 7.588 ( -2.007 -5.577 0.834) 5.986 7.591 ( 0.321 3.895 -0.971) 4.027 7.755 ( -2.938 1.956 -5.385) 6.438 7.903 ( -5.871 5.674 -6.401) 10.375 8.030 ( 6.794 -3.626 -11.406) 13.762 8.061 ( -0.237 1.053 -9.172) 9.235 8.233 ( -0.212 -1.666 -1.461) 2.226 8.359 ( -4.520 5.393 1.731) 7.247 8.383 ( -3.041 3.091 -4.444) 6.209 8.538 ( 2.003 12.353 -3.247) 12.929 8.582 ( 0.202 0.430 -9.819) 9.830 8.664 ( -1.506 -3.145 -5.431) 6.455 8.859 ( -2.659 4.477 -2.411) 5.738 8.927 ( -3.791 0.114 -3.514) 5.171 8.983 ( -4.825 1.178 3.954) 6.348 9.020 ( 2.577 -0.237 3.226) 4.136 9.187 ( -7.176 1.085 4.661) 8.625 9.261 ( 1.487 7.244 -3.099) 8.018 9.368 ( -0.629 3.996 9.062) 9.924 9.400 ( 5.013 3.055 10.306) 11.861 9.482 ( -5.205 2.787 2.921) 6.588 9.617 ( -3.185 -4.453 7.295) 9.121 9.651 ( -2.317 -2.184 7.752) 8.380 9.771 ( 3.852 0.269 8.254) 9.113 9.927 ( 2.241 -5.117 3.146) 6.411 10.071 ( -2.310 -1.737 9.158) 9.603 10.217 ( -2.804 -1.301 6.350) 7.063 10.342 ( -5.293 3.083 3.245) 6.932 10.493 ( 11.789 -12.687 -2.841) 17.550 10.712 ( 4.913 -14.060 -8.011) 16.911 10.875 ( 4.732 -12.706 5.029) 14.461 11.031 ( 7.287 0.398 -3.436) 8.066 11.107 ( 4.073 -2.267 -3.581) 5.878 11.266 ( 0.673 3.696 -2.290) 4.400 11.334 ( 1.422 6.082 -0.569) 6.272 11.610 ( -3.433 -8.341 -1.910) 9.220 11.780 ( 2.739 -5.408 3.032) 6.778 12.043 ( -0.019 -1.460 13.451) 13.530 12.151 ( -6.572 -4.374 7.319) 10.766 12.510 ( -1.611 -3.416 3.049) 4.854 12.559 ( -6.808 -1.872 1.555) 7.229 12.632 ( -3.711 -1.138 2.630) 4.688 12.698 ( -3.185 -12.041 0.412) 12.462 12.819 ( 1.243 1.906 -5.229) 5.703 12.912 ( -2.499 0.895 -3.073) 4.061 13.094 ( 2.596 15.462 5.442) 16.596 13.322 ( 1.813 -1.210 -0.375) 2.212 13.731 ( -1.497 4.320 -5.791) 7.379 13.773 ( -1.662 3.729 2.675) 4.881 13.976 ( 0.984 -4.339 -4.834) 6.570 14.114 ( 0.244 -8.060 3.944) 8.977 14.331 ( 5.920 17.227 -1.810) 18.306 14.873 ( 8.684 -7.851 1.248) 11.774 15.325 ( -5.462 2.309 -4.523) 7.458 15.436 ( -3.488 -1.338 -2.862) 4.706 15.705 ( 3.952 16.040 -7.565) 18.169 16.162 ( 11.012 -5.928 -8.002) 14.847 ======================= Grid point 107 (60/111) ======================= q-point: (-0.11 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -6.703 14.463 16.137) 22.682 1.060 ( -15.370 12.766 12.823) 23.741 1.515 ( -2.626 -7.993 10.956) 13.814 1.570 ( -10.731 -4.999 20.413) 23.597 1.727 ( -13.819 3.218 25.055) 28.794 1.923 ( -2.997 -2.561 0.242) 3.950 2.146 ( -1.206 -1.720 0.553) 2.172 2.215 ( -2.548 -1.477 -2.485) 3.853 2.311 ( 1.183 2.783 0.868) 3.146 2.342 ( 0.237 -0.238 4.670) 4.682 2.432 ( -1.006 3.995 2.636) 4.891 2.456 ( 2.565 4.745 4.301) 6.899 2.549 ( 0.714 1.750 8.056) 8.275 2.583 ( -1.043 -0.148 2.171) 2.413 2.656 ( 0.985 1.523 -0.462) 1.872 2.726 ( -1.057 -1.162 -0.627) 1.691 2.788 ( -0.297 -5.670 0.677) 5.718 2.925 ( 3.469 -4.939 -5.159) 7.940 3.003 ( 0.722 -1.166 -0.895) 1.638 3.065 ( -0.250 -3.162 -1.401) 3.468 3.277 ( -1.695 2.002 4.568) 5.268 3.407 ( 0.617 -5.851 4.150) 7.199 3.520 ( 4.582 0.084 7.609) 8.882 3.528 ( 1.505 -0.144 1.643) 2.233 3.938 ( -8.716 -0.379 24.671) 26.168 3.956 ( -1.643 1.539 2.585) 3.428 3.989 ( -2.366 -1.458 8.908) 9.331 4.078 ( 3.797 -0.031 1.483) 4.077 4.309 ( -0.517 1.018 15.240) 15.283 4.358 ( -1.977 -0.463 3.442) 3.996 4.733 ( -4.318 0.242 -1.178) 4.482 4.815 ( -2.953 -1.146 -1.452) 3.484 4.909 ( -0.940 2.030 2.100) 3.068 5.195 ( 7.356 -8.519 -3.303) 11.730 5.522 ( 1.688 3.181 2.959) 4.661 5.622 ( 3.110 1.650 -2.975) 4.610 5.714 ( 1.188 0.596 2.487) 2.820 5.760 ( -2.271 0.389 0.424) 2.342 6.016 ( 2.404 3.003 -6.260) 7.348 6.103 ( 0.979 0.317 -3.711) 3.851 6.159 ( -5.000 1.272 0.021) 5.159 6.173 ( 0.760 -1.446 -3.119) 3.521 6.611 ( 1.886 3.050 -1.813) 4.018 6.673 ( 1.132 2.518 -0.912) 2.908 6.782 ( -2.758 -1.122 -1.604) 3.382 6.849 ( -3.029 -4.228 -0.662) 5.243 7.043 ( 0.733 2.527 6.447) 6.963 7.140 ( -6.655 0.034 4.990) 8.318 7.230 ( 3.672 1.380 -4.288) 5.812 7.260 ( -1.404 0.178 6.873) 7.017 7.486 ( -6.106 -1.266 0.857) 6.294 7.510 ( 0.651 -0.690 1.515) 1.787 7.625 ( 4.234 -3.941 1.451) 5.963 7.730 ( 1.382 -3.209 2.540) 4.319 7.867 ( 6.033 9.867 -9.633) 15.052 7.938 ( -2.238 4.059 -11.893) 12.764 8.011 ( 0.207 -0.991 -11.504) 11.549 8.209 ( -0.647 -2.008 -4.773) 5.218 8.298 ( -2.746 2.190 -7.525) 8.304 8.334 ( 0.718 1.216 -2.039) 2.480 8.455 ( -2.640 5.168 -11.996) 13.326 8.561 ( -4.715 -0.053 -7.576) 8.924 8.621 ( 3.664 6.170 -5.160) 8.839 8.747 ( -6.453 2.875 2.890) 7.633 8.842 ( -2.033 3.194 -3.567) 5.202 8.927 ( -4.108 5.600 0.915) 7.005 9.058 ( -7.831 -0.459 8.865) 11.837 9.108 ( 3.311 -1.456 6.144) 7.130 9.275 ( -1.760 -4.413 2.738) 5.483 9.355 ( -1.760 -2.519 2.358) 3.874 9.439 ( 0.788 9.061 6.169) 10.990 9.547 ( -0.810 -3.232 4.292) 5.434 9.639 ( 2.786 1.154 11.732) 12.113 9.720 ( 2.161 -1.889 7.570) 8.096 9.907 ( -0.593 -4.501 13.456) 14.201 9.940 ( 0.433 0.414 -0.174) 0.624 10.073 ( -0.617 -7.456 3.631) 8.316 10.291 ( -4.682 5.326 10.334) 12.533 10.293 ( 5.404 -1.032 12.605) 13.754 10.665 ( 2.838 -5.108 -1.518) 6.037 10.772 ( 9.594 -12.979 -4.547) 16.768 10.976 ( 1.917 -17.828 4.429) 18.470 11.139 ( -0.054 1.921 -8.571) 8.784 11.149 ( 4.013 0.579 -4.090) 5.759 11.202 ( 3.713 -1.518 -4.920) 6.348 11.380 ( -0.924 -7.974 0.161) 8.029 11.565 ( -0.092 -0.364 4.362) 4.378 11.804 ( -2.396 -1.922 3.186) 4.426 12.056 ( -7.374 -2.399 6.674) 10.231 12.132 ( -0.343 -9.469 13.620) 16.592 12.416 ( -6.669 -1.784 2.406) 7.311 12.490 ( -3.136 -7.707 3.352) 8.971 12.597 ( -0.793 -4.871 3.645) 6.136 12.648 ( -2.443 -8.786 1.040) 9.178 12.822 ( 1.492 1.247 -3.400) 3.917 12.856 ( -1.096 0.884 -3.988) 4.229 13.199 ( 4.310 16.030 7.371) 18.162 13.380 ( 3.530 1.434 1.642) 4.149 13.687 ( -0.090 5.070 -3.793) 6.333 13.760 ( -0.849 3.616 1.853) 4.151 13.972 ( 0.790 -9.340 -1.701) 9.527 14.158 ( 1.247 -7.520 5.423) 9.355 14.413 ( 3.429 21.054 -5.534) 22.037 15.003 ( 2.937 -8.178 -4.395) 9.738 15.239 ( 0.010 2.199 0.411) 2.237 15.348 ( -2.917 -2.447 1.777) 4.201 15.752 ( 5.294 24.020 -11.062) 26.970 16.284 ( 6.885 -5.654 -12.034) 14.973 ======================= Grid point 108 (61/111) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -1.231 -7.011 13.571) 15.324 1.200 ( -1.231 7.011 13.571) 15.324 1.400 ( -4.151 -4.110 16.290) 17.306 1.400 ( -4.151 4.110 16.290) 17.306 1.820 ( 1.317 -5.398 13.720) 14.802 1.820 ( 1.317 5.398 13.720) 14.802 2.125 ( -0.217 -1.750 -0.505) 1.835 2.125 ( -0.217 1.750 -0.505) 1.835 2.347 ( -0.430 -1.368 1.001) 1.748 2.347 ( -0.430 1.368 1.001) 1.748 2.508 ( -2.165 -3.746 6.272) 7.620 2.508 ( -2.165 3.746 6.272) 7.620 2.570 ( 0.230 -1.307 1.582) 2.065 2.570 ( 0.230 1.307 1.582) 2.065 2.705 ( -0.452 -3.247 2.526) 4.138 2.705 ( -0.452 3.247 2.526) 4.138 2.826 ( 0.971 -8.079 -2.554) 8.528 2.826 ( 0.971 8.079 -2.554) 8.528 3.029 ( 0.664 -2.326 -1.976) 3.123 3.029 ( 0.664 2.326 -1.976) 3.123 3.350 ( 0.290 -5.623 4.681) 7.322 3.350 ( 0.290 5.623 4.681) 7.322 3.631 ( 2.794 -1.989 6.932) 7.734 3.631 ( 2.794 1.989 6.932) 7.734 3.875 ( -7.725 -0.475 15.609) 17.422 3.875 ( -7.725 0.475 15.609) 17.422 4.027 ( -2.007 -6.148 -2.615) 6.976 4.027 ( -2.007 6.148 -2.615) 6.976 4.349 ( -6.098 -2.993 10.255) 12.301 4.349 ( -6.098 2.993 10.255) 12.301 4.679 ( -0.231 -0.818 2.161) 2.322 4.679 ( -0.231 0.818 2.161) 2.322 5.125 ( 5.522 -9.956 -1.332) 11.463 5.125 ( 5.522 9.956 -1.332) 11.463 5.623 ( 1.223 -3.611 -0.409) 3.834 5.623 ( 1.223 3.611 -0.409) 3.834 5.739 ( -1.764 -1.616 2.377) 3.373 5.739 ( -1.764 1.616 2.377) 3.373 6.056 ( -2.197 -0.561 -3.475) 4.150 6.056 ( -2.197 0.561 -3.475) 4.150 6.143 ( 2.215 -4.438 -3.840) 6.272 6.143 ( 2.215 4.438 -3.840) 6.272 6.682 ( -2.352 -2.953 -1.763) 4.166 6.682 ( -2.352 2.953 -1.763) 4.166 6.747 ( 2.258 -2.921 -1.111) 3.856 6.747 ( 2.258 2.921 -1.111) 3.856 7.048 ( -4.182 -2.271 2.915) 5.581 7.048 ( -4.182 2.271 2.915) 5.581 7.332 ( 0.956 -4.599 0.844) 4.772 7.332 ( 0.956 4.599 0.844) 4.772 7.431 ( -1.608 -3.612 0.474) 3.983 7.431 ( -1.608 3.612 0.474) 3.983 7.753 ( 6.712 -0.865 -3.982) 7.852 7.753 ( 6.712 0.865 -3.982) 7.852 7.969 ( 3.261 -1.581 -1.637) 3.977 7.969 ( 3.261 1.581 -1.637) 3.977 8.090 ( 5.438 -3.810 -10.817) 12.692 8.090 ( 5.438 3.810 -10.817) 12.692 8.239 ( -3.147 -3.820 -8.588) 9.912 8.239 ( -3.147 3.820 -8.588) 9.912 8.471 ( 1.362 -2.911 -8.796) 9.365 8.471 ( 1.362 2.911 -8.796) 9.365 8.640 ( -8.365 -5.099 3.037) 10.257 8.640 ( -8.365 5.099 3.037) 10.257 8.925 ( -0.618 -9.740 1.961) 9.954 8.925 ( -0.618 9.740 1.961) 9.954 9.080 ( -0.501 -14.098 4.368) 14.767 9.080 ( -0.501 14.098 4.368) 14.767 9.246 ( 2.457 -3.660 5.367) 6.946 9.246 ( 2.457 3.660 5.367) 6.946 9.607 ( -0.524 -7.616 5.453) 9.382 9.607 ( -0.524 7.616 5.453) 9.382 9.736 ( -4.264 -7.018 10.670) 13.464 9.736 ( -4.264 7.018 10.670) 13.464 9.800 ( 0.906 -3.953 4.267) 5.887 9.800 ( 0.906 3.953 4.267) 5.887 10.300 ( 1.294 -11.123 10.102) 15.082 10.300 ( 1.294 11.123 10.102) 15.082 10.484 ( -5.540 -20.453 8.508) 22.835 10.484 ( -5.540 20.453 8.508) 22.835 10.760 ( 6.422 -5.551 3.992) 9.381 10.760 ( 6.422 5.551 3.992) 9.381 11.128 ( -1.726 -5.520 -4.612) 7.397 11.128 ( -1.726 5.520 -4.612) 7.397 11.275 ( 5.908 -1.640 -3.711) 7.166 11.275 ( 5.908 1.640 -3.711) 7.166 11.700 ( -3.494 -3.640 2.720) 5.732 11.700 ( -3.494 3.640 2.720) 5.732 12.003 ( -3.799 -5.989 9.384) 11.763 12.003 ( -3.799 5.989 9.384) 11.763 12.307 ( -4.500 -1.496 2.003) 5.148 12.307 ( -4.500 1.496 2.003) 5.148 12.600 ( 1.173 -1.837 2.652) 3.433 12.600 ( 1.173 1.837 2.652) 3.433 12.854 ( 2.379 -2.880 -4.362) 5.743 12.854 ( 2.379 2.880 -4.362) 5.743 13.455 ( 2.866 -5.242 2.883) 6.634 13.455 ( 2.866 5.242 2.883) 6.634 13.822 ( 3.027 -7.296 -1.481) 8.037 13.822 ( 3.027 7.296 -1.481) 8.037 13.979 ( -0.372 -16.298 7.228) 17.833 13.979 ( -0.372 16.298 7.228) 17.833 14.713 ( -4.713 -15.019 -7.705) 17.526 14.713 ( -4.713 15.019 -7.705) 17.526 15.360 ( 5.591 -2.398 4.159) 7.370 15.360 ( 5.591 2.398 4.159) 7.370 16.103 ( 0.245 -13.502 -15.473) 20.537 16.103 ( 0.245 13.502 -15.473) 20.537 ======================= Grid point 110 (62/111) ======================= q-point: ( 0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 4.813 -13.661 11.507) 18.498 1.299 ( 4.813 13.661 11.507) 18.498 1.498 ( 2.679 -5.985 20.685) 21.700 1.498 ( 2.679 5.985 20.685) 21.700 1.911 ( 2.555 -3.903 1.296) 4.842 1.911 ( 2.555 3.903 1.296) 4.842 2.171 ( 2.879 -1.275 4.162) 5.220 2.171 ( 2.879 1.275 4.162) 5.220 2.343 ( -0.301 -1.207 0.127) 1.250 2.343 ( -0.301 1.207 0.127) 1.250 2.507 ( -1.993 -2.951 5.695) 6.717 2.507 ( -1.993 2.951 5.695) 6.717 2.592 ( -0.715 -1.728 2.902) 3.452 2.592 ( -0.715 1.728 2.902) 3.452 2.703 ( 0.455 -2.471 2.976) 3.895 2.703 ( 0.455 2.471 2.976) 3.895 2.810 ( -0.519 -5.815 -2.027) 6.180 2.810 ( -0.519 5.815 -2.027) 6.180 3.013 ( -1.149 -2.376 -2.510) 3.643 3.013 ( -1.149 2.376 -2.510) 3.643 3.360 ( -2.373 -7.510 4.832) 9.240 3.360 ( -2.373 7.510 4.832) 9.240 3.639 ( -4.150 -2.990 3.461) 6.176 3.639 ( -4.150 2.990 3.461) 6.176 3.887 ( -0.255 -0.943 9.112) 9.165 3.887 ( -0.255 0.943 9.112) 9.165 3.969 ( -2.473 -6.741 6.423) 9.634 3.969 ( -2.473 6.741 6.423) 9.634 4.320 ( -4.485 -4.917 16.601) 17.886 4.320 ( -4.485 4.917 16.601) 17.886 4.660 ( -3.164 -6.300 -1.605) 7.230 4.660 ( -3.164 6.300 -1.605) 7.230 5.212 ( 3.533 -9.718 0.700) 10.364 5.212 ( 3.533 9.718 0.700) 10.364 5.627 ( -0.038 -4.572 -2.645) 5.282 5.627 ( -0.038 4.572 -2.645) 5.282 5.733 ( 0.275 -2.534 1.651) 3.037 5.733 ( 0.275 2.534 1.651) 3.037 6.005 ( -0.821 -2.488 -1.977) 3.282 6.005 ( -0.821 2.488 -1.977) 3.282 6.173 ( 2.208 -4.557 -1.803) 5.376 6.173 ( 2.208 4.557 -1.803) 5.376 6.610 ( -2.558 -1.359 -2.875) 4.081 6.610 ( -2.558 1.359 -2.875) 4.081 6.809 ( 3.831 -2.454 -1.242) 4.716 6.809 ( 3.831 2.454 -1.242) 4.716 6.979 ( -5.202 -3.922 3.759) 7.521 6.979 ( -5.202 3.922 3.759) 7.521 7.344 ( 1.042 -4.082 -1.711) 4.547 7.344 ( 1.042 4.082 -1.711) 4.547 7.422 ( 0.373 -0.875 -2.351) 2.536 7.422 ( 0.373 0.875 -2.351) 2.536 7.780 ( 1.033 -3.254 -9.274) 9.882 7.780 ( 1.033 3.254 -9.274) 9.882 7.920 ( -6.179 -7.157 -0.598) 9.474 7.920 ( -6.179 7.157 -0.598) 9.474 8.081 ( -1.211 -4.521 -11.664) 12.568 8.081 ( -1.211 4.521 -11.664) 12.568 8.268 ( 7.975 -4.240 -3.350) 9.633 8.268 ( 7.975 4.240 -3.350) 9.633 8.452 ( -4.082 -4.070 -2.717) 6.373 8.452 ( -4.082 4.070 -2.717) 6.373 8.633 ( 10.572 -4.512 -0.402) 11.502 8.633 ( 10.572 4.512 -0.402) 11.502 8.947 ( 2.300 -8.845 2.921) 9.594 8.947 ( 2.300 8.845 2.921) 9.594 9.124 ( 1.467 -12.968 4.950) 13.958 9.124 ( 1.467 12.968 4.950) 13.958 9.363 ( 5.050 -9.273 4.629) 11.529 9.363 ( 5.050 9.273 4.629) 11.529 9.563 ( -5.395 -5.279 5.300) 9.223 9.563 ( -5.395 5.279 5.300) 9.223 9.701 ( -2.502 -3.822 2.179) 5.061 9.701 ( -2.502 3.822 2.179) 5.061 9.893 ( 3.121 -1.516 10.078) 10.659 9.893 ( 3.121 1.516 10.078) 10.659 10.229 ( -10.317 -3.531 3.152) 11.351 10.229 ( -10.317 3.531 3.152) 11.351 10.453 ( -2.265 -7.729 5.876) 9.970 10.453 ( -2.265 7.729 5.876) 9.970 10.914 ( 5.010 -1.724 3.607) 6.410 10.914 ( 5.010 1.724 3.607) 6.410 11.096 ( -0.600 -8.192 0.380) 8.223 11.096 ( -0.600 8.192 0.380) 8.223 11.346 ( 4.334 -0.915 -5.605) 7.144 11.346 ( 4.334 0.915 -5.605) 7.144 11.620 ( -6.186 -2.058 4.370) 7.848 11.620 ( -6.186 2.058 4.370) 7.848 11.994 ( -1.560 -5.419 6.428) 8.551 11.994 ( -1.560 5.419 6.428) 8.551 12.276 ( -0.566 -1.672 3.455) 3.880 12.276 ( -0.566 1.672 3.455) 3.880 12.626 ( -0.212 -0.597 1.500) 1.628 12.626 ( -0.212 0.597 1.500) 1.628 12.893 ( 4.390 -5.316 -4.296) 8.123 12.893 ( 4.390 5.316 -4.296) 8.123 13.507 ( 1.130 -7.357 1.644) 7.622 13.507 ( 1.130 7.357 1.644) 7.622 13.884 ( 3.859 -7.272 -2.062) 8.487 13.884 ( 3.859 7.272 -2.062) 8.487 14.005 ( -1.304 -17.332 8.033) 19.148 14.005 ( -1.304 17.332 8.033) 19.148 14.569 ( -5.488 -13.457 -5.750) 15.629 14.569 ( -5.488 13.457 -5.750) 15.629 15.493 ( 5.454 -3.195 1.966) 6.619 15.493 ( 5.454 3.195 1.966) 6.619 15.973 ( -4.104 -11.826 -13.120) 18.134 15.973 ( -4.104 11.826 -13.120) 18.134 ======================= Grid point 112 (63/111) ======================= q-point: ( 0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 10.089 -10.479 8.818) 17.010 1.508 ( 10.089 10.479 8.818) 17.010 1.694 ( 5.387 -3.480 18.162) 19.261 1.694 ( 5.387 3.480 18.162) 19.261 1.975 ( 5.403 -1.898 -1.074) 5.827 1.975 ( 5.403 1.898 -1.074) 5.827 2.229 ( 1.081 -3.567 3.476) 5.096 2.229 ( 1.081 3.567 3.476) 5.096 2.313 ( -3.854 -0.580 0.384) 3.917 2.313 ( -3.854 0.580 0.384) 3.917 2.476 ( -4.063 -2.501 4.125) 6.307 2.476 ( -4.063 2.501 4.125) 6.307 2.543 ( -4.579 -3.464 2.317) 6.191 2.543 ( -4.579 3.464 2.317) 6.191 2.769 ( 1.073 -3.329 0.818) 3.591 2.769 ( 1.073 3.329 0.818) 3.591 2.816 ( 2.742 -6.387 0.851) 7.002 2.816 ( 2.742 6.387 0.851) 7.002 2.954 ( -3.041 -2.038 -3.492) 5.059 2.954 ( -3.041 2.038 -3.492) 5.059 3.316 ( -4.146 -1.250 3.973) 5.877 3.316 ( -4.146 1.250 3.973) 5.877 3.618 ( 0.069 -0.211 5.191) 5.196 3.618 ( 0.069 0.211 5.191) 5.196 3.838 ( -3.809 -3.043 -1.114) 5.001 3.838 ( -3.809 3.043 -1.114) 5.001 4.065 ( 0.610 -3.121 18.252) 18.527 4.065 ( 0.610 3.121 18.252) 18.527 4.339 ( -3.854 -5.123 16.387) 17.596 4.339 ( -3.854 5.123 16.387) 17.596 4.575 ( -2.991 -8.614 -1.962) 9.327 4.575 ( -2.991 8.614 -1.962) 9.327 5.250 ( -0.697 -8.220 2.179) 8.533 5.250 ( -0.697 8.220 2.179) 8.533 5.608 ( 1.310 -6.968 -6.253) 9.453 5.608 ( 1.310 6.968 -6.253) 9.453 5.767 ( 2.477 -2.402 0.665) 3.514 5.767 ( 2.477 2.402 0.665) 3.514 5.992 ( -0.982 -3.651 0.181) 3.785 5.992 ( -0.982 3.651 0.181) 3.785 6.198 ( 0.933 -4.295 -1.050) 4.519 6.198 ( 0.933 4.295 -1.050) 4.519 6.574 ( -0.067 -0.352 0.087) 0.369 6.574 ( -0.067 0.352 0.087) 0.369 6.873 ( 4.073 -2.503 -2.387) 5.343 6.873 ( 4.073 2.503 -2.387) 5.343 6.893 ( -5.228 -5.019 2.029) 7.526 6.893 ( -5.228 5.019 2.029) 7.526 7.303 ( -3.874 -0.519 -5.117) 6.439 7.303 ( -3.874 0.519 -5.117) 6.439 7.418 ( -0.573 -2.030 0.055) 2.110 7.418 ( -0.573 2.030 0.055) 2.110 7.727 ( -0.950 -2.882 -3.605) 4.712 7.727 ( -0.950 2.882 -3.605) 4.712 7.836 ( -0.574 -12.736 -2.211) 12.940 7.836 ( -0.574 12.736 -2.211) 12.940 8.034 ( 2.896 -5.018 -9.570) 11.187 8.034 ( 2.896 5.018 -9.570) 11.187 8.305 ( -4.552 -1.468 2.859) 5.573 8.305 ( -4.552 1.468 2.859) 5.573 8.442 ( 5.256 -8.616 -1.602) 10.219 8.442 ( 5.256 8.616 -1.602) 10.219 8.792 ( 6.233 -2.304 -6.866) 9.555 8.792 ( 6.233 2.304 -6.866) 9.555 9.050 ( 4.641 -8.623 1.921) 9.979 9.050 ( 4.641 8.623 1.921) 9.979 9.144 ( -3.338 -5.348 4.224) 7.588 9.144 ( -3.338 5.348 4.224) 7.588 9.411 ( -1.461 -9.368 6.606) 11.555 9.411 ( -1.461 9.368 6.606) 11.555 9.562 ( 1.690 -2.753 0.352) 3.250 9.562 ( 1.690 2.753 0.352) 3.250 9.705 ( 3.622 -3.282 1.066) 5.003 9.705 ( 3.622 3.282 1.066) 5.003 9.984 ( -0.346 -2.218 9.144) 9.415 9.984 ( -0.346 2.218 9.144) 9.415 10.074 ( -5.099 -6.400 2.893) 8.679 10.074 ( -5.099 6.400 2.893) 8.679 10.428 ( -2.353 -0.600 2.137) 3.235 10.428 ( -2.353 0.600 2.137) 3.235 10.929 ( -2.505 -4.552 -5.043) 7.241 10.929 ( -2.505 4.552 -5.043) 7.241 11.103 ( -1.783 -4.338 6.857) 8.307 11.103 ( -1.783 4.338 6.857) 8.307 11.363 ( -0.067 -5.153 -5.858) 7.802 11.363 ( -0.067 5.153 -5.858) 7.802 11.561 ( -1.317 -3.403 4.906) 6.115 11.561 ( -1.317 3.403 4.906) 6.115 12.022 ( 1.101 -3.763 4.868) 6.250 12.022 ( 1.101 3.763 4.868) 6.250 12.304 ( 0.452 -4.140 4.853) 6.395 12.304 ( 0.452 4.140 4.853) 6.395 12.607 ( -1.882 -0.516 0.084) 1.953 12.607 ( -1.882 0.516 0.084) 1.953 12.967 ( 5.641 -5.077 -4.898) 9.033 12.967 ( 5.641 5.077 -4.898) 9.033 13.512 ( -1.567 -9.017 1.234) 9.235 13.512 ( -1.567 9.017 1.234) 9.235 13.921 ( 0.887 -6.869 -1.912) 7.185 13.921 ( 0.887 6.869 -1.912) 7.185 14.030 ( 0.219 -12.886 5.035) 13.836 14.030 ( 0.219 12.886 5.035) 13.836 14.455 ( -3.567 -12.146 -3.666) 13.179 14.455 ( -3.567 12.146 -3.666) 13.179 15.563 ( 1.401 -5.705 -1.502) 6.064 15.563 ( 1.401 5.705 -1.502) 6.064 15.846 ( -1.897 -7.220 -8.481) 11.298 15.846 ( -1.897 7.220 -8.481) 11.298 ======================= Grid point 114 (64/111) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 9.437 -7.098 4.658) 12.694 1.741 ( 9.437 7.098 4.658) 12.694 1.885 ( 5.163 -0.410 13.601) 14.553 1.885 ( 5.163 0.410 13.601) 14.553 2.109 ( 7.054 -2.846 1.019) 7.674 2.109 ( 7.054 2.846 1.019) 7.674 2.194 ( -7.900 -1.471 0.801) 8.076 2.194 ( -7.900 1.471 0.801) 8.076 2.268 ( -0.240 -3.093 2.380) 3.910 2.268 ( -0.240 3.093 2.380) 3.910 2.427 ( -2.176 -1.625 3.477) 4.412 2.427 ( -2.176 1.625 3.477) 4.412 2.472 ( -4.043 -3.735 4.659) 7.211 2.472 ( -4.043 3.735 4.659) 7.211 2.738 ( -3.833 -2.384 -0.806) 4.585 2.738 ( -3.833 2.384 -0.806) 4.585 2.832 ( -1.689 -4.727 -1.887) 5.362 2.832 ( -1.689 4.727 -1.887) 5.362 2.899 ( 0.300 -1.730 -3.517) 3.931 2.899 ( 0.300 1.730 -3.517) 3.931 3.269 ( -3.137 -2.686 4.397) 6.032 3.269 ( -3.137 2.686 4.397) 6.032 3.647 ( -1.572 -4.947 4.006) 6.556 3.647 ( -1.572 4.947 4.006) 6.556 3.801 ( 0.507 -6.128 2.550) 6.656 3.801 ( 0.507 6.128 2.550) 6.656 4.133 ( -4.237 -0.675 18.024) 18.527 4.133 ( -4.237 0.675 18.024) 18.527 4.364 ( -2.930 -4.706 14.444) 15.471 4.364 ( -2.930 4.706 14.444) 15.471 4.545 ( 0.595 -8.926 -1.509) 9.072 4.545 ( 0.595 8.926 -1.509) 9.072 5.225 ( -1.549 -6.392 -0.852) 6.632 5.225 ( -1.549 6.392 -0.852) 6.632 5.610 ( 2.131 -7.199 -6.054) 9.645 5.610 ( 2.131 7.199 -6.054) 9.645 5.821 ( 1.880 -3.767 1.564) 4.492 5.821 ( 1.880 3.767 1.564) 4.492 5.945 ( -4.029 -4.306 0.097) 5.898 5.945 ( -4.029 4.306 0.097) 5.898 6.193 ( -0.437 -2.156 0.096) 2.202 6.193 ( -0.437 2.156 0.096) 2.202 6.603 ( 1.886 -1.898 2.009) 3.346 6.603 ( 1.886 1.898 2.009) 3.346 6.791 ( -5.537 -5.343 0.920) 7.749 6.791 ( -5.537 5.343 0.920) 7.749 6.962 ( 5.675 -2.969 -3.311) 7.210 6.962 ( 5.675 2.969 -3.311) 7.210 7.212 ( -0.692 -2.230 -3.324) 4.062 7.212 ( -0.692 2.230 -3.324) 4.062 7.379 ( -3.423 -4.100 2.385) 5.849 7.379 ( -3.423 4.100 2.385) 5.849 7.735 ( 2.575 -1.481 -1.127) 3.177 7.735 ( 2.575 1.481 -1.127) 3.177 7.855 ( 2.426 -12.290 -2.219) 12.722 7.855 ( 2.426 12.290 -2.219) 12.722 8.058 ( 3.352 -5.689 -6.200) 9.058 8.058 ( 3.352 5.689 -6.200) 9.058 8.242 ( -1.273 -1.252 0.142) 1.791 8.242 ( -1.273 1.252 0.142) 1.791 8.530 ( 3.057 -3.863 2.964) 5.750 8.530 ( 3.057 3.863 2.964) 5.750 8.827 ( 1.626 -1.744 -5.681) 6.161 8.827 ( 1.626 1.744 -5.681) 6.161 9.042 ( -4.614 -3.057 -0.316) 5.543 9.042 ( -4.614 3.057 -0.316) 5.543 9.097 ( -1.999 -3.031 1.930) 4.112 9.097 ( -1.999 3.031 1.930) 4.112 9.447 ( -0.402 -8.785 8.566) 12.277 9.447 ( -0.402 8.785 8.566) 12.277 9.541 ( -1.684 -11.249 -3.541) 11.913 9.541 ( -1.684 11.249 -3.541) 11.913 9.825 ( 4.592 -4.941 0.944) 6.811 9.825 ( 4.592 4.941 0.944) 6.811 10.024 ( 3.449 -2.126 6.993) 8.082 10.024 ( 3.449 2.126 6.993) 8.082 10.061 ( -1.192 -1.656 2.790) 3.456 10.061 ( -1.192 1.656 2.790) 3.456 10.398 ( -1.987 -3.814 1.018) 4.419 10.398 ( -1.987 3.814 1.018) 4.419 10.800 ( -6.814 -9.248 -6.900) 13.400 10.800 ( -6.814 9.248 -6.900) 13.400 11.088 ( -2.445 -1.860 3.724) 4.828 11.088 ( -2.445 1.860 3.724) 4.828 11.294 ( -3.141 -2.199 -3.659) 5.300 11.294 ( -3.141 2.199 -3.659) 5.300 11.603 ( 2.275 -5.167 1.494) 5.840 11.603 ( 2.275 5.167 1.494) 5.840 12.088 ( 2.380 -1.819 5.706) 6.445 12.088 ( 2.380 1.819 5.706) 6.445 12.331 ( -0.841 -3.912 5.737) 6.995 12.331 ( -0.841 3.912 5.737) 6.995 12.580 ( -0.315 -1.518 -0.404) 1.602 12.580 ( -0.315 1.518 -0.404) 1.602 13.037 ( 4.588 -3.486 -6.086) 8.381 13.037 ( 4.588 3.486 -6.086) 8.381 13.460 ( -4.641 -7.852 1.893) 9.316 13.460 ( -4.641 7.852 1.893) 9.316 13.913 ( -0.249 -10.487 -0.827) 10.523 13.913 ( -0.249 10.487 -0.827) 10.523 14.058 ( 0.802 -8.009 -0.196) 8.052 14.058 ( 0.802 8.009 -0.196) 8.052 14.389 ( -1.699 -11.515 -2.035) 11.816 14.389 ( -1.699 11.515 -2.035) 11.816 15.543 ( -0.906 -7.582 -3.601) 8.443 15.543 ( -0.906 7.582 -3.601) 8.443 15.806 ( 0.992 -2.664 -5.385) 6.089 15.806 ( 0.992 2.664 -5.385) 6.089 ======================= Grid point 116 (65/111) ======================= q-point: (-0.56 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 3.180 -2.785 2.241) 4.785 1.895 ( 3.180 2.785 2.241) 4.785 1.994 ( -5.226 -3.773 3.908) 7.538 1.994 ( -5.226 3.773 3.908) 7.538 2.077 ( -0.464 -0.841 6.784) 6.852 2.077 ( -0.464 0.841 6.784) 6.852 2.170 ( -3.268 -3.941 3.777) 6.362 2.170 ( -3.268 3.941 3.777) 6.362 2.265 ( 3.114 -1.443 1.556) 3.769 2.265 ( 3.114 1.443 1.556) 3.769 2.375 ( -5.007 -1.722 3.435) 6.312 2.375 ( -5.007 1.722 3.435) 6.312 2.499 ( -2.096 -0.447 3.750) 4.319 2.499 ( -2.096 0.447 3.750) 4.319 2.674 ( 1.716 -2.101 1.092) 2.924 2.674 ( 1.716 2.101 1.092) 2.924 2.791 ( -1.225 -6.188 -2.674) 6.852 2.791 ( -1.225 6.188 -2.674) 6.852 2.895 ( 1.700 -2.018 -4.381) 5.114 2.895 ( 1.700 2.018 -4.381) 5.114 3.252 ( -0.976 -0.759 4.306) 4.480 3.252 ( -0.976 0.759 4.306) 4.480 3.628 ( -0.709 -4.707 1.991) 5.160 3.628 ( -0.709 4.707 1.991) 5.160 3.838 ( -0.335 -7.473 5.142) 9.078 3.838 ( -0.335 7.473 5.142) 9.078 4.118 ( -8.051 -1.490 16.945) 18.820 4.118 ( -8.051 1.490 16.945) 18.820 4.335 ( -9.100 -7.321 14.798) 18.852 4.335 ( -9.100 7.321 14.798) 18.852 4.599 ( 6.339 -9.812 -2.290) 11.904 4.599 ( 6.339 9.812 -2.290) 11.904 5.180 ( -2.267 -5.478 -4.839) 7.652 5.180 ( -2.267 5.478 -4.839) 7.652 5.612 ( 1.613 -4.831 -5.009) 7.144 5.612 ( 1.613 4.831 -5.009) 7.144 5.826 ( -1.645 -1.853 0.088) 2.479 5.826 ( -1.645 1.853 0.088) 2.479 5.883 ( -2.746 -8.073 4.117) 9.469 5.883 ( -2.746 8.073 4.117) 9.469 6.206 ( 1.389 -1.109 0.979) 2.029 6.206 ( 1.389 1.109 0.979) 2.029 6.654 ( 1.531 -3.459 1.112) 3.943 6.654 ( 1.531 3.459 1.112) 3.943 6.716 ( -1.521 -1.768 0.791) 2.462 6.716 ( -1.521 1.768 0.791) 2.462 7.002 ( 0.062 -4.453 -0.084) 4.454 7.002 ( 0.062 4.453 -0.084) 4.454 7.252 ( 2.399 -2.697 -0.859) 3.710 7.252 ( 2.399 2.697 -0.859) 3.710 7.376 ( 4.269 -6.895 0.326) 8.116 7.376 ( 4.269 6.895 0.326) 8.116 7.771 ( 1.405 -0.848 -3.195) 3.592 7.771 ( 1.405 0.848 -3.195) 3.592 7.865 ( 0.229 -9.014 -0.803) 9.052 7.865 ( 0.229 9.014 -0.803) 9.052 8.085 ( 2.253 -3.763 -1.359) 4.592 8.085 ( 2.253 3.763 -1.359) 4.592 8.288 ( 6.531 -4.139 -3.898) 8.659 8.288 ( 6.531 4.139 -3.898) 8.659 8.596 ( 0.945 -1.306 6.535) 6.731 8.596 ( 0.945 1.306 6.535) 6.731 8.799 ( -1.491 -4.332 -1.908) 4.963 8.799 ( -1.491 4.332 -1.908) 4.963 8.973 ( -1.542 -2.315 -1.882) 3.358 8.973 ( -1.542 2.315 -1.882) 3.358 9.084 ( 0.278 -2.665 -0.014) 2.680 9.084 ( 0.278 2.665 -0.014) 2.680 9.400 ( -6.373 -7.328 2.943) 10.147 9.400 ( -6.373 7.328 2.943) 10.147 9.569 ( 3.355 -9.958 3.775) 11.166 9.569 ( 3.355 9.958 3.775) 11.166 9.863 ( 0.588 -4.945 -0.442) 4.999 9.863 ( 0.588 4.945 -0.442) 4.999 10.000 ( -5.652 -4.009 2.762) 7.459 10.000 ( -5.652 4.009 2.762) 7.459 10.176 ( 5.019 -3.011 0.498) 5.874 10.176 ( 5.019 3.011 0.498) 5.874 10.333 ( -6.505 -5.104 5.878) 10.145 10.333 ( -6.505 5.104 5.878) 10.145 10.632 ( -4.443 -8.483 -10.138) 13.945 10.632 ( -4.443 8.483 -10.138) 13.945 11.059 ( -1.957 -3.642 -0.084) 4.136 11.059 ( -1.957 3.642 -0.084) 4.136 11.239 ( -0.415 -6.517 -1.099) 6.622 11.239 ( -0.415 6.517 -1.099) 6.622 11.636 ( 0.958 -5.368 -1.404) 5.631 11.636 ( 0.958 5.368 -1.404) 5.631 12.145 ( -1.259 -3.924 7.510) 8.566 12.145 ( -1.259 3.924 7.510) 8.566 12.364 ( 2.107 -1.132 4.734) 5.304 12.364 ( 2.107 1.132 4.734) 5.304 12.595 ( 1.552 -1.903 0.704) 2.555 12.595 ( 1.552 1.903 0.704) 2.555 13.063 ( 1.855 -1.436 -7.139) 7.515 13.063 ( 1.855 1.436 -7.139) 7.515 13.371 ( -5.514 -3.602 2.261) 6.964 13.371 ( -5.514 3.602 2.261) 6.964 13.913 ( 0.426 -10.827 -0.046) 10.836 13.913 ( 0.426 10.827 -0.046) 10.836 14.048 ( -0.739 -5.446 -3.515) 6.524 14.048 ( -0.739 5.446 -3.515) 6.524 14.368 ( 0.507 -11.419 -1.111) 11.484 14.368 ( 0.507 11.419 -1.111) 11.484 15.519 ( 0.684 -6.715 -3.206) 7.472 15.519 ( 0.684 6.715 -3.206) 7.472 15.797 ( 0.973 -1.239 -5.257) 5.488 15.797 ( 0.973 1.239 -5.257) 5.488 ======================= Grid point 118 (66/111) ======================= q-point: (-0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -12.521 -5.696 2.132) 13.920 1.792 ( -12.521 5.696 2.132) 13.920 1.875 ( -8.945 -2.651 6.488) 11.364 1.875 ( -8.945 2.651 6.488) 11.364 2.101 ( -0.464 -2.337 0.658) 2.472 2.101 ( -0.464 2.337 0.658) 2.472 2.220 ( 3.939 -1.870 7.021) 8.265 2.220 ( 3.939 1.870 7.021) 8.265 2.290 ( -3.990 -1.567 1.966) 4.716 2.290 ( -3.990 1.567 1.966) 4.716 2.348 ( 0.020 -2.318 2.589) 3.475 2.348 ( 0.020 2.318 2.589) 3.475 2.441 ( -1.330 -2.726 6.575) 7.241 2.441 ( -1.330 2.726 6.575) 7.241 2.715 ( -0.549 -6.497 -4.987) 8.209 2.715 ( -0.549 6.497 -4.987) 8.209 2.794 ( 2.342 -3.446 1.112) 4.313 2.794 ( 2.342 3.446 1.112) 4.313 2.923 ( 3.764 -2.291 -4.257) 6.126 2.923 ( 3.764 2.291 -4.257) 6.126 3.281 ( 0.459 -4.078 5.427) 6.804 3.281 ( 0.459 4.078 5.427) 6.804 3.664 ( 3.841 -2.798 -1.163) 4.893 3.664 ( 3.841 2.798 -1.163) 4.893 3.836 ( -3.321 -3.730 5.736) 7.605 3.836 ( -3.321 3.730 5.736) 7.605 3.998 ( -10.875 -1.895 8.888) 14.173 3.998 ( -10.875 1.895 8.888) 14.173 4.241 ( -10.791 -6.241 22.947) 26.115 4.241 ( -10.791 6.241 22.947) 26.115 4.726 ( 7.147 -8.716 -1.245) 11.340 4.726 ( 7.147 8.716 -1.245) 11.340 5.086 ( -4.002 -4.356 -4.006) 7.144 5.086 ( -4.002 4.356 -4.006) 7.144 5.612 ( 1.103 -1.664 -5.113) 5.489 5.612 ( 1.103 1.664 -5.113) 5.489 5.815 ( -1.156 -3.992 1.769) 4.517 5.815 ( -1.156 3.992 1.769) 4.517 5.866 ( 0.551 -4.034 1.841) 4.468 5.866 ( 0.551 4.034 1.841) 4.468 6.243 ( 1.784 -1.257 -0.220) 2.194 6.243 ( 1.784 1.257 -0.220) 2.194 6.646 ( -0.982 -3.304 1.688) 3.838 6.646 ( -0.982 3.304 1.688) 3.838 6.761 ( 2.476 -1.773 2.683) 4.058 6.761 ( 2.476 1.773 2.683) 4.058 7.006 ( 0.987 -5.319 -0.712) 5.456 7.006 ( 0.987 5.319 -0.712) 5.456 7.245 ( -1.462 -2.586 -0.340) 2.990 7.245 ( -1.462 2.586 -0.340) 2.990 7.489 ( 4.488 -6.399 0.467) 7.830 7.489 ( 4.488 6.399 0.467) 7.830 7.768 ( 2.338 -1.375 -7.522) 7.996 7.768 ( 2.338 1.375 -7.522) 7.996 7.886 ( 2.005 -3.709 1.034) 4.342 7.886 ( 2.005 3.709 1.034) 4.342 8.125 ( 1.960 -0.753 -0.124) 2.104 8.125 ( 1.960 0.753 -0.124) 2.104 8.410 ( 8.318 -6.137 -6.143) 12.024 8.410 ( 8.318 6.137 -6.143) 12.024 8.615 ( -3.100 -3.639 5.868) 7.569 8.615 ( -3.100 3.639 5.868) 7.569 8.798 ( 1.721 -2.296 1.657) 3.313 8.798 ( 1.721 2.296 1.657) 3.313 8.975 ( 2.819 -2.571 -0.598) 3.862 8.975 ( 2.819 2.571 -0.598) 3.862 9.077 ( -1.472 -1.860 -0.658) 2.462 9.077 ( -1.472 1.860 -0.658) 2.462 9.319 ( -3.539 -12.543 4.701) 13.854 9.319 ( -3.539 12.543 4.701) 13.854 9.640 ( 0.812 -10.078 3.964) 10.860 9.640 ( 0.812 10.078 3.964) 10.860 9.838 ( -4.444 -3.951 -2.236) 6.353 9.838 ( -4.444 3.951 -2.236) 6.353 9.898 ( -5.929 -6.502 2.402) 9.122 9.898 ( -5.929 6.502 2.402) 9.122 10.104 ( -5.172 -7.081 -0.759) 8.801 10.104 ( -5.172 7.081 -0.759) 8.801 10.315 ( -2.285 -5.770 2.733) 6.782 10.315 ( -2.285 5.770 2.733) 6.782 10.548 ( 0.685 -4.256 -4.825) 6.470 10.548 ( 0.685 4.256 -4.825) 6.470 11.021 ( -0.473 -0.830 -3.024) 3.172 11.021 ( -0.473 0.830 -3.024) 3.172 11.272 ( 3.229 -11.353 1.517) 11.900 11.272 ( 3.229 11.353 1.517) 11.900 11.626 ( -0.662 -5.937 -2.334) 6.414 11.626 ( -0.662 5.937 -2.334) 6.414 12.132 ( -4.014 -6.913 8.168) 11.429 12.132 ( -4.014 6.913 8.168) 11.429 12.450 ( 3.379 -4.243 3.382) 6.392 12.450 ( 3.379 4.243 3.382) 6.392 12.637 ( 1.671 -1.117 2.070) 2.885 12.637 ( 1.671 1.117 2.070) 2.885 13.028 ( -0.892 -1.595 -7.374) 7.597 13.028 ( -0.892 1.595 -7.374) 7.597 13.288 ( -4.091 -2.924 1.751) 5.325 13.288 ( -4.091 2.924 1.751) 5.325 13.919 ( -0.218 -9.172 0.715) 9.203 13.919 ( -0.218 9.172 0.715) 9.203 13.996 ( -2.090 -4.593 -4.778) 6.950 13.996 ( -2.090 4.593 -4.778) 6.950 14.402 ( 3.725 -12.299 -0.452) 12.859 14.402 ( 3.725 12.299 -0.452) 12.859 15.524 ( 1.035 -3.882 -3.454) 5.298 15.524 ( 1.035 3.882 -3.454) 5.298 15.793 ( 2.356 -2.516 -5.235) 6.268 15.793 ( 2.356 2.516 -5.235) 6.268 ======================= Grid point 120 (67/111) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -15.446 -7.430 4.556) 17.735 1.534 ( -15.446 7.430 4.556) 17.735 1.719 ( -12.400 -6.646 10.910) 17.803 1.719 ( -12.400 6.646 10.910) 17.803 2.083 ( -2.312 -3.491 2.104) 4.686 2.083 ( -2.312 3.491 2.104) 4.686 2.240 ( -2.357 -1.562 2.459) 3.747 2.240 ( -2.357 1.562 2.459) 3.747 2.316 ( -0.450 -1.456 2.639) 3.048 2.316 ( -0.450 1.456 2.639) 3.048 2.348 ( 3.039 -0.317 4.337) 5.306 2.348 ( 3.039 0.317 4.337) 5.306 2.502 ( 0.886 -3.650 5.752) 6.869 2.502 ( 0.886 3.650 5.752) 6.869 2.677 ( 0.008 -5.418 -2.472) 5.956 2.677 ( 0.008 5.418 -2.472) 5.956 2.816 ( 0.341 -3.421 -1.534) 3.765 2.816 ( 0.341 3.421 -1.534) 3.765 2.973 ( 3.550 -2.709 -4.498) 6.338 2.973 ( 3.550 2.709 -4.498) 6.338 3.297 ( -2.187 -2.729 5.668) 6.660 3.297 ( -2.187 2.729 5.668) 6.660 3.634 ( -9.609 -8.441 -1.424) 12.869 3.634 ( -9.609 8.441 -1.424) 12.869 3.816 ( 5.149 -3.009 0.371) 5.975 3.816 ( 5.149 3.009 0.371) 5.975 3.956 ( -2.123 -8.047 16.131) 18.151 3.956 ( -2.123 8.047 16.131) 18.151 4.195 ( -7.015 -3.147 21.762) 23.080 4.195 ( -7.015 3.147 21.762) 23.080 4.840 ( 5.356 -7.328 -1.541) 9.207 4.840 ( 5.356 7.328 -1.541) 9.207 5.003 ( -3.147 -2.359 -1.334) 4.153 5.003 ( -3.147 2.359 -1.334) 4.153 5.604 ( 0.776 -5.484 -2.992) 6.295 5.604 ( 0.776 5.484 -2.992) 6.295 5.761 ( -4.082 -4.869 1.466) 6.521 5.761 ( -4.082 4.869 1.466) 6.521 5.950 ( 6.934 -2.295 -3.523) 8.109 5.950 ( 6.934 2.295 -3.523) 8.109 6.253 ( -0.599 -4.691 -1.129) 4.862 6.253 ( -0.599 4.691 -1.129) 4.862 6.658 ( 0.886 -1.575 1.416) 2.296 6.658 ( 0.886 1.575 1.416) 2.296 6.804 ( 0.279 -0.274 3.775) 3.796 6.804 ( 0.279 0.274 3.775) 3.796 7.018 ( 0.022 -5.217 0.538) 5.245 7.018 ( 0.022 5.217 0.538) 5.245 7.226 ( 0.395 -4.194 -1.516) 4.477 7.226 ( 0.395 4.194 -1.516) 4.477 7.537 ( -0.055 -3.884 2.843) 4.813 7.537 ( -0.055 3.884 2.843) 4.813 7.749 ( -0.244 -7.335 -6.408) 9.743 7.749 ( -0.244 7.335 -6.408) 9.743 7.949 ( 4.331 -4.284 -4.444) 7.541 7.949 ( 4.331 4.284 -4.444) 7.541 8.149 ( 1.148 -4.796 -1.538) 5.166 8.149 ( 1.148 4.796 -1.538) 5.166 8.490 ( 1.637 -4.028 -6.228) 7.596 8.490 ( 1.637 4.028 -6.228) 7.596 8.583 ( -0.619 -4.434 2.606) 5.180 8.583 ( -0.619 4.434 2.606) 5.180 8.836 ( 0.688 -2.518 -0.985) 2.790 8.836 ( 0.688 2.518 -0.985) 2.790 8.988 ( -0.517 -2.684 -4.438) 5.212 8.988 ( -0.517 2.684 -4.438) 5.212 9.104 ( 1.783 -2.824 6.605) 7.401 9.104 ( 1.783 2.824 6.605) 7.401 9.308 ( -1.146 -10.676 8.136) 13.472 9.308 ( -1.146 10.676 8.136) 13.472 9.637 ( -2.363 -8.456 1.943) 8.993 9.637 ( -2.363 8.456 1.943) 8.993 9.667 ( -10.162 -2.618 3.195) 10.969 9.667 ( -10.162 2.618 3.195) 10.969 9.812 ( -3.888 -12.763 1.631) 13.441 9.812 ( -3.888 12.763 1.631) 13.441 10.110 ( 2.892 -3.885 -1.191) 4.987 10.110 ( 2.892 3.885 -1.191) 4.987 10.251 ( -1.269 -6.607 -2.129) 7.056 10.251 ( -1.269 6.607 -2.129) 7.056 10.583 ( 1.920 -9.147 4.544) 10.392 10.583 ( 1.920 9.147 4.544) 10.392 11.017 ( 2.165 -1.924 -3.745) 4.734 11.017 ( 2.165 1.924 -3.745) 4.734 11.352 ( 3.585 -9.057 0.125) 9.742 11.352 ( 3.585 9.057 0.125) 9.742 11.595 ( -1.105 -4.699 -0.412) 4.844 11.595 ( -1.105 4.699 -0.412) 4.844 12.100 ( -4.245 -6.472 8.713) 11.655 12.100 ( -4.245 6.472 8.713) 11.655 12.508 ( 0.745 -4.478 2.398) 5.134 12.508 ( 0.745 4.478 2.398) 5.134 12.659 ( -1.215 -0.371 2.048) 2.410 12.659 ( -1.215 0.371 2.048) 2.410 12.958 ( -2.009 -3.896 -6.705) 8.011 12.958 ( -2.009 3.896 -6.705) 8.011 13.247 ( -0.858 -5.364 1.757) 5.709 13.247 ( -0.858 5.364 1.757) 5.709 13.906 ( -0.673 -5.082 -4.477) 6.806 13.906 ( -0.673 5.082 -4.477) 6.806 13.929 ( -2.867 -6.393 1.385) 7.142 13.929 ( -2.867 6.393 1.385) 7.142 14.506 ( 6.994 -13.913 0.204) 15.573 14.506 ( 6.994 13.913 0.204) 15.573 15.488 ( -2.633 -1.527 -4.711) 5.609 15.488 ( -2.633 1.527 -4.711) 5.609 15.853 ( 7.279 -8.791 -5.279) 12.576 15.853 ( 7.279 8.791 -5.279) 12.576 ======================= Grid point 122 (68/111) ======================= q-point: (-0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -12.338 -10.406 8.788) 18.378 1.297 ( -12.338 10.406 8.788) 18.378 1.548 ( -12.239 -8.068 14.713) 20.769 1.548 ( -12.239 8.068 14.713) 20.769 1.990 ( -9.866 -1.437 4.534) 10.953 1.990 ( -9.866 1.437 4.534) 10.953 2.213 ( -2.350 -3.632 1.299) 4.517 2.213 ( -2.350 3.632 1.299) 4.517 2.319 ( 0.297 -0.934 2.472) 2.659 2.319 ( 0.297 0.934 2.472) 2.659 2.446 ( 3.692 -2.133 4.014) 5.856 2.446 ( 3.692 2.133 4.014) 5.856 2.536 ( 0.744 -3.568 4.570) 5.845 2.536 ( 0.744 3.568 4.570) 5.845 2.684 ( 0.037 -6.087 1.490) 6.267 2.684 ( 0.037 6.087 1.490) 6.267 2.796 ( -0.549 -5.273 -3.494) 6.349 2.796 ( -0.549 5.273 -3.494) 6.349 3.000 ( 1.902 -2.606 -3.641) 4.865 3.000 ( 1.902 2.606 -3.641) 4.865 3.292 ( -1.166 -1.541 5.791) 6.105 3.292 ( -1.166 1.541 5.791) 6.105 3.488 ( -3.110 -4.999 1.138) 5.996 3.488 ( -3.110 4.999 1.138) 5.996 3.934 ( 2.524 -2.156 5.454) 6.385 3.934 ( 2.524 2.156 5.454) 6.385 3.998 ( -2.934 -2.763 16.872) 17.346 3.998 ( -2.934 2.763 16.872) 17.346 4.231 ( 0.504 -3.046 12.617) 12.989 4.231 ( 0.504 3.046 12.617) 12.989 4.891 ( -2.144 -2.332 -0.444) 3.199 4.891 ( -2.144 2.332 -0.444) 3.199 4.954 ( 1.468 -5.607 -2.942) 6.500 4.954 ( 1.468 5.607 -2.942) 6.500 5.603 ( -0.369 -3.821 -0.222) 3.846 5.603 ( -0.369 3.821 -0.222) 3.846 5.718 ( 0.090 -1.942 -0.184) 1.953 5.718 ( 0.090 1.942 -0.184) 1.953 6.050 ( 5.864 -3.059 -6.474) 9.255 6.050 ( 5.864 3.059 -6.474) 9.255 6.214 ( -2.796 -5.406 -0.113) 6.087 6.214 ( -2.796 5.406 -0.113) 6.087 6.671 ( -0.020 -3.401 -0.203) 3.408 6.671 ( -0.020 3.401 -0.203) 3.408 6.817 ( -0.466 -0.400 0.080) 0.619 6.817 ( -0.466 0.400 0.080) 0.619 7.040 ( 0.402 -5.761 8.880) 10.593 7.040 ( 0.402 5.761 8.880) 10.593 7.239 ( 1.919 -2.593 -2.679) 4.193 7.239 ( 1.919 2.593 -2.679) 4.193 7.515 ( -2.764 -1.613 1.553) 3.557 7.515 ( -2.764 1.613 1.553) 3.557 7.697 ( -3.785 -6.576 -0.760) 7.625 7.697 ( -3.785 6.576 -0.760) 7.625 7.973 ( 3.701 -2.140 -11.738) 12.493 7.973 ( 3.701 2.140 -11.738) 12.493 8.148 ( 0.133 -6.325 -5.380) 8.305 8.148 ( 0.133 6.325 -5.380) 8.305 8.417 ( -4.565 -0.536 -1.625) 4.875 8.417 ( -4.565 0.536 -1.625) 4.875 8.603 ( 0.948 -2.819 -4.622) 5.496 8.603 ( 0.948 2.819 -4.622) 5.496 8.794 ( -0.998 -9.955 -6.472) 11.916 8.794 ( -0.998 9.955 -6.472) 11.916 9.000 ( -0.775 -1.686 4.034) 4.440 9.000 ( -0.775 1.686 4.034) 4.440 9.062 ( -3.679 -9.117 0.171) 9.832 9.062 ( -3.679 9.117 0.171) 9.832 9.393 ( -2.929 -0.726 9.597) 10.060 9.393 ( -2.929 0.726 9.597) 10.060 9.491 ( -3.381 -2.398 2.702) 4.948 9.491 ( -3.381 2.398 2.702) 4.948 9.666 ( -0.419 -8.635 9.512) 12.853 9.666 ( -0.419 8.635 9.512) 12.853 9.786 ( 0.546 -11.086 1.449) 11.193 9.786 ( 0.546 11.086 1.449) 11.193 10.093 ( -2.708 -10.549 4.103) 11.638 10.093 ( -2.708 10.549 4.103) 11.638 10.328 ( 6.747 -1.905 1.970) 7.282 10.328 ( 6.747 1.905 1.970) 7.282 10.647 ( 1.460 -8.239 5.161) 9.831 10.647 ( 1.460 8.239 5.161) 9.831 11.063 ( 4.991 -2.406 -4.049) 6.862 11.063 ( 4.991 2.406 -4.049) 6.862 11.352 ( -2.790 -4.576 -4.489) 6.991 11.352 ( -2.790 4.576 -4.489) 6.991 11.622 ( 2.988 -9.150 3.702) 10.313 11.622 ( 2.988 9.150 3.702) 10.313 12.067 ( -4.812 -3.781 10.136) 11.840 12.067 ( -4.812 3.781 10.136) 11.840 12.498 ( -3.183 -2.132 1.871) 4.263 12.498 ( -3.183 2.132 1.871) 4.263 12.615 ( -3.500 -0.533 1.251) 3.755 12.615 ( -3.500 0.533 1.251) 3.755 12.887 ( -1.402 -3.495 -5.602) 6.750 12.887 ( -1.402 3.495 -5.602) 6.750 13.282 ( 2.881 -4.606 2.837) 6.129 13.282 ( 2.881 4.606 2.837) 6.129 13.844 ( -1.573 -7.383 -5.525) 9.355 13.844 ( -1.573 7.383 -5.525) 9.355 13.919 ( -0.961 -11.292 5.062) 12.412 13.919 ( -0.961 11.292 5.062) 12.412 14.658 ( 8.458 -15.369 -0.659) 17.555 14.658 ( 8.458 15.369 -0.659) 17.555 15.382 ( -5.266 -3.519 -3.698) 7.334 15.382 ( -5.266 3.519 -3.698) 7.334 15.990 ( 10.175 -12.829 -8.196) 18.311 15.990 ( 10.175 12.829 -8.196) 18.311 ======================= Grid point 124 (69/111) ======================= q-point: (-0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -5.767 -8.347 12.939) 16.443 1.186 ( -5.767 8.347 12.939) 16.443 1.440 ( -7.946 -6.681 14.410) 17.760 1.440 ( -7.946 6.681 14.410) 17.760 1.819 ( -10.270 -6.881 12.816) 17.807 1.819 ( -10.270 6.881 12.816) 17.807 2.163 ( -2.530 -3.166 -1.039) 4.183 2.163 ( -2.530 3.166 -1.039) 4.183 2.340 ( 0.054 -0.515 2.764) 2.812 2.340 ( 0.054 0.515 2.764) 2.812 2.511 ( -0.176 -3.610 4.387) 5.684 2.511 ( -0.176 3.610 4.387) 5.684 2.566 ( -0.586 -2.755 3.387) 4.405 2.566 ( -0.586 2.755 3.387) 4.405 2.690 ( 0.147 -3.116 1.616) 3.513 2.690 ( 0.147 3.116 1.616) 3.513 2.795 ( 2.891 -7.605 -3.124) 8.715 2.795 ( 2.891 7.605 -3.124) 8.715 3.016 ( 1.528 -2.148 -1.934) 3.269 3.016 ( 1.528 2.148 -1.934) 3.269 3.314 ( 0.167 -3.338 5.079) 6.080 3.314 ( 0.167 3.338 5.079) 6.080 3.524 ( 3.904 -0.267 3.896) 5.522 3.524 ( 3.904 0.267 3.896) 5.522 3.933 ( -8.731 -0.903 21.760) 23.464 3.933 ( -8.731 0.903 21.760) 23.464 4.046 ( 1.724 -3.556 -2.412) 4.629 4.046 ( 1.724 3.556 -2.412) 4.629 4.335 ( 2.724 -1.486 8.427) 8.980 4.335 ( 2.724 1.486 8.427) 8.980 4.758 ( -8.711 -2.742 0.331) 9.138 4.758 ( -8.711 2.742 0.331) 9.138 5.024 ( 5.767 -8.581 -2.325) 10.597 5.024 ( 5.767 8.581 -2.325) 10.597 5.601 ( 0.604 -3.703 0.331) 3.767 5.601 ( 0.604 3.703 0.331) 3.767 5.743 ( 0.884 -2.382 0.894) 2.694 5.743 ( 0.884 2.382 0.894) 2.694 6.089 ( 2.048 -4.043 -6.212) 7.690 6.089 ( 2.048 4.043 -6.212) 7.690 6.157 ( -2.212 -1.430 -1.284) 2.930 6.157 ( -2.212 1.430 -1.284) 2.930 6.676 ( 1.085 -3.141 -0.005) 3.323 6.676 ( 1.085 3.141 -0.005) 3.323 6.780 ( -2.616 -2.308 -1.349) 3.740 6.780 ( -2.616 2.308 -1.349) 3.740 7.097 ( -1.967 -3.218 6.586) 7.590 7.097 ( -1.967 3.218 6.586) 7.590 7.269 ( 3.391 -1.375 -0.054) 3.659 7.269 ( 3.391 1.375 -0.054) 3.659 7.494 ( -2.732 -2.474 1.783) 4.094 7.494 ( -2.732 2.474 1.783) 4.094 7.627 ( 0.611 -5.208 3.339) 6.216 7.627 ( 0.611 5.208 3.339) 6.216 7.964 ( 1.974 -1.224 -12.436) 12.651 7.964 ( 1.974 1.224 -12.436) 12.651 8.098 ( 0.502 -8.913 -9.096) 12.745 8.098 ( 0.502 8.913 -9.096) 12.745 8.336 ( -2.478 -1.318 -5.082) 5.806 8.336 ( -2.478 1.318 -5.082) 5.806 8.543 ( -2.603 -2.584 -7.378) 8.239 8.543 ( -2.603 2.584 -7.378) 8.239 8.752 ( -1.909 -5.261 -4.287) 7.050 8.752 ( -1.909 5.261 -4.287) 7.050 8.939 ( -3.639 -9.730 4.210) 11.209 8.939 ( -3.639 9.730 4.210) 11.209 9.078 ( 0.365 -4.180 2.249) 4.761 9.078 ( 0.365 4.180 2.249) 4.761 9.261 ( -7.328 -5.554 4.005) 10.029 9.261 ( -7.328 5.554 4.005) 10.029 9.550 ( 0.561 -3.918 9.523) 10.312 9.550 ( 0.561 3.918 9.523) 10.312 9.726 ( -0.090 -9.215 10.458) 13.939 9.726 ( -0.090 9.215 10.458) 13.939 9.795 ( -1.278 -9.663 1.447) 9.854 9.795 ( -1.278 9.663 1.447) 9.854 10.156 ( 4.825 -11.949 10.155) 16.407 10.156 ( 4.825 11.949 10.155) 16.407 10.458 ( 2.004 -12.093 11.725) 16.962 10.458 ( 2.004 12.093 11.725) 16.962 10.687 ( 1.426 -6.548 -0.175) 6.704 10.687 ( 1.426 6.548 -0.175) 6.704 11.154 ( 6.558 -0.300 -5.836) 8.784 11.154 ( 6.558 0.300 -5.836) 8.784 11.239 ( -4.894 -5.131 -2.724) 7.596 11.239 ( -4.894 5.131 -2.724) 7.596 11.700 ( 1.996 -8.959 2.572) 9.532 11.700 ( 1.996 8.959 2.572) 9.532 12.031 ( -5.165 -1.319 11.083) 12.298 12.031 ( -5.165 1.319 11.083) 12.299 12.410 ( -6.457 -1.686 1.571) 6.856 12.410 ( -6.457 1.686 1.571) 6.856 12.578 ( -0.835 -2.671 2.092) 3.494 12.578 ( -0.835 2.671 2.092) 3.494 12.850 ( 0.652 -1.493 -4.806) 5.074 12.850 ( 0.652 1.493 -4.806) 5.074 13.370 ( 3.922 -4.009 3.538) 6.631 13.370 ( 3.922 4.009 3.538) 6.631 13.803 ( 0.138 -7.589 -3.006) 8.164 13.803 ( 0.138 7.589 -3.006) 8.164 13.942 ( 0.021 -13.737 5.999) 14.989 13.942 ( 0.021 13.737 5.999) 14.989 14.774 ( 3.678 -16.367 -5.331) 17.602 14.774 ( 3.678 16.367 -5.331) 17.602 15.293 ( -1.651 -3.259 1.460) 3.935 15.293 ( -1.651 3.259 1.460) 3.935 16.109 ( 7.545 -13.896 -13.093) 20.529 16.109 ( 7.545 13.896 -13.093) 20.529 ======================= Grid point 135 (70/111) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -1.746 0.000 20.085) 20.161 1.410 ( 4.296 0.000 18.940) 19.421 1.746 ( -1.192 0.000 3.644) 3.834 1.758 ( -0.162 0.000 -8.123) 8.124 2.008 ( -2.686 0.000 16.340) 16.560 2.069 ( -2.411 0.000 3.081) 3.912 2.128 ( -0.472 0.000 -2.670) 2.711 2.236 ( 1.836 0.000 1.298) 2.249 2.306 ( -3.263 0.000 11.082) 11.552 2.368 ( 0.691 0.000 -4.813) 4.863 2.443 ( 2.109 0.000 2.202) 3.049 2.532 ( -2.140 0.000 1.255) 2.481 2.539 ( -1.470 0.000 -0.418) 1.528 2.643 ( -2.978 0.000 5.110) 5.915 2.728 ( 1.884 0.000 2.380) 3.035 2.849 ( 5.452 0.000 1.774) 5.733 2.889 ( -0.665 0.000 -2.868) 2.944 2.961 ( -0.458 0.000 4.235) 4.260 3.007 ( 3.540 0.000 -1.288) 3.767 3.027 ( -3.602 0.000 -0.252) 3.611 3.334 ( -4.829 0.000 6.943) 8.457 3.586 ( 5.765 0.000 5.447) 7.931 3.656 ( 3.991 0.000 -2.075) 4.498 3.693 ( -2.488 0.000 -3.914) 4.638 3.821 ( 5.990 0.000 4.739) 7.638 3.984 ( -13.088 0.000 -7.934) 15.305 4.023 ( 0.248 0.000 2.191) 2.205 4.172 ( 1.689 0.000 -2.453) 2.978 4.641 ( -7.878 0.000 13.998) 16.062 4.736 ( -10.934 0.000 20.177) 22.949 4.757 ( 11.113 0.000 -3.374) 11.614 4.958 ( -8.055 0.000 21.353) 22.822 5.100 ( -3.977 0.000 23.048) 23.388 5.342 ( 4.578 0.000 -4.235) 6.237 5.571 ( 6.518 0.000 -7.607) 10.018 5.634 ( -4.743 0.000 5.913) 7.580 5.693 ( 3.451 0.000 -6.855) 7.674 5.786 ( -0.845 0.000 2.560) 2.696 5.886 ( -1.006 0.000 0.019) 1.006 5.968 ( -2.389 0.000 -5.515) 6.010 6.070 ( -2.593 0.000 -1.323) 2.911 6.100 ( 7.284 0.000 -4.366) 8.492 6.582 ( 4.541 0.000 -0.699) 4.594 6.590 ( 0.277 0.000 -2.164) 2.182 6.665 ( -5.574 0.000 -5.099) 7.555 6.825 ( -5.492 0.000 -8.479) 10.102 6.926 ( -0.688 0.000 7.610) 7.641 7.117 ( -0.373 0.000 3.556) 3.575 7.266 ( 0.721 0.000 -1.964) 2.092 7.313 ( 4.948 0.000 2.595) 5.587 7.364 ( -5.149 0.000 -2.026) 5.534 7.402 ( -4.938 0.000 -5.880) 7.679 7.581 ( -0.451 0.000 -6.075) 6.092 7.666 ( -0.928 0.000 -7.475) 7.533 7.797 ( -1.086 0.000 -16.924) 16.958 7.813 ( 10.785 0.000 -7.842) 13.335 7.932 ( 0.885 0.000 -1.701) 1.918 8.014 ( 2.093 0.000 -6.109) 6.457 8.065 ( 5.192 0.000 -3.346) 6.177 8.141 ( 5.528 0.000 -2.479) 6.059 8.264 ( -1.056 0.000 -4.392) 4.517 8.277 ( -0.893 0.000 -2.217) 2.390 8.601 ( 0.821 0.000 3.463) 3.559 8.765 ( -5.380 0.000 -2.543) 5.950 8.774 ( 7.535 0.000 6.349) 9.853 8.777 ( -8.354 0.000 3.113) 8.916 9.308 ( -2.109 0.000 12.719) 12.892 9.315 ( -1.506 0.000 4.279) 4.536 9.404 ( -1.575 0.000 3.880) 4.187 9.518 ( 6.831 0.000 5.279) 8.633 9.525 ( 0.423 0.000 5.634) 5.650 9.627 ( -0.860 0.000 1.997) 2.174 9.780 ( -1.166 0.000 -3.701) 3.880 9.929 ( 1.104 0.000 -0.338) 1.155 10.000 ( -7.103 0.000 -1.461) 7.252 10.060 ( 3.778 0.000 11.905) 12.490 10.235 ( -1.433 0.000 9.553) 9.660 10.310 ( -6.040 0.000 4.762) 7.692 10.683 ( -8.642 0.000 3.091) 9.178 10.750 ( 3.907 0.000 -7.848) 8.766 10.887 ( 5.408 0.000 -8.951) 10.458 10.905 ( 5.283 0.000 7.858) 9.469 11.014 ( -1.043 0.000 -3.416) 3.572 11.166 ( 3.412 0.000 2.428) 4.188 11.168 ( 3.723 0.000 -4.480) 5.825 11.432 ( -0.911 0.000 -7.367) 7.423 11.723 ( 1.574 0.000 6.433) 6.623 11.810 ( -6.530 0.000 2.584) 7.022 12.094 ( -6.077 0.000 8.725) 10.633 12.369 ( -7.596 0.000 8.752) 11.589 12.495 ( 3.273 0.000 -9.239) 9.801 12.651 ( 2.733 0.000 6.432) 6.989 12.658 ( 1.320 0.000 -4.918) 5.092 12.787 ( 0.581 0.000 -0.610) 0.843 12.848 ( 0.182 0.000 0.827) 0.846 12.916 ( -0.936 0.000 -1.857) 2.080 13.267 ( 6.249 0.000 8.466) 10.522 13.350 ( -2.579 0.000 -2.236) 3.413 13.563 ( -0.704 0.000 0.711) 1.001 13.858 ( 2.593 0.000 5.339) 5.935 13.869 ( 1.024 0.000 -8.027) 8.092 14.071 ( 0.260 0.000 -4.670) 4.677 14.496 ( 0.344 0.000 8.974) 8.980 14.825 ( -4.396 0.000 -7.414) 8.619 15.338 ( 7.027 0.000 -0.794) 7.072 15.364 ( -1.693 0.000 -1.965) 2.593 15.580 ( 3.394 0.000 9.255) 9.858 16.041 ( -0.918 0.000 -13.980) 14.010 ======================= Grid point 136 (71/111) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 4.771 0.000 16.842) 17.504 1.633 ( 8.046 0.000 10.496) 13.226 1.749 ( 3.798 0.000 -3.108) 4.907 1.778 ( 3.100 0.000 2.556) 4.018 2.064 ( 0.365 0.000 2.218) 2.248 2.083 ( 1.302 0.000 14.580) 14.638 2.092 ( -1.591 0.000 -3.180) 3.556 2.200 ( -1.178 0.000 -6.732) 6.834 2.341 ( -2.364 0.000 -1.897) 3.031 2.363 ( -0.589 0.000 4.370) 4.410 2.466 ( 1.780 0.000 7.335) 7.548 2.493 ( -1.462 0.000 0.437) 1.526 2.598 ( 3.781 0.000 4.476) 5.859 2.631 ( -1.921 0.000 6.516) 6.794 2.751 ( -0.853 0.000 0.267) 0.894 2.833 ( -0.482 0.000 -6.878) 6.895 2.876 ( -5.622 0.000 3.286) 6.512 2.931 ( -0.077 0.000 -3.634) 3.635 2.974 ( -0.728 0.000 3.498) 3.573 3.083 ( -1.931 0.000 -1.053) 2.200 3.347 ( 3.909 0.000 8.519) 9.373 3.597 ( -6.837 0.000 -4.110) 7.977 3.657 ( -7.284 0.000 1.592) 7.456 3.679 ( 0.388 0.000 3.272) 3.295 3.799 ( 4.799 0.000 -8.811) 10.033 3.958 ( 4.884 0.000 5.770) 7.559 4.083 ( 4.272 0.000 3.987) 5.843 4.155 ( -1.571 0.000 -4.260) 4.541 4.469 ( -10.336 0.000 0.210) 10.338 4.719 ( -8.435 0.000 31.699) 32.802 4.911 ( 5.759 0.000 -2.714) 6.367 4.974 ( -4.616 0.000 23.470) 23.919 5.121 ( -6.109 0.000 17.985) 18.994 5.337 ( -1.680 0.000 -5.995) 6.226 5.576 ( -5.035 0.000 7.751) 9.243 5.643 ( 2.404 0.000 -7.315) 7.700 5.685 ( 2.762 0.000 -8.201) 8.654 5.784 ( -2.748 0.000 -0.465) 2.787 5.795 ( 0.638 0.000 0.973) 1.163 5.976 ( 2.357 0.000 -5.805) 6.265 6.094 ( 4.701 0.000 -0.461) 4.723 6.206 ( 4.185 0.000 0.072) 4.186 6.545 ( -3.455 0.000 -4.081) 5.347 6.597 ( 1.651 0.000 -1.803) 2.445 6.648 ( 0.097 0.000 -2.055) 2.057 6.738 ( 1.678 0.000 -1.165) 2.042 6.913 ( -4.138 0.000 5.121) 6.584 7.086 ( -5.810 0.000 6.236) 8.523 7.297 ( 2.688 0.000 -3.403) 4.336 7.312 ( 0.112 0.000 -6.936) 6.937 7.367 ( 4.544 0.000 2.235) 5.064 7.436 ( 2.715 0.000 1.429) 3.068 7.525 ( 1.059 0.000 -5.325) 5.429 7.583 ( -2.140 0.000 -6.976) 7.297 7.703 ( 0.420 0.000 -12.881) 12.887 7.841 ( -5.885 0.000 1.781) 6.149 7.951 ( -2.329 0.000 -11.412) 11.647 7.964 ( 6.106 0.000 -7.785) 9.894 8.140 ( 8.548 0.000 -3.288) 9.159 8.205 ( 3.983 0.000 -8.256) 9.166 8.333 ( 8.479 0.000 2.038) 8.720 8.379 ( 6.497 0.000 -4.046) 7.654 8.615 ( -9.187 0.000 1.329) 9.283 8.664 ( 4.951 0.000 5.780) 7.610 8.680 ( -2.147 0.000 -0.875) 2.318 8.996 ( 9.865 0.000 4.905) 11.017 9.288 ( -6.294 0.000 5.670) 8.471 9.298 ( -2.653 0.000 3.181) 4.143 9.416 ( -0.320 0.000 8.815) 8.821 9.559 ( -1.437 0.000 7.695) 7.828 9.663 ( 4.074 0.000 -0.003) 4.074 9.674 ( 5.699 0.000 -1.147) 5.813 9.740 ( -1.511 0.000 -1.600) 2.200 9.857 ( -9.385 0.000 10.186) 13.850 9.935 ( 4.585 0.000 -8.722) 9.854 10.152 ( -3.091 0.000 10.586) 11.028 10.193 ( -6.160 0.000 1.382) 6.313 10.238 ( -3.771 0.000 11.161) 11.781 10.535 ( -6.290 0.000 2.795) 6.883 10.678 ( -3.257 0.000 -10.196) 10.704 10.864 ( -9.081 0.000 0.618) 9.102 10.958 ( 4.095 0.000 -5.628) 6.960 11.094 ( 5.860 0.000 -0.080) 5.861 11.181 ( 0.654 0.000 -3.639) 3.698 11.280 ( 5.239 0.000 2.492) 5.801 11.342 ( -2.524 0.000 -8.572) 8.936 11.682 ( -7.772 0.000 3.498) 8.523 11.774 ( -1.391 0.000 7.170) 7.303 12.062 ( -2.463 0.000 9.896) 10.198 12.299 ( -5.411 0.000 10.354) 11.683 12.515 ( 4.360 0.000 -7.851) 8.981 12.672 ( 1.517 0.000 -2.426) 2.861 12.711 ( 0.229 0.000 3.825) 3.832 12.800 ( 2.337 0.000 -1.420) 2.734 12.868 ( 0.922 0.000 1.130) 1.458 12.894 ( -0.193 0.000 -1.323) 1.337 13.259 ( -4.202 0.000 -5.577) 6.982 13.407 ( 2.053 0.000 10.715) 10.910 13.560 ( 1.528 0.000 -2.923) 3.299 13.843 ( 1.033 0.000 -8.028) 8.094 13.911 ( -0.933 0.000 4.581) 4.675 14.035 ( -0.082 0.000 -6.916) 6.916 14.545 ( -0.770 0.000 9.861) 9.891 14.707 ( -3.930 0.000 -5.252) 6.559 15.319 ( -1.393 0.000 -2.871) 3.191 15.459 ( 6.519 0.000 -3.809) 7.550 15.688 ( 2.534 0.000 7.407) 7.829 15.916 ( -3.548 0.000 -13.090) 13.562 ======================= Grid point 137 (72/111) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 7.555 0.000 11.498) 13.758 1.744 ( 5.035 0.000 -5.762) 7.652 1.896 ( 7.526 0.000 2.249) 7.855 1.931 ( 9.702 0.000 9.665) 13.695 2.044 ( -1.746 0.000 -1.043) 2.034 2.106 ( 1.921 0.000 3.458) 3.956 2.161 ( 1.648 0.000 -6.128) 6.346 2.215 ( 4.289 0.000 8.937) 9.913 2.249 ( -5.102 0.000 -0.093) 5.103 2.332 ( -2.718 0.000 -0.178) 2.724 2.497 ( 0.426 0.000 2.232) 2.272 2.549 ( 1.483 0.000 3.105) 3.441 2.607 ( -4.283 0.000 3.775) 5.709 2.637 ( -4.559 0.000 3.145) 5.538 2.722 ( -0.444 0.000 0.537) 0.697 2.829 ( -1.617 0.000 4.013) 4.327 2.834 ( 2.735 0.000 -1.234) 3.001 2.861 ( -2.429 0.000 -5.742) 6.235 2.950 ( -5.003 0.000 0.257) 5.009 2.989 ( -4.464 0.000 -0.698) 4.518 3.402 ( -6.300 0.000 -2.928) 6.947 3.499 ( 3.875 0.000 9.188) 9.972 3.606 ( -1.359 0.000 1.984) 2.405 3.640 ( -3.911 0.000 -0.853) 4.003 3.879 ( 5.813 0.000 -6.201) 8.499 4.049 ( 0.665 0.000 4.073) 4.127 4.070 ( -3.971 0.000 -4.900) 6.307 4.200 ( 4.930 0.000 6.278) 7.982 4.348 ( -2.577 0.000 3.028) 3.976 4.731 ( -8.092 0.000 27.371) 28.542 4.947 ( -0.150 0.000 -1.357) 1.365 5.018 ( -6.218 0.000 26.545) 27.263 5.089 ( -4.713 0.000 9.587) 10.683 5.237 ( -4.089 0.000 -4.689) 6.222 5.541 ( -2.509 0.000 6.077) 6.575 5.575 ( -3.650 0.000 -5.982) 7.007 5.694 ( 2.392 0.000 -6.200) 6.645 5.818 ( 1.716 0.000 -1.535) 2.302 5.834 ( 5.057 0.000 -3.861) 6.362 5.991 ( 3.525 0.000 -6.299) 7.218 6.193 ( 5.490 0.000 -1.646) 5.731 6.251 ( -0.801 0.000 6.182) 6.233 6.486 ( -1.309 0.000 -2.467) 2.793 6.624 ( -0.082 0.000 0.989) 0.992 6.633 ( 2.229 0.000 0.634) 2.317 6.768 ( -0.150 0.000 -0.716) 0.732 6.859 ( -2.696 0.000 2.266) 3.522 7.032 ( -1.787 0.000 4.581) 4.917 7.240 ( -3.365 0.000 -9.983) 10.535 7.300 ( -1.724 0.000 -3.869) 4.236 7.449 ( 1.816 0.000 -0.156) 1.823 7.460 ( 3.361 0.000 1.321) 3.612 7.571 ( 2.406 0.000 4.844) 5.409 7.601 ( 1.723 0.000 0.217) 1.736 7.642 ( 1.787 0.000 -4.551) 4.889 7.744 ( -3.910 0.000 0.757) 3.982 7.916 ( 7.371 0.000 -15.587) 17.242 8.006 ( 3.993 0.000 -7.532) 8.525 8.245 ( 1.198 0.000 -3.995) 4.171 8.313 ( 5.744 0.000 2.935) 6.450 8.428 ( -3.518 0.000 -1.348) 3.768 8.440 ( 7.248 0.000 -7.068) 10.123 8.562 ( 7.746 0.000 1.329) 7.859 8.663 ( -0.277 0.000 3.850) 3.860 8.819 ( 7.152 0.000 1.302) 7.270 9.127 ( 1.341 0.000 -0.495) 1.430 9.171 ( -7.153 0.000 1.787) 7.373 9.210 ( -8.101 0.000 -0.319) 8.107 9.457 ( -1.727 0.000 8.193) 8.373 9.540 ( -4.219 0.000 8.005) 9.049 9.649 ( -5.629 0.000 2.755) 6.267 9.740 ( 1.212 0.000 -1.489) 1.920 9.775 ( 6.880 0.000 0.949) 6.946 9.814 ( 1.098 0.000 5.217) 5.331 9.989 ( -0.204 0.000 -3.312) 3.318 10.092 ( -5.859 0.000 6.055) 8.426 10.141 ( 6.941 0.000 -5.897) 9.108 10.255 ( -4.756 0.000 14.621) 15.375 10.469 ( -2.937 0.000 2.704) 3.992 10.546 ( -7.587 0.000 0.025) 7.587 10.699 ( -4.733 0.000 -5.920) 7.579 10.948 ( -0.433 0.000 -8.151) 8.163 11.095 ( -4.887 0.000 -4.707) 6.785 11.171 ( 0.168 0.000 -4.338) 4.341 11.271 ( -0.609 0.000 -5.475) 5.509 11.375 ( 3.017 0.000 2.635) 4.006 11.595 ( -2.623 0.000 2.884) 3.898 11.734 ( -6.455 0.000 7.342) 9.777 12.113 ( 1.669 0.000 8.463) 8.626 12.277 ( -3.554 0.000 12.010) 12.525 12.557 ( 3.083 0.000 -5.288) 6.121 12.697 ( 3.576 0.000 -2.912) 4.611 12.706 ( -2.340 0.000 3.217) 3.978 12.866 ( 3.364 0.000 1.362) 3.629 12.886 ( 1.781 0.000 -2.208) 2.837 12.893 ( 0.493 0.000 -0.948) 1.068 13.144 ( -3.305 0.000 -7.610) 8.296 13.435 ( -6.503 0.000 13.181) 14.698 13.600 ( 5.244 0.000 -7.504) 9.155 13.809 ( 0.083 0.000 -8.866) 8.866 13.872 ( -4.533 0.000 3.231) 5.567 14.009 ( 1.938 0.000 -7.496) 7.743 14.574 ( -2.470 0.000 10.282) 10.575 14.617 ( -2.714 0.000 -4.200) 5.000 15.287 ( -0.090 0.000 -2.697) 2.698 15.536 ( 4.258 0.000 -5.649) 7.074 15.752 ( 0.539 0.000 4.524) 4.556 15.784 ( -2.747 0.000 -10.426) 10.782 ======================= Grid point 138 (73/111) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 7.743 0.000 6.160) 9.894 1.806 ( 5.155 0.000 -6.578) 8.357 1.983 ( -6.340 0.000 1.243) 6.461 2.069 ( 8.543 0.000 1.387) 8.655 2.121 ( 3.770 0.000 -4.012) 5.505 2.169 ( 5.891 0.000 6.575) 8.828 2.186 ( 0.670 0.000 3.564) 3.626 2.214 ( 2.902 0.000 3.826) 4.802 2.273 ( -3.497 0.000 1.954) 4.006 2.325 ( -0.076 0.000 2.555) 2.557 2.489 ( -5.628 0.000 -0.586) 5.659 2.512 ( -0.173 0.000 3.109) 3.114 2.556 ( -0.582 0.000 1.433) 1.547 2.596 ( -2.056 0.000 3.006) 3.642 2.700 ( -1.562 0.000 1.707) 2.314 2.738 ( -7.308 0.000 -2.091) 7.601 2.810 ( -2.389 0.000 0.947) 2.570 2.838 ( -2.506 0.000 -6.318) 6.797 2.893 ( -0.318 0.000 5.419) 5.428 2.940 ( -1.547 0.000 -0.988) 1.836 3.369 ( 3.119 0.000 -0.040) 3.119 3.468 ( -7.421 0.000 1.223) 7.521 3.592 ( -1.757 0.000 1.641) 2.404 3.643 ( 1.467 0.000 3.465) 3.763 3.890 ( -3.757 0.000 0.345) 3.773 4.022 ( 4.796 0.000 -8.519) 9.776 4.077 ( 1.832 0.000 0.765) 1.985 4.332 ( -0.984 0.000 5.523) 5.610 4.338 ( 2.564 0.000 6.613) 7.093 4.724 ( -7.857 0.000 24.643) 25.865 4.901 ( -4.324 0.000 0.982) 4.434 5.019 ( -8.520 0.000 23.767) 25.248 5.064 ( -2.776 0.000 6.852) 7.393 5.181 ( 1.277 0.000 -4.100) 4.294 5.461 ( -3.771 0.000 -9.193) 9.936 5.558 ( 2.035 0.000 2.309) 3.078 5.670 ( -2.525 0.000 -2.345) 3.446 5.834 ( 0.342 0.000 0.009) 0.342 5.873 ( 1.164 0.000 -3.453) 3.644 6.037 ( 4.377 0.000 -7.342) 8.548 6.257 ( -3.802 0.000 10.271) 10.952 6.263 ( 2.464 0.000 0.382) 2.494 6.465 ( 0.767 0.000 -0.920) 1.198 6.643 ( 0.063 0.000 1.652) 1.653 6.676 ( 0.796 0.000 4.770) 4.836 6.809 ( 7.697 0.000 -2.439) 8.074 6.870 ( 4.394 0.000 -3.428) 5.573 7.013 ( -5.288 0.000 4.115) 6.700 7.155 ( 3.506 0.000 -10.295) 10.876 7.215 ( -4.744 0.000 -0.412) 4.762 7.417 ( -4.253 0.000 -2.924) 5.161 7.475 ( -3.630 0.000 1.577) 3.958 7.616 ( 3.953 0.000 -1.672) 4.292 7.664 ( 3.067 0.000 2.495) 3.954 7.747 ( 2.831 0.000 5.142) 5.870 7.769 ( 9.118 0.000 -1.087) 9.182 7.996 ( 7.132 0.000 -11.886) 13.861 8.040 ( 4.045 0.000 -7.587) 8.598 8.186 ( -4.246 0.000 2.810) 5.092 8.349 ( -0.067 0.000 2.332) 2.333 8.384 ( 0.436 0.000 -4.472) 4.493 8.611 ( 10.374 0.000 -4.379) 11.260 8.642 ( 0.133 0.000 3.169) 3.172 8.781 ( 5.510 0.000 10.089) 11.495 8.922 ( 3.645 0.000 -1.537) 3.956 9.006 ( -11.150 0.000 -0.588) 11.165 9.065 ( -3.378 0.000 -1.158) 3.571 9.074 ( -3.885 0.000 -5.234) 6.518 9.397 ( -7.841 0.000 7.361) 10.755 9.542 ( -0.633 0.000 5.856) 5.890 9.569 ( -5.102 0.000 6.082) 7.939 9.758 ( 0.228 0.000 3.645) 3.652 9.863 ( 1.879 0.000 -5.970) 6.259 9.905 ( 4.415 0.000 0.262) 4.422 9.997 ( 5.081 0.000 -2.233) 5.550 10.028 ( -3.663 0.000 7.198) 8.076 10.210 ( -5.094 0.000 7.257) 8.866 10.267 ( 5.867 0.000 -5.560) 8.083 10.406 ( -9.455 0.000 10.457) 14.098 10.456 ( 2.056 0.000 -1.829) 2.752 10.632 ( -0.169 0.000 -4.909) 4.912 10.886 ( -0.499 0.000 -8.899) 8.913 10.897 ( -11.213 0.000 -5.112) 12.323 11.133 ( -1.455 0.000 -2.722) 3.086 11.218 ( -3.154 0.000 -5.158) 6.046 11.414 ( 0.714 0.000 -1.273) 1.460 11.606 ( 1.914 0.000 1.359) 2.348 11.656 ( -4.396 0.000 6.049) 7.477 12.180 ( -0.136 0.000 6.092) 6.093 12.313 ( 0.245 0.000 13.524) 13.526 12.569 ( 0.737 0.000 -1.819) 1.963 12.672 ( -3.281 0.000 4.317) 5.422 12.768 ( 4.673 0.000 -4.838) 6.726 12.864 ( -0.321 0.000 -4.116) 4.128 12.898 ( 0.634 0.000 -0.804) 1.024 12.946 ( 3.174 0.000 -5.522) 6.369 13.092 ( 1.989 0.000 -0.426) 2.034 13.319 ( -11.870 0.000 10.609) 15.920 13.644 ( 3.681 0.000 -8.282) 9.063 13.741 ( -1.278 0.000 -10.772) 10.848 13.822 ( -2.387 0.000 4.347) 4.960 14.025 ( 3.636 0.000 -6.431) 7.388 14.557 ( -5.189 0.000 9.290) 10.641 14.562 ( -0.582 0.000 -3.373) 3.423 15.287 ( 1.294 0.000 -1.435) 1.932 15.557 ( 1.519 0.000 -6.329) 6.508 15.709 ( 0.314 0.000 -7.143) 7.150 15.762 ( -1.000 0.000 1.142) 1.518 ======================= Grid point 139 (74/111) ======================= q-point: (-0.56 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -6.078 0.000 1.623) 6.291 1.858 ( 3.965 0.000 4.786) 6.215 1.868 ( 4.899 0.000 -4.935) 6.954 2.119 ( -2.155 0.000 -2.450) 3.263 2.157 ( -6.617 0.000 -0.363) 6.627 2.158 ( -3.882 0.000 0.854) 3.975 2.257 ( 1.649 0.000 2.148) 2.708 2.277 ( 1.688 0.000 0.715) 1.833 2.298 ( 1.809 0.000 6.239) 6.496 2.309 ( 1.897 0.000 8.141) 8.360 2.428 ( -1.877 0.000 2.109) 2.824 2.513 ( -4.800 0.000 0.471) 4.823 2.562 ( 1.739 0.000 3.134) 3.584 2.618 ( 1.936 0.000 2.347) 3.042 2.650 ( -4.048 0.000 3.327) 5.240 2.681 ( 3.781 0.000 -1.445) 4.048 2.745 ( -4.361 0.000 -3.543) 5.618 2.794 ( 1.271 0.000 -0.979) 1.604 2.882 ( -2.774 0.000 -2.294) 3.600 2.918 ( 1.143 0.000 1.850) 2.175 3.354 ( -4.873 0.000 2.669) 5.556 3.446 ( 1.329 0.000 1.649) 2.118 3.573 ( 1.275 0.000 0.743) 1.476 3.671 ( 0.904 0.000 0.409) 0.992 3.817 ( -3.308 0.000 1.063) 3.475 4.035 ( -7.256 0.000 -7.677) 10.564 4.118 ( 7.952 0.000 -2.300) 8.278 4.285 ( -4.787 0.000 7.546) 8.936 4.475 ( 5.698 0.000 8.333) 10.095 4.707 ( -8.658 0.000 25.039) 26.493 4.813 ( -4.627 0.000 -0.181) 4.631 5.001 ( -5.456 0.000 19.252) 20.010 5.049 ( -4.177 0.000 11.810) 12.527 5.203 ( 1.318 0.000 -4.080) 4.287 5.348 ( -0.887 0.000 -10.969) 11.005 5.591 ( -4.020 0.000 -0.625) 4.068 5.634 ( 4.686 0.000 -0.016) 4.686 5.840 ( 0.234 0.000 1.842) 1.856 5.844 ( -2.612 0.000 -1.020) 2.804 6.033 ( -0.369 0.000 -7.701) 7.710 6.202 ( -7.954 0.000 9.711) 12.553 6.329 ( 3.196 0.000 4.134) 5.226 6.516 ( 3.704 0.000 2.473) 4.454 6.644 ( 0.522 0.000 -2.212) 2.273 6.731 ( 2.262 0.000 3.751) 4.381 6.913 ( -5.013 0.000 2.483) 5.594 6.967 ( 8.009 0.000 -7.727) 11.129 6.998 ( 11.655 0.000 -4.225) 12.397 7.130 ( -4.452 0.000 1.339) 4.649 7.244 ( 8.673 0.000 -5.164) 10.094 7.322 ( -1.170 0.000 -7.975) 8.061 7.364 ( -6.759 0.000 0.114) 6.760 7.680 ( 3.199 0.000 -2.274) 3.925 7.702 ( 0.790 0.000 -1.112) 1.365 7.826 ( 1.002 0.000 3.378) 3.524 7.938 ( 8.985 0.000 -4.701) 10.141 8.011 ( -0.111 0.000 -3.774) 3.776 8.087 ( 4.922 0.000 -5.485) 7.369 8.194 ( 1.867 0.000 8.020) 8.235 8.366 ( 0.263 0.000 -2.239) 2.254 8.384 ( 3.775 0.000 -4.906) 6.190 8.653 ( -2.251 0.000 6.633) 7.004 8.736 ( 2.035 0.000 -2.680) 3.365 8.798 ( -5.729 0.000 -1.391) 5.895 8.882 ( -0.757 0.000 7.166) 7.206 8.923 ( -2.229 0.000 -3.928) 4.517 9.031 ( 1.740 0.000 1.960) 2.621 9.075 ( 4.877 0.000 2.697) 5.573 9.282 ( -7.577 0.000 5.253) 9.220 9.510 ( -4.406 0.000 2.200) 4.924 9.563 ( -0.269 0.000 4.914) 4.921 9.772 ( -0.536 0.000 1.903) 1.977 9.866 ( -6.032 0.000 1.343) 6.179 9.873 ( 2.635 0.000 -3.793) 4.619 10.051 ( -1.032 0.000 -3.477) 3.627 10.083 ( 2.035 0.000 9.094) 9.319 10.183 ( -1.105 0.000 -0.310) 1.147 10.306 ( -8.164 0.000 12.806) 15.187 10.308 ( 4.212 0.000 -2.255) 4.777 10.520 ( 6.049 0.000 -7.609) 9.720 10.584 ( -8.194 0.000 6.155) 10.248 10.696 ( -0.945 0.000 -8.289) 8.343 10.832 ( 0.220 0.000 -8.906) 8.908 11.042 ( -7.070 0.000 -6.161) 9.378 11.142 ( -1.213 0.000 2.589) 2.859 11.396 ( -0.950 0.000 -3.490) 3.617 11.650 ( 0.655 0.000 2.442) 2.528 11.663 ( 3.403 0.000 -0.209) 3.409 12.178 ( -3.213 0.000 7.088) 7.782 12.426 ( 3.295 0.000 11.892) 12.340 12.579 ( 1.499 0.000 -1.317) 1.995 12.628 ( -4.357 0.000 5.179) 6.768 12.746 ( -1.977 0.000 -8.885) 9.102 12.873 ( 3.280 0.000 -5.681) 6.560 12.910 ( 1.037 0.000 -0.500) 1.151 12.941 ( 0.262 0.000 -3.764) 3.773 13.146 ( -11.587 0.000 10.603) 15.707 13.198 ( 6.130 0.000 3.926) 7.280 13.648 ( -1.046 0.000 -12.480) 12.523 13.648 ( 2.252 0.000 -9.578) 9.840 13.823 ( -0.745 0.000 5.347) 5.399 14.058 ( 3.093 0.000 -6.005) 6.754 14.485 ( -7.048 0.000 7.625) 10.383 14.569 ( 3.097 0.000 -1.880) 3.623 15.316 ( 1.896 0.000 0.271) 1.915 15.523 ( -1.367 0.000 -6.193) 6.342 15.717 ( 3.936 0.000 -4.716) 6.143 15.732 ( -1.839 0.000 -1.984) 2.705 ======================= Grid point 140 (75/111) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -11.625 0.000 4.738) 12.553 1.932 ( 0.431 0.000 -2.650) 2.685 1.948 ( -8.817 0.000 2.194) 9.086 1.962 ( -5.791 0.000 6.261) 8.529 2.065 ( 2.726 0.000 0.918) 2.877 2.100 ( -1.707 0.000 1.143) 2.054 2.277 ( -2.521 0.000 -0.180) 2.528 2.281 ( -0.881 0.000 1.599) 1.826 2.374 ( -0.374 0.000 2.385) 2.414 2.375 ( 0.503 0.000 6.367) 6.386 2.414 ( -0.546 0.000 4.765) 4.797 2.424 ( -3.658 0.000 2.658) 4.521 2.548 ( -0.891 0.000 0.859) 1.238 2.595 ( -2.700 0.000 4.455) 5.209 2.694 ( -1.432 0.000 -0.132) 1.438 2.713 ( 3.811 0.000 -0.993) 3.938 2.774 ( 5.432 0.000 -1.197) 5.563 2.811 ( 1.611 0.000 -2.625) 3.080 2.880 ( 3.055 0.000 2.255) 3.797 2.930 ( 0.776 0.000 -3.952) 4.028 3.328 ( 0.192 0.000 5.631) 5.635 3.429 ( -0.948 0.000 -0.673) 1.163 3.665 ( -5.584 0.000 -3.483) 6.581 3.666 ( 5.289 0.000 3.089) 6.125 3.789 ( 0.052 0.000 2.036) 2.037 3.794 ( -7.633 0.000 -1.720) 7.824 4.186 ( -8.810 0.000 1.073) 8.875 4.281 ( 8.062 0.000 2.636) 8.482 4.638 ( 4.575 0.000 9.655) 10.684 4.688 ( -7.886 0.000 26.675) 27.817 4.729 ( -3.279 0.000 -3.250) 4.617 4.998 ( -10.465 0.000 31.096) 32.810 5.072 ( 2.267 0.000 3.278) 3.986 5.143 ( -3.339 0.000 -4.787) 5.836 5.308 ( 1.254 0.000 -10.191) 10.268 5.543 ( -0.169 0.000 -2.121) 2.128 5.719 ( 3.798 0.000 0.144) 3.800 5.789 ( -2.506 0.000 2.625) 3.629 5.867 ( 1.340 0.000 0.634) 1.482 5.973 ( -0.033 0.000 -9.127) 9.127 6.085 ( -8.903 0.000 8.554) 12.346 6.397 ( 0.198 0.000 6.866) 6.869 6.607 ( 3.501 0.000 2.693) 4.417 6.640 ( 0.380 0.000 -5.042) 5.057 6.787 ( 2.352 0.000 0.058) 2.353 6.875 ( 0.275 0.000 2.692) 2.706 7.005 ( -1.750 0.000 -7.978) 8.168 7.100 ( 2.952 0.000 1.223) 3.195 7.146 ( 4.065 0.000 -1.345) 4.282 7.256 ( 2.049 0.000 -9.630) 9.846 7.285 ( -0.982 0.000 -0.302) 1.027 7.451 ( 14.860 0.000 -10.874) 18.414 7.686 ( -1.557 0.000 -2.071) 2.591 7.700 ( 0.426 0.000 -3.148) 3.177 7.831 ( -0.380 0.000 -1.078) 1.143 7.931 ( -3.364 0.000 -2.541) 4.216 8.085 ( 6.571 0.000 -5.308) 8.447 8.125 ( 0.304 0.000 -3.963) 3.975 8.257 ( 0.961 0.000 3.669) 3.793 8.393 ( 0.513 0.000 -8.021) 8.037 8.475 ( 10.945 0.000 5.021) 12.042 8.584 ( -6.089 0.000 -7.804) 9.899 8.619 ( -5.304 0.000 7.022) 8.799 8.831 ( -1.803 0.000 -1.291) 2.217 8.892 ( 1.010 0.000 1.027) 1.440 8.906 ( 3.650 0.000 1.856) 4.095 9.125 ( 5.511 0.000 8.081) 9.781 9.135 ( -6.320 0.000 1.159) 6.426 9.255 ( 4.968 0.000 9.150) 10.412 9.395 ( -6.993 0.000 -5.035) 8.617 9.554 ( -5.089 0.000 5.487) 7.484 9.769 ( -1.223 0.000 2.334) 2.635 9.814 ( 0.143 0.000 6.500) 6.502 9.905 ( 1.953 0.000 -1.762) 2.630 9.915 ( -9.194 0.000 -0.543) 9.210 10.054 ( -8.997 0.000 4.285) 9.965 10.190 ( -1.699 0.000 5.901) 6.141 10.253 ( -1.308 0.000 8.267) 8.370 10.433 ( -6.128 0.000 -0.145) 6.129 10.442 ( 8.333 0.000 2.266) 8.636 10.555 ( 2.076 0.000 -11.711) 11.893 10.783 ( 7.837 0.000 4.504) 9.039 10.811 ( 2.830 0.000 -8.928) 9.366 10.884 ( -2.735 0.000 -7.134) 7.641 11.167 ( 0.394 0.000 6.943) 6.954 11.343 ( -2.152 0.000 -4.596) 5.075 11.680 ( 1.439 0.000 -0.803) 1.648 11.726 ( 3.539 0.000 -1.241) 3.750 12.163 ( -2.785 0.000 10.289) 10.659 12.522 ( -3.974 0.000 10.349) 11.086 12.589 ( 1.079 0.000 4.343) 4.475 12.612 ( 3.255 0.000 -3.964) 5.129 12.647 ( -2.700 0.000 -8.263) 8.693 12.881 ( -0.066 0.000 -1.925) 1.926 12.924 ( 0.246 0.000 -4.755) 4.761 12.930 ( 1.179 0.000 -0.576) 1.313 13.016 ( -8.734 0.000 12.017) 14.855 13.316 ( 2.327 0.000 4.907) 5.431 13.593 ( 3.992 0.000 -12.485) 13.107 13.628 ( 1.562 0.000 -9.895) 10.017 13.839 ( -1.066 0.000 5.108) 5.218 14.070 ( 1.944 0.000 -6.252) 6.548 14.393 ( -6.316 0.000 6.697) 9.205 14.657 ( 6.608 0.000 -0.586) 6.634 15.356 ( 1.635 0.000 1.502) 2.220 15.440 ( -3.527 0.000 -5.632) 6.645 15.671 ( -2.834 0.000 -3.680) 4.644 15.799 ( 7.079 0.000 -4.282) 8.273 ======================= Grid point 141 (76/111) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -13.161 0.000 8.976) 15.931 1.699 ( -14.756 0.000 3.985) 15.285 1.837 ( -7.568 0.000 7.035) 10.333 1.979 ( -0.502 0.000 3.973) 4.005 2.102 ( 1.443 0.000 -0.477) 1.520 2.123 ( -3.632 0.000 7.922) 8.715 2.206 ( -3.323 0.000 -0.692) 3.394 2.270 ( -0.479 0.000 -0.350) 0.593 2.287 ( -4.819 0.000 0.321) 4.830 2.379 ( 0.709 0.000 1.588) 1.739 2.442 ( 1.060 0.000 6.872) 6.953 2.494 ( 2.097 0.000 5.666) 6.041 2.565 ( -2.012 0.000 1.538) 2.532 2.604 ( -5.949 0.000 -0.146) 5.951 2.624 ( 5.099 0.000 4.325) 6.686 2.766 ( 1.299 0.000 -0.655) 1.455 2.803 ( -0.585 0.000 -4.754) 4.790 2.837 ( 1.325 0.000 -0.106) 1.329 2.959 ( 5.354 0.000 -4.847) 7.222 2.968 ( 3.720 0.000 2.237) 4.341 3.400 ( -4.385 0.000 1.353) 4.589 3.438 ( -2.806 0.000 5.427) 6.110 3.440 ( 1.985 0.000 1.839) 2.706 3.764 ( 3.934 0.000 -0.083) 3.935 3.775 ( -1.842 0.000 1.109) 2.150 3.862 ( 4.963 0.000 4.531) 6.720 4.004 ( -6.981 0.000 -2.077) 7.284 4.416 ( 4.105 0.000 1.498) 4.370 4.641 ( -3.608 0.000 -5.976) 6.981 4.668 ( -9.408 0.000 30.772) 32.178 4.775 ( 2.838 0.000 6.519) 7.110 4.970 ( -11.147 0.000 33.301) 35.117 5.074 ( -0.298 0.000 -4.894) 4.903 5.136 ( 1.321 0.000 4.486) 4.677 5.287 ( 2.708 0.000 -6.133) 6.704 5.532 ( 0.586 0.000 -3.469) 3.518 5.760 ( -0.741 0.000 2.406) 2.518 5.802 ( 2.264 0.000 1.150) 2.539 5.893 ( 2.889 0.000 -3.535) 4.566 5.949 ( 3.275 0.000 -9.746) 10.281 5.976 ( -7.452 0.000 7.014) 10.234 6.425 ( -0.709 0.000 5.681) 5.725 6.581 ( -3.664 0.000 -3.616) 5.148 6.654 ( -0.127 0.000 1.839) 1.843 6.833 ( 3.312 0.000 -3.781) 5.027 6.913 ( -2.161 0.000 -5.432) 5.846 6.943 ( 4.908 0.000 -0.235) 4.913 7.152 ( -1.721 0.000 1.794) 2.486 7.200 ( 6.276 0.000 1.755) 6.517 7.262 ( 3.205 0.000 -11.177) 11.627 7.304 ( 3.125 0.000 0.041) 3.125 7.617 ( 4.650 0.000 -12.880) 13.693 7.619 ( -3.824 0.000 -3.074) 4.906 7.698 ( 5.600 0.000 -5.015) 7.517 7.802 ( -1.576 0.000 -3.897) 4.204 7.847 ( -5.138 0.000 1.877) 5.471 8.060 ( -3.063 0.000 -4.843) 5.730 8.138 ( 3.699 0.000 -10.343) 10.985 8.316 ( -4.261 0.000 -5.234) 6.749 8.325 ( 3.457 0.000 1.576) 3.799 8.459 ( -1.956 0.000 -8.842) 9.055 8.503 ( -9.103 0.000 5.143) 10.456 8.738 ( 8.642 0.000 5.116) 10.043 8.749 ( -6.041 0.000 -1.546) 6.236 8.961 ( 1.446 0.000 -0.758) 1.633 8.967 ( 1.392 0.000 1.347) 1.937 9.005 ( 0.400 0.000 -1.230) 1.293 9.166 ( -7.934 0.000 -6.052) 9.978 9.372 ( 9.390 0.000 9.462) 13.331 9.388 ( 0.923 0.000 10.026) 10.068 9.483 ( -4.390 0.000 9.944) 10.870 9.694 ( -8.190 0.000 4.491) 9.341 9.821 ( -0.311 0.000 3.034) 3.050 9.826 ( -5.439 0.000 4.766) 7.231 9.941 ( 1.958 0.000 1.128) 2.259 9.959 ( -5.705 0.000 9.914) 11.438 10.160 ( -0.855 0.000 10.196) 10.231 10.289 ( 4.123 0.000 -10.816) 11.575 10.431 ( 2.431 0.000 11.500) 11.754 10.453 ( -5.725 0.000 -4.946) 7.565 10.608 ( 7.004 0.000 -4.275) 8.206 10.796 ( 4.310 0.000 -6.852) 8.095 10.933 ( 7.847 0.000 -7.515) 10.865 10.975 ( 7.817 0.000 6.007) 9.859 11.231 ( 2.130 0.000 7.252) 7.558 11.264 ( -3.220 0.000 -5.153) 6.076 11.683 ( -0.001 0.000 -2.945) 2.945 11.788 ( 3.712 0.000 -0.770) 3.791 12.215 ( 1.335 0.000 14.375) 14.437 12.433 ( -8.223 0.000 7.534) 11.153 12.546 ( -1.836 0.000 -9.466) 9.643 12.657 ( 0.803 0.000 2.878) 2.988 12.665 ( 3.415 0.000 -2.485) 4.224 12.860 ( -1.051 0.000 -1.715) 2.012 12.889 ( -1.101 0.000 -4.157) 4.300 12.937 ( -1.859 0.000 4.345) 4.726 12.956 ( -2.986 0.000 8.418) 8.932 13.335 ( -1.274 0.000 3.223) 3.466 13.600 ( 0.913 0.000 -8.014) 8.066 13.671 ( 8.775 0.000 -7.479) 11.530 13.831 ( -2.494 0.000 4.085) 4.786 14.068 ( 1.760 0.000 -6.638) 6.868 14.341 ( -2.814 0.000 7.125) 7.660 14.797 ( 8.017 0.000 -1.104) 8.092 15.334 ( -4.431 0.000 -4.321) 6.189 15.391 ( 0.943 0.000 1.638) 1.890 15.584 ( -4.183 0.000 -2.904) 5.093 15.924 ( 8.668 0.000 -6.049) 10.570 ======================= Grid point 142 (77/111) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -13.164 0.000 14.350) 19.474 1.449 ( -14.763 0.000 11.039) 18.434 1.775 ( -3.737 0.000 7.794) 8.644 1.933 ( -4.402 0.000 -2.083) 4.870 2.057 ( -7.914 0.000 13.310) 15.485 2.146 ( -1.683 0.000 6.771) 6.978 2.169 ( 3.441 0.000 -2.488) 4.247 2.229 ( -2.720 0.000 -2.919) 3.990 2.238 ( -2.584 0.000 2.369) 3.506 2.390 ( -0.298 0.000 -0.330) 0.445 2.493 ( -5.066 0.000 7.074) 8.701 2.524 ( -2.893 0.000 4.806) 5.610 2.527 ( 1.519 0.000 2.454) 2.886 2.565 ( 3.787 0.000 2.600) 4.593 2.748 ( 4.185 0.000 4.450) 6.109 2.768 ( 0.329 0.000 -5.910) 5.920 2.781 ( -2.851 0.000 5.760) 6.427 2.836 ( 2.480 0.000 -4.643) 5.263 3.018 ( 1.154 0.000 0.057) 1.155 3.041 ( 4.713 0.000 -3.099) 5.641 3.304 ( -0.099 0.000 1.640) 1.643 3.516 ( 3.357 0.000 3.988) 5.213 3.549 ( 3.102 0.000 5.902) 6.668 3.640 ( -9.236 0.000 2.860) 9.669 3.804 ( 1.376 0.000 -4.871) 5.062 3.981 ( 2.523 0.000 -0.439) 2.561 3.998 ( 5.863 0.000 4.842) 7.604 4.443 ( -2.846 0.000 -0.400) 2.874 4.530 ( -0.889 0.000 -10.065) 10.104 4.664 ( -9.785 0.000 32.246) 33.698 4.827 ( -1.530 0.000 7.628) 7.780 4.968 ( -7.598 0.000 30.642) 31.570 5.096 ( 5.379 0.000 -3.734) 6.548 5.147 ( -4.360 0.000 8.102) 9.201 5.367 ( 7.673 0.000 -2.435) 8.050 5.538 ( 2.324 0.000 -3.402) 4.120 5.732 ( -3.344 0.000 3.236) 4.654 5.856 ( 3.360 0.000 -3.291) 4.703 5.872 ( -5.929 0.000 3.492) 6.881 5.943 ( 4.600 0.000 -5.730) 7.348 5.978 ( 4.843 0.000 -9.190) 10.388 6.400 ( -7.323 0.000 4.933) 8.829 6.506 ( 0.143 0.000 -3.474) 3.477 6.638 ( -1.551 0.000 -0.215) 1.566 6.812 ( -2.131 0.000 -1.923) 2.871 6.906 ( 1.276 0.000 -1.988) 2.362 7.016 ( 3.451 0.000 -5.589) 6.568 7.135 ( 0.356 0.000 -3.655) 3.673 7.236 ( -1.233 0.000 -2.874) 3.127 7.348 ( 8.987 0.000 -3.404) 9.610 7.412 ( 5.223 0.000 1.603) 5.463 7.531 ( -1.331 0.000 -0.377) 1.383 7.574 ( -1.701 0.000 -1.462) 2.243 7.719 ( -4.291 0.000 -4.571) 6.270 7.746 ( 1.762 0.000 -13.843) 13.954 7.759 ( -4.203 0.000 2.501) 4.891 7.968 ( -3.375 0.000 -8.464) 9.112 8.121 ( 1.682 0.000 -12.968) 13.077 8.194 ( -5.687 0.000 -4.091) 7.006 8.310 ( -7.244 0.000 -0.634) 7.272 8.380 ( -2.754 0.000 -0.322) 2.773 8.420 ( 2.566 0.000 -4.907) 5.537 8.585 ( -9.015 0.000 -2.428) 9.336 8.840 ( 0.540 0.000 6.511) 6.534 8.878 ( -8.214 0.000 -4.603) 9.415 8.891 ( -0.519 0.000 -2.831) 2.878 9.126 ( 4.199 0.000 4.667) 6.278 9.202 ( 9.173 0.000 3.406) 9.785 9.400 ( -2.751 0.000 9.643) 10.027 9.490 ( -3.872 0.000 9.590) 10.342 9.517 ( -3.323 0.000 3.527) 4.846 9.676 ( 5.354 0.000 11.639) 12.811 9.757 ( -5.319 0.000 6.381) 8.307 9.846 ( 1.591 0.000 -3.381) 3.737 9.862 ( -4.738 0.000 5.843) 7.523 10.007 ( 2.630 0.000 8.498) 8.896 10.305 ( 6.095 0.000 10.320) 11.986 10.309 ( -6.089 0.000 -4.239) 7.420 10.343 ( 7.248 0.000 -5.422) 9.051 10.580 ( 7.114 0.000 6.648) 9.737 10.663 ( 2.371 0.000 -1.638) 2.882 10.917 ( 9.768 0.000 -6.852) 11.932 11.010 ( 3.677 0.000 -6.824) 7.752 11.099 ( 1.486 0.000 0.915) 1.745 11.176 ( -2.413 0.000 -2.325) 3.351 11.328 ( 4.231 0.000 4.660) 6.294 11.664 ( 0.111 0.000 -2.109) 2.112 11.856 ( 2.943 0.000 0.899) 3.078 12.311 ( -8.502 0.000 6.379) 10.629 12.366 ( 4.773 0.000 15.122) 15.858 12.480 ( 0.455 0.000 -7.984) 7.997 12.617 ( -6.174 0.000 2.846) 6.798 12.707 ( 2.824 0.000 -5.060) 5.795 12.811 ( -1.992 0.000 -4.457) 4.882 12.858 ( -0.924 0.000 0.516) 1.058 12.952 ( 0.666 0.000 -1.627) 1.758 12.970 ( 0.227 0.000 12.380) 12.382 13.345 ( 0.416 0.000 3.558) 3.582 13.577 ( 0.356 0.000 -3.949) 3.965 13.800 ( 7.686 0.000 -4.959) 9.147 13.801 ( -2.438 0.000 3.386) 4.172 14.064 ( 1.860 0.000 -6.720) 6.973 14.364 ( 0.400 0.000 7.973) 7.983 14.925 ( 6.249 0.000 -4.922) 7.955 15.239 ( -3.144 0.000 -1.370) 3.430 15.407 ( 0.011 0.000 0.783) 0.783 15.495 ( -4.066 0.000 1.744) 4.425 16.041 ( 7.607 0.000 -9.325) 12.034 ======================= Grid point 143 (78/111) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -9.239 0.000 19.060) 21.181 1.316 ( -6.816 0.000 18.997) 20.182 1.760 ( -2.574 0.000 6.241) 6.751 1.832 ( -2.839 0.000 -7.045) 7.596 2.001 ( -5.972 0.000 15.259) 16.386 2.116 ( -4.930 0.000 7.510) 8.984 2.161 ( -1.882 0.000 -2.931) 3.483 2.191 ( -0.870 0.000 3.052) 3.174 2.283 ( 4.141 0.000 4.045) 5.789 2.380 ( 0.629 0.000 -3.977) 4.026 2.419 ( -4.306 0.000 4.221) 6.030 2.546 ( -0.102 0.000 1.458) 1.461 2.565 ( 1.020 0.000 6.032) 6.118 2.659 ( 0.735 0.000 4.117) 4.182 2.710 ( -1.910 0.000 -3.887) 4.331 2.752 ( 0.073 0.000 5.224) 5.224 2.843 ( 4.961 0.000 1.336) 5.138 2.884 ( 3.006 0.000 -2.895) 4.173 3.037 ( -0.315 0.000 0.668) 0.738 3.076 ( -0.168 0.000 -1.436) 1.446 3.362 ( 0.060 0.000 7.987) 7.987 3.485 ( -1.439 0.000 0.801) 1.647 3.588 ( 2.346 0.000 2.924) 3.749 3.690 ( 4.527 0.000 6.297) 7.755 3.769 ( -0.757 0.000 -8.708) 8.741 4.015 ( 0.525 0.000 0.833) 0.985 4.114 ( 3.929 0.000 1.571) 4.232 4.267 ( -11.212 0.000 -5.324) 12.412 4.580 ( 9.038 0.000 -6.253) 10.990 4.659 ( -9.062 0.000 29.619) 30.974 4.815 ( -4.986 0.000 10.283) 11.428 5.020 ( -6.461 0.000 29.994) 30.682 5.064 ( -8.122 0.000 10.275) 13.097 5.222 ( 8.547 0.000 -2.285) 8.848 5.498 ( 6.563 0.000 -5.420) 8.512 5.600 ( 6.462 0.000 -2.317) 6.865 5.683 ( -3.517 0.000 3.701) 5.105 5.805 ( -2.906 0.000 2.684) 3.956 5.881 ( 1.827 0.000 -4.965) 5.290 6.005 ( 5.872 0.000 -6.704) 8.912 6.009 ( 3.126 0.000 -8.528) 9.083 6.227 ( -11.500 0.000 2.632) 11.798 6.524 ( 2.413 0.000 -1.697) 2.950 6.607 ( -0.854 0.000 -1.729) 1.928 6.768 ( -2.401 0.000 -1.793) 2.997 6.899 ( -1.304 0.000 3.739) 3.960 6.979 ( -2.357 0.000 -13.310) 13.517 7.107 ( -0.393 0.000 -1.579) 1.627 7.235 ( 1.227 0.000 3.734) 3.931 7.329 ( -4.863 0.000 -2.946) 5.685 7.517 ( -6.431 0.000 -0.484) 6.449 7.528 ( -4.177 0.000 -0.901) 4.273 7.570 ( 11.666 0.000 -8.292) 14.313 7.639 ( -2.742 0.000 -8.988) 9.397 7.732 ( 7.279 0.000 2.945) 7.852 7.787 ( 6.271 0.000 -1.162) 6.377 7.848 ( -0.380 0.000 -8.866) 8.874 8.043 ( -4.909 0.000 -8.430) 9.755 8.072 ( 0.263 0.000 -11.087) 11.090 8.183 ( -3.343 0.000 -8.072) 8.737 8.315 ( -3.133 0.000 -0.160) 3.137 8.405 ( -7.431 0.000 -3.379) 8.163 8.507 ( 5.992 0.000 1.776) 6.250 8.734 ( -4.531 0.000 0.623) 4.574 8.860 ( -1.821 0.000 -2.978) 3.491 8.869 ( -3.216 0.000 6.293) 7.067 9.257 ( 5.139 0.000 5.282) 7.370 9.293 ( -3.026 0.000 10.734) 11.152 9.407 ( -1.012 0.000 2.528) 2.724 9.451 ( -3.679 0.000 5.654) 6.745 9.478 ( -0.219 0.000 8.254) 8.257 9.671 ( -5.188 0.000 3.790) 6.425 9.823 ( -0.877 0.000 -1.474) 1.715 9.852 ( 5.529 0.000 2.879) 6.233 9.919 ( 4.048 0.000 8.700) 9.596 10.101 ( 0.092 0.000 2.011) 2.013 10.197 ( -3.253 0.000 5.060) 6.015 10.366 ( -0.528 0.000 0.056) 0.531 10.565 ( 10.884 0.000 9.354) 14.351 10.710 ( 1.179 0.000 5.222) 5.353 10.762 ( 9.735 0.000 -2.073) 9.954 10.940 ( -0.976 0.000 -14.316) 14.350 11.049 ( -2.765 0.000 -1.734) 3.264 11.084 ( 7.137 0.000 -3.470) 7.936 11.158 ( -1.381 0.000 1.134) 1.787 11.424 ( 3.957 0.000 -0.940) 4.067 11.673 ( 0.890 0.000 2.001) 2.191 11.880 ( -1.821 0.000 1.944) 2.664 12.188 ( -8.049 0.000 6.802) 10.538 12.476 ( 3.769 0.000 -8.967) 9.727 12.482 ( -8.044 0.000 8.890) 11.989 12.541 ( 3.522 0.000 8.001) 8.741 12.693 ( -0.276 0.000 -8.110) 8.115 12.775 ( 0.194 0.000 -0.063) 0.204 12.850 ( -0.531 0.000 0.775) 0.939 12.942 ( -0.549 0.000 -1.628) 1.718 13.095 ( 5.679 0.000 9.608) 11.161 13.373 ( 0.280 0.000 1.380) 1.408 13.569 ( -0.160 0.000 -0.135) 0.209 13.797 ( 0.306 0.000 4.019) 4.031 13.878 ( 3.315 0.000 -6.641) 7.422 14.070 ( 2.157 0.000 -4.685) 5.158 14.430 ( 1.235 0.000 8.490) 8.580 14.936 ( -1.126 0.000 -9.178) 9.247 15.233 ( 2.902 0.000 1.229) 3.152 15.398 ( -1.018 0.000 -0.574) 1.169 15.484 ( 0.441 0.000 8.171) 8.183 16.091 ( 3.785 0.000 -12.528) 13.087 ======================= Grid point 144 (79/111) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -2.182 10.114 16.592) 19.554 1.452 ( 3.950 3.768 16.168) 17.065 1.709 ( -1.474 -3.631 7.340) 8.320 1.778 ( -1.121 1.840 -4.448) 4.942 1.912 ( -0.473 -8.888 10.698) 13.917 2.009 ( -2.625 -5.366 -0.650) 6.008 2.182 ( -1.038 3.970 1.113) 4.252 2.245 ( 1.027 0.273 0.585) 1.213 2.306 ( -1.874 -0.296 9.366) 9.556 2.349 ( -0.060 -1.898 -2.822) 3.401 2.477 ( -0.084 4.293 2.252) 4.849 2.550 ( 0.049 2.429 0.055) 2.430 2.576 ( -0.752 3.316 1.202) 3.607 2.662 ( -2.354 1.626 4.620) 5.435 2.721 ( 1.360 -0.292 2.823) 3.147 2.780 ( 4.233 -5.154 1.226) 6.781 2.857 ( -1.977 -2.960 1.559) 3.886 2.946 ( -1.755 -4.985 0.729) 5.335 2.968 ( 3.581 -0.654 -0.209) 3.646 3.023 ( -0.932 -1.359 -2.225) 2.769 3.360 ( -3.266 3.402 6.584) 8.099 3.559 ( 2.827 -2.965 6.310) 7.523 3.678 ( 4.436 2.520 -1.597) 5.346 3.740 ( -0.877 2.481 0.629) 2.705 3.831 ( 4.909 0.889 0.910) 5.071 3.913 ( -7.712 -5.043 -5.559) 10.762 4.018 ( -3.885 -0.437 -0.066) 3.910 4.135 ( 0.369 -3.690 -1.975) 4.202 4.672 ( -6.419 1.669 3.183) 7.357 4.741 ( 0.509 0.114 11.876) 11.887 4.773 ( -4.203 2.893 19.311) 19.974 4.949 ( -6.800 -0.482 22.446) 23.459 5.053 ( -2.024 -2.645 14.275) 14.659 5.287 ( 6.158 -8.220 -1.145) 10.334 5.575 ( -1.077 0.078 -0.913) 1.414 5.580 ( 5.521 0.507 -6.084) 8.231 5.758 ( -2.112 -0.342 2.779) 3.507 5.777 ( -1.335 2.392 -0.980) 2.910 5.927 ( 1.422 3.500 -1.781) 4.177 5.998 ( 0.869 2.608 -5.851) 6.465 6.036 ( -4.508 -0.591 -0.229) 4.552 6.115 ( 5.680 -1.467 -4.128) 7.173 6.593 ( 0.221 1.086 -2.317) 2.569 6.639 ( 0.278 2.143 -3.346) 3.983 6.661 ( -2.756 1.734 -2.247) 3.956 6.815 ( -1.653 -1.793 -2.330) 3.373 6.982 ( -1.714 5.531 1.336) 5.942 7.108 ( -0.961 -0.827 2.265) 2.596 7.280 ( 0.898 1.537 -1.666) 2.438 7.332 ( 4.015 0.701 -0.095) 4.076 7.386 ( -4.861 1.160 -0.308) 5.007 7.407 ( -4.489 0.847 -4.555) 6.451 7.579 ( -0.648 2.589 -6.228) 6.776 7.681 ( -1.647 -1.357 -6.976) 7.295 7.816 ( 11.994 1.583 -8.879) 15.007 7.842 ( -2.013 4.573 -13.634) 14.520 7.938 ( 3.105 -0.250 -2.074) 3.742 8.057 ( 7.557 1.928 -1.467) 7.935 8.079 ( 1.221 2.442 -4.865) 5.579 8.084 ( 1.333 -5.479 -3.965) 6.894 8.261 ( -1.610 1.093 -3.203) 3.748 8.308 ( 0.243 1.278 -5.517) 5.669 8.620 ( -1.096 1.798 2.031) 2.926 8.735 ( -1.955 -2.987 -2.400) 4.302 8.818 ( -4.065 6.823 5.583) 9.708 8.874 ( 1.133 9.716 3.252) 10.309 9.219 ( -1.935 -7.918 6.975) 10.728 9.336 ( 0.167 -1.009 4.354) 4.473 9.374 ( 0.987 -5.729 5.227) 7.818 9.429 ( 3.691 -3.265 7.954) 9.357 9.538 ( -2.231 -0.045 0.890) 2.402 9.683 ( 0.600 5.957 5.507) 8.135 9.791 ( -0.454 -3.036 -4.135) 5.150 9.919 ( 0.297 0.568 3.260) 3.323 9.987 ( -5.661 0.993 -0.131) 5.749 10.090 ( 2.226 2.149 16.132) 16.426 10.193 ( -4.015 -0.793 3.067) 5.114 10.383 ( -3.021 7.332 6.952) 10.546 10.576 ( -3.930 -9.669 -0.316) 10.442 10.808 ( 2.011 3.683 -6.779) 7.973 10.850 ( 5.827 -1.260 -1.062) 6.056 10.901 ( -1.889 -2.841 6.356) 7.214 10.986 ( 1.857 -5.772 -3.605) 7.054 11.133 ( 5.938 -3.538 -1.349) 7.042 11.187 ( 3.384 2.508 -2.094) 4.704 11.361 ( -2.101 -7.117 -2.663) 7.884 11.711 ( 1.955 -0.722 4.176) 4.667 11.786 ( -5.365 -2.866 1.207) 6.201 12.115 ( -5.834 2.167 9.531) 11.383 12.295 ( -6.258 -5.877 6.978) 11.063 12.462 ( 0.083 -10.526 3.060) 10.963 12.526 ( -2.828 -14.935 3.391) 15.574 12.567 ( 4.688 1.747 -5.403) 7.363 12.695 ( 0.562 -7.040 1.067) 7.142 12.727 ( -0.985 -1.638 -2.412) 3.077 12.807 ( 3.787 -0.927 -3.914) 5.524 13.387 ( 0.150 5.704 1.623) 5.932 13.477 ( 4.638 5.373 -2.610) 7.563 13.763 ( 0.730 18.454 9.375) 20.712 13.812 ( 0.574 -1.271 3.046) 3.350 13.958 ( 1.293 -9.615 -2.835) 10.107 14.147 ( -0.992 19.396 -8.072) 21.032 14.430 ( 0.056 -6.146 7.968) 10.063 14.763 ( -4.040 -7.107 -8.035) 11.462 15.363 ( 4.166 4.171 2.479) 6.395 15.536 ( 2.399 3.702 2.193) 4.926 15.569 ( 1.393 8.455 -1.303) 8.667 15.991 ( -0.826 -5.555 -13.758) 14.860 ======================= Grid point 145 (80/111) ======================= q-point: ( 0.11 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 4.234 7.772 15.203) 17.591 1.629 ( 5.596 -1.661 6.976) 9.096 1.767 ( 3.882 2.541 3.574) 5.857 1.778 ( 3.734 0.438 3.452) 5.104 1.952 ( -0.118 -7.501 -1.565) 7.663 2.016 ( 1.868 -6.876 11.532) 13.556 2.161 ( -0.183 3.918 -1.569) 4.224 2.230 ( 0.337 2.350 -6.164) 6.605 2.334 ( -0.387 -1.675 -1.507) 2.286 2.370 ( 0.286 -0.399 8.232) 8.246 2.489 ( -1.283 5.313 2.041) 5.834 2.535 ( -1.945 2.964 1.263) 3.764 2.592 ( 2.341 0.358 2.339) 3.328 2.647 ( -2.279 0.956 5.343) 5.887 2.742 ( -0.976 -0.415 0.753) 1.301 2.798 ( -0.468 -1.240 -0.505) 1.419 2.867 ( -0.341 -3.682 2.990) 4.755 2.912 ( -1.329 -3.801 -1.658) 4.354 2.954 ( -1.092 -0.504 -0.729) 1.406 3.031 ( -0.987 -4.254 -1.072) 4.496 3.367 ( 0.757 2.765 7.392) 7.928 3.572 ( -9.501 -4.541 0.485) 10.542 3.656 ( -2.420 1.849 -0.572) 3.099 3.668 ( -1.172 0.394 2.053) 2.397 3.805 ( 0.274 -0.499 -5.851) 5.878 3.939 ( 3.159 -3.763 0.994) 5.013 4.068 ( 5.553 0.329 4.280) 7.019 4.139 ( 1.541 -1.424 -1.149) 2.392 4.514 ( -8.969 4.749 0.607) 10.167 4.773 ( -8.420 5.298 30.591) 32.168 4.811 ( -0.653 -8.714 3.662) 9.474 4.975 ( -6.632 -2.291 25.123) 26.084 5.108 ( 2.528 2.126 4.993) 5.987 5.366 ( 2.096 -2.769 -1.420) 3.752 5.509 ( -4.057 -0.814 0.019) 4.138 5.646 ( 0.756 -3.118 -4.387) 5.435 5.696 ( -2.197 2.779 -0.997) 3.680 5.757 ( 1.096 -0.531 -0.339) 1.264 5.882 ( -0.836 5.655 -2.677) 6.312 6.014 ( 1.701 2.221 -4.196) 5.043 6.053 ( 4.778 -1.080 -0.367) 4.912 6.201 ( 3.736 -1.973 -1.556) 4.502 6.548 ( -2.335 0.398 -3.032) 3.847 6.584 ( 0.125 -0.984 -0.507) 1.114 6.718 ( 3.803 4.805 -0.971) 6.204 6.775 ( 0.025 3.331 -3.498) 4.830 6.943 ( -4.440 3.504 3.877) 6.857 7.083 ( -4.585 -0.761 4.810) 6.688 7.301 ( 0.556 0.122 -3.511) 3.556 7.306 ( -1.237 -0.979 -7.628) 7.789 7.357 ( 2.282 -0.722 2.137) 3.208 7.422 ( 2.666 -1.392 0.921) 3.145 7.551 ( 2.245 3.769 -4.179) 6.059 7.627 ( -0.191 2.882 -5.573) 6.277 7.725 ( -0.856 3.366 -11.762) 12.264 7.869 ( -5.385 1.728 -0.282) 5.663 7.928 ( -2.751 -2.040 -7.912) 8.622 8.013 ( 2.967 4.861 -6.991) 9.017 8.081 ( 4.971 -4.969 -6.469) 9.553 8.232 ( 10.623 -0.809 -3.061) 11.085 8.348 ( 6.460 2.055 -1.724) 6.994 8.412 ( 9.111 1.888 -3.139) 9.820 8.597 ( -3.199 0.934 1.691) 3.737 8.649 ( -1.782 -0.993 -0.456) 2.090 8.797 ( 1.022 10.838 4.415) 11.748 9.023 ( 7.919 3.664 3.221) 9.301 9.214 ( -2.026 -7.581 4.734) 9.164 9.317 ( -4.388 0.686 1.553) 4.705 9.435 ( -0.487 -0.112 8.355) 8.370 9.502 ( 0.744 -2.399 4.769) 5.390 9.585 ( 5.347 -5.008 2.028) 7.601 9.694 ( -0.632 -2.106 -1.862) 2.881 9.776 ( -0.471 1.565 2.392) 2.897 9.862 ( -8.629 0.284 8.782) 12.316 9.940 ( 3.017 3.727 -4.395) 6.504 10.098 ( -5.062 -3.776 0.824) 6.369 10.208 ( -0.628 1.938 16.296) 16.423 10.275 ( -8.983 1.952 2.420) 9.506 10.523 ( -3.564 -0.843 3.806) 5.282 10.686 ( -7.220 -1.116 -5.428) 9.101 10.821 ( -4.456 -1.574 -3.755) 6.036 10.949 ( 2.368 -2.386 -2.435) 4.151 11.063 ( 4.517 -1.484 -2.113) 5.203 11.223 ( 1.709 2.587 -3.078) 4.369 11.251 ( 2.983 -1.983 1.774) 3.997 11.311 ( 1.630 -4.392 -4.908) 6.785 11.669 ( -7.060 -1.260 1.958) 7.434 11.748 ( -1.249 -3.021 5.228) 6.166 12.086 ( -2.921 2.454 10.124) 10.818 12.245 ( -3.636 -5.027 9.150) 11.055 12.488 ( 1.353 -9.215 1.475) 9.430 12.502 ( -1.547 -13.961 3.389) 14.450 12.639 ( 4.830 -4.645 -4.688) 8.178 12.691 ( -1.286 -3.896 -0.167) 4.106 12.714 ( 1.043 -1.273 -0.330) 1.679 12.860 ( 4.434 -1.450 -5.505) 7.216 13.365 ( -2.072 7.955 -1.191) 8.306 13.554 ( 5.244 2.165 -4.434) 7.200 13.789 ( -2.247 22.185 9.167) 24.109 13.847 ( -1.002 -3.355 3.373) 4.862 13.961 ( 1.285 -6.439 -5.039) 8.276 14.071 ( -1.537 17.646 -7.870) 19.383 14.472 ( -0.973 -7.473 9.536) 12.154 14.645 ( -3.806 -6.922 -5.710) 9.747 15.405 ( -0.633 7.364 -1.757) 7.597 15.548 ( 3.569 8.741 -5.356) 10.855 15.653 ( 2.246 -3.550 6.080) 7.390 15.873 ( -2.978 -4.701 -12.396) 13.588 ======================= Grid point 146 (81/111) ======================= q-point: ( 0.22 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 7.268 6.044 10.230) 13.928 1.730 ( 5.175 -1.572 -2.657) 6.026 1.888 ( 7.872 -0.380 2.730) 8.341 1.959 ( 8.032 1.120 3.442) 8.810 1.967 ( 2.777 -3.714 6.310) 7.831 2.125 ( 3.056 -2.565 5.989) 7.196 2.189 ( 2.827 0.381 -0.636) 2.923 2.199 ( 0.285 3.282 -3.656) 4.921 2.291 ( -4.480 2.954 0.986) 5.456 2.354 ( -3.389 1.530 0.080) 3.719 2.455 ( -0.619 -2.150 2.703) 3.509 2.542 ( -0.875 -1.271 1.316) 2.028 2.587 ( -4.148 -0.890 2.648) 5.001 2.642 ( -1.344 -1.587 3.962) 4.475 2.716 ( -2.527 1.814 -0.814) 3.215 2.806 ( 0.443 -1.104 0.124) 1.196 2.854 ( -3.598 -0.486 -1.524) 3.938 2.864 ( 0.719 1.653 1.374) 2.267 2.944 ( -1.629 -2.516 -0.047) 2.997 2.961 ( -4.799 -2.736 -0.523) 5.549 3.372 ( -7.427 -1.449 -0.779) 7.607 3.443 ( 1.256 -4.004 5.521) 6.935 3.638 ( 1.071 1.847 0.275) 2.153 3.671 ( -2.793 3.513 3.281) 5.559 3.807 ( 4.136 -5.703 -5.216) 8.766 3.937 ( -2.349 -7.737 0.210) 8.088 4.148 ( -0.133 3.997 -0.289) 4.009 4.217 ( 5.425 0.546 4.428) 7.024 4.405 ( -2.859 6.282 2.766) 7.435 4.753 ( -6.356 -2.873 13.982) 15.625 4.815 ( -4.379 -4.334 15.607) 16.779 4.983 ( -7.825 -3.928 27.178) 28.553 5.167 ( 0.927 5.808 1.126) 5.988 5.303 ( -5.790 4.636 -1.636) 7.596 5.478 ( -1.568 -4.701 1.999) 5.344 5.574 ( -0.949 -1.608 -5.685) 5.984 5.718 ( 2.844 2.220 -2.763) 4.544 5.800 ( 3.579 -2.463 -1.843) 4.720 5.876 ( 0.622 5.108 -3.102) 6.008 6.037 ( 3.139 3.052 -3.706) 5.736 6.130 ( 2.996 -3.521 -0.788) 4.690 6.236 ( 0.375 -2.211 2.135) 3.096 6.522 ( 0.115 3.266 -0.913) 3.393 6.618 ( 2.724 0.027 2.474) 3.680 6.735 ( -0.242 7.138 -2.245) 7.487 6.782 ( 1.091 1.774 -2.028) 2.907 6.873 ( -3.619 1.325 2.701) 4.706 7.021 ( -3.882 -1.871 4.374) 6.141 7.200 ( -3.713 -2.689 -9.085) 10.176 7.268 ( -1.820 -3.175 -3.288) 4.920 7.426 ( 1.368 -0.210 2.293) 2.679 7.478 ( 2.314 -0.493 1.678) 2.901 7.613 ( 0.858 2.771 -0.793) 3.007 7.638 ( 5.279 2.697 1.240) 6.056 7.662 ( 0.112 4.280 -4.267) 6.045 7.773 ( -2.809 1.908 -1.565) 3.739 7.882 ( 6.346 -2.436 -10.937) 12.877 8.006 ( 2.344 -2.240 -6.200) 6.996 8.211 ( 5.780 0.618 -4.689) 7.468 8.348 ( -4.147 -0.262 2.053) 4.635 8.394 ( 3.482 2.771 1.870) 4.827 8.512 ( 5.283 -1.127 -5.030) 7.381 8.626 ( 9.054 5.604 0.180) 10.649 8.689 ( 3.186 3.094 0.435) 4.463 8.886 ( 4.809 8.525 0.957) 9.834 9.122 ( 0.089 0.251 -0.276) 0.384 9.167 ( -5.127 -4.197 -0.923) 6.690 9.209 ( -6.137 3.281 0.387) 6.970 9.421 ( -5.148 -1.307 8.022) 9.621 9.533 ( -1.685 -0.234 6.390) 6.613 9.651 ( -1.559 -1.720 -1.090) 2.564 9.706 ( 5.403 -5.262 1.167) 7.631 9.776 ( -2.765 -0.373 4.623) 5.400 9.825 ( 2.729 -0.654 6.797) 7.354 9.975 ( 1.144 1.304 -3.048) 3.507 10.081 ( 1.209 -1.450 0.975) 2.125 10.130 ( -1.919 0.898 -2.685) 3.420 10.265 ( -4.488 0.548 15.956) 16.584 10.422 ( -5.853 -3.822 -3.546) 7.839 10.536 ( -8.127 -2.143 4.817) 9.687 10.727 ( -2.109 4.006 -6.625) 8.024 10.915 ( -2.269 -3.509 -6.376) 7.623 11.098 ( -0.472 1.095 -6.027) 6.144 11.181 ( -2.691 1.433 -1.575) 3.432 11.250 ( -0.267 -1.559 -2.928) 3.328 11.371 ( 2.740 -4.853 -1.708) 5.829 11.573 ( -3.756 0.288 2.809) 4.699 11.723 ( -3.960 -2.027 5.444) 7.030 12.124 ( 0.964 1.251 9.116) 9.252 12.253 ( -1.729 -3.064 10.836) 11.392 12.499 ( -0.632 -11.120 2.559) 11.428 12.525 ( 1.278 -9.074 1.532) 9.291 12.651 ( -1.344 -5.543 1.125) 5.813 12.684 ( -0.166 -9.158 0.260) 9.164 12.768 ( 5.787 1.845 -5.061) 7.906 12.906 ( 4.010 -1.989 -7.733) 8.935 13.315 ( -1.865 11.661 -1.350) 11.886 13.620 ( 4.694 0.440 -6.011) 7.639 13.755 ( -8.455 16.438 7.906) 20.104 13.818 ( -1.369 1.912 1.375) 2.724 13.945 ( 0.780 0.414 -7.744) 7.794 14.020 ( 0.555 12.025 -5.271) 13.141 14.489 ( -2.957 -8.401 8.354) 12.211 14.562 ( -2.183 -6.451 -2.764) 7.350 15.364 ( -1.013 7.461 -3.464) 8.288 15.586 ( 2.253 4.074 -4.482) 6.462 15.685 ( -0.411 -5.008 -1.525) 5.251 15.781 ( -0.628 -1.737 -4.857) 5.197 ======================= Grid point 147 (82/111) ======================= q-point: ( 0.33 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 7.492 4.496 4.766) 9.953 1.815 ( 5.614 0.725 -4.367) 7.149 2.017 ( -1.586 2.684 1.917) 3.660 2.072 ( 8.532 -0.070 3.275) 9.139 2.134 ( 3.919 0.335 -1.437) 4.188 2.169 ( 0.304 0.701 0.650) 1.003 2.188 ( 0.852 0.211 6.224) 6.285 2.217 ( 2.537 0.114 3.517) 4.338 2.249 ( -1.396 -1.075 -0.563) 1.850 2.318 ( -1.610 -0.976 0.996) 2.130 2.474 ( -1.534 -1.824 1.321) 2.725 2.488 ( -1.942 -1.572 2.310) 3.403 2.558 ( -1.174 0.278 3.369) 3.579 2.595 ( -3.733 -0.988 2.710) 4.717 2.689 ( -0.256 0.822 0.945) 1.278 2.751 ( -5.498 1.302 -1.076) 5.752 2.803 ( -1.043 -0.654 0.218) 1.250 2.829 ( -4.009 -1.143 -3.790) 5.634 2.867 ( -2.524 -2.428 0.322) 3.517 2.918 ( -2.675 -3.408 -0.045) 4.332 3.317 ( 0.742 -2.372 1.552) 2.930 3.424 ( -4.935 -4.271 2.477) 6.980 3.619 ( -1.848 3.278 1.356) 4.000 3.700 ( 1.551 4.070 1.749) 4.693 3.828 ( -1.898 -5.345 0.955) 5.752 3.937 ( 4.392 -6.423 -3.343) 8.469 4.155 ( 2.727 5.578 -1.891) 6.491 4.320 ( 1.065 -2.101 4.718) 5.273 4.391 ( -0.772 5.920 4.291) 7.352 4.713 ( -4.393 -6.108 8.384) 11.265 4.808 ( -6.366 -0.677 18.137) 19.234 4.983 ( -8.031 -4.228 26.528) 28.038 5.138 ( -4.318 4.859 1.088) 6.591 5.211 ( -2.110 1.992 -2.449) 3.798 5.442 ( -0.814 -0.691 -4.647) 4.768 5.546 ( 0.753 -1.401 -5.876) 6.088 5.754 ( 1.277 6.810 0.083) 6.929 5.852 ( 0.230 1.564 0.026) 1.581 5.864 ( 1.544 -0.097 -1.127) 1.914 6.083 ( 3.444 3.494 -4.324) 6.540 6.152 ( -0.399 -7.302 2.080) 7.603 6.251 ( -0.982 -2.091 4.505) 5.063 6.527 ( 0.884 5.146 -0.191) 5.225 6.654 ( -1.125 0.870 1.603) 2.143 6.718 ( -0.823 2.558 1.291) 2.981 6.838 ( 7.505 3.014 -3.119) 8.668 6.877 ( 3.244 -0.248 -1.884) 3.760 6.962 ( -3.711 -4.543 1.689) 6.104 7.135 ( 1.973 -0.454 -5.664) 6.015 7.212 ( -2.412 -1.155 -0.445) 2.711 7.391 ( -4.886 -1.074 -0.167) 5.005 7.469 ( -3.032 -1.570 0.382) 3.436 7.641 ( 2.835 3.143 -1.780) 4.591 7.705 ( 2.097 1.005 -1.499) 2.767 7.740 ( 5.379 2.209 4.090) 7.109 7.821 ( 7.085 3.684 -0.667) 8.013 7.963 ( 4.942 -2.909 -7.612) 9.530 8.027 ( 4.197 -3.863 -7.976) 9.805 8.205 ( -2.889 2.227 2.046) 4.183 8.291 ( -1.534 -0.790 2.400) 2.956 8.445 ( 4.221 5.573 -2.219) 7.334 8.642 ( 4.583 0.968 3.526) 5.863 8.748 ( 3.292 4.509 -1.656) 5.823 8.795 ( 6.089 -0.134 6.088) 8.611 8.950 ( 1.368 5.220 -0.313) 5.405 9.019 ( -7.473 2.529 -2.118) 8.169 9.055 ( -3.528 -1.316 -2.199) 4.361 9.110 ( -4.436 5.243 -3.266) 7.606 9.352 ( -5.972 -1.749 6.210) 8.792 9.522 ( -2.354 -0.034 6.275) 6.702 9.600 ( -2.988 -0.127 1.056) 3.171 9.773 ( -1.066 0.307 6.904) 6.993 9.858 ( 7.556 -6.298 3.781) 10.538 9.907 ( -1.053 -1.413 -1.706) 2.453 9.983 ( 4.145 -0.747 -3.373) 5.396 10.026 ( -1.822 6.040 -0.960) 6.382 10.198 ( 4.610 -4.923 -3.610) 7.650 10.227 ( -5.451 1.740 7.806) 9.679 10.354 ( -1.370 -4.948 2.670) 5.787 10.433 ( -3.160 -2.315 0.869) 4.013 10.646 ( -3.887 1.220 -2.770) 4.926 10.802 ( -6.464 -5.754 -6.092) 10.583 10.979 ( -4.634 5.712 -7.436) 10.459 11.134 ( -2.287 -0.024 -1.165) 2.566 11.214 ( -2.552 -0.456 -4.221) 4.953 11.385 ( 0.858 -7.126 -0.857) 7.228 11.549 ( -0.876 0.833 1.979) 2.319 11.685 ( -1.974 -0.550 2.464) 3.205 12.199 ( 0.845 1.834 7.689) 7.950 12.299 ( 0.203 -1.561 11.909) 12.013 12.505 ( 0.103 -10.448 2.176) 10.673 12.558 ( 1.378 -7.811 1.684) 8.108 12.614 ( -3.615 -4.072 3.179) 6.305 12.699 ( 1.395 -12.145 0.487) 12.235 12.846 ( 5.595 1.340 -7.224) 9.235 12.915 ( 2.013 -1.563 -9.923) 10.245 13.297 ( 0.005 12.416 1.826) 12.550 13.588 ( -11.639 11.999 5.540) 17.611 13.664 ( 3.808 1.032 -7.095) 8.118 13.795 ( -0.635 5.121 -4.166) 6.632 13.912 ( -0.543 8.853 -3.702) 9.611 14.030 ( 2.724 4.677 -3.822) 6.626 14.460 ( -3.648 -8.529 5.300) 10.684 14.520 ( -1.872 -6.111 0.051) 6.391 15.344 ( 0.726 5.747 -2.201) 6.197 15.568 ( -0.679 -1.055 -4.914) 5.072 15.673 ( 1.680 -0.983 -4.990) 5.356 15.761 ( -0.622 -1.087 -1.466) 1.929 ======================= Grid point 148 (83/111) ======================= q-point: (-0.56 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -1.750 3.378 0.850) 3.898 1.887 ( 5.547 2.406 -1.034) 6.134 1.922 ( -1.493 5.675 1.393) 6.031 2.111 ( -3.926 -1.142 -0.164) 4.092 2.132 ( -5.912 -1.890 -0.044) 6.207 2.181 ( -3.459 1.055 -0.042) 3.617 2.239 ( 4.352 -1.458 1.748) 4.912 2.286 ( 1.550 0.874 2.303) 2.910 2.296 ( 2.817 -0.635 6.365) 6.989 2.315 ( 0.712 0.826 4.919) 5.039 2.424 ( -1.807 -0.493 2.580) 3.188 2.486 ( -2.369 -3.165 1.744) 4.321 2.543 ( -1.742 -0.305 2.890) 3.388 2.587 ( 1.906 -2.226 1.995) 3.545 2.650 ( -5.462 1.017 0.806) 5.614 2.723 ( 2.464 2.474 0.440) 3.519 2.737 ( -2.919 -0.307 -2.362) 3.767 2.794 ( 1.790 -0.405 -2.470) 3.077 2.846 ( -2.661 -3.573 -2.248) 4.990 2.867 ( 1.717 -4.418 0.699) 4.792 3.341 ( -3.318 -1.192 2.985) 4.620 3.380 ( 2.537 -4.747 3.025) 6.174 3.590 ( -0.971 2.069 -0.513) 2.343 3.685 ( -2.655 -0.388 -0.187) 2.690 3.823 ( 0.849 1.615 2.027) 2.727 3.991 ( -0.630 -4.189 -1.230) 4.411 4.175 ( 0.404 4.504 -5.036) 6.768 4.273 ( -5.896 -1.223 5.582) 8.211 4.476 ( 4.632 1.239 6.813) 8.331 4.691 ( -2.060 -5.332 8.017) 9.846 4.788 ( -6.129 2.304 17.045) 18.259 4.974 ( -8.875 -3.605 27.210) 28.847 5.067 ( -3.115 1.518 1.284) 3.695 5.156 ( -2.022 -4.001 -4.373) 6.263 5.401 ( 0.827 4.921 -9.515) 10.744 5.539 ( 1.590 -2.552 -3.777) 4.828 5.760 ( -1.340 10.061 3.381) 10.698 5.852 ( -0.109 1.201 2.034) 2.365 5.875 ( -1.609 1.523 2.184) 3.111 6.084 ( 0.554 5.006 -6.987) 8.613 6.151 ( -4.755 -6.117 7.395) 10.710 6.272 ( 2.592 -3.941 2.534) 5.354 6.563 ( 2.389 4.121 1.578) 5.018 6.644 ( 0.680 0.380 -1.916) 2.068 6.728 ( 1.397 -1.251 1.292) 2.277 6.847 ( -3.235 -5.445 0.802) 6.384 6.975 ( 5.712 0.324 -2.568) 6.271 7.017 ( 7.672 0.717 -4.387) 8.866 7.148 ( -0.306 1.698 -1.661) 2.394 7.232 ( 7.439 -1.104 -4.596) 8.814 7.293 ( -4.200 0.576 -1.024) 4.361 7.396 ( -2.306 0.997 -3.149) 4.028 7.675 ( 1.825 -0.056 -2.508) 3.103 7.718 ( 0.256 0.167 -2.352) 2.372 7.826 ( 0.194 0.759 2.917) 3.021 7.960 ( 6.297 0.610 -4.460) 7.741 7.972 ( 2.829 -2.713 -1.626) 4.243 8.062 ( 2.997 -2.959 -7.617) 8.704 8.213 ( 1.316 2.253 5.681) 6.251 8.331 ( 4.022 0.144 1.270) 4.220 8.530 ( 5.865 10.357 -2.445) 12.151 8.692 ( -2.182 3.983 6.796) 8.174 8.777 ( -0.222 -1.466 1.761) 2.302 8.866 ( -4.092 3.430 -1.410) 5.522 8.914 ( -2.297 5.404 2.084) 6.231 8.942 ( 0.098 0.621 -3.705) 3.758 9.007 ( -1.370 3.545 2.587) 4.597 9.077 ( 4.620 0.219 2.604) 5.308 9.276 ( -4.536 0.754 4.000) 6.094 9.537 ( 0.410 -2.067 5.655) 6.035 9.554 ( -2.413 3.543 -0.690) 4.342 9.771 ( -4.409 0.532 3.123) 5.429 9.832 ( -2.816 -5.300 0.690) 6.041 9.931 ( -2.622 1.042 -3.057) 4.160 10.000 ( 2.477 -3.512 4.670) 6.347 10.067 ( 0.732 1.739 -2.511) 3.141 10.197 ( 0.052 -0.743 -2.688) 2.789 10.229 ( -2.562 -1.623 6.683) 7.339 10.326 ( -0.621 -3.366 0.413) 3.448 10.442 ( 2.121 -4.502 -2.929) 5.775 10.575 ( -4.048 -1.421 6.100) 7.458 10.615 ( -5.601 -7.235 -7.405) 11.771 10.895 ( 0.053 5.372 -7.498) 9.224 11.032 ( -6.113 -1.202 -6.301) 8.860 11.165 ( -0.903 2.795 3.779) 4.786 11.398 ( 0.438 -2.755 -2.160) 3.528 11.559 ( 1.373 -3.110 1.122) 3.580 11.673 ( 0.041 -2.467 -1.289) 2.784 12.221 ( -2.898 4.550 8.779) 10.304 12.400 ( 2.755 -2.559 11.082) 11.702 12.529 ( -0.027 -9.992 1.445) 10.096 12.549 ( -2.827 -7.255 4.566) 9.026 12.612 ( 2.983 -1.714 -1.755) 3.862 12.728 ( 0.895 -10.466 1.141) 10.565 12.864 ( 0.378 -0.509 -10.181) 10.201 12.903 ( 3.128 -0.166 -7.665) 8.280 13.321 ( -0.641 8.016 5.347) 9.657 13.410 ( -9.765 12.455 6.500) 17.110 13.683 ( 2.818 3.569 -8.772) 9.881 13.759 ( 1.907 6.802 -10.920) 13.006 13.888 ( -1.472 8.390 2.455) 8.865 14.064 ( 2.751 2.641 -3.876) 5.437 14.406 ( -5.884 -7.687 6.896) 11.886 14.509 ( 2.163 -6.542 -1.990) 7.172 15.364 ( 1.997 4.753 -0.502) 5.179 15.523 ( -1.401 -0.824 -4.690) 4.964 15.690 ( 2.779 -1.208 -4.006) 5.023 15.731 ( -0.835 -0.936 -3.305) 3.535 ======================= Grid point 149 (84/111) ======================= q-point: (-0.44 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -11.128 6.101 4.100) 13.336 1.918 ( -8.553 -2.109 0.911) 8.856 1.965 ( 0.299 2.054 1.772) 2.729 1.988 ( -6.010 1.629 5.466) 8.286 2.067 ( -0.307 0.639 0.923) 1.164 2.125 ( 0.155 1.410 0.805) 1.631 2.266 ( -2.049 0.313 0.475) 2.127 2.300 ( 0.579 1.438 0.328) 1.584 2.342 ( -1.931 -2.723 2.324) 4.068 2.382 ( 0.388 -0.237 4.461) 4.484 2.409 ( -1.775 -0.354 5.707) 5.987 2.419 ( -2.347 -0.368 3.587) 4.303 2.555 ( -1.731 0.158 1.945) 2.608 2.589 ( -0.311 0.420 2.928) 2.974 2.637 ( 0.870 -4.587 2.317) 5.212 2.731 ( 3.009 -4.370 -2.613) 5.914 2.740 ( 2.326 2.008 -2.217) 3.789 2.818 ( 2.100 0.560 -3.348) 3.991 2.856 ( 1.755 -1.961 1.227) 2.904 2.892 ( 1.685 -3.229 -3.237) 4.873 3.337 ( 0.617 1.121 5.183) 5.339 3.416 ( 0.027 -1.536 0.391) 1.585 3.614 ( -1.133 -2.285 -1.657) 3.041 3.651 ( 4.354 -2.535 -1.221) 5.184 3.829 ( -9.852 4.591 0.617) 10.887 3.869 ( 1.014 5.715 3.064) 6.563 4.110 ( -10.992 -5.470 2.107) 12.457 4.255 ( 4.249 -6.152 4.026) 8.492 4.589 ( 2.770 0.467 3.620) 4.582 4.720 ( -5.340 1.615 21.213) 21.934 4.772 ( -0.491 2.403 4.064) 4.747 4.957 ( -9.272 -4.307 27.762) 29.585 5.046 ( 0.415 -1.616 1.387) 2.170 5.095 ( -2.596 -4.097 -0.893) 4.932 5.372 ( 1.696 6.261 -8.960) 11.061 5.562 ( 2.644 -0.587 -3.483) 4.412 5.749 ( -1.803 5.975 3.002) 6.926 5.843 ( -2.233 2.697 2.279) 4.178 5.866 ( 0.686 0.764 1.143) 1.537 6.050 ( -8.476 -3.888 6.365) 11.291 6.059 ( 1.018 7.728 -7.604) 10.889 6.344 ( 1.766 -5.508 4.546) 7.357 6.623 ( 2.057 1.491 1.392) 2.897 6.643 ( 0.437 0.711 -4.038) 4.123 6.767 ( 2.369 -1.692 0.579) 2.968 6.831 ( 1.839 -3.825 -1.652) 4.554 7.037 ( 1.287 -0.473 0.046) 1.372 7.080 ( -0.353 1.980 0.586) 2.095 7.126 ( 1.736 -3.473 -6.377) 7.466 7.238 ( -0.091 3.592 -0.445) 3.621 7.350 ( 5.372 1.938 -4.731) 7.416 7.452 ( 12.635 0.041 -11.167) 16.862 7.670 ( -1.497 -1.507 -2.564) 3.329 7.688 ( -1.432 -2.806 -2.102) 3.787 7.813 ( -1.213 1.556 -0.575) 2.055 7.970 ( 0.082 0.975 -1.238) 1.578 8.043 ( 0.088 -4.036 -6.575) 7.715 8.087 ( 5.646 -0.371 -5.192) 7.679 8.279 ( 2.171 2.370 3.698) 4.900 8.410 ( 3.489 -1.682 -4.190) 5.706 8.629 ( 1.805 9.487 3.130) 10.152 8.669 ( -2.054 8.207 3.833) 9.287 8.698 ( -3.683 10.322 -4.505) 11.849 8.809 ( -3.175 -2.020 1.002) 3.894 8.898 ( 1.082 0.602 -0.281) 1.270 8.910 ( 1.665 0.783 -0.941) 2.066 9.108 ( 3.693 0.638 7.980) 8.816 9.171 ( 0.215 0.981 3.133) 3.291 9.271 ( 3.159 2.988 7.872) 8.993 9.449 ( -5.879 6.771 -7.249) 11.530 9.605 ( -0.054 4.352 6.853) 8.118 9.659 ( -4.224 -7.944 4.061) 9.872 9.835 ( -1.051 -0.089 3.599) 3.751 9.881 ( -2.848 -4.143 0.912) 5.109 9.912 ( -7.221 -0.390 -1.582) 7.403 10.057 ( -5.346 -0.181 3.651) 6.476 10.179 ( 0.653 -5.178 0.566) 5.250 10.186 ( -4.957 -1.248 8.244) 9.700 10.333 ( 1.787 -12.195 -6.533) 13.950 10.411 ( -3.470 -6.159 -4.937) 8.623 10.519 ( 2.138 2.690 5.739) 6.689 10.685 ( 6.672 -5.689 2.857) 9.222 10.889 ( 2.321 3.664 -5.336) 6.876 10.901 ( -1.439 1.500 -7.281) 7.572 11.200 ( 1.053 3.956 6.650) 7.809 11.367 ( -1.550 1.464 -4.161) 4.675 11.609 ( 2.264 -5.908 0.572) 6.353 11.671 ( 1.613 -5.226 -2.719) 6.108 12.212 ( -3.399 4.713 10.943) 12.390 12.454 ( -5.385 -6.688 9.122) 12.527 12.521 ( 1.493 -4.843 3.808) 6.338 12.584 ( 2.633 -5.774 -0.633) 6.378 12.658 ( 3.595 2.569 -4.974) 6.654 12.742 ( -0.129 -7.924 0.724) 7.958 12.803 ( -1.533 -3.147 -5.392) 6.429 12.902 ( 1.369 -1.694 -8.341) 8.620 13.262 ( -7.565 12.851 8.957) 17.396 13.352 ( -1.949 2.655 5.558) 6.460 13.673 ( 1.557 4.929 -9.211) 10.563 13.763 ( 5.299 8.615 -11.255) 15.132 13.881 ( -1.736 5.634 4.782) 7.591 14.086 ( 1.979 3.359 -4.096) 5.654 14.330 ( -5.178 -5.425 6.103) 9.669 14.583 ( 6.157 -7.830 -1.105) 10.022 15.406 ( 2.167 4.364 0.407) 4.889 15.454 ( -3.022 1.187 -4.718) 5.727 15.668 ( -1.976 0.086 -3.867) 4.343 15.767 ( 6.137 -3.231 -4.102) 8.058 ======================= Grid point 150 (85/111) ======================= q-point: (-0.33 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -12.641 6.540 8.381) 16.517 1.708 ( -12.836 -0.031 4.139) 13.487 1.847 ( -9.952 1.237 8.192) 12.949 1.989 ( -1.600 -0.381 6.022) 6.243 2.104 ( -3.201 0.219 5.266) 6.166 2.125 ( 0.568 0.240 2.069) 2.159 2.209 ( -1.189 1.691 -3.211) 3.819 2.263 ( -4.947 -1.863 -0.726) 5.336 2.309 ( -1.221 1.968 -0.386) 2.348 2.367 ( -0.000 -1.099 1.170) 1.605 2.445 ( 1.924 0.307 6.252) 6.549 2.470 ( 1.918 -1.820 5.636) 6.225 2.569 ( 0.045 0.967 1.567) 1.842 2.611 ( -0.405 -0.437 1.974) 2.062 2.628 ( 0.085 1.330 3.378) 3.631 2.764 ( 0.882 0.105 -1.471) 1.719 2.776 ( 1.053 -2.973 0.867) 3.271 2.827 ( -0.137 -1.047 -3.708) 3.856 2.903 ( 4.955 -4.630 0.134) 6.783 2.935 ( 4.012 -2.819 -3.951) 6.297 3.383 ( 1.085 -1.706 4.182) 4.645 3.393 ( -4.795 -1.105 -0.019) 4.921 3.526 ( -2.488 5.638 3.889) 7.287 3.717 ( -1.398 -1.900 -0.300) 2.378 3.803 ( 6.609 -1.342 0.009) 6.744 3.879 ( -8.650 -2.493 2.371) 9.309 3.955 ( 3.279 2.724 2.393) 4.889 4.350 ( 1.317 -10.079 5.952) 11.780 4.607 ( -0.429 2.873 -3.582) 4.612 4.714 ( -8.537 3.303 28.147) 29.598 4.823 ( 2.949 1.362 0.035) 3.249 4.940 ( -8.774 -3.125 27.576) 29.106 5.045 ( -2.893 -2.115 2.833) 4.569 5.083 ( 0.677 -3.566 4.222) 5.568 5.373 ( 3.253 7.682 -5.843) 10.185 5.578 ( 0.426 2.964 -2.661) 4.005 5.741 ( 0.466 -1.192 0.587) 1.408 5.841 ( 1.722 2.610 -1.144) 3.330 5.893 ( 2.712 0.057 -3.152) 4.159 5.914 ( -8.540 -3.556 4.788) 10.416 6.043 ( 1.169 7.493 -5.669) 9.469 6.385 ( -0.330 -5.999 3.891) 7.158 6.583 ( -1.958 2.140 -3.579) 4.607 6.676 ( 0.742 1.798 1.953) 2.756 6.816 ( 2.264 -1.968 -4.081) 5.065 6.862 ( 2.559 -5.144 -3.861) 6.922 7.017 ( -0.855 6.754 0.266) 6.813 7.086 ( 1.004 -0.465 -0.510) 1.218 7.174 ( 4.504 -4.297 0.436) 6.240 7.265 ( 1.838 0.873 1.114) 2.320 7.417 ( 5.801 6.431 -7.642) 11.550 7.591 ( 1.904 -3.248 -8.177) 9.002 7.602 ( -1.196 -0.948 -5.945) 6.137 7.673 ( 3.502 -3.983 -1.846) 5.616 7.773 ( -2.095 2.946 -2.896) 4.632 7.943 ( -2.137 6.204 -4.141) 7.760 7.981 ( -2.724 -6.705 -3.407) 8.000 8.128 ( 2.912 -1.743 -9.403) 9.997 8.327 ( 1.220 2.144 -1.025) 2.671 8.401 ( 0.072 0.081 -7.957) 7.958 8.529 ( -5.480 11.711 -5.414) 14.018 8.583 ( -6.597 6.022 6.551) 11.077 8.731 ( -5.726 -1.849 1.179) 6.132 8.809 ( 5.133 4.110 2.203) 6.935 8.954 ( 1.905 -0.368 -0.853) 2.119 8.962 ( 1.977 -0.544 0.002) 2.051 9.053 ( -1.411 6.584 -1.042) 6.814 9.212 ( -4.016 4.099 -5.164) 7.720 9.367 ( 0.545 2.954 5.209) 6.013 9.414 ( 6.325 2.336 10.538) 12.510 9.555 ( -3.909 5.349 9.832) 11.856 9.682 ( -4.601 -0.753 4.419) 6.424 9.776 ( -1.455 -3.119 6.019) 6.934 9.800 ( -6.457 -3.148 2.318) 7.548 9.877 ( -0.634 -3.874 10.408) 11.124 9.986 ( -4.779 1.204 1.897) 5.281 10.146 ( -0.266 -5.599 3.965) 6.865 10.211 ( 5.014 -7.662 -7.970) 12.139 10.331 ( -0.385 -10.653 -7.044) 12.777 10.391 ( 3.153 -4.731 8.928) 10.585 10.617 ( 2.571 3.615 6.947) 8.243 10.796 ( 4.604 -0.518 -3.402) 5.748 10.901 ( 6.341 -2.373 -2.682) 7.282 10.954 ( 4.179 -2.283 -1.658) 5.042 11.265 ( 0.938 3.608 3.986) 5.457 11.307 ( -0.995 3.832 -3.347) 5.184 11.611 ( -0.568 -5.383 -2.335) 5.895 11.732 ( 4.453 -6.156 0.264) 7.603 12.233 ( -1.105 1.844 12.874) 13.052 12.383 ( -6.384 -4.793 7.382) 10.873 12.542 ( -0.352 -2.296 -1.367) 2.696 12.609 ( -0.031 -3.593 -0.839) 3.690 12.690 ( 2.790 2.751 -5.893) 7.076 12.723 ( -2.414 -4.572 0.075) 5.170 12.756 ( -1.600 -9.949 -0.005) 10.077 12.866 ( -0.078 -2.259 -8.176) 8.483 13.206 ( -3.488 13.806 9.965) 17.380 13.348 ( -1.375 1.148 5.366) 5.657 13.647 ( 0.778 5.007 -6.987) 8.631 13.824 ( 6.039 3.492 -7.217) 10.037 13.865 ( -2.547 4.785 4.228) 6.874 14.102 ( 2.306 5.483 -3.826) 7.072 14.300 ( -1.148 -1.312 5.377) 5.653 14.714 ( 7.821 -8.695 -1.572) 11.800 15.359 ( -4.048 2.676 -3.534) 6.003 15.440 ( 0.579 2.135 0.269) 2.228 15.611 ( -1.338 4.581 -3.479) 5.906 15.879 ( 8.038 -4.819 -5.666) 10.951 ======================= Grid point 151 (86/111) ======================= q-point: (-0.22 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -11.303 8.004 13.241) 19.161 1.495 ( -12.773 3.932 8.871) 16.041 1.740 ( -6.436 -2.720 10.092) 12.275 1.944 ( -6.155 -4.804 5.024) 9.285 2.005 ( -6.649 0.269 2.847) 7.238 2.150 ( -4.331 -1.130 5.752) 7.288 2.200 ( 0.816 0.524 -1.620) 1.888 2.214 ( 0.485 1.720 3.649) 4.063 2.268 ( -0.926 3.410 -2.233) 4.180 2.376 ( 0.512 -1.644 -0.012) 1.722 2.507 ( -1.831 0.822 6.710) 7.004 2.521 ( -0.488 0.717 1.868) 2.059 2.553 ( -0.288 1.931 5.419) 5.760 2.602 ( 2.072 3.913 0.300) 4.438 2.714 ( 2.634 -4.085 3.881) 6.220 2.760 ( -0.183 -0.334 -4.438) 4.454 2.794 ( -2.151 0.740 5.756) 6.189 2.799 ( 1.946 -2.959 -3.320) 4.854 2.968 ( 2.003 -3.577 -0.269) 4.109 3.003 ( 4.313 -3.951 -1.964) 6.170 3.336 ( 0.835 2.647 2.019) 3.432 3.452 ( 2.544 -4.538 4.384) 6.803 3.541 ( -0.399 -1.389 3.048) 3.373 3.590 ( -7.118 -3.952 3.774) 8.974 3.847 ( 2.973 3.078 -4.044) 5.888 3.929 ( 5.073 -2.839 -0.546) 5.839 4.054 ( 3.936 4.579 3.937) 7.208 4.350 ( -4.237 -8.816 2.517) 10.100 4.573 ( 0.319 5.058 -3.975) 6.441 4.711 ( -7.756 2.436 25.233) 26.511 4.856 ( -1.810 2.342 4.554) 5.431 4.936 ( -7.470 -2.634 28.876) 29.943 5.047 ( 2.957 -4.153 -0.141) 5.100 5.089 ( -4.196 -4.500 8.887) 10.809 5.438 ( 6.008 6.639 -3.923) 9.776 5.564 ( -0.011 2.568 -1.439) 2.944 5.762 ( 0.575 -0.636 0.401) 0.947 5.796 ( -4.909 -4.666 2.815) 7.335 5.878 ( 3.105 2.122 -4.368) 5.764 5.934 ( 4.522 -0.237 -6.995) 8.333 6.043 ( 1.862 6.255 -5.095) 8.279 6.348 ( -5.637 -5.950 2.321) 8.519 6.555 ( 0.798 4.673 -2.253) 5.249 6.680 ( -1.013 3.671 0.869) 3.906 6.794 ( -1.090 -2.590 -3.509) 4.495 6.875 ( -0.043 -4.888 -1.483) 5.108 7.034 ( 2.888 3.997 -4.370) 6.589 7.114 ( 2.032 2.228 -1.741) 3.482 7.228 ( 0.717 -0.524 -0.795) 1.192 7.333 ( 2.543 -4.380 2.456) 5.628 7.501 ( 7.045 3.886 -6.198) 10.156 7.535 ( -0.057 3.301 0.829) 3.404 7.569 ( -0.079 -1.633 -3.033) 3.446 7.660 ( -4.534 -1.066 -0.383) 4.673 7.740 ( 1.268 -0.631 -11.430) 11.517 7.839 ( -4.237 3.696 -4.138) 6.981 7.907 ( -3.047 -3.733 -6.817) 8.348 8.103 ( 0.975 -2.658 -11.390) 11.736 8.261 ( -5.148 5.608 -7.002) 10.344 8.346 ( -3.391 0.172 -3.728) 5.042 8.421 ( -5.377 6.998 -0.430) 8.836 8.515 ( -0.005 8.760 -1.430) 8.876 8.598 ( -7.925 0.752 -0.452) 7.973 8.815 ( -3.234 -4.865 -4.999) 7.688 8.903 ( -1.046 6.500 4.461) 7.953 8.970 ( -2.018 5.987 -2.638) 6.846 9.124 ( 2.876 -0.267 5.022) 5.793 9.207 ( 6.510 -0.208 -1.691) 6.730 9.339 ( -5.902 -3.074 8.985) 11.181 9.512 ( -4.984 1.134 5.022) 7.166 9.601 ( -3.536 7.629 9.024) 12.334 9.655 ( 3.166 -1.780 10.099) 10.732 9.727 ( -0.813 -2.630 3.662) 4.581 9.795 ( -1.386 -1.355 5.550) 5.879 9.905 ( 0.030 1.528 1.376) 2.057 9.988 ( 3.834 -1.838 10.627) 11.446 10.166 ( -1.376 -10.973 -2.864) 11.424 10.293 ( 8.118 -6.643 -5.403) 11.799 10.363 ( 4.501 3.575 7.081) 9.121 10.540 ( 6.868 -4.564 7.359) 11.052 10.665 ( 0.545 0.981 2.429) 2.676 10.896 ( 7.743 0.066 -4.387) 8.899 10.983 ( 2.504 -3.450 -6.894) 8.106 11.033 ( 3.813 -7.899 4.089) 9.677 11.205 ( -3.859 3.300 -2.928) 5.861 11.353 ( 2.545 0.424 1.116) 2.811 11.598 ( 0.432 -3.100 0.536) 3.176 11.813 ( 3.310 -5.485 0.462) 6.423 12.293 ( -6.429 -1.739 7.021) 9.677 12.314 ( 0.402 -4.031 12.786) 13.413 12.507 ( -0.725 1.725 -5.488) 5.799 12.572 ( -4.203 -4.856 2.498) 6.891 12.651 ( -3.828 -5.254 -0.762) 6.545 12.698 ( -0.233 -7.156 -1.217) 7.262 12.740 ( 0.859 -4.863 -2.660) 5.609 12.812 ( -1.099 -1.868 -5.913) 6.298 13.242 ( 1.526 13.520 7.934) 15.750 13.371 ( 0.802 2.237 4.637) 5.211 13.634 ( 0.948 5.415 -2.079) 5.878 13.835 ( -2.427 5.095 3.276) 6.525 13.897 ( 4.013 -4.634 -2.999) 6.824 14.137 ( 3.567 9.562 -3.876) 10.917 14.336 ( 1.520 2.112 4.143) 4.892 14.839 ( 6.315 -9.066 -5.089) 12.164 15.276 ( -2.838 3.763 -0.334) 4.725 15.429 ( -1.725 -2.056 2.578) 3.721 15.592 ( 1.135 12.248 -3.649) 12.831 15.990 ( 7.340 -5.623 -8.954) 12.871 ======================= Grid point 152 (87/111) ======================= q-point: (-0.11 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -7.230 11.013 14.998) 19.963 1.368 ( -6.302 4.993 16.462) 18.320 1.709 ( -3.162 -4.535 9.443) 10.942 1.848 ( -4.641 -2.700 -0.157) 5.371 1.914 ( -4.418 -4.320 4.842) 7.850 2.078 ( -4.583 -3.498 1.573) 5.976 2.195 ( -2.575 1.273 5.040) 5.801 2.214 ( -1.076 2.011 5.896) 6.322 2.301 ( 1.571 2.008 1.339) 2.880 2.368 ( -0.061 -1.118 -3.297) 3.482 2.478 ( -2.852 5.548 4.545) 7.718 2.543 ( 1.757 1.077 2.634) 3.344 2.582 ( -0.869 1.019 2.252) 2.620 2.668 ( 1.501 0.317 -0.518) 1.620 2.695 ( -0.304 -1.927 1.612) 2.531 2.724 ( -1.762 -1.553 2.146) 3.181 2.830 ( 2.655 -1.721 2.459) 4.007 2.870 ( 4.434 -0.678 0.854) 4.567 2.992 ( -0.702 -3.809 -0.368) 3.890 3.041 ( 0.713 -3.021 -0.883) 3.227 3.387 ( -2.302 1.194 6.768) 7.247 3.462 ( 2.613 -1.191 2.769) 3.989 3.570 ( 3.948 -1.161 2.096) 4.618 3.650 ( 5.747 -3.062 3.952) 7.618 3.841 ( -0.411 5.258 -6.061) 8.034 3.980 ( 0.631 -3.211 -1.855) 3.762 4.122 ( 1.002 0.856 1.857) 2.277 4.210 ( -9.920 -4.438 -2.016) 11.054 4.617 ( 6.606 3.840 -3.017) 8.216 4.706 ( -6.501 2.375 21.240) 22.339 4.811 ( -7.642 1.079 15.276) 17.115 4.982 ( -6.810 -3.720 28.718) 29.748 5.029 ( -5.696 -2.286 8.609) 10.573 5.153 ( 7.625 -7.208 -0.774) 10.521 5.521 ( 4.937 2.596 -5.862) 8.092 5.571 ( 1.225 0.315 -0.822) 1.508 5.762 ( 0.751 1.676 2.485) 3.090 5.777 ( -0.753 -1.179 1.043) 1.745 5.902 ( 2.291 2.474 -4.868) 5.922 5.982 ( 4.411 0.816 -6.757) 8.111 6.050 ( 2.611 2.022 -6.547) 7.333 6.209 ( -9.568 -2.561 1.753) 10.059 6.574 ( 2.128 4.742 -2.005) 5.571 6.653 ( -1.382 3.921 -1.200) 4.327 6.753 ( -2.317 -1.759 -2.282) 3.697 6.847 ( -1.838 -5.059 0.462) 5.403 7.026 ( -0.438 4.507 -7.437) 8.707 7.124 ( -0.531 1.598 -0.724) 1.833 7.255 ( 2.589 2.014 2.016) 3.850 7.310 ( -2.268 -1.886 -2.673) 3.981 7.500 ( -5.216 -1.057 -0.238) 5.327 7.530 ( -5.785 0.121 -1.836) 6.070 7.617 ( 5.037 3.726 -4.672) 7.816 7.671 ( 7.009 1.284 -9.356) 11.761 7.734 ( 2.362 -2.484 -1.236) 3.644 7.786 ( 4.236 3.750 -0.092) 5.658 7.819 ( 2.424 -2.698 -7.368) 8.212 8.054 ( 0.445 -2.350 -8.979) 9.292 8.097 ( -5.386 5.759 -10.277) 12.954 8.214 ( -6.020 0.312 -6.997) 9.236 8.332 ( -3.547 3.694 -0.826) 5.188 8.437 ( -7.711 2.375 -3.248) 8.698 8.572 ( 5.126 5.836 -0.494) 7.783 8.740 ( -1.731 -0.941 -2.162) 2.925 8.891 ( -4.005 4.334 3.894) 7.070 8.920 ( -2.902 7.154 0.841) 7.766 9.206 ( 0.422 -5.420 5.703) 7.879 9.299 ( 0.543 -0.754 4.821) 4.909 9.305 ( 1.037 -8.165 7.110) 10.876 9.410 ( -5.329 -2.582 3.937) 7.111 9.587 ( -3.319 5.564 5.330) 8.389 9.652 ( -2.573 2.628 7.107) 8.002 9.801 ( 2.725 -4.635 -2.787) 6.056 9.857 ( 3.478 0.374 4.489) 5.691 9.965 ( 2.122 4.404 10.821) 11.874 10.076 ( -2.299 -2.027 -1.655) 3.483 10.157 ( 2.112 -1.575 11.288) 11.591 10.383 ( 1.995 1.390 -2.998) 3.860 10.531 ( 6.750 -3.960 8.768) 11.753 10.708 ( 4.894 -1.144 4.899) 7.019 10.724 ( 6.160 -2.449 2.287) 7.012 10.927 ( 1.200 1.030 -12.305) 12.407 11.008 ( 1.189 -7.792 -2.157) 8.172 11.089 ( 0.703 -5.314 1.270) 5.509 11.139 ( 0.263 3.841 -1.481) 4.125 11.386 ( 0.616 -6.566 -0.558) 6.618 11.642 ( 2.585 0.042 3.341) 4.224 11.843 ( -0.898 -4.626 0.677) 4.761 12.195 ( -7.244 1.006 7.419) 10.418 12.369 ( -3.618 -9.158 8.622) 13.088 12.455 ( -1.932 -3.345 0.861) 3.958 12.528 ( 0.060 -2.268 0.008) 2.269 12.581 ( -2.994 -7.995 -0.691) 8.565 12.686 ( -0.524 -8.951 1.114) 9.036 12.752 ( 1.843 -1.569 -6.164) 6.622 12.773 ( 0.262 -1.709 -1.661) 2.397 13.331 ( 3.233 9.895 4.967) 11.534 13.418 ( 2.273 4.391 0.821) 5.012 13.674 ( 2.648 7.538 4.593) 9.216 13.813 ( -1.826 6.375 3.439) 7.470 13.940 ( 1.998 -10.125 -1.663) 10.453 14.175 ( 2.534 15.784 -6.079) 17.103 14.385 ( 0.795 -1.018 5.022) 5.185 14.861 ( -0.081 -8.293 -9.112) 12.321 15.275 ( 2.125 4.288 3.018) 5.658 15.447 ( 1.245 -2.715 7.364) 7.947 15.589 ( 0.933 15.602 -5.709) 16.640 16.039 ( 3.767 -5.764 -12.285) 14.084 ======================= Grid point 153 (88/111) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -0.970 -8.603 11.134) 14.104 1.441 ( -0.970 8.603 11.134) 14.104 1.700 ( 0.808 -6.148 14.232) 15.525 1.700 ( 0.808 6.148 14.232) 15.525 1.894 ( -2.252 -5.995 -5.161) 8.225 1.894 ( -2.252 5.995 -5.161) 8.225 2.235 ( 0.327 -1.449 0.892) 1.732 2.235 ( 0.327 1.449 0.892) 1.732 2.313 ( -1.447 -1.534 4.053) 4.569 2.313 ( -1.447 1.534 4.053) 4.569 2.569 ( 0.096 -2.813 0.822) 2.932 2.569 ( 0.096 2.813 0.822) 2.932 2.636 ( 1.021 -3.433 4.418) 5.688 2.636 ( 1.021 3.433 4.418) 5.688 2.746 ( 0.632 -1.423 0.346) 1.595 2.746 ( 0.632 1.423 0.346) 1.595 2.828 ( -1.627 -4.356 1.681) 4.944 2.828 ( -1.627 4.356 1.681) 4.944 2.985 ( 0.327 -2.075 -1.960) 2.873 2.985 ( 0.327 2.075 -1.960) 2.873 3.461 ( -0.002 -6.687 6.745) 9.498 3.461 ( -0.002 6.687 6.745) 9.498 3.738 ( 4.009 -2.606 2.709) 5.495 3.738 ( 4.009 2.606 2.709) 5.495 3.848 ( -3.280 -1.817 -5.313) 6.503 3.848 ( -3.280 1.817 -5.313) 6.503 4.054 ( -2.290 -4.231 -0.362) 4.824 4.054 ( -2.290 4.231 -0.362) 4.824 4.704 ( -2.260 -2.430 3.884) 5.109 4.704 ( -2.260 2.430 3.884) 5.109 4.883 ( -8.674 -6.487 30.519) 32.385 4.883 ( -8.674 6.487 30.519) 32.385 5.110 ( 5.022 -8.368 0.034) 9.760 5.110 ( 5.022 8.368 0.034) 9.760 5.585 ( 2.281 -0.391 -3.637) 4.311 5.585 ( 2.281 0.391 -3.637) 4.311 5.777 ( -1.591 -1.640 1.289) 2.623 5.777 ( -1.591 1.640 1.289) 2.623 6.009 ( -2.692 -3.817 -1.125) 4.805 6.009 ( -2.692 3.817 -1.125) 4.805 6.054 ( 4.459 -3.458 -5.231) 7.695 6.054 ( 4.459 3.458 -5.231) 7.695 6.619 ( -2.993 -1.699 -4.014) 5.287 6.619 ( -2.993 1.699 -4.014) 5.287 6.751 ( 1.577 -4.937 0.559) 5.213 6.751 ( 1.577 4.937 0.559) 5.213 7.074 ( -1.472 -3.429 0.049) 3.732 7.074 ( -1.472 3.429 0.049) 3.732 7.314 ( 0.880 -1.788 -1.520) 2.507 7.314 ( 0.880 1.788 -1.520) 2.507 7.414 ( -3.804 -0.934 -3.142) 5.022 7.414 ( -3.804 0.934 -3.142) 5.022 7.636 ( 0.733 -2.655 -5.503) 6.153 7.636 ( 0.733 2.655 -5.503) 6.153 7.881 ( 8.972 -4.491 -6.229) 11.810 7.881 ( 8.972 4.491 -6.229) 11.810 7.958 ( -2.212 -7.106 -6.319) 9.763 7.958 ( -2.212 7.106 -6.319) 9.763 8.093 ( 3.285 -1.599 -1.860) 4.100 8.093 ( 3.285 1.599 -1.860) 4.100 8.301 ( -1.373 -2.063 -6.206) 6.683 8.301 ( -1.373 2.063 -6.206) 6.683 8.669 ( -1.970 -3.514 -0.139) 4.031 8.669 ( -1.970 3.514 -0.139) 4.031 9.016 ( -1.542 -12.771 5.522) 13.999 9.016 ( -1.542 12.771 5.522) 13.999 9.122 ( 0.725 -14.865 0.193) 14.884 9.122 ( 0.725 14.865 0.193) 14.884 9.385 ( 2.922 -2.138 8.465) 9.207 9.385 ( 2.922 2.138 8.465) 9.207 9.608 ( -2.060 -7.545 -2.016) 8.076 9.608 ( -2.060 7.545 -2.016) 8.076 9.874 ( -0.889 -6.329 6.736) 9.285 9.874 ( -0.889 6.329 6.736) 9.285 10.043 ( -2.984 -4.214 8.895) 10.285 10.043 ( -2.984 4.214 8.895) 10.285 10.348 ( -1.128 -13.530 -0.444) 13.584 10.348 ( -1.128 13.530 -0.444) 13.584 10.624 ( -4.233 -18.900 6.848) 20.544 10.624 ( -4.233 18.900 6.848) 20.544 10.847 ( 5.110 -0.606 1.660) 5.407 10.847 ( 5.110 0.606 1.660) 5.407 11.019 ( 4.704 -7.288 -5.896) 10.488 11.019 ( 4.704 7.288 -5.896) 10.488 11.251 ( 0.619 -4.209 1.235) 4.430 11.251 ( 0.619 4.209 1.235) 4.430 11.725 ( -1.529 -2.475 -0.156) 2.914 11.725 ( -1.529 2.475 -0.156) 2.914 12.185 ( -5.406 -5.430 8.771) 11.647 12.185 ( -5.406 5.430 8.771) 11.647 12.370 ( -3.091 -0.971 4.305) 5.388 12.370 ( -3.091 0.971 4.305) 5.388 12.612 ( 2.333 -1.978 -2.372) 3.870 12.612 ( 2.333 1.978 -2.372) 3.870 12.762 ( 2.086 -3.514 -4.143) 5.819 12.762 ( 2.086 3.514 -4.143) 5.819 13.489 ( 1.568 -4.063 0.658) 4.405 13.489 ( 1.568 4.063 0.658) 4.405 13.802 ( 2.328 -5.126 -0.491) 5.651 13.802 ( 2.328 5.126 -0.491) 5.651 14.139 ( 0.332 -16.312 8.606) 18.446 14.139 ( 0.332 16.312 8.606) 18.446 14.555 ( -2.940 -14.831 -8.180) 17.191 14.555 ( -2.940 14.831 -8.180) 17.191 15.462 ( 3.647 -5.601 6.359) 9.226 15.462 ( 3.647 5.601 6.359) 9.226 15.828 ( -0.428 -12.201 -12.408) 17.407 15.828 ( -0.428 12.201 -12.408) 17.407 ======================= Grid point 155 (89/111) ======================= q-point: ( 0.11 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 3.252 -9.328 10.479) 14.402 1.524 ( 3.252 9.328 10.479) 14.402 1.815 ( 2.322 -2.706 5.364) 6.441 1.815 ( 2.322 2.706 5.364) 6.441 1.878 ( 4.063 -5.421 3.200) 7.492 1.878 ( 4.063 5.421 3.200) 7.492 2.226 ( 1.070 -2.848 -5.816) 6.564 2.226 ( 1.070 2.848 -5.816) 6.564 2.339 ( -0.274 -2.345 5.807) 6.269 2.339 ( -0.274 2.345 5.807) 6.269 2.569 ( -1.436 -1.695 1.077) 2.469 2.569 ( -1.436 1.695 1.077) 2.469 2.640 ( -3.668 -3.131 0.743) 4.879 2.640 ( -3.668 3.131 0.743) 4.879 2.770 ( 2.736 -4.703 3.166) 6.295 2.770 ( 2.736 4.703 3.166) 6.295 2.813 ( -0.248 -3.721 1.252) 3.933 2.813 ( -0.248 3.721 1.252) 3.933 2.968 ( -1.465 -2.254 -1.417) 3.039 2.968 ( -1.465 2.254 -1.417) 3.039 3.458 ( -4.449 -6.505 4.817) 9.236 3.458 ( -4.449 6.505 4.817) 9.236 3.685 ( -3.377 -1.418 0.055) 3.663 3.685 ( -3.377 1.418 0.055) 3.663 3.833 ( -0.078 -5.400 -3.072) 6.213 3.833 ( -0.078 5.400 -3.072) 6.213 4.104 ( 5.320 -2.431 2.626) 6.411 4.104 ( 5.320 2.431 2.626) 6.411 4.640 ( -5.567 -8.621 2.557) 10.576 4.640 ( -5.567 8.621 2.557) 10.576 4.888 ( -8.289 -6.168 28.553) 30.365 4.888 ( -8.289 6.168 28.553) 30.365 5.220 ( 5.635 -8.834 0.202) 10.480 5.220 ( 5.635 8.834 0.202) 10.480 5.574 ( -2.501 -4.655 -2.742) 5.953 5.574 ( -2.501 4.655 -2.742) 5.953 5.738 ( -1.253 -1.719 0.056) 2.128 5.738 ( -1.253 1.719 0.056) 2.128 5.974 ( 1.153 -3.899 -2.643) 4.849 5.974 ( 1.153 3.899 -2.643) 4.849 6.128 ( 3.939 -5.287 -2.486) 7.046 6.128 ( 3.939 5.287 -2.486) 7.046 6.562 ( -0.550 -1.108 -1.341) 1.824 6.562 ( -0.550 1.108 -1.341) 1.824 6.789 ( 2.071 -2.221 -1.044) 3.211 6.789 ( 2.071 2.221 -1.044) 3.211 7.033 ( -4.094 -4.785 1.841) 6.561 7.033 ( -4.094 4.785 1.841) 6.561 7.291 ( -2.488 -0.307 -4.384) 5.050 7.291 ( -2.488 0.307 -4.384) 5.050 7.382 ( 2.467 -2.603 0.304) 3.599 7.382 ( 2.467 2.603 0.304) 3.599 7.625 ( 1.713 -2.948 -5.990) 6.892 7.625 ( 1.713 2.948 -5.990) 6.892 7.853 ( -1.413 -6.835 -9.598) 11.867 7.853 ( -1.413 6.835 -9.598) 11.867 7.928 ( -5.194 -5.938 0.582) 7.910 7.928 ( -5.194 5.938 0.582) 7.910 8.160 ( 10.739 -7.074 -6.457) 14.390 8.160 ( 10.739 7.074 -6.457) 14.390 8.392 ( 6.369 -2.608 -1.021) 6.957 8.392 ( 6.369 2.608 -1.021) 6.957 8.636 ( 0.342 -1.877 -0.166) 1.915 8.636 ( 0.342 1.877 -0.166) 1.915 9.032 ( 0.700 -12.182 4.025) 12.849 9.032 ( 0.700 12.182 4.025) 12.849 9.171 ( 3.001 -12.101 0.179) 12.469 9.171 ( 3.001 12.101 0.179) 12.469 9.485 ( 1.271 -5.138 5.798) 7.851 9.485 ( 1.271 5.138 5.798) 7.851 9.575 ( 0.662 -7.316 -0.499) 7.362 9.575 ( 0.662 7.316 -0.499) 7.362 9.834 ( -7.005 -3.343 8.849) 11.771 9.834 ( -7.005 3.343 8.849) 11.771 10.033 ( -0.694 -3.908 -0.684) 4.028 10.033 ( -0.694 3.908 -0.684) 4.028 10.270 ( -6.186 -3.280 6.067) 9.265 10.270 ( -6.186 3.280 6.067) 9.265 10.561 ( -6.179 -7.246 4.152) 10.389 10.561 ( -6.179 7.246 4.152) 10.389 10.886 ( 0.230 -4.846 -3.651) 6.072 10.886 ( 0.230 4.846 -3.651) 6.072 11.118 ( 6.847 -9.050 -4.092) 12.064 11.118 ( 6.847 9.050 -4.092) 12.064 11.259 ( -0.523 -0.897 -0.460) 1.135 11.259 ( -0.523 0.897 -0.460) 1.135 11.679 ( -3.093 -3.035 1.713) 4.660 11.679 ( -3.093 3.035 1.713) 4.660 12.151 ( -3.272 -4.511 9.543) 11.051 12.151 ( -3.272 4.511 9.543) 11.051 12.367 ( -0.182 -1.202 5.074) 5.217 12.367 ( -0.182 1.202 5.074) 5.217 12.631 ( 0.328 -1.864 -1.404) 2.357 12.631 ( 0.328 1.864 -1.404) 2.357 12.789 ( 3.857 -5.669 -5.811) 8.988 12.789 ( 3.857 5.669 -5.811) 8.988 13.512 ( 0.958 -6.835 -0.746) 6.942 13.512 ( 0.958 6.835 -0.746) 6.942 13.834 ( 1.646 -4.495 -2.803) 5.547 13.834 ( 1.646 4.495 -2.803) 5.547 14.174 ( -1.891 -14.222 7.978) 16.417 14.174 ( -1.891 14.222 7.978) 16.417 14.456 ( -2.851 -11.768 -5.056) 13.122 14.456 ( -2.851 11.768 -5.056) 13.122 15.543 ( 1.094 -6.904 3.001) 7.607 15.543 ( 1.094 6.904 3.001) 7.607 15.741 ( -0.838 -9.343 -9.974) 13.692 15.741 ( -0.838 9.343 -9.974) 13.692 ======================= Grid point 157 (90/111) ======================= q-point: ( 0.22 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 6.005 -6.050 5.402) 10.092 1.664 ( 6.005 6.050 5.402) 10.092 1.894 ( 6.313 -1.652 0.952) 6.595 1.894 ( 6.313 1.652 0.952) 6.595 2.034 ( 6.315 -5.170 8.279) 11.626 2.034 ( 6.315 5.170 8.279) 11.626 2.223 ( 1.153 -1.801 -4.546) 5.024 2.223 ( 1.153 1.801 -4.546) 5.024 2.334 ( -2.751 -2.759 3.269) 5.086 2.334 ( -2.751 2.759 3.269) 5.086 2.493 ( -4.656 -3.932 -1.004) 6.176 2.493 ( -4.656 3.932 -1.004) 6.176 2.598 ( -2.182 -2.001 3.141) 4.316 2.598 ( -2.182 2.001 3.141) 4.316 2.784 ( -0.715 -2.949 -1.882) 3.571 2.784 ( -0.715 2.949 -1.882) 3.571 2.855 ( 0.224 -2.613 2.670) 3.742 2.855 ( 0.224 2.613 2.670) 3.742 2.909 ( -3.958 -2.149 -0.320) 4.516 2.909 ( -3.958 2.149 -0.320) 4.516 3.383 ( -4.067 -2.294 2.834) 5.462 3.383 ( -4.067 2.294 2.834) 5.462 3.688 ( 2.521 -3.482 -0.555) 4.334 3.688 ( 2.521 3.482 -0.555) 4.334 3.794 ( -2.020 -6.526 0.050) 6.832 3.794 ( -2.020 6.526 0.050) 6.832 4.204 ( 2.994 -1.948 1.690) 3.952 4.204 ( 2.994 1.948 1.690) 3.952 4.567 ( -2.888 -10.672 2.481) 11.331 4.567 ( -2.888 10.672 2.481) 11.331 4.889 ( -8.245 -5.782 27.270) 29.070 4.889 ( -8.245 5.782 27.270) 29.070 5.282 ( -0.625 -6.068 0.321) 6.109 5.282 ( -0.625 6.068 0.321) 6.109 5.495 ( -1.491 -5.722 -4.172) 7.236 5.495 ( -1.491 5.722 -4.172) 7.236 5.759 ( 3.214 -1.999 -0.439) 3.810 5.759 ( 3.214 1.999 -0.439) 3.810 5.986 ( 0.721 -5.958 -2.467) 6.489 5.986 ( 0.721 5.958 -2.467) 6.489 6.171 ( 1.793 -4.557 -1.135) 5.027 6.171 ( 1.793 4.557 -1.135) 5.027 6.587 ( 2.402 -3.183 1.097) 4.136 6.587 ( 2.402 3.183 1.097) 4.136 6.814 ( 2.059 -0.786 -2.440) 3.287 6.814 ( 2.059 0.786 -2.440) 3.287 6.936 ( -6.716 -6.085 1.846) 9.249 6.936 ( -6.716 6.085 1.846) 9.249 7.204 ( -2.822 -2.867 -3.932) 5.625 7.204 ( -2.822 2.867 -3.932) 5.625 7.448 ( 1.127 -2.102 2.442) 3.414 7.448 ( 1.127 2.102 2.442) 3.414 7.648 ( 2.872 -0.753 -3.046) 4.254 7.648 ( 2.872 0.753 -3.046) 4.254 7.773 ( 0.539 -3.081 -5.668) 6.473 7.773 ( 0.539 3.081 -5.668) 6.473 7.896 ( 2.243 -6.001 -2.460) 6.863 7.896 ( 2.243 6.001 -2.460) 6.863 8.301 ( 2.367 -5.721 -2.816) 6.802 8.301 ( 2.367 5.721 -2.816) 6.802 8.452 ( 3.908 -3.488 3.096) 6.084 8.452 ( 3.908 3.488 3.096) 6.084 8.699 ( 5.298 -2.571 -2.852) 6.543 8.699 ( 5.298 2.571 -2.852) 6.543 9.068 ( 0.361 -7.056 -0.063) 7.065 9.068 ( 0.361 7.056 -0.063) 7.065 9.187 ( -1.913 -6.314 -0.057) 6.598 9.187 ( -1.913 6.314 -0.057) 6.598 9.504 ( 0.873 -8.097 2.534) 8.529 9.504 ( 0.873 8.097 2.534) 8.529 9.596 ( -2.165 -2.208 3.083) 4.367 9.596 ( -2.165 2.208 3.083) 4.367 9.783 ( -0.830 -1.862 6.135) 6.464 9.783 ( -0.830 1.862 6.135) 6.464 10.027 ( 1.786 -3.526 -3.657) 5.385 10.027 ( 1.786 3.526 -3.657) 5.385 10.214 ( -3.678 -5.664 8.352) 10.741 10.214 ( -3.678 5.664 8.352) 10.741 10.448 ( -6.664 -6.179 0.771) 9.121 10.448 ( -6.664 6.179 0.771) 9.121 10.829 ( -3.631 -5.667 -4.489) 8.091 10.829 ( -3.631 5.667 -4.489) 8.091 11.185 ( 0.490 -8.724 -4.286) 9.732 11.185 ( 0.490 8.724 -4.286) 9.732 11.220 ( -0.669 -1.076 -2.313) 2.638 11.220 ( -0.669 1.076 -2.313) 2.638 11.644 ( -1.948 -5.600 2.832) 6.570 11.644 ( -1.948 5.600 2.832) 6.570 12.171 ( -0.428 -4.161 9.831) 10.684 12.171 ( -0.428 4.161 9.831) 10.684 12.409 ( 1.165 -2.741 5.153) 5.952 12.409 ( 1.165 2.741 5.153) 5.952 12.607 ( -2.037 -1.896 0.065) 2.784 12.607 ( -2.037 1.896 0.065) 2.784 12.839 ( 5.081 -4.637 -7.802) 10.402 12.839 ( 5.081 4.637 -7.802) 10.402 13.520 ( 0.099 -10.048 -0.274) 10.052 13.520 ( 0.099 10.048 -0.274) 10.052 13.826 ( 0.172 -5.286 -5.967) 7.974 13.826 ( 0.172 5.286 -5.967) 7.974 14.157 ( -3.356 -10.604 4.818) 12.121 14.157 ( -3.356 10.604 4.818) 12.121 14.397 ( -1.756 -7.563 -0.917) 7.818 14.397 ( -1.756 7.563 -0.917) 7.818 15.522 ( -2.073 -8.532 -3.252) 9.363 15.522 ( -2.073 8.532 -3.252) 9.363 15.714 ( 1.359 -5.076 -3.855) 6.517 15.714 ( 1.359 5.076 -3.855) 6.517 ======================= Grid point 159 (91/111) ======================= q-point: ( 0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 6.650 -2.949 0.884) 7.328 1.803 ( 6.650 2.949 0.884) 7.328 2.052 ( 7.045 -1.559 3.517) 8.027 2.052 ( 7.045 1.559 3.517) 8.027 2.160 ( -0.214 -2.348 -1.215) 2.653 2.160 ( -0.214 2.348 -1.215) 2.653 2.199 ( 0.636 -0.383 5.352) 5.403 2.199 ( 0.636 0.383 5.352) 5.403 2.283 ( -2.312 -2.743 -2.488) 4.366 2.283 ( -2.312 2.743 -2.488) 4.366 2.460 ( -0.101 -0.831 3.569) 3.666 2.460 ( -0.101 0.831 3.569) 3.666 2.567 ( -2.587 -1.202 3.408) 4.445 2.567 ( -2.587 1.202 3.408) 4.445 2.753 ( -1.187 -3.727 -0.755) 3.984 2.753 ( -1.187 3.727 -0.755) 3.984 2.804 ( -4.822 -2.102 0.646) 5.300 2.804 ( -4.822 2.102 0.646) 5.300 2.837 ( -2.764 -1.227 -2.657) 4.025 2.837 ( -2.764 1.227 -2.657) 4.025 3.340 ( -2.562 -4.065 2.818) 5.571 3.340 ( -2.562 4.065 2.818) 5.571 3.698 ( -2.197 -4.804 1.175) 5.411 3.698 ( -2.197 4.804 1.175) 5.411 3.817 ( 4.185 -5.572 -0.241) 6.973 3.817 ( 4.185 5.572 -0.241) 6.973 4.256 ( 2.205 -4.778 1.014) 5.359 4.256 ( 2.205 4.778 1.014) 5.359 4.538 ( -2.055 -9.628 1.677) 9.987 4.538 ( -2.055 9.628 1.677) 9.987 4.885 ( -7.904 -5.829 26.277) 28.052 4.885 ( -7.904 5.829 26.277) 28.052 5.207 ( -5.688 -2.432 -0.524) 6.208 5.207 ( -5.688 2.432 -0.524) 6.208 5.485 ( 2.183 -4.478 -6.073) 7.855 5.485 ( 2.183 4.478 -6.073) 7.855 5.834 ( 3.687 -1.854 0.456) 4.152 5.834 ( 3.687 1.854 0.456) 4.152 5.973 ( -0.897 -9.010 1.108) 9.122 5.973 ( -0.897 9.010 1.108) 9.122 6.188 ( 0.557 -4.600 -0.562) 4.668 6.188 ( 0.557 4.600 -0.562) 4.668 6.620 ( 0.527 -4.350 -0.077) 4.382 6.620 ( 0.527 4.350 -0.077) 4.382 6.800 ( -4.692 -6.285 0.639) 7.869 6.800 ( -4.692 6.285 0.639) 7.869 6.901 ( 5.918 -2.654 -2.821) 7.073 6.901 ( 5.918 2.654 -2.821) 7.073 7.164 ( -0.071 -3.062 -0.737) 3.150 7.164 ( -0.071 3.062 -0.737) 3.150 7.418 ( -3.712 -3.251 0.813) 5.001 7.418 ( -3.712 3.251 0.813) 5.001 7.693 ( 2.945 -1.671 -2.562) 4.246 7.693 ( 2.945 1.671 -2.562) 4.246 7.826 ( 4.150 -5.153 -1.198) 6.724 7.826 ( 4.150 5.153 -1.198) 6.724 7.940 ( 4.155 -3.041 -3.992) 6.515 7.940 ( 4.155 3.041 -3.992) 6.515 8.266 ( -2.206 -3.007 1.829) 4.154 8.266 ( -2.206 3.007 1.829) 4.154 8.589 ( 6.900 -7.712 2.212) 10.582 8.589 ( 6.900 7.712 2.212) 10.582 8.768 ( 2.415 -1.403 0.409) 2.823 8.768 ( 2.415 1.403 0.409) 2.823 9.021 ( -3.660 -2.179 -2.052) 4.728 9.021 ( -3.660 2.179 -2.052) 4.728 9.125 ( -3.607 -5.844 1.287) 6.987 9.125 ( -3.607 5.844 1.287) 6.987 9.516 ( -5.041 -11.700 2.150) 12.920 9.516 ( -5.041 11.700 2.150) 12.920 9.573 ( 2.198 -4.324 2.924) 5.664 9.573 ( 2.198 4.324 2.924) 5.664 9.862 ( 4.171 -2.924 2.073) 5.500 9.862 ( 4.171 2.924 2.073) 5.500 10.021 ( -0.248 -4.849 -2.621) 5.518 10.021 ( -0.248 4.849 -2.621) 5.518 10.242 ( 0.650 -4.056 7.395) 8.459 10.242 ( 0.650 4.056 7.395) 8.459 10.335 ( -3.048 -7.088 -5.247) 9.331 10.335 ( -3.048 7.088 -5.247) 9.331 10.696 ( -7.944 -4.696 -2.476) 9.554 10.696 ( -7.944 4.696 -2.476) 9.554 11.095 ( -4.180 -5.642 -5.669) 9.024 11.095 ( -4.180 5.642 -5.669) 9.024 11.234 ( 0.873 -4.700 0.692) 4.830 11.234 ( 0.873 4.700 0.692) 4.830 11.624 ( -1.329 -5.058 0.228) 5.235 11.624 ( -1.329 5.058 0.228) 5.235 12.242 ( 2.023 -3.265 9.285) 10.048 12.242 ( 2.023 3.265 9.285) 10.048 12.446 ( -1.301 -4.022 5.567) 6.990 12.446 ( -1.301 4.022 5.567) 6.990 12.581 ( 0.102 -0.953 0.657) 1.162 12.581 ( 0.102 0.953 0.657) 1.162 12.880 ( 4.035 -2.112 -9.380) 10.427 12.880 ( 4.035 2.112 -9.380) 10.427 13.505 ( -2.622 -10.096 2.759) 10.790 13.505 ( -2.622 10.096 2.759) 10.790 13.789 ( 1.098 -6.229 -9.093) 11.076 13.789 ( 1.098 6.229 -9.093) 11.076 14.117 ( -2.837 -8.620 2.795) 9.496 14.117 ( -2.837 8.620 2.795) 9.496 14.367 ( -1.516 -6.323 0.466) 6.519 14.367 ( -1.516 6.323 0.466) 6.519 15.473 ( -0.563 -7.318 -3.334) 8.062 15.473 ( -0.563 7.318 -3.334) 8.062 15.715 ( 0.611 -3.525 -3.333) 4.890 15.715 ( 0.611 3.525 -3.333) 4.890 ======================= Grid point 161 (92/111) ======================= q-point: (-0.56 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 3.307 -0.982 -0.328) 3.465 1.911 ( 3.307 0.982 -0.328) 3.465 2.040 ( -6.343 -5.989 1.510) 8.853 2.040 ( -6.343 5.989 1.510) 8.853 2.141 ( -1.939 -3.127 0.113) 3.681 2.141 ( -1.939 3.127 0.113) 3.681 2.261 ( 3.777 -2.516 2.199) 5.043 2.261 ( 3.777 2.516 2.199) 5.043 2.312 ( 2.625 -1.226 4.381) 5.252 2.312 ( 2.625 1.226 4.381) 5.252 2.434 ( -4.166 -2.066 2.874) 5.466 2.434 ( -4.166 2.066 2.874) 5.466 2.554 ( -1.299 -1.229 2.396) 2.990 2.554 ( -1.299 1.229 2.396) 2.990 2.701 ( -4.397 -3.977 -0.665) 5.966 2.701 ( -4.397 3.977 -0.665) 5.966 2.764 ( 1.018 -2.118 -0.860) 2.502 2.764 ( 1.018 2.118 -0.860) 2.502 2.811 ( 2.426 -1.031 -2.033) 3.329 2.811 ( 2.426 1.031 -2.033) 3.329 3.328 ( 0.101 -0.555 3.543) 3.587 3.328 ( 0.101 0.555 3.543) 3.587 3.643 ( -3.177 -3.263 -0.895) 4.641 3.643 ( -3.177 3.263 -0.895) 4.641 3.894 ( 2.812 -5.443 2.299) 6.544 3.894 ( 2.812 5.443 2.299) 6.544 4.242 ( -6.139 -2.393 0.539) 6.611 4.242 ( -6.139 2.393 0.539) 6.611 4.556 ( 4.455 -7.097 1.488) 8.510 4.556 ( 4.455 7.097 1.488) 8.510 4.881 ( -8.578 -5.898 26.760) 28.713 4.881 ( -8.578 5.898 26.760) 28.713 5.097 ( -4.137 -2.086 -2.805) 5.416 5.097 ( -4.137 2.086 -2.805) 5.416 5.487 ( 2.031 -3.683 -6.919) 8.097 5.487 ( 2.031 3.683 -6.919) 8.097 5.871 ( -0.825 -0.938 3.495) 3.711 5.871 ( -0.825 0.938 3.495) 3.712 5.975 ( -1.804 -11.012 4.962) 12.213 5.975 ( -1.804 11.012 4.962) 12.213 6.195 ( 1.388 -5.200 -2.433) 5.907 6.195 ( 1.388 5.200 -2.433) 5.907 6.634 ( 1.831 -2.798 -2.095) 3.946 6.634 ( 1.831 2.798 -2.095) 3.946 6.740 ( -1.671 -4.699 1.893) 5.334 6.740 ( -1.671 4.699 1.893) 5.334 6.999 ( 4.082 -1.949 -2.103) 4.989 6.999 ( 4.082 1.949 -2.103) 4.989 7.190 ( 3.644 -2.731 -2.938) 5.420 7.190 ( 3.644 2.731 -2.938) 5.420 7.364 ( -0.739 -4.372 -1.867) 4.811 7.364 ( -0.739 4.372 -1.867) 4.811 7.693 ( -0.814 -1.956 -3.488) 4.081 7.693 ( -0.814 1.956 -3.488) 4.081 7.875 ( 1.286 -4.458 1.304) 4.819 7.875 ( 1.286 4.458 1.304) 4.819 8.009 ( 5.273 -2.577 -5.195) 7.838 8.009 ( 5.273 2.577 -5.195) 7.838 8.284 ( 2.337 -4.413 2.384) 5.533 8.284 ( 2.337 4.413 2.384) 5.533 8.713 ( 3.594 -5.974 2.903) 7.552 8.713 ( 3.594 5.974 2.903) 7.552 8.798 ( 0.137 -6.833 3.354) 7.613 8.798 ( 0.137 6.833 3.354) 7.613 8.941 ( -2.747 -0.847 -1.620) 3.300 8.941 ( -2.747 0.847 -1.620) 3.300 9.104 ( 0.309 -1.345 2.932) 3.240 9.104 ( 0.309 1.345 2.932) 3.240 9.427 ( -3.937 -12.286 1.981) 13.052 9.427 ( -3.937 12.286 1.981) 13.052 9.647 ( 3.665 -8.361 1.807) 9.306 9.647 ( 3.665 8.361 1.807) 9.306 9.832 ( -5.198 -6.069 -2.473) 8.365 9.832 ( -5.198 6.069 -2.473) 8.365 10.065 ( 1.166 -4.067 3.147) 5.273 10.065 ( 1.166 4.067 3.147) 5.273 10.199 ( -5.489 -5.349 -1.855) 7.885 10.199 ( -5.489 5.349 -1.855) 7.885 10.328 ( 2.365 -7.594 -4.932) 9.359 10.328 ( 2.365 7.594 -4.932) 9.359 10.549 ( -5.394 -0.928 4.393) 7.018 10.549 ( -5.394 0.928 4.393) 7.018 10.987 ( -2.922 -3.908 -6.841) 8.403 10.987 ( -2.922 3.908 -6.841) 8.403 11.265 ( 1.314 -8.057 3.298) 8.805 11.265 ( 1.314 8.057 3.298) 8.805 11.596 ( -0.759 -4.678 -2.467) 5.343 11.596 ( -0.759 4.678 -2.467) 5.343 12.327 ( -0.505 -5.803 10.426) 11.943 12.327 ( -0.505 5.803 10.426) 11.943 12.437 ( -0.325 -1.995 2.899) 3.534 12.437 ( -0.325 1.995 2.899) 3.534 12.620 ( 2.589 -2.153 1.373) 3.636 12.620 ( 2.589 2.153 1.373) 3.636 12.882 ( 1.967 -1.785 -10.529) 10.859 12.882 ( 1.967 1.785 -10.529) 10.859 13.449 ( -5.401 -5.043 5.630) 9.290 13.449 ( -5.401 5.043 5.630) 9.290 13.776 ( 3.082 -4.624 -10.524) 11.901 13.776 ( 3.082 4.624 -10.524) 11.901 14.082 ( -2.683 -9.061 3.366) 10.032 14.082 ( -2.683 9.061 3.366) 10.032 14.350 ( 0.248 -7.540 -0.496) 7.560 14.350 ( 0.248 7.540 -0.496) 7.560 15.464 ( 0.929 -5.154 -2.127) 5.653 15.464 ( 0.929 5.154 -2.127) 5.653 15.700 ( 0.278 -1.859 -4.059) 4.473 15.700 ( 0.278 1.859 -4.059) 4.473 ======================= Grid point 163 (93/111) ======================= q-point: (-0.44 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -9.970 -6.772 2.662) 12.343 1.835 ( -9.970 6.772 2.662) 12.343 1.996 ( -2.602 -0.809 4.489) 5.252 1.996 ( -2.602 0.809 4.489) 5.252 2.108 ( -0.609 -2.943 0.845) 3.122 2.108 ( -0.609 2.943 0.845) 3.122 2.290 ( -3.003 -2.206 0.044) 3.726 2.290 ( -3.003 2.206 0.044) 3.726 2.350 ( 1.179 -3.192 1.666) 3.789 2.350 ( 1.179 3.192 1.666) 3.789 2.412 ( -1.239 -0.419 5.858) 6.002 2.412 ( -1.239 0.419 5.858) 6.002 2.563 ( 0.363 -2.124 4.222) 4.740 2.563 ( 0.363 2.124 4.222) 4.740 2.640 ( 0.458 -4.458 -1.718) 4.800 2.640 ( 0.458 4.459 -1.718) 4.800 2.794 ( 2.211 -3.585 -3.169) 5.271 2.794 ( 2.211 3.585 -3.169) 5.271 2.845 ( 1.534 -1.693 -1.430) 2.695 2.845 ( 1.534 1.693 -1.430) 2.695 3.374 ( 0.985 -2.616 3.314) 4.336 3.374 ( 0.985 2.616 3.314) 4.336 3.608 ( 1.983 -1.535 -2.559) 3.583 3.608 ( 1.983 1.535 -2.559) 3.583 3.917 ( -4.776 -3.328 2.938) 6.521 3.917 ( -4.776 3.328 2.938) 6.521 4.098 ( -5.539 -7.099 4.232) 9.949 4.098 ( -5.539 7.099 4.232) 9.949 4.666 ( 4.315 -5.694 1.057) 7.222 4.666 ( 4.315 5.694 1.057) 7.222 4.859 ( -8.282 -5.777 24.332) 26.344 4.859 ( -8.282 5.777 24.332) 26.344 5.041 ( -1.303 -1.348 1.267) 2.263 5.041 ( -1.303 1.348 1.267) 2.263 5.494 ( 2.977 -5.902 -6.827) 9.503 5.494 ( 2.977 5.902 -6.827) 9.503 5.861 ( -1.880 -1.868 3.042) 4.034 5.861 ( -1.880 1.868 3.042) 4.034 5.930 ( -5.293 -8.242 4.188) 10.653 5.930 ( -5.293 8.242 4.188) 10.653 6.212 ( 1.643 -8.116 -2.571) 8.671 6.212 ( 1.643 8.116 -2.571) 8.671 6.651 ( 0.861 -0.676 -1.260) 1.670 6.651 ( 0.861 0.676 -1.260) 1.670 6.764 ( 2.922 -2.245 -1.289) 3.904 6.764 ( 2.922 2.245 -1.289) 3.904 7.039 ( 1.518 -1.687 1.644) 2.802 7.039 ( 1.518 1.687 1.644) 2.802 7.209 ( -0.511 -5.851 -2.482) 6.376 7.209 ( -0.511 5.851 -2.482) 6.376 7.417 ( 8.691 -4.199 -7.907) 12.478 7.417 ( 8.691 4.199 -7.907) 12.478 7.650 ( -1.846 -0.159 -2.400) 3.032 7.650 ( -1.846 0.159 -2.400) 3.032 7.889 ( -0.227 -5.766 -0.112) 5.771 7.889 ( -0.227 5.766 -0.112) 5.771 8.062 ( 3.211 -2.331 -6.035) 7.223 8.062 ( 3.211 2.331 -6.035) 7.223 8.346 ( 2.955 -4.332 -0.870) 5.316 8.346 ( 2.955 4.332 -0.870) 5.316 8.723 ( -3.695 -4.028 4.593) 7.139 8.723 ( -3.695 4.028 4.593) 7.139 8.819 ( 0.076 -1.142 0.801) 1.397 8.819 ( 0.076 1.142 0.801) 1.397 8.923 ( 1.008 -1.222 -3.058) 3.444 8.923 ( 1.008 1.222 -3.058) 3.444 9.152 ( 2.304 -2.668 5.352) 6.409 9.152 ( 2.304 2.668 5.352) 6.409 9.421 ( 0.473 -12.548 6.411) 14.099 9.421 ( 0.473 12.548 6.411) 14.099 9.687 ( -0.877 -14.601 -5.299) 15.558 9.687 ( -0.877 14.601 -5.299) 15.558 9.766 ( 1.160 -8.001 3.115) 8.664 9.766 ( 1.160 8.001 3.115) 8.664 9.968 ( -10.554 -8.738 0.428) 13.708 9.968 ( -10.554 8.738 0.428) 13.708 10.102 ( -3.857 -2.653 0.507) 4.709 10.102 ( -3.857 2.653 0.507) 4.709 10.302 ( -2.236 -5.484 -0.139) 5.923 10.302 ( -2.236 5.484 -0.139) 5.923 10.590 ( 4.414 -4.492 6.649) 9.158 10.590 ( 4.414 4.492 6.649) 9.158 10.922 ( 0.062 -0.168 -6.674) 6.677 10.922 ( 0.062 0.168 -6.674) 6.677 11.315 ( 1.863 -7.163 2.177) 7.715 11.315 ( 1.863 7.163 2.177) 7.715 11.576 ( 0.415 -3.511 -2.399) 4.272 11.576 ( 0.415 3.511 -2.399) 4.272 12.319 ( -4.891 -6.812 10.192) 13.199 12.319 ( -4.891 6.812 10.192) 13.199 12.489 ( 2.915 -2.271 1.335) 3.929 12.489 ( 2.915 2.271 1.335) 3.929 12.675 ( 1.956 -0.626 1.385) 2.477 12.675 ( 1.956 0.626 1.385) 2.477 12.840 ( 0.387 -4.392 -11.099) 11.943 12.840 ( 0.387 4.392 -11.099) 11.943 13.381 ( -5.128 -1.235 7.369) 9.062 13.381 ( -5.128 1.235 7.369) 9.062 13.773 ( 2.426 -4.695 -9.800) 11.134 13.773 ( 2.426 4.695 -9.800) 11.134 14.049 ( -3.108 -10.139 4.419) 11.488 14.049 ( -3.108 10.139 4.419) 11.488 14.387 ( 4.214 -11.820 -1.248) 12.610 14.387 ( 4.214 11.820 -1.248) 12.610 15.464 ( -0.316 -0.937 -2.271) 2.477 15.464 ( -0.316 0.937 -2.271) 2.477 15.698 ( 2.388 -3.355 -3.934) 5.695 15.698 ( 2.388 3.355 -3.934) 5.695 ======================= Grid point 165 (94/111) ======================= q-point: (-0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -11.683 -6.690 6.584) 14.986 1.646 ( -11.683 6.690 6.584) 14.986 1.914 ( -9.205 -5.755 8.307) 13.670 1.914 ( -9.205 5.755 8.307) 13.670 2.137 ( 0.729 -1.729 3.203) 3.712 2.137 ( 0.729 1.729 3.203) 3.712 2.224 ( -1.922 -0.548 -2.997) 3.602 2.224 ( -1.922 0.548 -2.997) 3.602 2.343 ( -1.423 -1.639 -0.416) 2.210 2.343 ( -1.423 1.639 -0.416) 2.210 2.450 ( 1.932 -0.404 5.492) 5.836 2.450 ( 1.932 0.404 5.492) 5.836 2.595 ( 0.751 -1.188 3.152) 3.452 2.595 ( 0.751 1.188 3.152) 3.452 2.690 ( 2.180 -5.508 2.481) 6.423 2.690 ( 2.180 5.508 2.481) 6.423 2.783 ( -0.808 -2.184 -1.312) 2.673 2.783 ( -0.808 2.184 -1.312) 2.673 2.884 ( 4.030 -2.044 -4.075) 6.085 2.884 ( 4.030 2.044 -4.075) 6.085 3.373 ( -1.405 -0.601 1.886) 2.427 3.373 ( -1.405 0.601 1.886) 2.427 3.643 ( -4.414 -6.436 2.279) 8.130 3.643 ( -4.414 6.436 2.279) 8.130 3.801 ( 0.594 -2.693 -0.697) 2.845 3.801 ( 0.594 2.693 -0.697) 2.845 4.123 ( 1.828 -12.153 6.133) 13.736 4.123 ( 1.828 12.153 6.133) 13.736 4.702 ( -1.697 -5.049 4.375) 6.892 4.702 ( -1.697 5.049 4.375) 6.892 4.863 ( -4.181 -4.315 19.048) 19.973 4.863 ( -4.181 4.315 19.048) 19.973 5.037 ( -2.008 -1.279 6.087) 6.536 5.037 ( -2.008 1.279 6.087) 6.536 5.525 ( 3.709 -7.514 -5.411) 9.975 5.525 ( 3.709 7.514 -5.411) 9.975 5.809 ( -5.839 -6.757 2.724) 9.337 5.809 ( -5.839 6.757 2.724) 9.337 5.883 ( 1.365 -1.356 -2.352) 3.039 5.883 ( 1.365 1.356 -2.352) 3.039 6.220 ( 0.244 -10.364 -1.641) 10.496 6.220 ( 0.244 10.364 -1.641) 10.496 6.658 ( 0.603 -4.482 -1.366) 4.724 6.658 ( 0.603 4.482 -1.366) 4.724 6.795 ( 1.283 -1.649 -2.178) 3.018 6.795 ( 1.283 1.649 -2.178) 3.018 7.102 ( 3.566 -2.920 1.784) 4.942 7.102 ( 3.566 2.920 1.784) 4.942 7.187 ( -0.054 -7.681 -0.355) 7.690 7.187 ( -0.054 7.681 -0.355) 7.690 7.532 ( 6.832 -4.830 -11.390) 14.132 7.532 ( 6.832 4.830 -11.390) 14.132 7.599 ( -1.643 -1.985 1.102) 2.802 7.599 ( -1.643 1.985 1.102) 2.802 7.860 ( -2.231 -5.803 -3.544) 7.156 7.860 ( -2.231 5.803 -3.544) 7.156 8.058 ( 0.474 -5.585 -7.116) 9.058 8.058 ( 0.474 5.585 -7.116) 9.058 8.371 ( 1.160 -2.374 -4.663) 5.360 8.371 ( 1.160 2.374 -4.663) 5.360 8.669 ( -4.725 -3.765 4.622) 7.607 8.669 ( -4.725 3.765 4.622) 7.607 8.764 ( -4.218 -8.551 -4.427) 10.513 8.764 ( -4.218 8.551 -4.427) 10.513 8.954 ( 3.639 -0.245 0.064) 3.648 8.954 ( 3.639 0.245 0.064) 3.648 9.194 ( -2.313 -5.843 1.541) 6.470 9.194 ( -2.313 5.843 1.541) 6.470 9.497 ( 2.671 -6.849 8.799) 11.466 9.497 ( 2.671 6.849 8.799) 11.466 9.641 ( -2.533 -20.183 -1.701) 20.413 9.641 ( -2.533 20.183 -1.701) 20.413 9.760 ( -4.495 -0.715 4.432) 6.353 9.760 ( -4.495 0.715 4.432) 6.353 9.849 ( -1.790 -10.203 6.245) 12.096 9.849 ( -1.790 10.203 6.245) 12.096 10.064 ( 2.046 -5.805 -3.697) 7.180 10.064 ( 2.046 5.805 -3.697) 7.180 10.304 ( 1.578 -3.745 6.391) 7.574 10.304 ( 1.578 3.745 6.391) 7.574 10.720 ( 3.414 -6.432 8.612) 11.278 10.720 ( 3.414 6.432 8.612) 11.278 10.906 ( 2.506 -2.362 -7.429) 8.188 10.906 ( 2.506 2.362 -7.429) 8.188 11.335 ( -0.351 -2.406 -1.770) 3.007 11.335 ( -0.351 2.406 -1.770) 3.007 11.599 ( 2.666 -5.571 0.654) 6.211 11.599 ( 2.666 5.571 0.654) 6.211 12.288 ( -3.982 -4.393 9.439) 11.146 12.288 ( -3.982 4.393 9.439) 11.146 12.530 ( 0.596 -2.427 0.624) 2.576 12.530 ( 0.596 2.427 0.624) 2.576 12.683 ( -2.281 -0.792 0.131) 2.418 12.683 ( -2.281 0.792 0.131) 2.418 12.790 ( 1.032 -5.597 -9.754) 11.293 12.790 ( 1.032 5.597 -9.754) 11.293 13.351 ( -2.377 -2.247 8.169) 8.799 13.351 ( -2.377 2.247 8.169) 8.799 13.759 ( 1.313 -6.401 -7.229) 9.744 13.759 ( 1.313 6.401 -7.229) 9.744 14.023 ( -2.093 -10.558 5.103) 11.912 14.023 ( -2.093 10.558 5.103) 11.912 14.488 ( 6.905 -15.034 -2.272) 16.699 14.488 ( 6.905 15.034 -2.272) 16.699 15.419 ( -2.826 -3.140 -1.898) 4.631 15.419 ( -2.826 3.140 -1.898) 4.631 15.752 ( 5.396 -8.516 -4.588) 11.077 15.752 ( 5.396 8.516 -4.588) 11.077 ======================= Grid point 167 (95/111) ======================= q-point: (-0.22 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -8.942 -6.343 9.992) 14.834 1.491 ( -8.942 6.343 9.992) 14.834 1.775 ( -9.777 -8.277 9.409) 15.894 1.775 ( -9.777 8.277 9.409) 15.894 2.083 ( -5.444 -5.026 0.433) 7.422 2.083 ( -5.444 5.026 0.433) 7.422 2.225 ( -0.674 -1.176 3.051) 3.339 2.225 ( -0.674 1.176 3.051) 3.339 2.337 ( 1.305 -2.799 -1.147) 3.294 2.337 ( 1.305 2.799 -1.147) 3.294 2.523 ( 2.368 -0.762 4.033) 4.739 2.523 ( 2.368 0.762 4.033) 4.739 2.616 ( -0.432 -4.878 3.482) 6.009 2.616 ( -0.432 4.878 3.482) 6.009 2.700 ( -0.239 -5.403 -3.583) 6.488 2.700 ( -0.239 5.403 -3.583) 6.488 2.790 ( 0.085 -1.177 4.780) 4.923 2.790 ( 0.085 1.177 4.780) 4.923 2.942 ( 3.560 -1.470 -1.774) 4.240 2.942 ( 3.560 1.470 -1.774) 4.240 3.384 ( 0.906 -2.747 3.550) 4.579 3.384 ( 0.906 2.747 3.550) 4.579 3.534 ( -3.712 -1.429 3.127) 5.060 3.534 ( -3.712 1.429 3.127) 5.060 3.890 ( 5.252 -1.762 -3.029) 6.314 3.890 ( 5.252 1.762 -3.029) 6.314 4.178 ( 0.206 -8.629 3.808) 9.434 4.178 ( 0.206 8.629 3.808) 9.434 4.682 ( -3.117 -5.346 7.641) 9.832 4.682 ( -3.117 5.346 7.641) 9.832 4.896 ( -3.792 -2.046 16.925) 17.465 4.896 ( -3.792 2.046 16.925) 17.465 5.020 ( -3.443 -2.100 7.720) 8.710 5.020 ( -3.443 2.100 7.720) 8.710 5.560 ( 2.247 -4.827 -4.329) 6.862 5.560 ( 2.247 4.827 -4.329) 6.862 5.740 ( -1.366 -2.157 1.921) 3.195 5.740 ( -1.366 2.157 1.921) 3.195 5.918 ( 4.134 -1.755 -6.380) 7.802 5.918 ( 4.134 1.755 -6.380) 7.802 6.198 ( -2.009 -9.346 -0.947) 9.606 6.198 ( -2.009 9.346 -0.947) 9.606 6.660 ( 0.642 -6.091 -1.159) 6.233 6.660 ( 0.642 6.091 -1.159) 6.233 6.792 ( -0.641 -3.704 -1.515) 4.053 6.792 ( -0.641 3.704 -1.515) 4.053 7.141 ( 0.742 -3.170 -2.878) 4.346 7.141 ( 0.742 3.170 -2.878) 4.346 7.229 ( 2.896 -3.018 2.016) 4.644 7.229 ( 2.896 3.018 2.016) 4.644 7.523 ( 0.321 -1.754 -1.043) 2.065 7.523 ( 0.321 1.754 -1.043) 2.065 7.640 ( 3.533 -4.027 -4.622) 7.076 7.640 ( 3.533 4.027 -4.622) 7.076 7.760 ( -3.940 -4.304 -6.690) 8.877 7.760 ( -3.940 4.304 -6.690) 8.877 8.006 ( -1.434 -7.379 -8.118) 11.064 8.006 ( -1.434 7.379 -8.118) 11.064 8.325 ( -3.343 -2.080 -5.620) 6.862 8.325 ( -3.343 2.080 -5.620) 6.862 8.573 ( -7.101 -4.717 1.203) 8.610 8.573 ( -7.101 4.717 1.203) 8.610 8.679 ( -0.649 -9.486 -5.255) 10.864 8.679 ( -0.649 9.486 -5.255) 10.864 9.029 ( 2.705 -3.640 0.781) 4.602 9.029 ( 2.705 3.640 0.781) 4.602 9.128 ( -3.504 -2.998 3.640) 5.875 9.128 ( -3.504 2.998 3.640) 5.875 9.451 ( -8.534 -9.624 1.118) 12.911 9.451 ( -8.534 9.624 1.118) 12.911 9.653 ( 1.100 -2.136 7.008) 7.408 9.653 ( 1.100 2.136 7.008) 7.408 9.763 ( -0.363 -8.229 3.451) 8.931 9.763 ( -0.363 8.229 3.451) 8.931 9.917 ( 5.007 -5.875 10.030) 12.657 9.917 ( 5.007 5.875 10.030) 12.657 10.118 ( 4.797 -8.924 -2.042) 10.336 10.118 ( 4.797 8.924 -2.042) 10.336 10.444 ( 7.780 -4.939 8.681) 12.660 10.444 ( 7.780 4.939 8.681) 12.660 10.772 ( -2.755 -11.074 6.460) 13.113 10.772 ( -2.755 11.074 6.460) 13.113 10.949 ( 5.782 -2.862 -6.532) 9.181 10.949 ( 5.782 2.862 -6.532) 9.181 11.289 ( -2.678 -5.294 -2.136) 6.305 11.289 ( -2.678 5.294 -2.136) 6.305 11.669 ( 3.423 -8.387 1.237) 9.143 11.669 ( 3.423 8.387 1.237) 9.143 12.271 ( -3.713 -0.471 9.510) 10.220 12.271 ( -3.713 0.471 9.510) 10.220 12.515 ( -2.635 -0.858 0.110) 2.773 12.515 ( -2.635 0.858 0.110) 2.773 12.616 ( -2.841 -0.767 -1.635) 3.367 12.616 ( -2.841 0.767 -1.635) 3.367 12.763 ( 0.667 -2.996 -6.038) 6.773 12.763 ( 0.667 2.996 -6.038) 6.773 13.382 ( 0.932 -2.585 6.512) 7.068 13.382 ( 0.932 2.585 6.512) 7.068 13.749 ( 1.084 -7.514 -3.600) 8.402 13.749 ( 1.084 7.514 -3.600) 8.402 14.032 ( -0.296 -12.645 6.265) 14.115 14.032 ( -0.296 12.645 6.265) 14.115 14.598 ( 6.112 -16.539 -5.371) 18.432 14.598 ( 6.112 16.539 -5.371) 18.432 15.359 ( -2.475 -4.677 1.586) 5.525 15.359 ( -2.475 4.677 1.586) 5.525 15.830 ( 5.838 -11.526 -7.495) 14.937 15.830 ( 5.838 11.526 -7.495) 14.937 ======================= Grid point 169 (96/111) ======================= q-point: (-0.11 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -4.150 -3.442 10.877) 12.140 1.427 ( -4.150 3.442 10.877) 12.140 1.675 ( -6.144 -5.819 11.894) 14.598 1.675 ( -6.144 5.819 11.894) 14.598 1.982 ( -4.317 -6.124 -2.611) 7.935 1.982 ( -4.317 6.124 -2.611) 7.935 2.219 ( -2.303 -1.130 8.298) 8.685 2.219 ( -2.303 1.130 8.298) 8.685 2.340 ( -0.694 -1.862 -1.803) 2.683 2.340 ( -0.694 1.862 -1.803) 2.683 2.565 ( 0.051 -1.403 1.907) 2.368 2.565 ( 0.051 1.403 1.907) 2.368 2.614 ( -1.006 -4.096 2.559) 4.933 2.614 ( -1.006 4.096 2.559) 4.933 2.705 ( 2.992 -3.137 -1.728) 4.667 2.705 ( 2.992 3.137 -1.728) 4.667 2.824 ( 0.041 -3.013 5.166) 5.981 2.824 ( 0.041 3.013 5.166) 5.981 2.983 ( 1.384 -2.798 -1.542) 3.481 2.983 ( 1.384 2.798 -1.542) 3.481 3.418 ( 0.169 -2.929 5.734) 6.441 3.418 ( 0.169 2.929 5.734) 6.441 3.592 ( 6.726 -2.941 2.386) 7.719 3.592 ( 6.726 2.941 2.386) 7.719 3.920 ( 0.237 -3.304 -5.008) 6.004 3.920 ( 0.237 3.304 -5.008) 6.004 4.147 ( -4.994 -2.136 1.000) 5.523 4.147 ( -4.994 2.136 1.000) 5.523 4.690 ( -0.025 -3.126 5.226) 6.090 4.690 ( -0.025 3.126 5.226) 6.090 4.888 ( -9.133 -5.859 26.668) 28.791 4.888 ( -9.133 5.859 26.668) 28.791 5.035 ( 1.910 -3.690 3.225) 5.260 5.035 ( 1.910 3.690 3.225) 5.260 5.566 ( 1.626 -1.573 -4.139) 4.717 5.566 ( 1.626 1.573 -4.139) 4.717 5.766 ( 1.623 -0.832 1.206) 2.187 5.766 ( 1.623 0.832 1.206) 2.187 5.964 ( 4.824 -3.327 -6.185) 8.520 5.964 ( 4.824 3.327 -6.185) 8.520 6.127 ( -4.659 -5.649 -1.340) 7.444 6.127 ( -4.659 5.649 -1.340) 7.444 6.669 ( 0.439 -4.405 -1.907) 4.820 6.669 ( 0.439 4.405 -1.907) 4.820 6.754 ( -2.076 -4.094 -0.716) 4.646 6.754 ( -2.076 4.094 -0.716) 4.646 7.113 ( -1.784 -3.535 -2.411) 4.636 7.113 ( -1.784 3.535 -2.411) 4.636 7.284 ( 2.927 -0.865 -1.148) 3.261 7.284 ( 2.927 0.865 -1.148) 3.261 7.514 ( -4.246 -1.956 -0.549) 4.707 7.514 ( -4.246 1.956 -0.549) 4.707 7.647 ( 1.336 -3.251 -3.112) 4.695 7.647 ( 1.336 3.251 -3.112) 4.695 7.751 ( 7.595 -4.054 -6.751) 10.941 7.751 ( 7.595 4.054 -6.751) 10.941 7.938 ( 0.160 -9.195 -4.606) 10.285 7.938 ( 0.160 9.195 -4.606) 10.285 8.187 ( -6.054 -3.097 -8.611) 10.972 8.187 ( -6.054 3.097 -8.611) 10.972 8.431 ( -6.837 -4.027 -2.867) 8.437 8.431 ( -6.837 4.027 -2.867) 8.437 8.678 ( 1.810 -5.162 -3.065) 6.270 8.678 ( 1.810 5.162 -3.065) 6.270 9.031 ( -2.922 -10.557 4.720) 11.927 9.031 ( -2.922 10.557 4.720) 11.927 9.127 ( -0.090 -10.907 1.102) 10.962 9.127 ( -0.090 10.907 1.102) 10.962 9.338 ( -3.569 -3.788 5.586) 7.635 9.338 ( -3.569 3.788 5.586) 7.635 9.655 ( -2.215 -5.572 0.915) 6.066 9.655 ( -2.215 5.572 0.915) 6.066 9.814 ( 2.245 -5.651 5.921) 8.487 9.814 ( 2.245 5.651 5.921) 8.487 10.031 ( -0.724 -3.705 10.946) 11.579 10.031 ( -0.724 3.705 10.946) 11.579 10.255 ( 8.867 -11.572 0.917) 14.607 10.255 ( 8.867 11.572 0.917) 14.607 10.640 ( 4.627 -12.547 7.229) 15.202 10.640 ( 4.627 12.547 7.229) 15.202 10.730 ( -1.330 -6.005 3.718) 7.187 10.730 ( -1.330 6.005 3.718) 7.187 11.002 ( 3.093 -4.168 -7.391) 9.031 11.002 ( 3.093 4.168 -7.391) 9.031 11.242 ( -1.228 -6.897 1.438) 7.152 11.242 ( -1.228 6.897 1.438) 7.152 11.724 ( 1.666 -6.927 0.012) 7.125 11.724 ( 1.666 6.927 0.012) 7.125 12.240 ( -5.272 -4.373 9.286) 11.539 12.240 ( -5.272 4.373 9.286) 11.539 12.436 ( -5.129 -1.478 1.489) 5.541 12.436 ( -5.129 1.478 1.489) 5.541 12.588 ( 0.898 -2.120 -1.955) 3.021 12.588 ( 0.898 2.120 -1.955) 3.021 12.753 ( 1.314 -0.353 -4.191) 4.406 12.753 ( 1.314 0.353 -4.191) 4.406 13.443 ( 2.079 -3.045 3.290) 4.942 13.443 ( 2.079 3.045 3.290) 4.942 13.764 ( 1.708 -6.938 -0.603) 7.171 13.764 ( 1.708 6.938 -0.603) 7.171 14.079 ( 0.837 -15.415 7.563) 17.190 14.079 ( 0.837 15.415 7.563) 17.190 14.630 ( 0.999 -16.347 -8.688) 18.539 14.630 ( 0.999 16.347 -8.688) 18.539 15.369 ( 1.475 -5.200 5.881) 7.987 15.369 ( 1.475 5.200 5.881) 7.987 15.869 ( 3.295 -12.724 -10.922) 17.089 15.869 ( 3.295 12.724 -10.922) 17.089 ======================= Grid point 180 (97/111) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 2.195 0.000 -15.091) 15.250 1.491 ( -2.195 0.000 15.091) 15.250 1.716 ( -1.850 0.000 -7.447) 7.673 1.716 ( 1.850 0.000 7.447) 7.673 2.099 ( -1.006 0.000 -0.925) 1.367 2.099 ( 1.006 0.000 0.925) 1.367 2.173 ( -2.289 0.000 -2.259) 3.216 2.173 ( 2.289 0.000 2.259) 3.216 2.365 ( -1.158 0.000 -5.054) 5.185 2.365 ( 1.158 0.000 5.054) 5.185 2.535 ( -2.440 0.000 -0.902) 2.601 2.535 ( 2.440 0.000 0.902) 2.601 2.637 ( 0.438 0.000 -10.664) 10.673 2.637 ( -0.438 0.000 10.664) 10.673 2.749 ( -1.462 0.000 -0.356) 1.505 2.749 ( 1.462 0.000 0.356) 1.505 2.965 ( -1.333 0.000 -3.273) 3.534 2.965 ( 1.333 0.000 3.273) 3.534 3.019 ( -4.201 0.000 -1.366) 4.417 3.019 ( 4.201 0.000 1.366) 4.417 3.493 ( 4.262 0.000 -9.059) 10.011 3.493 ( -4.262 0.000 9.059) 10.011 3.687 ( -1.669 0.000 -2.956) 3.395 3.687 ( 1.669 0.000 2.956) 3.395 3.867 ( -11.713 0.000 -2.857) 12.056 3.867 ( 11.713 0.000 2.857) 12.056 4.099 ( 0.115 0.000 -4.622) 4.624 4.099 ( -0.115 0.000 4.622) 4.624 4.701 ( -11.102 0.000 2.341) 11.346 4.701 ( 11.102 0.000 -2.341) 11.346 5.192 ( 4.078 0.000 -12.205) 12.869 5.192 ( -4.078 0.000 12.205) 12.869 5.299 ( 7.386 0.000 -20.070) 21.386 5.299 ( -7.386 0.000 20.070) 21.386 5.514 ( 4.160 0.000 -12.795) 13.454 5.514 ( -4.160 0.000 12.795) 13.454 5.809 ( 2.985 0.000 -9.596) 10.049 5.809 ( -2.985 0.000 9.596) 10.049 5.868 ( 2.871 0.000 -4.288) 5.161 5.868 ( -2.871 0.000 4.288) 5.161 6.049 ( -8.299 0.000 -0.223) 8.302 6.049 ( 8.299 0.000 0.223) 8.302 6.586 ( -3.731 0.000 -0.968) 3.854 6.586 ( 3.731 0.000 0.968) 3.854 6.636 ( 2.042 0.000 -6.645) 6.951 6.636 ( -2.042 0.000 6.645) 6.951 7.104 ( 4.121 0.000 -7.917) 8.925 7.104 ( -4.121 0.000 7.917) 8.925 7.247 ( -2.586 0.000 -2.835) 3.838 7.247 ( 2.586 0.000 2.835) 3.838 7.355 ( -3.304 0.000 -0.276) 3.316 7.355 ( 3.304 0.000 0.276) 3.316 7.534 ( -2.722 0.000 -2.750) 3.869 7.534 ( 2.722 0.000 2.750) 3.869 7.677 ( 11.997 0.000 -4.101) 12.679 7.677 ( -11.997 0.000 4.101) 12.679 7.932 ( -0.215 0.000 -1.517) 1.532 7.932 ( 0.215 0.000 1.517) 1.532 8.083 ( 1.070 0.000 -2.988) 3.174 8.083 ( -1.070 0.000 2.988) 3.174 8.244 ( 0.453 0.000 -1.191) 1.274 8.244 ( -0.453 0.000 1.191) 1.274 8.684 ( -3.229 0.000 -4.601) 5.621 8.684 ( 3.229 0.000 4.601) 5.621 8.832 ( -9.646 0.000 0.680) 9.670 8.832 ( 9.646 0.000 -0.680) 9.670 9.381 ( 0.675 0.000 -1.938) 2.052 9.381 ( -0.675 0.000 1.938) 2.052 9.541 ( 3.479 0.000 -3.439) 4.891 9.541 ( -3.479 0.000 3.439) 4.891 9.674 ( 2.249 0.000 -12.358) 12.561 9.674 ( -2.249 0.000 12.358) 12.561 9.697 ( -0.334 0.000 -5.078) 5.089 9.697 ( 0.334 0.000 5.078) 5.089 10.196 ( 4.638 0.000 -5.563) 7.243 10.196 ( -4.638 0.000 5.563) 7.243 10.325 ( -5.222 0.000 -0.603) 5.256 10.325 ( 5.222 0.000 0.603) 5.256 10.626 ( 1.029 0.000 -0.619) 1.201 10.626 ( -1.029 0.000 0.619) 1.201 10.892 ( 1.892 0.000 -4.987) 5.334 10.892 ( -1.892 0.000 4.987) 5.334 11.081 ( 3.165 0.000 -5.027) 5.940 11.081 ( -3.165 0.000 5.027) 5.940 11.275 ( -3.378 0.000 -8.054) 8.734 11.275 ( 3.378 0.000 8.054) 8.734 11.815 ( -4.141 0.000 -2.371) 4.772 11.815 ( 4.141 0.000 2.371) 4.772 12.292 ( 4.953 0.000 -10.859) 11.935 12.292 ( -4.953 0.000 10.859) 11.935 12.534 ( 4.964 0.000 -7.641) 9.112 12.534 ( -4.964 0.000 7.641) 9.112 12.749 ( -0.517 0.000 -3.437) 3.476 12.749 ( 0.517 0.000 3.437) 3.476 12.878 ( -0.505 0.000 -1.913) 1.979 12.878 ( 0.505 0.000 1.913) 1.979 13.324 ( -6.358 0.000 -0.382) 6.369 13.324 ( 6.358 0.000 0.382) 6.369 13.688 ( 2.300 0.000 -9.586) 9.858 13.688 ( -2.300 0.000 9.586) 9.858 13.971 ( -1.769 0.000 -5.709) 5.977 13.971 ( 1.769 0.000 5.709) 5.977 14.668 ( -1.726 0.000 -8.477) 8.651 14.668 ( 1.726 0.000 8.477) 8.651 15.337 ( -3.803 0.000 -0.699) 3.867 15.337 ( 3.803 0.000 0.699) 3.867 15.787 ( -1.884 0.000 -11.840) 11.989 15.787 ( 1.884 0.000 11.840) 11.989 ======================= Grid point 182 (98/111) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 6.149 0.000 -15.975) 17.118 1.545 ( 1.185 0.000 5.432) 5.560 1.713 ( 5.578 0.000 -3.993) 6.860 1.827 ( 6.183 0.000 1.250) 6.308 2.095 ( -0.222 0.000 2.962) 2.970 2.105 ( -0.899 0.000 -1.621) 1.853 2.163 ( 1.963 0.000 4.757) 5.146 2.220 ( 1.830 0.000 0.640) 1.939 2.320 ( -0.421 0.000 -3.270) 3.297 2.348 ( -4.987 0.000 -0.118) 4.989 2.538 ( 1.885 0.000 5.516) 5.829 2.570 ( 0.377 0.000 0.503) 0.628 2.628 ( 5.502 0.000 -12.530) 13.685 2.703 ( 1.577 0.000 3.249) 3.612 2.703 ( -3.205 0.000 -0.401) 3.230 2.748 ( -1.970 0.000 1.107) 2.260 2.870 ( -4.695 0.000 -1.992) 5.100 2.891 ( -2.675 0.000 -1.684) 3.161 3.035 ( -0.152 0.000 1.461) 1.469 3.067 ( -1.540 0.000 -0.343) 1.577 3.519 ( -8.986 0.000 -4.696) 10.139 3.532 ( 3.223 0.000 9.283) 9.827 3.555 ( 4.344 0.000 -8.547) 9.587 3.688 ( -2.012 0.000 -1.154) 2.320 3.742 ( -1.392 0.000 0.235) 1.412 4.067 ( -1.347 0.000 -4.277) 4.484 4.069 ( 3.521 0.000 5.511) 6.540 4.171 ( 7.171 0.000 4.532) 8.483 4.497 ( -10.178 0.000 2.480) 10.475 4.847 ( 5.592 0.000 -3.421) 6.555 5.135 ( -7.915 0.000 8.980) 11.971 5.175 ( 1.794 0.000 -12.511) 12.639 5.298 ( -4.408 0.000 15.106) 15.736 5.359 ( 10.150 0.000 -20.470) 22.848 5.470 ( -7.143 0.000 11.813) 13.804 5.492 ( 1.627 0.000 -13.278) 13.377 5.778 ( -1.365 0.000 -2.988) 3.285 5.790 ( -4.583 0.000 10.379) 11.346 5.827 ( -3.339 0.000 3.997) 5.208 5.882 ( 1.142 0.000 -2.910) 3.126 5.977 ( 3.300 0.000 -8.404) 9.028 6.241 ( 9.951 0.000 1.683) 10.092 6.513 ( -2.571 0.000 -0.168) 2.576 6.600 ( 0.758 0.000 -1.750) 1.907 6.673 ( -0.963 0.000 12.160) 12.198 6.725 ( 5.108 0.000 1.373) 5.289 7.046 ( -5.254 0.000 6.693) 8.509 7.070 ( -1.152 0.000 -12.874) 12.926 7.224 ( -0.909 0.000 6.885) 6.945 7.273 ( -0.602 0.000 -0.070) 0.606 7.393 ( 4.428 0.000 3.345) 5.549 7.463 ( -4.279 0.000 1.686) 4.599 7.500 ( 4.156 0.000 0.368) 4.172 7.545 ( 3.930 0.000 3.238) 5.093 7.647 ( 4.047 0.000 8.142) 9.092 7.818 ( 0.815 0.000 -5.696) 5.754 7.823 ( -8.615 0.000 -4.384) 9.666 7.909 ( -1.248 0.000 5.032) 5.184 8.056 ( 4.708 0.000 -6.095) 7.702 8.106 ( 6.738 0.000 0.397) 6.749 8.326 ( 4.954 0.000 -1.445) 5.160 8.368 ( 8.810 0.000 1.374) 8.916 8.567 ( -7.373 0.000 -3.669) 8.236 8.721 ( -1.340 0.000 2.231) 2.602 8.773 ( 2.907 0.000 5.125) 5.892 8.997 ( 7.119 0.000 -4.517) 8.431 9.321 ( -6.012 0.000 -1.140) 6.119 9.347 ( -4.003 0.000 1.737) 4.363 9.524 ( 1.682 0.000 -0.676) 1.813 9.554 ( 3.165 0.000 -9.074) 9.610 9.643 ( 0.801 0.000 -8.018) 8.058 9.718 ( -0.425 0.000 5.195) 5.213 9.743 ( -0.409 0.000 11.822) 11.829 9.758 ( 8.474 0.000 -5.153) 9.918 10.068 ( -7.960 0.000 -3.128) 8.553 10.203 ( 0.338 0.000 -4.152) 4.166 10.222 ( -8.062 0.000 9.813) 12.700 10.355 ( -1.011 0.000 -8.021) 8.084 10.599 ( -5.235 0.000 2.895) 5.983 10.625 ( -2.355 0.000 12.880) 13.094 10.838 ( -4.810 0.000 -3.671) 6.051 10.846 ( -1.947 0.000 -6.280) 6.575 11.058 ( -0.783 0.000 -1.135) 1.379 11.093 ( 0.847 0.000 -5.246) 5.314 11.205 ( 0.545 0.000 -4.293) 4.328 11.366 ( 1.619 0.000 4.433) 4.720 11.713 ( -5.020 0.000 -0.673) 5.065 11.875 ( 0.029 0.000 2.763) 2.763 12.273 ( -3.437 0.000 11.128) 11.647 12.345 ( 6.621 0.000 -8.924) 11.112 12.509 ( -3.108 0.000 10.441) 10.893 12.599 ( 4.547 0.000 -4.739) 6.568 12.719 ( 1.222 0.000 -7.364) 7.464 12.763 ( -0.557 0.000 1.532) 1.630 12.869 ( 0.462 0.000 -1.189) 1.275 12.903 ( 0.635 0.000 2.065) 2.160 13.185 ( -6.823 0.000 -2.003) 7.110 13.420 ( 4.440 0.000 -3.364) 5.570 13.671 ( 1.097 0.000 -8.761) 8.829 13.696 ( -3.213 0.000 10.989) 11.449 13.900 ( -0.917 0.000 -6.419) 6.484 13.994 ( -2.447 0.000 3.757) 4.484 14.587 ( -2.141 0.000 -7.181) 7.493 14.743 ( 0.218 0.000 10.193) 10.195 15.267 ( -2.128 0.000 -2.271) 3.112 15.406 ( 3.435 0.000 -1.522) 3.757 15.677 ( -2.201 0.000 -11.189) 11.404 15.863 ( -0.759 0.000 10.426) 10.453 ======================= Grid point 183 (99/111) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 8.427 0.000 -13.722) 16.103 1.613 ( 5.483 0.000 -1.722) 5.747 1.861 ( 9.670 0.000 1.231) 9.748 1.925 ( 5.306 0.000 -7.123) 8.882 2.110 ( -1.466 0.000 4.295) 4.538 2.132 ( 3.712 0.000 3.379) 5.020 2.221 ( -3.024 0.000 -1.720) 3.479 2.239 ( 2.992 0.000 1.310) 3.266 2.282 ( 2.086 0.000 -2.177) 3.015 2.317 ( 0.689 0.000 2.366) 2.464 2.560 ( -1.222 0.000 -1.057) 1.616 2.586 ( -1.472 0.000 0.354) 1.514 2.612 ( -2.598 0.000 4.093) 4.848 2.632 ( -4.953 0.000 -2.949) 5.765 2.693 ( 4.573 0.000 -9.392) 10.446 2.767 ( -1.122 0.000 2.933) 3.140 2.831 ( -0.696 0.000 -1.669) 1.808 2.855 ( -0.157 0.000 -1.270) 1.279 2.989 ( -3.596 0.000 2.493) 4.376 2.997 ( -4.690 0.000 1.384) 4.890 3.344 ( -3.776 0.000 -2.604) 4.587 3.586 ( -5.327 0.000 -3.437) 6.339 3.616 ( 1.227 0.000 -1.596) 2.013 3.673 ( 3.206 0.000 8.006) 8.624 3.751 ( 5.695 0.000 -6.607) 8.723 3.995 ( -4.021 0.000 -2.335) 4.650 4.085 ( -2.424 0.000 -1.805) 3.022 4.341 ( 4.671 0.000 8.500) 9.699 4.406 ( 0.098 0.000 2.991) 2.993 4.894 ( 1.814 0.000 -3.418) 3.869 5.029 ( -6.035 0.000 4.798) 7.710 5.127 ( 0.374 0.000 -10.422) 10.429 5.256 ( -7.541 0.000 9.483) 12.116 5.374 ( 0.369 0.000 -15.266) 15.271 5.417 ( -4.498 0.000 10.756) 11.659 5.467 ( 5.946 0.000 -16.822) 17.842 5.750 ( -6.303 0.000 13.100) 14.538 5.790 ( 3.832 0.000 -1.151) 4.001 5.810 ( 0.009 0.000 1.370) 1.370 5.877 ( -0.040 0.000 -3.190) 3.190 6.049 ( 9.378 0.000 -11.524) 14.858 6.413 ( 5.487 0.000 4.675) 7.209 6.479 ( -1.259 0.000 0.797) 1.490 6.628 ( 2.660 0.000 0.265) 2.673 6.726 ( -1.048 0.000 13.237) 13.278 6.782 ( -0.501 0.000 1.988) 2.050 6.966 ( -1.849 0.000 -9.447) 9.626 6.997 ( -4.916 0.000 10.408) 11.510 7.196 ( -6.588 0.000 7.717) 10.147 7.245 ( -1.501 0.000 -1.906) 2.426 7.426 ( 2.104 0.000 -1.009) 2.334 7.502 ( 2.866 0.000 4.128) 5.025 7.605 ( -6.168 0.000 -3.075) 6.892 7.639 ( 1.561 0.000 0.903) 1.804 7.645 ( 5.175 0.000 2.860) 5.912 7.776 ( 3.152 0.000 1.279) 3.401 7.806 ( 5.902 0.000 4.965) 7.712 7.933 ( -0.428 0.000 2.849) 2.881 8.169 ( 6.823 0.000 -2.330) 7.210 8.315 ( 13.095 0.000 -2.168) 13.273 8.382 ( 1.981 0.000 0.534) 2.052 8.397 ( -6.435 0.000 -1.042) 6.518 8.564 ( 9.430 0.000 0.248) 9.434 8.780 ( 4.769 0.000 5.888) 7.577 8.845 ( 2.716 0.000 1.683) 3.195 9.008 ( -0.925 0.000 -9.325) 9.371 9.179 ( -7.391 0.000 -0.960) 7.453 9.225 ( -9.964 0.000 0.591) 9.982 9.555 ( -0.140 0.000 0.828) 0.840 9.575 ( 1.970 0.000 -6.951) 7.225 9.658 ( 5.849 0.000 -7.197) 9.273 9.691 ( -4.619 0.000 6.898) 8.302 9.809 ( 2.525 0.000 1.411) 2.892 9.891 ( 5.458 0.000 -6.366) 8.386 9.930 ( -1.802 0.000 -0.302) 1.827 10.142 ( -4.886 0.000 8.735) 10.008 10.189 ( -2.280 0.000 5.029) 5.522 10.255 ( -1.078 0.000 -13.131) 13.175 10.475 ( -6.248 0.000 -3.624) 7.223 10.634 ( -3.626 0.000 6.309) 7.277 10.717 ( -7.544 0.000 8.789) 11.583 10.762 ( -1.812 0.000 -10.203) 10.363 10.998 ( -4.751 0.000 -4.214) 6.350 11.095 ( 1.748 0.000 -1.526) 2.321 11.198 ( -0.525 0.000 -2.759) 2.808 11.383 ( -0.474 0.000 -1.129) 1.225 11.640 ( -2.308 0.000 1.201) 2.601 11.838 ( -5.108 0.000 3.048) 5.948 12.295 ( -0.687 0.000 9.953) 9.977 12.439 ( 7.270 0.000 -6.519) 9.765 12.524 ( -2.270 0.000 12.187) 12.397 12.607 ( -0.046 0.000 -7.253) 7.253 12.729 ( 3.841 0.000 -9.770) 10.498 12.756 ( -0.938 0.000 1.982) 2.193 12.875 ( 0.626 0.000 -0.907) 1.102 12.917 ( -0.316 0.000 1.905) 1.931 13.088 ( -1.336 0.000 -0.546) 1.444 13.453 ( 2.064 0.000 -6.877) 7.180 13.623 ( -0.972 0.000 -8.282) 8.339 13.664 ( -6.954 0.000 9.444) 11.728 13.884 ( 2.474 0.000 -5.216) 5.773 13.948 ( -3.573 0.000 4.768) 5.958 14.511 ( -1.382 0.000 -6.642) 6.784 14.773 ( -3.384 0.000 9.661) 10.237 15.244 ( 0.894 0.000 -1.528) 1.770 15.446 ( 2.125 0.000 -3.301) 3.926 15.599 ( 0.184 0.000 -8.019) 8.021 15.872 ( -3.645 0.000 7.605) 8.433 ======================= Grid point 184 (100/111) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 8.709 0.000 -10.014) 13.272 1.740 ( 8.107 0.000 0.184) 8.109 1.978 ( 5.452 0.000 -7.594) 9.348 2.024 ( -7.193 0.000 1.840) 7.424 2.060 ( 9.520 0.000 -0.053) 9.520 2.219 ( 1.120 0.000 -0.533) 1.240 2.258 ( 5.734 0.000 1.899) 6.040 2.264 ( 0.583 0.000 -0.546) 0.798 2.274 ( -1.432 0.000 -4.794) 5.003 2.363 ( 0.339 0.000 3.842) 3.857 2.518 ( -0.779 0.000 4.049) 4.123 2.561 ( -2.123 0.000 0.685) 2.231 2.574 ( 0.445 0.000 -5.298) 5.317 2.595 ( 0.590 0.000 1.032) 1.189 2.685 ( -5.341 0.000 -1.700) 5.605 2.732 ( -2.472 0.000 1.607) 2.949 2.754 ( -0.452 0.000 -2.031) 2.080 2.836 ( -2.573 0.000 1.995) 3.256 2.924 ( -3.704 0.000 -1.016) 3.841 2.976 ( -2.043 0.000 1.996) 2.856 3.381 ( 7.017 0.000 1.338) 7.143 3.459 ( -5.315 0.000 -0.815) 5.377 3.560 ( -3.096 0.000 -4.754) 5.673 3.725 ( -1.664 0.000 3.696) 4.053 3.860 ( 1.444 0.000 -6.903) 7.053 3.940 ( 5.061 0.000 3.586) 6.203 3.999 ( -2.981 0.000 -7.490) 8.062 4.409 ( -0.529 0.000 2.354) 2.413 4.496 ( 3.701 0.000 8.554) 9.321 4.874 ( -2.206 0.000 -3.620) 4.239 4.991 ( -0.595 0.000 4.610) 4.649 5.092 ( 2.255 0.000 -9.269) 9.539 5.157 ( -6.558 0.000 7.675) 10.095 5.258 ( -3.922 0.000 -9.995) 10.737 5.414 ( -2.372 0.000 10.407) 10.674 5.486 ( 5.699 0.000 -17.957) 18.839 5.719 ( -4.303 0.000 12.633) 13.346 5.826 ( 1.384 0.000 -0.910) 1.656 5.837 ( -1.892 0.000 -1.203) 2.242 5.878 ( 5.454 0.000 -6.204) 8.260 6.168 ( 9.020 0.000 -10.204) 13.619 6.470 ( 0.474 0.000 0.963) 1.074 6.502 ( -0.521 0.000 8.314) 8.330 6.671 ( -0.525 0.000 0.760) 0.923 6.775 ( 1.826 0.000 0.755) 1.976 6.783 ( 0.594 0.000 8.657) 8.677 6.925 ( 2.376 0.000 -8.020) 8.365 6.968 ( -5.702 0.000 14.030) 15.144 7.118 ( -4.818 0.000 5.774) 7.520 7.200 ( -2.007 0.000 -1.285) 2.383 7.369 ( -5.325 0.000 -2.806) 6.019 7.484 ( -5.554 0.000 0.710) 5.599 7.589 ( 3.936 0.000 -0.729) 4.002 7.663 ( 1.462 0.000 -0.163) 1.471 7.763 ( 5.541 0.000 0.499) 5.563 7.911 ( 6.907 0.000 1.990) 7.188 7.926 ( -2.016 0.000 3.977) 4.458 7.947 ( 5.361 0.000 4.722) 7.144 8.253 ( 2.319 0.000 2.602) 3.485 8.337 ( 0.269 0.000 2.058) 2.075 8.351 ( -1.931 0.000 -1.474) 2.429 8.577 ( 11.219 0.000 -1.182) 11.281 8.708 ( 4.247 0.000 2.888) 5.136 8.867 ( -3.870 0.000 -5.234) 6.509 8.950 ( 2.854 0.000 -3.572) 4.572 8.963 ( 9.768 0.000 5.753) 11.337 9.002 ( -10.063 0.000 -0.179) 10.065 9.050 ( -5.770 0.000 1.833) 6.054 9.472 ( -8.060 0.000 -0.317) 8.066 9.547 ( -1.523 0.000 -5.813) 6.010 9.672 ( -1.726 0.000 6.690) 6.909 9.697 ( 3.174 0.000 -10.645) 11.109 9.849 ( 3.001 0.000 -4.323) 5.263 9.914 ( 4.912 0.000 -2.397) 5.465 9.982 ( -2.237 0.000 11.769) 11.980 10.130 ( -1.573 0.000 -9.486) 9.615 10.141 ( 3.112 0.000 -6.942) 7.608 10.235 ( -0.945 0.000 9.640) 9.687 10.380 ( 0.679 0.000 -6.798) 6.832 10.590 ( -2.570 0.000 4.223) 4.944 10.662 ( -4.371 0.000 8.844) 9.865 10.669 ( -0.754 0.000 -12.443) 12.466 10.830 ( -10.351 0.000 -0.709) 10.375 11.082 ( -4.761 0.000 -4.518) 6.563 11.176 ( 1.211 0.000 2.533) 2.808 11.350 ( -0.945 0.000 -4.780) 4.872 11.637 ( 0.629 0.000 1.725) 1.836 11.750 ( -5.084 0.000 3.279) 6.049 12.341 ( -0.850 0.000 10.087) 10.123 12.483 ( 0.061 0.000 -9.474) 9.474 12.557 ( -0.836 0.000 10.052) 10.087 12.592 ( 6.069 0.000 -10.253) 11.915 12.723 ( 0.508 0.000 -5.231) 5.255 12.753 ( -1.393 0.000 4.698) 4.901 12.884 ( 0.871 0.000 -0.673) 1.101 12.922 ( -0.040 0.000 0.845) 0.846 13.128 ( 5.110 0.000 -1.421) 5.304 13.429 ( -1.369 0.000 -3.299) 3.572 13.549 ( -2.498 0.000 -5.389) 5.940 13.549 ( -7.565 0.000 3.246) 8.232 13.918 ( 3.512 0.000 -4.795) 5.943 13.933 ( -1.714 0.000 6.731) 6.946 14.472 ( 1.338 0.000 -5.824) 5.976 14.719 ( -6.798 0.000 6.656) 9.514 15.280 ( 2.824 0.000 1.033) 3.007 15.449 ( 0.454 0.000 -4.375) 4.398 15.596 ( 2.766 0.000 -3.785) 4.688 15.818 ( -5.248 0.000 4.398) 6.847 ======================= Grid point 185 (101/111) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 8.365 0.000 -6.223) 10.426 1.871 ( -3.697 0.000 3.113) 4.833 1.937 ( 4.931 0.000 2.785) 5.663 2.056 ( 5.784 0.000 -3.488) 6.754 2.112 ( -8.164 0.000 -3.579) 8.914 2.140 ( -2.255 0.000 -2.139) 3.108 2.264 ( 3.181 0.000 0.558) 3.229 2.287 ( 0.783 0.000 0.323) 0.847 2.390 ( 4.771 0.000 0.880) 4.851 2.394 ( 1.685 0.000 2.098) 2.691 2.506 ( -1.772 0.000 -2.205) 2.829 2.513 ( -2.814 0.000 0.277) 2.827 2.564 ( -0.502 0.000 -1.544) 1.623 2.601 ( 2.248 0.000 0.104) 2.251 2.656 ( 0.957 0.000 1.644) 1.902 2.675 ( -4.145 0.000 0.044) 4.145 2.759 ( 0.176 0.000 2.590) 2.596 2.814 ( -2.859 0.000 -1.039) 3.042 2.857 ( 1.045 0.000 2.245) 2.476 2.927 ( -2.880 0.000 -1.331) 3.173 3.397 ( -1.548 0.000 1.985) 2.517 3.422 ( -2.148 0.000 -3.562) 4.159 3.606 ( 7.080 0.000 2.530) 7.519 3.687 ( -2.496 0.000 0.708) 2.595 3.801 ( -0.359 0.000 -1.844) 1.879 3.882 ( -4.896 0.000 -7.116) 8.638 4.149 ( 10.667 0.000 3.665) 11.279 4.339 ( -6.900 0.000 -1.583) 7.079 4.625 ( 5.275 0.000 7.133) 8.872 4.770 ( -5.850 0.000 -4.520) 7.393 5.039 ( 1.146 0.000 8.150) 8.230 5.096 ( 3.712 0.000 -13.783) 14.274 5.116 ( -2.798 0.000 8.230) 8.693 5.140 ( -3.153 0.000 -4.725) 5.680 5.438 ( -1.614 0.000 11.277) 11.392 5.473 ( 2.724 0.000 -14.521) 14.774 5.730 ( -1.040 0.000 9.350) 9.407 5.780 ( -1.617 0.000 -5.180) 5.427 5.859 ( 2.393 0.000 0.350) 2.418 5.906 ( -0.213 0.000 -3.728) 3.734 6.295 ( 10.517 0.000 -9.230) 13.993 6.435 ( -7.824 0.000 7.949) 11.153 6.553 ( 3.387 0.000 2.156) 4.015 6.628 ( -3.418 0.000 0.282) 3.429 6.846 ( 5.551 0.000 -5.994) 8.169 6.847 ( 2.241 0.000 3.651) 4.284 6.920 ( -1.378 0.000 -1.180) 1.814 6.927 ( -5.805 0.000 10.433) 11.939 7.112 ( 3.517 0.000 -2.437) 4.279 7.162 ( -2.487 0.000 2.525) 3.544 7.289 ( -1.236 0.000 0.066) 1.237 7.351 ( -6.925 0.000 -0.240) 6.930 7.652 ( 2.355 0.000 0.162) 2.360 7.676 ( -0.012 0.000 -0.686) 0.686 7.854 ( 4.455 0.000 -2.807) 5.265 7.902 ( -2.668 0.000 3.347) 4.280 8.020 ( 3.669 0.000 -0.687) 3.733 8.037 ( 0.754 0.000 4.144) 4.212 8.294 ( 0.163 0.000 2.563) 2.568 8.308 ( -0.498 0.000 -2.916) 2.958 8.422 ( 5.637 0.000 7.931) 9.730 8.621 ( -8.828 0.000 -7.849) 11.812 8.757 ( 4.620 0.000 -5.445) 7.141 8.769 ( 0.347 0.000 4.535) 4.549 8.890 ( -1.243 0.000 0.508) 1.342 8.943 ( -4.927 0.000 -0.456) 4.948 9.087 ( 7.696 0.000 4.033) 8.688 9.195 ( 5.980 0.000 6.261) 8.658 9.305 ( -5.160 0.000 -1.087) 5.273 9.434 ( -6.141 0.000 -7.908) 10.013 9.684 ( -1.092 0.000 7.154) 7.237 9.700 ( 2.320 0.000 -8.149) 8.473 9.888 ( 1.920 0.000 1.403) 2.378 9.938 ( -1.487 0.000 -3.771) 4.053 10.005 ( -0.476 0.000 8.545) 8.558 10.055 ( -0.124 0.000 -10.932) 10.933 10.214 ( 8.173 0.000 -4.936) 9.548 10.273 ( -2.292 0.000 10.921) 11.159 10.401 ( 4.529 0.000 -5.889) 7.429 10.531 ( -9.370 0.000 2.508) 9.700 10.613 ( 2.557 0.000 -12.906) 13.157 10.615 ( -4.025 0.000 7.212) 8.259 10.739 ( 2.587 0.000 7.417) 7.855 10.905 ( -8.487 0.000 -7.087) 11.056 11.237 ( 1.744 0.000 5.828) 6.083 11.299 ( -1.127 0.000 -6.156) 6.259 11.665 ( 1.369 0.000 0.484) 1.452 11.695 ( -2.469 0.000 1.944) 3.143 12.373 ( -2.149 0.000 12.422) 12.606 12.414 ( 1.066 0.000 -13.988) 14.028 12.603 ( 1.149 0.000 4.374) 4.522 12.636 ( 0.306 0.000 -1.765) 1.791 12.721 ( 4.184 0.000 -9.359) 10.252 12.748 ( -3.264 0.000 8.285) 8.905 12.901 ( 1.153 0.000 -0.418) 1.227 12.918 ( -0.766 0.000 0.394) 0.862 13.237 ( 8.280 0.000 -6.496) 10.524 13.356 ( -8.907 0.000 11.266) 14.362 13.462 ( 1.125 0.000 -8.978) 9.048 13.480 ( -3.146 0.000 1.316) 3.410 13.944 ( -1.370 0.000 6.568) 6.709 13.946 ( 2.288 0.000 -5.614) 6.062 14.506 ( 5.313 0.000 -4.602) 7.029 14.609 ( -7.548 0.000 4.552) 8.814 15.350 ( 2.823 0.000 3.308) 4.349 15.414 ( -1.403 0.000 -4.454) 4.670 15.650 ( 4.268 0.000 -1.524) 4.531 15.733 ( -5.239 0.000 2.003) 5.609 ======================= Grid point 190 (102/111) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 1.401 4.143 -11.959) 12.733 1.532 ( -1.401 4.143 11.959) 12.733 1.735 ( -1.507 2.054 -5.112) 5.711 1.735 ( 1.507 2.054 5.112) 5.711 2.040 ( 2.883 -7.795 -4.569) 9.484 2.040 ( -2.883 -7.795 4.569) 9.484 2.143 ( -0.677 -1.595 -4.772) 5.076 2.143 ( 0.677 -1.595 4.772) 5.076 2.386 ( 0.588 3.133 -4.025) 5.134 2.386 ( -0.588 3.133 4.025) 5.134 2.561 ( -0.661 1.993 -1.325) 2.483 2.561 ( 0.661 1.993 1.325) 2.483 2.641 ( 2.418 0.713 -8.357) 8.729 2.641 ( -2.418 0.713 8.357) 8.729 2.753 ( -2.300 0.662 -2.371) 3.369 2.753 ( 2.300 0.662 2.371) 3.369 2.917 ( -0.265 -5.328 -3.630) 6.452 2.917 ( 0.265 -5.328 3.630) 6.452 2.992 ( -2.876 -2.049 -1.055) 3.686 2.992 ( 2.876 -2.049 1.055) 3.686 3.516 ( 2.596 2.777 -8.564) 9.369 3.516 ( -2.596 2.777 8.564) 9.369 3.722 ( -1.056 1.554 -6.479) 6.746 3.722 ( 1.056 1.554 6.479) 6.746 3.833 ( -9.502 -2.465 -2.630) 10.163 3.833 ( 9.502 -2.465 2.630) 10.163 4.069 ( 0.520 -2.321 -4.161) 4.792 4.069 ( -0.520 -2.321 4.161) 4.792 4.717 ( -4.542 1.529 0.369) 4.807 4.717 ( 4.542 1.529 -0.369) 4.807 5.140 ( 2.580 -4.683 -6.477) 8.399 5.140 ( -2.580 -4.683 6.477) 8.399 5.330 ( 7.512 3.500 -19.996) 21.645 5.330 ( -7.512 3.500 19.996) 21.645 5.488 ( 2.346 -2.811 -10.687) 11.297 5.488 ( -2.346 -2.811 10.687) 11.297 5.810 ( 1.161 -0.835 -1.138) 1.828 5.810 ( -1.161 -0.835 1.138) 1.828 5.900 ( -3.324 4.161 -0.500) 5.350 5.900 ( 3.324 4.161 0.500) 5.350 6.042 ( -6.566 -1.404 -1.279) 6.835 6.042 ( 6.566 -1.404 1.279) 6.835 6.575 ( -2.492 -0.815 -1.305) 2.929 6.575 ( 2.492 -0.815 1.305) 2.929 6.694 ( -0.333 5.021 -5.586) 7.518 6.694 ( 0.333 5.021 5.586) 7.518 7.090 ( 1.846 -1.355 -5.822) 6.256 7.090 ( -1.846 -1.355 5.822) 6.256 7.265 ( -2.107 1.910 -2.836) 4.016 7.265 ( 2.107 1.910 2.836) 4.016 7.367 ( -2.159 0.147 -1.347) 2.549 7.367 ( 2.159 0.147 1.347) 2.549 7.573 ( -0.390 2.399 -3.538) 4.292 7.573 ( 0.390 2.399 3.538) 4.292 7.694 ( -10.412 4.111 1.021) 11.241 7.694 ( 10.412 4.111 -1.021) 11.241 7.950 ( -3.753 -0.839 -3.032) 4.898 7.950 ( 3.753 -0.839 3.032) 4.898 8.080 ( -2.345 0.877 -1.496) 2.916 8.080 ( 2.345 0.877 1.496) 2.916 8.243 ( -1.424 -0.282 -1.275) 1.932 8.243 ( 1.424 -0.282 1.275) 1.932 8.674 ( -1.168 -0.858 -3.304) 3.608 8.674 ( 1.168 -0.858 3.304) 3.608 8.894 ( -3.247 7.244 -0.009) 7.938 8.894 ( 3.247 7.244 0.009) 7.938 9.312 ( 1.463 -7.863 -3.021) 8.549 9.312 ( -1.463 -7.863 3.021) 8.549 9.516 ( -2.312 -1.346 -3.135) 4.122 9.516 ( 2.312 -1.346 3.135) 4.122 9.621 ( -0.368 -4.976 -10.555) 11.675 9.621 ( 0.368 -4.976 10.555) 11.675 9.806 ( -0.327 10.665 -5.614) 12.057 9.806 ( 0.327 10.665 5.614) 12.057 10.142 ( -0.934 -4.594 -8.184) 9.431 10.142 ( 0.934 -4.594 8.184) 9.431 10.387 ( -4.612 3.319 -10.402) 11.853 10.387 ( 4.612 3.319 10.402) 11.853 10.602 ( -3.458 0.828 -8.034) 8.786 10.602 ( 3.458 0.828 8.034) 8.786 10.899 ( 1.225 -0.356 -4.069) 4.264 10.899 ( -1.225 -0.356 4.069) 4.264 11.047 ( 3.484 -5.554 -5.925) 8.837 11.047 ( -3.484 -5.554 5.925) 8.837 11.266 ( -3.229 0.011 -6.400) 7.168 11.266 ( 3.229 0.011 6.400) 7.168 11.776 ( -3.535 -4.194 -2.132) 5.885 11.776 ( 3.535 -4.194 2.132) 5.885 12.303 ( 2.826 -0.025 -7.781) 8.278 12.303 ( -2.826 -0.025 7.781) 8.278 12.485 ( 0.765 -3.817 -1.154) 4.060 12.485 ( -0.765 -3.817 1.154) 4.060 12.630 ( 1.486 -12.500 -5.807) 13.863 12.630 ( -1.486 -12.500 5.807) 13.863 12.742 ( 0.733 -1.430 -2.546) 3.011 12.742 ( -0.733 -1.430 2.546) 3.011 13.421 ( 2.102 5.849 -2.143) 6.575 13.421 ( -2.102 5.849 2.143) 6.575 13.880 ( 0.230 -3.572 -3.194) 4.797 13.880 ( -0.230 -3.572 3.194) 4.797 13.971 ( -0.725 18.229 -9.237) 20.448 13.971 ( 0.725 18.229 9.237) 20.448 14.597 ( -1.654 -7.727 -8.706) 11.757 14.597 ( 1.654 -7.727 8.706) 11.757 15.433 ( -2.276 9.104 -4.683) 10.488 15.433 ( 2.276 9.104 4.683) 10.488 15.745 ( -1.908 -4.576 -11.270) 12.312 15.745 ( 1.908 -4.576 11.270) 12.312 ======================= Grid point 192 (103/111) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 4.946 4.098 -12.333) 13.906 1.579 ( 1.702 2.893 1.744) 3.783 1.746 ( 4.859 3.494 0.091) 5.986 1.832 ( 6.198 0.794 -0.606) 6.278 1.997 ( -0.974 -7.982 -0.252) 8.045 2.084 ( 4.188 -7.108 -4.774) 9.532 2.153 ( 1.776 1.510 5.661) 6.122 2.202 ( 0.704 -0.153 5.202) 5.251 2.365 ( -0.025 2.970 -2.041) 3.604 2.382 ( -3.120 2.817 -1.041) 4.330 2.541 ( -0.506 1.209 2.659) 2.965 2.565 ( -0.488 0.420 -0.279) 0.701 2.650 ( 0.240 -0.427 -1.653) 1.725 2.661 ( 2.304 -0.652 -4.239) 4.868 2.695 ( -1.071 -0.955 1.037) 1.770 2.760 ( -2.045 0.459 -2.644) 3.374 2.883 ( -2.325 -1.287 -1.936) 3.288 2.890 ( -1.423 2.094 0.253) 2.544 2.975 ( 0.351 -5.727 1.246) 5.872 3.031 ( -0.723 -3.399 0.454) 3.505 3.492 ( -0.474 -0.957 1.254) 1.647 3.536 ( -9.248 0.376 -3.310) 9.829 3.568 ( 1.794 1.113 -2.812) 3.516 3.705 ( -3.001 -2.624 -3.646) 5.402 3.749 ( -0.353 3.752 4.090) 5.561 3.967 ( 0.548 -6.735 0.702) 6.793 4.119 ( 3.379 1.789 0.658) 3.880 4.149 ( 7.569 -1.438 3.473) 8.451 4.550 ( -8.652 5.572 2.756) 10.654 4.811 ( 2.271 -4.480 -1.787) 5.331 5.099 ( -3.616 -2.190 1.929) 4.647 5.165 ( 2.124 -2.301 -5.079) 5.967 5.301 ( -2.643 0.993 7.276) 7.805 5.360 ( 3.478 3.301 -11.023) 12.021 5.453 ( 0.133 -4.070 -7.789) 8.789 5.503 ( -0.125 0.700 2.345) 2.450 5.761 ( -4.480 -1.555 4.657) 6.646 5.795 ( -2.536 0.038 2.085) 3.283 5.843 ( -2.176 2.470 -0.062) 3.292 5.940 ( -0.022 -2.408 -4.694) 5.276 5.965 ( 3.298 6.713 -1.771) 7.686 6.214 ( 8.030 -3.457 1.683) 8.903 6.537 ( -1.520 2.436 1.356) 3.176 6.633 ( 1.625 0.142 3.787) 4.123 6.682 ( 0.612 2.954 0.538) 3.064 6.759 ( 2.525 2.989 4.098) 5.666 7.036 ( -2.716 0.175 0.547) 2.777 7.100 ( -1.248 0.904 -4.649) 4.898 7.208 ( -3.665 -0.516 5.985) 7.037 7.264 ( -2.265 -0.805 -0.189) 2.411 7.406 ( 4.021 1.140 4.194) 5.921 7.454 ( 2.038 -1.009 2.723) 3.548 7.544 ( -1.409 3.588 1.662) 4.198 7.596 ( 3.779 4.554 0.051) 5.918 7.643 ( 2.627 -0.926 6.373) 6.955 7.812 ( -7.715 -2.345 -4.059) 9.027 7.837 ( -1.172 3.088 -4.570) 5.639 7.956 ( -2.702 3.281 2.206) 4.789 7.993 ( 4.987 -0.321 -1.133) 5.124 8.174 ( 10.781 -0.739 -1.803) 10.956 8.328 ( 6.081 2.902 -0.330) 6.746 8.404 ( 9.711 2.330 0.882) 10.025 8.587 ( -6.212 2.143 -1.639) 6.772 8.683 ( -0.397 -2.372 3.230) 4.027 8.868 ( 1.192 9.344 2.750) 9.813 9.015 ( 6.152 2.697 -3.894) 7.765 9.268 ( -3.483 -7.750 0.720) 8.527 9.300 ( -3.035 -3.801 -1.701) 5.153 9.477 ( 1.130 -2.874 -3.320) 4.534 9.527 ( 1.918 -3.803 -7.907) 8.981 9.652 ( 5.689 -1.539 -1.188) 6.012 9.682 ( -0.647 -4.295 8.286) 9.356 9.766 ( 0.180 8.750 -2.811) 9.192 9.843 ( 0.405 6.472 1.466) 6.648 10.040 ( -5.012 -3.472 -3.074) 6.829 10.167 ( -5.116 -4.348 11.874) 13.640 10.234 ( -4.849 2.646 -6.397) 8.452 10.411 ( -4.825 5.563 -10.257) 12.627 10.538 ( -1.963 -6.167 9.348) 11.370 10.669 ( -0.847 5.287 6.351) 8.306 10.782 ( -7.642 -2.998 -1.284) 8.309 10.862 ( -2.491 -0.145 -6.363) 6.834 11.009 ( 0.067 -4.702 -2.396) 5.277 11.136 ( 4.821 -1.816 -3.186) 6.057 11.182 ( -1.592 1.095 -5.688) 6.007 11.347 ( 1.484 -3.055 3.481) 4.863 11.683 ( -4.731 -2.089 -0.664) 5.214 11.826 ( -0.087 -5.627 2.489) 6.154 12.279 ( -1.793 0.891 6.691) 6.984 12.349 ( 2.619 -0.949 -0.515) 2.833 12.483 ( 0.806 -1.829 0.919) 2.199 12.534 ( 2.648 -6.954 0.852) 7.490 12.633 ( 2.050 -9.762 -5.274) 11.284 12.645 ( 0.200 -11.512 4.102) 12.222 12.720 ( -0.555 -2.611 -1.688) 3.159 12.756 ( 0.971 -1.781 -1.846) 2.743 13.360 ( -3.464 9.663 0.688) 10.289 13.462 ( 2.856 3.343 -4.345) 6.181 13.823 ( -3.003 0.944 -7.728) 8.344 13.877 ( -0.615 -0.938 -0.013) 1.122 13.929 ( 0.452 7.075 -4.028) 8.154 14.009 ( -2.508 21.518 9.336) 23.589 14.517 ( -1.945 -7.338 -6.973) 10.308 14.670 ( -0.089 -8.050 10.069) 12.892 15.348 ( -2.702 7.795 -3.984) 9.162 15.505 ( 2.219 9.000 1.027) 9.326 15.636 ( -2.312 -4.169 -9.858) 10.950 15.823 ( -0.364 -4.505 9.365) 10.398 ======================= Grid point 193 (104/111) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 7.697 4.027 -10.655) 13.747 1.640 ( 5.760 2.257 -3.341) 7.031 1.888 ( 7.830 2.016 1.503) 8.224 1.939 ( 7.402 2.257 -6.561) 10.146 2.040 ( 4.510 -6.078 2.801) 8.070 2.150 ( 4.036 -5.111 -1.762) 6.747 2.207 ( 0.431 3.051 2.971) 4.280 2.250 ( -0.305 1.637 1.955) 2.567 2.276 ( -2.960 2.039 0.357) 3.612 2.345 ( -1.356 0.603 -1.792) 2.327 2.535 ( -1.220 -1.251 0.131) 1.752 2.568 ( -1.205 -1.964 6.138) 6.556 2.615 ( -1.110 0.694 -0.976) 1.633 2.659 ( -2.845 1.454 -3.845) 4.999 2.705 ( 1.141 0.978 -5.680) 5.875 2.712 ( -0.299 -4.357 2.278) 4.925 2.828 ( -1.877 0.489 -2.517) 3.178 2.875 ( -0.101 1.399 -1.484) 2.042 2.958 ( -5.665 -2.254 0.230) 6.102 2.979 ( -1.962 -3.547 1.655) 4.378 3.358 ( -4.883 2.138 -0.561) 5.360 3.504 ( -1.351 -5.578 -0.101) 5.740 3.591 ( 1.106 -0.636 -3.068) 3.323 3.695 ( 5.866 -5.046 -5.748) 9.639 3.758 ( -0.932 4.667 4.689) 6.681 3.930 ( -3.478 -5.257 -0.695) 6.342 4.132 ( -1.741 4.034 -2.352) 4.984 4.312 ( 5.826 -3.997 4.873) 8.583 4.467 ( -2.047 6.984 4.021) 8.315 4.804 ( -2.236 -8.463 0.955) 8.805 5.056 ( -0.719 2.572 -0.464) 2.711 5.136 ( -1.260 0.296 -6.080) 6.216 5.293 ( -3.524 0.886 6.760) 7.675 5.327 ( -1.067 2.597 -7.583) 8.086 5.418 ( 2.619 -3.531 -12.917) 13.645 5.500 ( -2.448 1.072 4.068) 4.867 5.718 ( -1.966 0.025 4.368) 4.790 5.798 ( 1.686 -0.244 2.168) 2.758 5.826 ( 0.358 1.720 -0.074) 1.758 5.956 ( 4.145 -0.453 -6.483) 7.708 6.006 ( 3.497 3.887 -5.189) 7.367 6.345 ( 3.804 -7.127 4.028) 9.027 6.524 ( -0.571 4.629 0.812) 4.734 6.681 ( 1.883 4.223 0.646) 4.668 6.704 ( -0.380 -2.251 5.187) 5.668 6.804 ( -0.577 1.500 4.121) 4.423 7.002 ( -4.492 0.694 8.746) 9.857 7.018 ( -1.412 4.026 -6.208) 7.532 7.137 ( -6.940 -2.697 7.278) 10.411 7.252 ( -0.332 -1.576 2.579) 3.041 7.457 ( -1.190 2.401 0.728) 2.777 7.503 ( 1.180 -0.078 2.682) 2.931 7.600 ( -2.851 0.324 -2.186) 3.608 7.635 ( 5.931 1.070 1.246) 6.154 7.672 ( -1.756 -0.137 -1.838) 2.545 7.767 ( 6.046 -2.773 5.159) 8.417 7.817 ( 4.554 3.113 0.828) 5.578 7.938 ( -0.849 -0.591 2.027) 2.276 8.163 ( 7.643 3.273 1.067) 8.383 8.336 ( 3.005 -2.061 -1.604) 3.981 8.423 ( 0.452 5.440 0.097) 5.459 8.488 ( 5.920 7.331 1.729) 9.580 8.610 ( 9.753 3.830 -1.141) 10.541 8.735 ( 3.934 -4.190 3.090) 6.526 8.916 ( 1.954 7.668 2.434) 8.279 9.030 ( -0.794 2.526 -7.274) 7.741 9.174 ( -6.875 -3.005 0.760) 7.542 9.197 ( -6.193 -0.374 -1.397) 6.360 9.475 ( 0.615 -3.368 -3.368) 4.803 9.588 ( 4.284 -1.280 -3.218) 5.509 9.666 ( -4.143 -2.340 5.933) 7.605 9.739 ( 4.388 0.515 -1.101) 4.553 9.777 ( 1.762 2.385 -2.750) 4.045 9.879 ( 4.108 0.097 -4.151) 5.841 9.961 ( -0.506 1.160 -1.219) 1.757 10.085 ( -6.107 -8.586 5.231) 11.764 10.147 ( -5.681 0.380 3.619) 6.747 10.241 ( -3.843 -1.531 -13.074) 13.713 10.479 ( -6.366 0.537 0.496) 6.408 10.632 ( -6.991 -5.406 2.083) 9.079 10.687 ( -1.092 4.799 3.765) 6.196 10.783 ( -2.928 0.771 -2.995) 4.259 10.971 ( -2.944 -2.080 -5.367) 6.465 11.129 ( -1.240 0.167 -4.138) 4.323 11.184 ( 1.688 -0.261 -1.808) 2.487 11.361 ( -0.297 -4.521 0.071) 4.531 11.608 ( -2.846 -0.589 0.297) 2.921 11.797 ( -3.896 -4.989 2.158) 6.688 12.314 ( 0.226 1.457 9.327) 9.442 12.398 ( 2.832 -3.486 -0.479) 4.517 12.509 ( 1.337 -3.071 -1.084) 3.520 12.563 ( -1.051 -3.682 4.515) 5.920 12.648 ( 2.292 -7.503 -3.947) 8.782 12.692 ( 3.269 -7.335 -0.168) 8.032 12.708 ( -0.111 -6.766 -0.382) 6.778 12.759 ( 0.791 -1.996 -2.656) 3.415 13.316 ( -0.884 12.998 0.337) 13.032 13.483 ( 2.703 2.702 -7.077) 8.042 13.716 ( -2.851 4.668 -9.015) 10.545 13.833 ( -5.734 -4.852 2.362) 7.874 13.920 ( 1.587 7.653 -3.831) 8.705 14.002 ( -2.791 19.091 7.995) 20.885 14.449 ( -1.237 -6.264 -5.961) 8.735 14.692 ( -3.617 -8.741 9.161) 13.169 15.303 ( 0.162 5.961 -2.605) 6.507 15.511 ( -0.506 2.266 -4.046) 4.664 15.583 ( 1.027 1.780 -3.880) 4.390 15.833 ( -3.125 -4.203 6.559) 8.393 ======================= Grid point 194 (105/111) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 8.413 4.441 -8.390) 12.685 1.763 ( 8.101 1.785 -1.004) 8.355 1.993 ( 6.016 1.661 -6.778) 9.214 2.073 ( -5.055 3.991 -0.528) 6.462 2.093 ( 7.926 3.266 1.464) 8.696 2.189 ( 3.301 -5.491 -2.204) 6.776 2.209 ( -0.785 -1.445 -0.651) 1.768 2.252 ( 3.243 -1.174 -0.978) 3.585 2.283 ( 0.927 0.122 1.076) 1.426 2.345 ( 0.574 -1.912 3.662) 4.171 2.521 ( -3.405 0.805 1.414) 3.774 2.542 ( 0.162 -0.678 0.454) 0.832 2.575 ( -3.048 0.175 -2.198) 3.762 2.621 ( -0.216 0.374 1.830) 1.880 2.678 ( -0.803 0.744 -2.420) 2.656 2.723 ( -0.547 -0.598 0.887) 1.202 2.762 ( -2.342 0.999 -1.551) 2.982 2.828 ( -3.998 -0.765 1.646) 4.391 2.884 ( -2.903 -3.884 -0.783) 4.912 2.918 ( -4.139 -5.764 0.312) 7.103 3.360 ( 2.986 -0.668 2.589) 4.008 3.433 ( -3.362 -2.831 -1.130) 4.538 3.603 ( -0.744 4.174 -2.948) 5.164 3.719 ( 0.251 -0.135 0.228) 0.365 3.838 ( -3.843 -2.917 -3.115) 5.743 3.875 ( 9.416 -5.235 1.146) 10.834 4.064 ( -1.680 6.775 -6.915) 9.826 4.403 ( 0.007 -6.666 1.457) 6.823 4.488 ( 1.914 4.665 6.333) 8.095 4.760 ( -3.017 -8.378 2.321) 9.202 5.040 ( -1.717 2.467 -0.744) 3.096 5.090 ( 0.578 -0.557 -5.002) 5.066 5.226 ( -6.403 6.450 7.677) 11.897 5.260 ( -0.634 1.837 -10.864) 11.036 5.402 ( 1.190 -1.945 -5.495) 5.950 5.469 ( -3.200 -3.604 4.561) 6.635 5.745 ( 3.283 4.960 0.255) 5.954 5.839 ( 1.218 1.609 -0.902) 2.211 5.859 ( 3.212 0.101 0.029) 3.214 5.979 ( 0.322 10.212 -2.602) 10.543 6.078 ( 8.389 -7.946 -8.581) 14.393 6.397 ( -1.353 -9.211 5.043) 10.588 6.533 ( 1.248 4.486 0.983) 4.759 6.688 ( -2.802 0.196 1.619) 3.242 6.723 ( 1.335 -0.989 1.951) 2.563 6.814 ( 1.193 0.638 0.709) 1.527 6.954 ( -4.004 1.275 8.245) 9.255 7.002 ( -1.949 1.051 3.594) 4.222 7.082 ( -1.282 1.465 3.552) 4.051 7.238 ( -2.845 0.865 2.932) 4.176 7.370 ( -5.296 0.686 -1.522) 5.553 7.468 ( -4.751 -2.231 0.440) 5.267 7.600 ( 2.619 1.638 -1.931) 3.643 7.673 ( 1.289 -0.448 -1.064) 1.730 7.761 ( 6.273 1.515 -0.622) 6.483 7.909 ( 4.262 -2.777 4.155) 6.569 7.923 ( 3.371 -0.733 -1.900) 3.939 7.936 ( 0.350 0.387 7.052) 7.071 8.260 ( 1.787 2.004 4.026) 4.840 8.331 ( -0.544 0.153 1.470) 1.575 8.442 ( 3.278 8.321 2.349) 9.246 8.687 ( 8.978 6.604 -1.448) 11.239 8.739 ( 3.738 2.429 0.167) 4.461 8.842 ( 3.514 -4.704 -0.014) 5.871 8.955 ( -2.129 2.653 -3.007) 4.540 8.984 ( 1.871 -0.014 -1.599) 2.461 9.040 ( -4.976 7.700 2.144) 9.415 9.082 ( -3.352 4.066 3.801) 6.497 9.432 ( -5.243 -1.753 0.574) 5.558 9.556 ( -2.774 0.404 -4.537) 5.334 9.633 ( -2.011 -2.660 4.241) 5.394 9.797 ( 1.894 6.299 -8.103) 10.437 9.863 ( 4.579 1.935 -5.044) 7.082 9.890 ( 5.068 -2.489 -3.727) 6.765 9.979 ( -2.745 -1.396 8.666) 9.197 10.038 ( -1.947 -12.260 3.120) 12.800 10.084 ( 2.890 -4.689 -5.442) 7.743 10.155 ( 0.120 -3.161 -8.553) 9.119 10.368 ( -2.691 -0.735 -3.162) 4.217 10.518 ( -5.536 -6.947 0.531) 8.899 10.699 ( -3.305 3.539 7.012) 8.522 10.709 ( -0.488 3.034 -2.286) 3.830 10.829 ( -8.105 0.802 -4.884) 9.497 11.050 ( -4.495 -4.149 -6.578) 8.983 11.213 ( 1.349 3.415 3.401) 5.005 11.353 ( -0.026 -1.317 -2.625) 2.937 11.577 ( -0.779 -2.798 1.205) 3.145 11.722 ( -4.471 -4.143 1.187) 6.210 12.372 ( 0.362 1.618 8.147) 8.314 12.452 ( 2.878 -3.503 -0.595) 4.573 12.504 ( 0.750 -3.591 -5.772) 6.840 12.575 ( -1.035 -0.100 6.266) 6.352 12.673 ( 2.809 -5.593 -5.142) 8.100 12.700 ( -2.329 -7.450 5.418) 9.502 12.743 ( 2.157 -5.702 -1.007) 6.179 12.765 ( 1.443 -4.433 -2.469) 5.276 13.342 ( 3.433 13.331 -0.326) 13.770 13.489 ( 2.657 3.650 -8.360) 9.501 13.617 ( -2.707 5.023 -6.862) 8.924 13.704 ( -9.094 3.501 5.172) 11.032 13.945 ( 2.727 5.178 -3.171) 6.656 13.996 ( -1.891 11.244 5.508) 12.663 14.412 ( 0.994 -5.859 -5.286) 7.954 14.635 ( -6.585 -8.884 6.295) 12.725 15.323 ( 2.357 4.341 0.222) 4.944 15.479 ( -0.419 0.532 -3.643) 3.705 15.596 ( 1.973 2.083 -2.007) 3.501 15.786 ( -4.558 -3.508 3.451) 6.707 ======================= Grid point 195 (106/111) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 7.885 4.449 -5.162) 10.422 1.897 ( 0.541 1.896 1.841) 2.698 1.970 ( 0.406 3.279 1.554) 3.651 2.076 ( 4.615 1.744 -3.126) 5.840 2.101 ( -5.947 -0.899 -2.351) 6.458 2.156 ( -2.239 0.487 -2.050) 3.075 2.256 ( 4.117 -0.340 0.838) 4.215 2.299 ( -0.891 1.653 0.184) 1.887 2.358 ( 3.970 -3.399 0.856) 5.296 2.386 ( 2.445 -1.134 1.281) 2.984 2.505 ( -0.325 -0.332 -0.766) 0.896 2.515 ( -1.784 -0.072 -0.198) 1.797 2.563 ( -0.998 0.021 -0.856) 1.315 2.576 ( 3.762 -1.428 1.043) 4.157 2.659 ( -5.548 -0.976 0.252) 5.639 2.676 ( -1.882 1.565 -0.436) 2.486 2.747 ( -1.023 -1.016 2.417) 2.814 2.776 ( -3.521 -4.367 -3.029) 6.375 2.835 ( 2.325 -1.467 2.761) 3.897 2.883 ( -0.966 -3.408 -0.293) 3.554 3.389 ( -0.719 -0.712 1.627) 1.916 3.409 ( -0.749 -1.366 -0.578) 1.662 3.575 ( 1.891 -0.640 0.448) 2.046 3.673 ( -5.915 -3.162 -1.448) 6.862 3.832 ( 5.661 4.480 -0.145) 7.221 3.953 ( -4.100 4.752 -4.200) 7.552 4.118 ( 11.329 -1.875 0.121) 11.484 4.317 ( -7.966 -3.625 -1.257) 8.842 4.601 ( 5.414 -1.386 4.132) 6.950 4.706 ( -4.134 -5.372 0.752) 6.820 5.013 ( 0.670 -1.073 -0.924) 1.566 5.060 ( -2.896 -3.707 -1.071) 4.824 5.178 ( -0.477 6.740 0.794) 6.803 5.200 ( -1.270 5.356 -2.786) 6.169 5.403 ( 1.125 -3.521 -1.780) 4.103 5.430 ( -2.804 -4.772 2.455) 6.055 5.826 ( 4.418 9.402 -0.478) 10.400 5.869 ( 1.731 4.371 -1.066) 4.820 5.892 ( 0.594 3.846 0.285) 3.902 5.945 ( -2.481 5.945 -1.589) 6.635 6.214 ( 10.162 -7.670 -7.253) 14.652 6.349 ( -7.074 -8.524 6.329) 12.758 6.575 ( 2.498 1.758 0.587) 3.111 6.631 ( -3.417 -0.164 1.177) 3.618 6.773 ( 3.081 -2.352 0.260) 3.885 6.826 ( -0.918 -2.994 -1.697) 3.562 6.944 ( 0.131 2.147 2.722) 3.469 6.975 ( -3.476 0.524 5.935) 6.898 7.125 ( 4.709 3.251 -2.790) 6.367 7.191 ( -3.639 2.015 3.043) 5.154 7.297 ( -1.515 0.717 1.190) 2.056 7.350 ( -5.828 -0.525 -1.185) 5.970 7.646 ( 2.339 -0.642 -0.150) 2.430 7.677 ( -0.383 -0.929 -1.254) 1.607 7.853 ( 4.587 1.367 -3.896) 6.171 7.899 ( -2.993 0.551 4.070) 5.082 7.990 ( 2.026 -3.611 0.684) 4.197 7.999 ( 0.801 -2.160 2.106) 3.121 8.313 ( 1.191 1.125 4.494) 4.784 8.338 ( 0.395 0.518 -1.207) 1.371 8.562 ( 6.539 13.220 5.548) 15.758 8.738 ( -7.023 7.121 -5.932) 11.628 8.787 ( 3.436 3.660 -4.173) 6.528 8.789 ( 0.105 3.402 2.001) 3.948 8.892 ( -1.483 0.301 -0.208) 1.528 8.930 ( -4.072 -1.411 -1.237) 4.484 9.103 ( 6.571 2.943 5.171) 8.865 9.198 ( 3.244 0.463 5.698) 6.573 9.323 ( -2.595 2.998 1.885) 4.390 9.445 ( -5.391 2.248 -8.109) 9.994 9.657 ( 1.878 -2.698 4.879) 5.883 9.749 ( -2.878 3.073 -7.002) 8.170 9.835 ( 0.047 -4.664 2.625) 5.352 9.910 ( -2.296 -3.831 -7.242) 8.508 10.029 ( 1.109 0.487 7.589) 7.685 10.071 ( 2.658 0.630 -7.051) 7.562 10.136 ( 1.642 -9.645 3.899) 10.532 10.154 ( 5.249 -6.107 -3.952) 8.971 10.350 ( 2.431 -3.674 -4.504) 6.300 10.427 ( -5.084 -7.519 0.722) 9.105 10.641 ( -3.746 1.894 6.593) 7.816 10.665 ( -4.089 1.886 -4.356) 6.265 10.766 ( 4.067 3.532 2.332) 5.870 10.897 ( -6.702 -1.185 -6.079) 9.125 11.268 ( 1.414 2.931 5.655) 6.524 11.322 ( -0.804 1.797 -5.363) 5.713 11.594 ( 1.448 -5.339 2.099) 5.917 11.649 ( -3.282 -5.063 -0.743) 6.079 12.419 ( 0.425 3.268 6.073) 6.910 12.458 ( 0.132 4.365 -6.231) 7.609 12.526 ( 2.890 -7.091 -0.072) 7.658 12.572 ( -2.113 -4.728 2.268) 5.653 12.689 ( 0.890 -3.424 -1.824) 3.980 12.692 ( -0.950 -5.704 3.294) 6.655 12.767 ( 0.799 -6.225 0.167) 6.278 12.775 ( 0.557 -5.992 -1.575) 6.221 13.431 ( 5.778 11.003 -0.416) 12.435 13.497 ( 3.146 4.066 -7.972) 9.486 13.539 ( -2.738 6.432 -2.157) 7.315 13.566 ( -8.251 8.851 6.552) 13.760 13.975 ( 1.994 4.823 -2.570) 5.818 13.991 ( -1.433 6.833 3.396) 7.764 14.438 ( 4.662 -6.927 -4.384) 9.431 14.530 ( -7.049 -8.206 4.354) 11.661 15.382 ( 2.723 3.150 2.383) 4.797 15.442 ( -1.675 2.029 -3.192) 4.136 15.639 ( 3.378 -0.658 -0.882) 3.553 15.710 ( -4.466 -2.395 1.254) 5.220 ======================= Grid point 200 (107/111) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 -0.000 0.000) 0.000 1.782 ( -0.000 0.000 0.000) 0.000 1.907 ( -0.000 0.000 0.000) 0.000 1.907 ( -0.000 0.000 0.000) 0.000 2.128 ( -0.000 -0.000 0.000) 0.000 2.128 ( -0.000 0.000 0.000) 0.000 2.438 ( -0.000 -0.000 0.000) 0.000 2.438 ( -0.000 0.000 0.000) 0.000 2.567 ( -0.000 0.000 -0.000) 0.000 2.567 ( 0.000 -0.000 0.000) 0.000 2.676 ( 0.000 -0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.776 ( -0.000 -0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.816 ( -0.000 0.000 -0.000) 0.000 2.816 ( -0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 2.971 ( -0.000 0.000 0.000) 0.000 3.571 ( 0.000 -0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.690 ( -0.000 0.000 -0.000) 0.000 3.690 ( -0.000 0.000 0.000) 0.000 3.833 ( -0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 4.042 ( -0.000 0.000 0.000) 0.000 4.042 ( -0.000 0.000 0.000) 0.000 4.738 ( -0.000 -0.000 0.000) 0.000 4.738 ( -0.000 0.000 0.000) 0.000 5.083 ( -0.000 0.000 0.000) 0.000 5.083 ( -0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 -0.000) 0.000 5.395 ( -0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 -0.000) 0.000 5.433 ( -0.000 0.000 0.000) 0.000 5.797 ( -0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 -0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 5.996 ( -0.000 -0.000 0.000) 0.000 5.996 ( -0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 6.566 ( -0.000 0.000 0.000) 0.000 6.755 ( -0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 7.072 ( -0.000 -0.000 0.000) 0.000 7.072 ( -0.000 0.000 0.000) 0.000 7.294 ( -0.000 -0.000 0.000) 0.000 7.294 ( -0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.819 ( -0.000 -0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.868 ( -0.000 -0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.236 ( -0.000 -0.000 0.000) 0.000 8.236 ( -0.000 0.000 0.000) 0.000 8.664 ( -0.000 0.000 0.000) 0.000 8.664 ( -0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.081 ( -0.000 0.000 0.000) 0.000 9.116 ( 0.000 -0.000 0.000) 0.000 9.116 ( -0.000 -0.000 0.000) 0.000 9.507 ( 0.000 -0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.564 ( -0.000 -0.000 -0.000) 0.000 9.564 ( -0.000 0.000 -0.000) 0.000 9.993 ( 0.000 -0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.036 ( -0.000 -0.000 -0.000) 0.000 10.036 ( -0.000 0.000 -0.000) 0.000 10.395 ( 0.000 -0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.712 ( 0.000 0.000 0.000) 0.000 10.712 ( -0.000 0.000 0.000) 0.000 10.818 ( 0.000 -0.000 0.000) 0.000 10.818 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 11.275 ( 0.000 -0.000 0.000) 0.000 11.275 ( -0.000 0.000 0.000) 0.000 11.717 ( 0.000 -0.000 0.000) 0.000 11.717 ( 0.000 0.000 0.000) 0.000 12.286 ( -0.000 -0.000 -0.000) 0.000 12.286 ( 0.000 0.000 0.000) 0.000 12.465 ( 0.000 -0.000 -0.000) 0.000 12.465 ( 0.000 0.000 -0.000) 0.000 12.522 ( -0.000 -0.000 0.000) 0.000 12.522 ( -0.000 0.000 0.000) 0.000 12.723 ( 0.000 0.000 0.000) 0.000 12.723 ( -0.000 0.000 0.000) 0.000 13.493 ( 0.000 0.000 0.000) 0.000 13.493 ( 0.000 0.000 0.000) 0.000 13.799 ( 0.000 -0.000 0.000) 0.000 13.799 ( 0.000 0.000 0.000) 0.000 14.261 ( -0.000 -0.000 -0.000) 0.000 14.261 ( 0.000 0.000 0.000) 0.000 14.439 ( 0.000 -0.000 0.000) 0.000 14.439 ( 0.000 0.000 0.000) 0.000 15.597 ( -0.000 0.000 -0.000) 0.000 15.597 ( 0.000 0.000 0.000) 0.000 15.633 ( -0.000 -0.000 -0.000) 0.000 15.633 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 204 (108/111) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 2.698 -2.273 -5.299) 6.365 1.598 ( 2.698 2.273 -5.299) 6.365 1.823 ( 3.123 -4.526 3.444) 6.488 1.823 ( 3.123 4.526 3.444) 6.488 1.936 ( 4.979 -6.485 -5.645) 9.935 1.936 ( 4.979 6.485 -5.645) 9.935 2.183 ( 2.847 -1.868 5.839) 6.759 2.183 ( 2.847 1.868 5.839) 6.759 2.409 ( -2.214 -1.253 -1.859) 3.151 2.409 ( -2.214 1.253 -1.859) 3.151 2.564 ( -1.341 -0.754 0.386) 1.586 2.564 ( -1.341 0.754 0.386) 1.586 2.655 ( -1.587 -1.892 0.315) 2.490 2.655 ( -1.587 1.892 0.315) 2.490 2.726 ( -0.694 -4.688 -4.674) 6.657 2.726 ( -0.694 4.688 -4.674) 6.657 2.872 ( 1.894 -3.120 1.483) 3.940 2.872 ( 1.894 3.120 1.483) 3.940 2.959 ( -1.151 -4.179 0.313) 4.346 2.959 ( -1.151 4.179 0.313) 4.346 3.512 ( -5.002 -2.336 -1.385) 5.691 3.512 ( -5.002 2.336 -1.385) 5.691 3.624 ( -2.875 -4.547 -2.882) 6.104 3.624 ( -2.875 4.547 -2.882) 6.104 3.844 ( -0.125 -6.089 2.726) 6.672 3.844 ( -0.125 6.089 2.726) 6.672 4.136 ( 6.234 -0.341 1.317) 6.381 4.136 ( 6.234 0.341 1.317) 6.381 4.685 ( -4.650 -8.162 1.890) 9.582 4.685 ( -4.650 8.162 1.890) 9.582 5.105 ( 2.246 -2.711 -3.136) 4.714 5.105 ( 2.246 2.711 -3.136) 4.714 5.362 ( -2.036 -4.886 -0.800) 5.353 5.362 ( -2.036 4.886 -0.800) 5.353 5.455 ( 2.049 -5.339 -3.658) 6.788 5.455 ( 2.049 5.339 -3.658) 6.788 5.770 ( -2.663 -1.967 2.160) 3.953 5.770 ( -2.663 1.967 2.160) 3.953 5.891 ( -2.178 -2.505 -1.961) 3.855 5.891 ( -2.178 2.505 -1.961) 3.855 6.110 ( 5.156 -7.459 0.570) 9.086 6.110 ( 5.156 7.459 0.570) 9.086 6.590 ( 0.710 -3.048 4.334) 5.346 6.590 ( 0.710 3.048 4.334) 5.346 6.764 ( 1.269 -3.176 -1.340) 3.673 6.764 ( 1.269 3.176 -1.340) 3.673 7.068 ( -1.258 -3.000 1.943) 3.789 7.068 ( -1.258 3.000 1.943) 3.789 7.237 ( -4.602 -2.331 0.893) 5.235 7.237 ( -4.602 2.331 0.893) 5.235 7.430 ( 3.909 -1.436 4.397) 6.056 7.430 ( 3.909 1.436 4.397) 6.056 7.594 ( 1.415 -2.745 2.100) 3.735 7.594 ( 1.415 2.745 2.100) 3.735 7.721 ( -3.359 -6.753 -3.328) 8.244 7.721 ( -3.359 6.753 -3.328) 8.244 7.927 ( -5.840 -4.790 -1.081) 7.630 7.927 ( -5.840 4.790 -1.081) 7.630 8.087 ( 10.785 -6.503 0.436) 12.602 8.087 ( 10.785 6.503 0.436) 12.602 8.400 ( 9.249 -3.097 1.089) 9.814 8.400 ( 9.249 3.097 1.089) 9.814 8.638 ( -2.359 -2.780 0.857) 3.745 8.638 ( -2.359 2.780 0.857) 3.745 9.085 ( -0.102 -11.086 0.953) 11.128 9.085 ( -0.102 11.086 0.953) 11.128 9.143 ( 2.569 -11.607 -2.325) 12.113 9.143 ( 2.569 11.607 -2.325) 12.113 9.461 ( 0.099 -1.718 -5.549) 5.809 9.461 ( 0.099 1.718 -5.549) 5.809 9.636 ( 3.417 -0.528 3.062) 4.618 9.636 ( 3.417 0.528 3.062) 4.618 9.934 ( -1.991 -3.576 -6.091) 7.338 9.934 ( -1.991 3.576 -6.091) 7.338 10.013 ( -5.992 -8.778 8.357) 13.521 10.013 ( -5.992 8.778 8.357) 13.521 10.345 ( -4.661 -8.141 -3.341) 9.958 10.345 ( -4.661 8.141 -3.341) 9.958 10.638 ( -6.113 -11.120 5.194) 13.711 10.638 ( -6.113 11.120 5.194) 13.711 10.822 ( -1.459 -6.167 -3.563) 7.271 10.822 ( -1.459 6.167 -3.563) 7.271 10.979 ( 4.508 -5.828 -6.138) 9.589 10.979 ( 4.508 5.828 -6.138) 9.589 11.267 ( -0.919 -4.909 -0.532) 5.023 11.267 ( -0.919 4.909 -0.532) 5.023 11.708 ( -1.413 -5.090 1.398) 5.465 11.708 ( -1.413 5.090 1.398) 5.465 12.306 ( 0.680 -2.184 3.891) 4.513 12.306 ( 0.680 2.184 3.891) 4.513 12.461 ( -0.795 -0.511 3.362) 3.493 12.461 ( -0.795 0.511 3.362) 3.493 12.556 ( 4.009 -0.753 -4.242) 5.884 12.556 ( 4.009 0.753 -4.242) 5.884 12.718 ( -0.288 -1.591 -0.706) 1.765 12.718 ( -0.288 1.591 -0.706) 1.765 13.489 ( 0.185 -2.828 -1.588) 3.248 13.489 ( 0.185 2.828 -1.588) 3.248 13.783 ( -1.109 -1.242 -2.174) 2.739 13.783 ( -1.109 1.242 -2.174) 2.739 14.215 ( -2.273 -10.226 -4.955) 11.588 14.215 ( -2.273 10.226 -4.955) 11.588 14.464 ( -0.518 -10.977 6.897) 12.974 14.464 ( -0.518 10.977 6.897) 12.974 15.506 ( -3.044 -8.078 -7.376) 11.354 15.506 ( -3.044 8.078 -7.376) 11.354 15.696 ( 0.797 -8.898 6.116) 10.827 15.696 ( 0.797 8.898 6.116) 10.827 ======================= Grid point 206 (109/111) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 6.321 -2.157 -5.734) 8.802 1.652 ( 6.321 2.157 -5.734) 8.802 1.928 ( 7.109 -4.009 -2.272) 8.471 1.928 ( 7.109 4.009 -2.272) 8.471 2.031 ( 6.516 -6.665 -0.797) 9.355 2.031 ( 6.516 6.665 -0.797) 9.355 2.257 ( 1.228 -1.023 4.515) 4.789 2.257 ( 1.228 1.023 4.515) 4.789 2.331 ( -4.732 -2.163 -3.219) 6.119 2.331 ( -4.732 2.163 -3.219) 6.119 2.537 ( -1.296 -1.294 4.025) 4.422 2.537 ( -1.296 1.294 4.025) 4.422 2.632 ( -1.776 -2.073 0.665) 2.810 2.632 ( -1.776 2.073 0.665) 2.810 2.704 ( 0.944 -1.734 -4.624) 5.028 2.704 ( 0.944 1.734 -4.624) 5.028 2.867 ( -1.983 -3.300 -2.132) 4.401 2.867 ( -1.983 3.300 -2.132) 4.401 2.923 ( -3.762 -0.613 0.911) 3.919 2.923 ( -3.762 0.613 0.911) 3.919 3.419 ( -3.580 -3.930 0.306) 5.325 3.419 ( -3.580 3.930 0.306) 5.325 3.610 ( 4.240 -3.142 -4.811) 7.142 3.610 ( 4.240 3.142 -4.811) 7.142 3.836 ( -2.504 -4.425 2.579) 5.701 3.836 ( -2.504 4.425 2.579) 5.701 4.220 ( 1.944 -5.251 -0.326) 5.609 4.220 ( 1.944 5.251 -0.326) 5.609 4.628 ( -2.733 -9.688 4.023) 10.840 4.628 ( -2.733 9.688 4.023) 10.840 5.110 ( 0.340 -2.846 -4.262) 5.136 5.110 ( 0.340 2.846 -4.262) 5.136 5.332 ( 1.075 -4.479 -5.891) 7.478 5.332 ( 1.075 4.479 -5.891) 7.478 5.438 ( -3.954 -6.342 3.653) 8.319 5.438 ( -3.954 6.342 3.653) 8.319 5.768 ( 2.091 -3.304 0.792) 3.989 5.768 ( 2.091 3.304 0.792) 3.989 5.872 ( 2.142 -3.721 -5.191) 6.737 5.872 ( 2.142 3.721 -5.191) 6.737 6.180 ( 1.714 -10.123 1.196) 10.336 6.180 ( 1.714 10.123 1.196) 10.336 6.620 ( 0.093 -5.186 2.424) 5.725 6.620 ( 0.093 5.186 2.424) 5.725 6.781 ( 0.872 -4.205 -0.667) 4.346 6.781 ( 0.872 4.205 -0.667) 4.346 7.027 ( -5.762 -1.841 7.754) 9.834 7.027 ( -5.762 1.841 7.754) 9.834 7.182 ( -1.281 -5.333 2.252) 5.929 7.182 ( -1.281 5.333 2.252) 5.929 7.491 ( -1.945 -1.229 1.773) 2.905 7.491 ( -1.945 1.229 1.773) 2.905 7.629 ( -0.615 -2.304 -1.421) 2.776 7.629 ( -0.615 2.304 -1.421) 2.776 7.692 ( 6.190 -3.945 0.345) 7.348 7.692 ( 6.190 3.945 0.345) 7.348 7.895 ( 1.022 -3.890 2.333) 4.649 7.895 ( 1.022 3.890 2.333) 4.649 8.264 ( 5.331 -5.496 0.230) 7.660 8.264 ( 5.331 5.496 0.230) 7.660 8.540 ( 3.291 -4.003 5.061) 7.244 8.540 ( 3.291 4.003 5.061) 7.244 8.651 ( 6.132 -2.645 -2.294) 7.061 8.651 ( 6.132 2.645 -2.294) 7.061 9.054 ( -3.119 -4.013 -1.303) 5.247 9.054 ( -3.119 4.013 -1.303) 5.247 9.168 ( 0.638 -4.683 -1.200) 4.876 9.168 ( 0.638 4.683 -1.200) 4.876 9.493 ( 5.636 -6.280 -2.440) 8.784 9.493 ( 5.636 6.280 -2.440) 8.784 9.672 ( -2.414 -3.232 2.817) 4.920 9.672 ( -2.414 3.232 2.817) 4.920 9.879 ( -3.067 -5.606 -2.599) 6.899 9.879 ( -3.067 5.606 -2.599) 6.899 9.951 ( 0.432 -4.270 1.793) 4.651 9.951 ( 0.432 4.270 1.793) 4.651 10.197 ( -6.275 -3.255 -8.130) 10.773 10.197 ( -6.275 3.255 -8.130) 10.773 10.533 ( -7.975 -5.162 3.113) 9.997 10.533 ( -7.975 5.162 3.113) 9.997 10.776 ( -1.803 -2.847 0.876) 3.482 10.776 ( -1.803 2.847 0.876) 3.482 10.997 ( 0.819 -7.560 -9.617) 12.260 10.997 ( 0.819 7.560 -9.617) 12.260 11.253 ( -0.000 -5.324 1.793) 5.618 11.253 ( -0.000 5.324 1.793) 5.618 11.675 ( -2.646 -6.633 0.543) 7.161 11.675 ( -2.646 6.633 0.543) 7.161 12.341 ( 0.293 -2.108 4.710) 5.168 12.341 ( 0.293 2.108 4.710) 5.168 12.491 ( 2.026 -2.180 3.194) 4.366 12.491 ( 2.026 2.180 3.194) 4.366 12.599 ( 1.624 -1.843 -1.545) 2.902 12.599 ( 1.624 1.843 -1.545) 2.902 12.712 ( 0.897 -2.557 -2.384) 3.609 12.712 ( 0.897 2.557 -2.384) 3.609 13.490 ( 1.689 -4.557 -3.468) 5.971 13.490 ( 1.689 4.557 -3.468) 5.971 13.732 ( -2.751 -1.884 -2.421) 4.121 13.732 ( -2.751 1.884 -2.421) 4.121 14.147 ( -1.579 -10.480 -4.688) 11.589 14.147 ( -1.579 10.480 -4.688) 11.589 14.469 ( -3.293 -13.223 6.861) 15.257 14.469 ( -3.293 13.223 6.861) 15.257 15.432 ( -0.755 -6.982 -5.088) 8.673 15.432 ( -0.755 6.982 -5.088) 8.673 15.717 ( -1.395 -8.128 3.617) 9.005 15.717 ( -1.395 8.128 3.617) 9.005 ======================= Grid point 208 (110/111) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 7.945 -2.785 -4.611) 9.599 1.763 ( 7.945 2.785 -4.611) 9.599 2.048 ( 6.999 -4.922 -5.151) 9.988 2.048 ( 6.999 4.922 -5.151) 9.988 2.153 ( 3.343 -1.382 3.236) 4.853 2.153 ( 3.343 1.382 3.236) 4.853 2.204 ( -4.028 -2.444 -3.548) 5.898 2.204 ( -4.028 2.444 -3.548) 5.898 2.304 ( 1.991 -2.096 3.385) 4.452 2.304 ( 1.991 2.096 3.385) 4.452 2.530 ( -1.682 -0.606 -0.875) 1.991 2.530 ( -1.682 0.606 -0.875) 1.991 2.603 ( -2.389 -2.023 2.620) 4.082 2.603 ( -2.389 2.023 2.620) 4.082 2.711 ( 1.925 -1.867 -2.117) 3.417 2.711 ( 1.925 1.867 -2.117) 3.417 2.800 ( -3.659 -3.585 -1.523) 5.344 2.800 ( -3.659 3.585 -1.523) 5.344 2.830 ( -5.015 -2.247 1.437) 5.680 2.830 ( -5.015 2.247 1.437) 5.680 3.378 ( -1.137 -2.445 1.040) 2.890 3.378 ( -1.137 2.445 1.040) 2.890 3.691 ( 1.293 -4.367 -1.810) 4.901 3.691 ( 1.293 4.367 -1.810) 4.901 3.803 ( 2.368 -1.805 -0.759) 3.073 3.803 ( 2.368 1.805 -0.759) 3.073 4.228 ( 0.659 -10.220 -3.984) 10.989 4.228 ( 0.659 10.220 -3.984) 10.989 4.611 ( -2.190 -7.583 5.821) 9.807 4.611 ( -2.190 7.583 5.821) 9.807 5.071 ( -1.786 -1.237 -3.755) 4.339 5.071 ( -1.786 1.237 -3.755) 4.339 5.327 ( 2.150 -4.272 -8.131) 9.433 5.327 ( 2.150 4.272 -8.131) 9.433 5.366 ( -6.306 -6.068 7.819) 11.735 5.366 ( -6.306 6.068 7.819) 11.735 5.839 ( 4.491 -2.537 -0.147) 5.161 5.839 ( 4.491 2.537 -0.147) 5.161 5.919 ( 6.009 -7.908 -5.819) 11.511 5.919 ( 6.009 7.908 -5.819) 11.511 6.194 ( -0.941 -11.931 1.182) 12.026 6.194 ( -0.941 11.931 1.182) 12.026 6.622 ( -0.839 -4.832 1.203) 5.049 6.622 ( -0.839 4.832 1.203) 5.049 6.783 ( 0.029 -3.879 -1.187) 4.057 6.783 ( 0.029 3.879 -1.187) 4.057 6.975 ( -4.371 -1.443 9.875) 10.895 6.975 ( -4.371 1.443 9.875) 10.895 7.186 ( -0.250 -5.927 2.083) 6.287 7.186 ( -0.250 5.927 2.083) 6.287 7.410 ( -4.859 -3.274 -0.223) 5.864 7.410 ( -4.859 3.274 -0.223) 5.864 7.643 ( 1.449 -2.399 -2.498) 3.754 7.643 ( 1.449 2.399 -2.498) 3.754 7.820 ( 5.656 -4.513 0.680) 7.268 7.820 ( 5.656 4.513 0.680) 7.268 7.935 ( 0.736 -0.890 3.800) 3.971 7.935 ( 0.736 0.890 3.800) 3.971 8.305 ( 0.242 -2.434 2.383) 3.415 8.305 ( 0.242 2.434 2.383) 3.415 8.649 ( 5.403 -11.066 4.234) 13.022 8.649 ( 5.403 11.066 4.234) 13.022 8.770 ( 5.538 -2.501 -1.972) 6.388 8.770 ( 5.538 2.501 -1.972) 6.388 8.975 ( -3.576 -0.554 -2.040) 4.154 8.975 ( -3.576 0.554 -2.040) 4.154 9.167 ( -0.337 -2.207 2.947) 3.697 9.167 ( -0.337 2.207 2.947) 3.697 9.575 ( -7.050 -5.871 1.787) 9.347 9.575 ( -7.050 5.871 1.787) 9.347 9.597 ( 3.358 -17.448 0.733) 17.783 9.597 ( 3.358 17.448 0.733) 17.783 9.851 ( 2.169 -1.845 -3.966) 4.882 9.851 ( 2.169 1.845 -3.966) 4.882 9.996 ( 0.518 -3.568 1.247) 3.815 9.996 ( 0.518 3.568 1.247) 3.815 10.071 ( 1.717 -6.486 -13.220) 14.825 10.071 ( 1.717 6.486 -13.220) 14.825 10.395 ( -6.098 -4.546 -0.309) 7.613 10.395 ( -6.098 4.546 -0.309) 7.613 10.736 ( -5.233 -1.051 6.695) 8.562 10.736 ( -5.233 1.051 6.695) 8.562 10.921 ( -1.730 -8.338 -10.009) 13.142 10.921 ( -1.730 8.338 -10.009) 13.142 11.286 ( 1.392 -4.367 3.092) 5.529 11.286 ( 1.392 4.367 3.092) 5.529 11.615 ( -3.295 -5.746 -0.840) 6.677 11.615 ( -3.295 5.746 -0.840) 6.677 12.380 ( 1.982 -1.617 2.161) 3.348 12.380 ( 1.982 1.617 2.161) 3.348 12.558 ( 2.559 -4.781 2.474) 5.961 12.558 ( 2.559 4.781 2.474) 5.961 12.593 ( -2.320 -2.393 3.595) 4.902 12.593 ( -2.320 2.393 3.595) 4.902 12.722 ( 1.696 -1.290 -4.293) 4.793 12.722 ( 1.696 1.290 -4.293) 4.793 13.515 ( 3.488 -3.805 -5.657) 7.657 13.515 ( 3.488 3.805 -5.657) 7.657 13.660 ( -3.822 -2.165 0.430) 4.413 13.660 ( -3.822 2.165 0.430) 4.413 14.109 ( 0.051 -7.686 -3.153) 8.308 14.109 ( 0.051 7.686 -3.153) 8.308 14.420 ( -4.706 -11.665 4.103) 13.231 14.420 ( -4.706 11.665 4.103) 13.231 15.420 ( 1.281 -5.374 -1.794) 5.808 15.420 ( 1.281 5.374 -1.794) 5.808 15.692 ( -2.283 -6.224 1.112) 6.722 15.692 ( -2.283 6.224 1.112) 6.722 ======================= Grid point 210 (111/111) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 6.441 -3.596 -2.190) 7.695 1.886 ( 6.441 3.596 -2.190) 7.695 2.045 ( -5.599 -4.129 -0.999) 7.028 2.045 ( -5.599 4.129 -0.999) 7.028 2.132 ( 2.149 -2.676 -1.031) 3.584 2.132 ( 2.149 2.676 -1.031) 3.584 2.281 ( 5.036 -3.411 0.664) 6.119 2.281 ( 5.036 3.411 0.664) 6.119 2.349 ( -0.568 -2.797 0.447) 2.889 2.349 ( -0.568 2.797 0.447) 2.889 2.504 ( 0.268 -0.680 0.632) 0.967 2.504 ( 0.268 0.680 0.632) 0.967 2.568 ( -0.094 -0.317 -0.379) 0.503 2.568 ( -0.094 0.317 -0.379) 0.503 2.670 ( -6.017 -2.836 -1.894) 6.916 2.670 ( -6.017 2.836 -1.894) 6.916 2.726 ( -0.815 -1.185 0.726) 1.611 2.726 ( -0.815 1.185 0.726) 1.611 2.833 ( 1.699 -1.586 1.243) 2.636 2.833 ( 1.699 1.586 1.243) 2.636 3.385 ( 0.656 -0.700 1.855) 2.089 3.385 ( 0.656 0.700 1.855) 2.089 3.605 ( -4.398 -3.345 -1.988) 5.872 3.605 ( -4.398 3.345 -1.988) 5.872 3.934 ( 6.467 -5.506 1.156) 8.572 3.934 ( 6.467 5.506 1.156) 8.572 4.191 ( -1.757 -8.379 -4.728) 9.780 4.191 ( -1.757 8.379 -4.728) 9.780 4.619 ( -0.087 -3.368 4.000) 5.230 4.619 ( -0.087 3.368 4.000) 5.230 5.013 ( -1.779 -1.167 -2.275) 3.115 5.013 ( -1.779 1.167 -2.275) 3.115 5.305 ( -2.190 -2.414 1.137) 3.452 5.305 ( -2.190 2.414 1.137) 3.452 5.320 ( -0.116 -2.471 -0.815) 2.604 5.320 ( -0.116 2.471 -0.815) 2.604 5.913 ( 2.546 -1.016 -0.421) 2.773 5.913 ( 2.546 1.016 -0.421) 2.773 6.019 ( 6.330 -9.233 -3.621) 11.766 6.019 ( 6.330 9.233 -3.621) 11.766 6.157 ( -3.535 -10.401 1.874) 11.144 6.157 ( -3.535 10.401 1.874) 11.144 6.609 ( -0.818 -1.887 0.915) 2.251 6.609 ( -0.818 1.887 0.915) 2.251 6.778 ( 0.098 -2.108 -0.833) 2.269 6.778 ( 0.098 2.108 -0.833) 2.269 6.965 ( -1.227 -0.720 4.151) 4.389 6.965 ( -1.227 0.720 4.151) 4.389 7.196 ( 0.512 -2.454 1.135) 2.752 7.196 ( 0.512 2.454 1.135) 2.752 7.321 ( -3.600 -2.112 -0.500) 4.204 7.321 ( -3.600 2.112 -0.500) 4.204 7.647 ( 0.387 -1.289 -1.271) 1.851 7.647 ( 0.387 1.289 -1.271) 1.851 7.902 ( 2.723 -2.745 -0.599) 3.913 7.902 ( 2.723 2.745 -0.599) 3.913 7.956 ( -0.520 -2.088 2.538) 3.327 7.956 ( -0.520 2.088 2.538) 3.327 8.328 ( 0.522 -0.924 1.564) 1.890 8.328 ( 0.522 0.924 1.564) 1.890 8.754 ( 2.986 -3.881 1.520) 5.127 8.754 ( 2.986 3.881 1.520) 5.127 8.839 ( 2.664 -3.009 -0.222) 4.025 8.839 ( 2.664 3.009 -0.222) 4.025 8.902 ( -2.627 -1.105 -1.543) 3.241 8.902 ( -2.627 1.105 -1.543) 3.241 9.185 ( -0.475 -3.017 2.768) 4.122 9.185 ( -0.475 3.017 2.768) 4.122 9.494 ( -1.204 -9.459 3.361) 10.110 9.494 ( -1.204 9.459 3.361) 10.110 9.613 ( -1.476 -11.225 -3.371) 11.813 9.613 ( -1.476 11.225 -3.371) 11.813 9.823 ( -1.384 -3.227 1.018) 3.656 9.823 ( -1.384 3.227 1.018) 3.656 10.012 ( 0.256 -4.528 -8.863) 9.956 10.012 ( 0.256 4.528 -8.863) 9.956 10.108 ( 5.750 -1.339 0.095) 5.904 10.108 ( 5.750 1.339 0.095) 5.904 10.325 ( -1.676 -2.165 -0.183) 2.744 10.325 ( -1.676 2.165 -0.183) 2.744 10.668 ( -3.814 -0.902 3.663) 5.365 10.668 ( -3.814 0.902 3.663) 5.365 10.848 ( -1.181 -4.165 -4.039) 5.920 10.848 ( -1.181 4.165 -4.039) 5.920 11.324 ( 0.803 -2.239 1.738) 2.946 11.324 ( 0.803 2.239 1.738) 2.946 11.557 ( -1.739 -2.746 -0.868) 3.364 11.557 ( -1.739 2.746 -0.868) 3.364 12.437 ( 2.830 -1.179 -0.212) 3.073 12.437 ( 2.830 1.179 -0.212) 3.073 12.547 ( -2.579 -1.736 1.393) 3.407 12.547 ( -2.579 1.736 1.393) 3.407 12.619 ( 0.766 -0.759 3.440) 3.605 12.619 ( 0.766 0.759 3.440) 3.605 12.721 ( 0.527 -0.566 -2.939) 3.039 12.721 ( 0.527 0.566 -2.939) 3.039 13.552 ( 3.716 -1.148 -6.450) 7.532 13.552 ( 3.716 1.148 -6.450) 7.532 13.600 ( -3.705 -1.931 4.358) 6.037 13.600 ( -3.705 1.931 4.358) 6.037 14.109 ( 0.773 -3.370 -1.125) 3.636 14.109 ( 0.773 3.370 -1.125) 3.636 14.358 ( -2.618 -5.394 1.291) 6.133 14.358 ( -2.618 5.394 1.291) 6.133 15.442 ( 1.029 -2.396 -0.062) 2.609 15.442 ( 1.029 2.396 -0.062) 2.609 15.657 ( -1.281 -2.677 -0.059) 2.968 15.657 ( -1.281 2.677 -0.059) 2.968 =================== 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 3/31104 10.0 1558.741 1021.122 1159.374 0.000 106.591 0.000 3/31104 20.0 264.052 173.070 233.663 0.000 -4.693 0.000 3/31104 30.0 96.354 56.769 87.304 0.000 -4.027 0.000 3/31104 40.0 50.974 28.936 46.963 0.000 -2.597 0.000 3/31104 50.0 32.131 18.104 30.058 0.000 -1.841 0.000 3/31104 60.0 22.354 12.657 21.201 0.000 -1.408 0.000 3/31104 70.0 16.599 9.491 15.936 0.000 -1.133 0.000 3/31104 80.0 12.927 7.476 12.546 0.000 -0.944 0.000 3/31104 90.0 10.446 6.111 10.236 0.000 -0.807 0.000 3/31104 100.0 8.693 5.142 8.590 0.000 -0.704 0.000 3/31104 110.0 7.407 4.427 7.374 0.000 -0.624 0.000 3/31104 120.0 6.434 3.882 6.447 0.000 -0.559 0.000 3/31104 130.0 5.679 3.457 5.723 0.000 -0.507 0.000 3/31104 140.0 5.078 3.117 5.144 0.000 -0.464 0.000 3/31104 150.0 4.591 2.840 4.673 0.000 -0.428 0.000 3/31104 160.0 4.189 2.611 4.281 0.000 -0.397 0.000 3/31104 170.0 3.852 2.417 3.952 0.000 -0.370 0.000 3/31104 180.0 3.566 2.252 3.671 0.000 -0.347 0.000 3/31104 190.0 3.321 2.110 3.429 0.000 -0.326 0.000 3/31104 200.0 3.108 1.985 3.218 0.000 -0.308 0.000 3/31104 210.0 2.922 1.876 3.033 0.000 -0.292 0.000 3/31104 220.0 2.758 1.778 2.868 0.000 -0.278 0.000 3/31104 230.0 2.611 1.691 2.722 0.000 -0.265 0.000 3/31104 240.0 2.480 1.613 2.590 0.000 -0.253 0.000 3/31104 250.0 2.362 1.542 2.471 0.000 -0.242 0.000 3/31104 260.0 2.255 1.477 2.363 0.000 -0.232 0.000 3/31104 270.0 2.158 1.418 2.264 0.000 -0.223 0.000 3/31104 280.0 2.069 1.364 2.174 0.000 -0.215 0.000 3/31104 290.0 1.988 1.314 2.091 0.000 -0.207 0.000 3/31104 300.0 1.913 1.267 2.014 0.000 -0.200 0.000 3/31104 310.0 1.843 1.224 1.943 0.000 -0.193 0.000 3/31104 320.0 1.779 1.184 1.876 0.000 -0.187 0.000 3/31104 330.0 1.719 1.146 1.815 0.000 -0.181 0.000 3/31104 340.0 1.663 1.111 1.757 0.000 -0.175 0.000 3/31104 350.0 1.611 1.078 1.703 0.000 -0.170 0.000 3/31104 360.0 1.562 1.047 1.653 0.000 -0.165 0.000 3/31104 370.0 1.516 1.018 1.605 0.000 -0.161 0.000 3/31104 380.0 1.473 0.991 1.560 0.000 -0.156 0.000 3/31104 390.0 1.432 0.965 1.518 0.000 -0.152 0.000 3/31104 400.0 1.393 0.940 1.478 0.000 -0.148 0.000 3/31104 410.0 1.357 0.916 1.440 0.000 -0.145 0.000 3/31104 420.0 1.322 0.894 1.404 0.000 -0.141 0.000 3/31104 430.0 1.289 0.873 1.370 0.000 -0.138 0.000 3/31104 440.0 1.258 0.853 1.337 0.000 -0.135 0.000 3/31104 450.0 1.229 0.833 1.306 0.000 -0.132 0.000 3/31104 460.0 1.200 0.815 1.277 0.000 -0.129 0.000 3/31104 470.0 1.174 0.797 1.248 0.000 -0.126 0.000 3/31104 480.0 1.148 0.781 1.221 0.000 -0.123 0.000 3/31104 490.0 1.123 0.764 1.196 0.000 -0.121 0.000 3/31104 500.0 1.100 0.749 1.171 0.000 -0.118 0.000 3/31104 510.0 1.077 0.734 1.147 0.000 -0.116 0.000 3/31104 520.0 1.055 0.720 1.124 0.000 -0.114 0.000 3/31104 530.0 1.035 0.706 1.103 0.000 -0.111 0.000 3/31104 540.0 1.015 0.693 1.082 0.000 -0.109 0.000 3/31104 550.0 0.995 0.680 1.061 0.000 -0.107 0.000 3/31104 560.0 0.977 0.668 1.042 0.000 -0.105 0.000 3/31104 570.0 0.959 0.656 1.023 0.000 -0.103 0.000 3/31104 580.0 0.942 0.645 1.005 0.000 -0.102 0.000 3/31104 590.0 0.926 0.634 0.988 0.000 -0.100 0.000 3/31104 600.0 0.910 0.623 0.971 0.000 -0.098 0.000 3/31104 610.0 0.894 0.613 0.954 0.000 -0.097 0.000 3/31104 620.0 0.879 0.603 0.939 0.000 -0.095 0.000 3/31104 630.0 0.865 0.593 0.924 0.000 -0.094 0.000 3/31104 640.0 0.851 0.584 0.909 0.000 -0.092 0.000 3/31104 650.0 0.838 0.575 0.895 0.000 -0.091 0.000 3/31104 660.0 0.825 0.566 0.881 0.000 -0.089 0.000 3/31104 670.0 0.812 0.558 0.867 0.000 -0.088 0.000 3/31104 680.0 0.800 0.549 0.854 0.000 -0.087 0.000 3/31104 690.0 0.788 0.541 0.842 0.000 -0.085 0.000 3/31104 700.0 0.776 0.534 0.830 0.000 -0.084 0.000 3/31104 710.0 0.765 0.526 0.818 0.000 -0.083 0.000 3/31104 720.0 0.754 0.519 0.806 0.000 -0.082 0.000 3/31104 730.0 0.744 0.512 0.795 0.000 -0.081 0.000 3/31104 740.0 0.733 0.505 0.784 0.000 -0.080 0.000 3/31104 750.0 0.723 0.498 0.773 0.000 -0.078 0.000 3/31104 760.0 0.714 0.491 0.763 0.000 -0.077 0.000 3/31104 770.0 0.704 0.485 0.753 0.000 -0.076 0.000 3/31104 780.0 0.695 0.479 0.743 0.000 -0.075 0.000 3/31104 790.0 0.686 0.473 0.734 0.000 -0.074 0.000 3/31104 800.0 0.677 0.467 0.724 0.000 -0.074 0.000 3/31104 810.0 0.669 0.461 0.715 0.000 -0.073 0.000 3/31104 820.0 0.660 0.455 0.707 0.000 -0.072 0.000 3/31104 830.0 0.652 0.450 0.698 0.000 -0.071 0.000 3/31104 840.0 0.644 0.444 0.690 0.000 -0.070 0.000 3/31104 850.0 0.637 0.439 0.681 0.000 -0.069 0.000 3/31104 860.0 0.629 0.434 0.673 0.000 -0.068 0.000 3/31104 870.0 0.622 0.429 0.666 0.000 -0.068 0.000 3/31104 880.0 0.615 0.424 0.658 0.000 -0.067 0.000 3/31104 890.0 0.608 0.419 0.650 0.000 -0.066 0.000 3/31104 900.0 0.601 0.415 0.643 0.000 -0.065 0.000 3/31104 910.0 0.594 0.410 0.636 0.000 -0.065 0.000 3/31104 920.0 0.588 0.406 0.629 0.000 -0.064 0.000 3/31104 930.0 0.581 0.401 0.622 0.000 -0.063 0.000 3/31104 940.0 0.575 0.397 0.616 0.000 -0.063 0.000 3/31104 950.0 0.569 0.393 0.609 0.000 -0.062 0.000 3/31104 960.0 0.563 0.389 0.603 0.000 -0.061 0.000 3/31104 970.0 0.557 0.385 0.596 0.000 -0.061 0.000 3/31104 980.0 0.551 0.381 0.590 0.000 -0.060 0.000 3/31104 990.0 0.546 0.377 0.584 0.000 -0.059 0.000 3/31104 1000.0 0.540 0.373 0.578 0.000 -0.059 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m948.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:48:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|