----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:47:33]------------------------- 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: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.887769175092497 -4.442220825000000 0.000000000000000 b 4.887769175092497 4.442220825000000 0.000000000000000 c -1.573730032030469 0.000000000000000 4.736275851819754 Atomic positions (fractional): *1 O 0.40638012155247 0.89422327930609 0.19272150376196 15.999 2 O 0.10577672069391 0.59361987844753 0.30727849623804 15.999 3 O 0.59361987844753 0.10577672069391 0.80727849623804 15.999 4 O 0.89422327930609 0.40638012155247 0.69272150376196 15.999 *5 O 0.80312972461157 0.94979613794634 0.34272383548294 15.999 6 O 0.05020386205366 0.19687027538843 0.15727616451706 15.999 *7 O 0.35727062456549 0.34584864049924 0.54050624661582 15.999 8 O 0.65415135950076 0.64272937543451 0.95949375338418 15.999 9 O 0.64272937543451 0.65415135950076 0.45949375338418 15.999 10 O 0.34584864049924 0.35727062456550 0.04050624661582 15.999 11 O 0.94979613794634 0.80312972461157 0.84272383548294 15.999 12 O 0.19687027538843 0.05020386205366 0.65727616451706 15.999 *13 P 0.62388258555850 0.80439042951404 0.24273688638162 30.974 14 P 0.19560957048596 0.37611741444150 0.25726311361838 30.974 15 P 0.37611741444150 0.19560957048596 0.75726311361838 30.974 16 P 0.80439042951404 0.62388258555850 0.74273688638162 30.974 *17 Zn 0.11715114975970 0.88284885024030 0.25000000000000 65.380 18 Zn 0.88284885024030 0.11715114975970 0.75000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.775538350184993 0.000000000000000 0.000000000000000 b 0.000000000000000 8.884441649999999 0.000000000000000 c -1.573730032030469 0.000000000000000 4.736275851819754 Atomic positions (fractional): *1 O 0.15030170042928 0.74392157887681 0.19272150376196 15.999 > 1 2 O 0.84969829957072 0.74392157887681 0.30727849623804 15.999 > 2 3 O 0.84969829957072 0.25607842112319 0.80727849623804 15.999 > 3 4 O 0.15030170042928 0.25607842112319 0.69272150376196 15.999 > 4 *5 O 0.37646293127896 0.57333320666739 0.34272383548294 15.999 > 5 6 O 0.62353706872104 0.57333320666739 0.15727616451706 15.999 > 6 *7 O 0.85155963253237 0.49428900796687 0.54050624661582 15.999 > 7 8 O 0.14844036746763 0.49428900796687 0.95949375338418 15.999 > 8 9 O 0.14844036746763 0.50571099203313 0.45949375338418 15.999 > 9 10 O 0.85155963253237 0.50571099203313 0.04050624661582 15.999 > 10 11 O 0.37646293127896 0.42666679333261 0.84272383548294 15.999 > 11 12 O 0.62353706872104 0.42666679333261 0.65727616451706 15.999 > 12 13 O 0.65030170042928 0.24392157887681 0.19272150376196 15.999 > 1 14 O 0.34969829957072 0.24392157887681 0.30727849623804 15.999 > 2 15 O 0.34969829957072 0.75607842112319 0.80727849623804 15.999 > 3 16 O 0.65030170042928 0.75607842112319 0.69272150376196 15.999 > 4 17 O 0.87646293127896 0.07333320666739 0.34272383548294 15.999 > 5 18 O 0.12353706872104 0.07333320666739 0.15727616451706 15.999 > 6 19 O 0.35155963253237 0.99428900796687 0.54050624661582 15.999 > 7 20 O 0.64844036746763 0.99428900796687 0.95949375338418 15.999 > 8 21 O 0.64844036746763 0.00571099203313 0.45949375338418 15.999 > 9 22 O 0.35155963253237 0.00571099203313 0.04050624661582 15.999 > 10 23 O 0.87646293127896 0.92666679333261 0.84272383548294 15.999 > 11 24 O 0.12353706872104 0.92666679333261 0.65727616451706 15.999 > 12 *25 P 0.21413650753627 0.59025392197777 0.24273688638162 30.974 > 13 26 P 0.78586349246373 0.59025392197777 0.25726311361838 30.974 > 14 27 P 0.78586349246373 0.40974607802223 0.75726311361838 30.974 > 15 28 P 0.21413650753627 0.40974607802223 0.74273688638162 30.974 > 16 29 P 0.71413650753627 0.09025392197777 0.24273688638162 30.974 > 13 30 P 0.28586349246373 0.09025392197777 0.25726311361838 30.974 > 14 31 P 0.28586349246373 0.90974607802223 0.75726311361838 30.974 > 15 32 P 0.71413650753627 0.90974607802223 0.74273688638162 30.974 > 16 *33 Zn 0.00000000000000 0.88284885024030 0.25000000000000 65.380 > 17 34 Zn 0.00000000000000 0.11715114975970 0.75000000000000 65.380 > 18 35 Zn 0.50000000000000 0.38284885024030 0.25000000000000 65.380 > 17 36 Zn 0.50000000000000 0.61715114975970 0.75000000000000 65.380 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.775538350184993 0.000000000000000 0.000000000000000 b 0.000000000000000 17.768883299999999 0.000000000000000 c -3.147460064060938 0.000000000000000 9.472551703639509 Atomic positions (fractional): *1 O 0.15030170042928 0.37196078943841 0.09636075188098 15.999 > 1 2 O 0.15030170042928 0.87196078943841 0.09636075188098 15.999 > 1 3 O 0.15030170042928 0.37196078943841 0.59636075188098 15.999 > 1 4 O 0.15030170042928 0.87196078943841 0.59636075188098 15.999 > 1 5 O 0.84969829957072 0.37196078943841 0.15363924811902 15.999 > 2 6 O 0.84969829957072 0.87196078943841 0.15363924811902 15.999 > 2 7 O 0.84969829957072 0.37196078943841 0.65363924811902 15.999 > 2 8 O 0.84969829957072 0.87196078943841 0.65363924811902 15.999 > 2 9 O 0.84969829957072 0.12803921056159 0.40363924811902 15.999 > 3 10 O 0.84969829957072 0.62803921056159 0.40363924811902 15.999 > 3 11 O 0.84969829957072 0.12803921056159 0.90363924811902 15.999 > 3 12 O 0.84969829957072 0.62803921056159 0.90363924811902 15.999 > 3 13 O 0.15030170042928 0.12803921056159 0.34636075188098 15.999 > 4 14 O 0.15030170042928 0.62803921056159 0.34636075188098 15.999 > 4 15 O 0.15030170042928 0.12803921056159 0.84636075188098 15.999 > 4 16 O 0.15030170042928 0.62803921056159 0.84636075188098 15.999 > 4 *17 O 0.37646293127896 0.28666660333369 0.17136191774147 15.999 > 5 18 O 0.37646293127896 0.78666660333369 0.17136191774147 15.999 > 5 19 O 0.37646293127896 0.28666660333369 0.67136191774147 15.999 > 5 20 O 0.37646293127896 0.78666660333369 0.67136191774147 15.999 > 5 21 O 0.62353706872104 0.28666660333369 0.07863808225853 15.999 > 6 22 O 0.62353706872104 0.78666660333369 0.07863808225853 15.999 > 6 23 O 0.62353706872104 0.28666660333369 0.57863808225853 15.999 > 6 24 O 0.62353706872104 0.78666660333369 0.57863808225853 15.999 > 6 *25 O 0.85155963253237 0.24714450398344 0.27025312330791 15.999 > 7 26 O 0.85155963253237 0.74714450398344 0.27025312330791 15.999 > 7 27 O 0.85155963253237 0.24714450398344 0.77025312330791 15.999 > 7 28 O 0.85155963253237 0.74714450398344 0.77025312330791 15.999 > 7 29 O 0.14844036746763 0.24714450398344 0.47974687669209 15.999 > 8 30 O 0.14844036746763 0.74714450398344 0.47974687669209 15.999 > 8 31 O 0.14844036746763 0.24714450398344 0.97974687669209 15.999 > 8 32 O 0.14844036746763 0.74714450398344 0.97974687669209 15.999 > 8 33 O 0.14844036746763 0.25285549601656 0.22974687669209 15.999 > 9 34 O 0.14844036746763 0.75285549601656 0.22974687669209 15.999 > 9 35 O 0.14844036746763 0.25285549601656 0.72974687669209 15.999 > 9 36 O 0.14844036746763 0.75285549601656 0.72974687669209 15.999 > 9 37 O 0.85155963253237 0.25285549601656 0.02025312330791 15.999 > 10 38 O 0.85155963253237 0.75285549601656 0.02025312330791 15.999 > 10 39 O 0.85155963253237 0.25285549601656 0.52025312330791 15.999 > 10 40 O 0.85155963253237 0.75285549601656 0.52025312330791 15.999 > 10 41 O 0.37646293127896 0.21333339666631 0.42136191774147 15.999 > 11 42 O 0.37646293127896 0.71333339666631 0.42136191774147 15.999 > 11 43 O 0.37646293127896 0.21333339666631 0.92136191774147 15.999 > 11 44 O 0.37646293127896 0.71333339666631 0.92136191774147 15.999 > 11 45 O 0.62353706872104 0.21333339666631 0.32863808225853 15.999 > 12 46 O 0.62353706872104 0.71333339666631 0.32863808225853 15.999 > 12 47 O 0.62353706872104 0.21333339666631 0.82863808225853 15.999 > 12 48 O 0.62353706872104 0.71333339666631 0.82863808225853 15.999 > 12 49 O 0.65030170042928 0.12196078943841 0.09636075188098 15.999 > 1 50 O 0.65030170042928 0.62196078943841 0.09636075188098 15.999 > 1 51 O 0.65030170042928 0.12196078943841 0.59636075188098 15.999 > 1 52 O 0.65030170042928 0.62196078943841 0.59636075188098 15.999 > 1 53 O 0.34969829957072 0.12196078943841 0.15363924811902 15.999 > 2 54 O 0.34969829957072 0.62196078943841 0.15363924811902 15.999 > 2 55 O 0.34969829957072 0.12196078943841 0.65363924811902 15.999 > 2 56 O 0.34969829957072 0.62196078943841 0.65363924811902 15.999 > 2 57 O 0.34969829957072 0.37803921056159 0.40363924811902 15.999 > 3 58 O 0.34969829957072 0.87803921056159 0.40363924811902 15.999 > 3 59 O 0.34969829957072 0.37803921056159 0.90363924811902 15.999 > 3 60 O 0.34969829957072 0.87803921056159 0.90363924811902 15.999 > 3 61 O 0.65030170042928 0.37803921056159 0.34636075188098 15.999 > 4 62 O 0.65030170042928 0.87803921056159 0.34636075188098 15.999 > 4 63 O 0.65030170042928 0.37803921056159 0.84636075188098 15.999 > 4 64 O 0.65030170042928 0.87803921056159 0.84636075188098 15.999 > 4 65 O 0.87646293127896 0.03666660333369 0.17136191774147 15.999 > 5 66 O 0.87646293127896 0.53666660333369 0.17136191774147 15.999 > 5 67 O 0.87646293127896 0.03666660333369 0.67136191774147 15.999 > 5 68 O 0.87646293127896 0.53666660333369 0.67136191774147 15.999 > 5 69 O 0.12353706872104 0.03666660333369 0.07863808225853 15.999 > 6 70 O 0.12353706872104 0.53666660333369 0.07863808225853 15.999 > 6 71 O 0.12353706872104 0.03666660333369 0.57863808225853 15.999 > 6 72 O 0.12353706872104 0.53666660333369 0.57863808225853 15.999 > 6 73 O 0.35155963253237 0.49714450398344 0.27025312330791 15.999 > 7 74 O 0.35155963253237 0.99714450398344 0.27025312330791 15.999 > 7 75 O 0.35155963253237 0.49714450398344 0.77025312330791 15.999 > 7 76 O 0.35155963253237 0.99714450398344 0.77025312330791 15.999 > 7 77 O 0.64844036746763 0.49714450398344 0.47974687669209 15.999 > 8 78 O 0.64844036746763 0.99714450398344 0.47974687669209 15.999 > 8 79 O 0.64844036746763 0.49714450398344 0.97974687669209 15.999 > 8 80 O 0.64844036746763 0.99714450398344 0.97974687669209 15.999 > 8 81 O 0.64844036746763 0.00285549601656 0.22974687669209 15.999 > 9 82 O 0.64844036746763 0.50285549601656 0.22974687669209 15.999 > 9 83 O 0.64844036746763 0.00285549601656 0.72974687669209 15.999 > 9 84 O 0.64844036746763 0.50285549601656 0.72974687669209 15.999 > 9 85 O 0.35155963253237 0.00285549601656 0.02025312330791 15.999 > 10 86 O 0.35155963253237 0.50285549601656 0.02025312330791 15.999 > 10 87 O 0.35155963253237 0.00285549601656 0.52025312330791 15.999 > 10 88 O 0.35155963253237 0.50285549601656 0.52025312330791 15.999 > 10 89 O 0.87646293127896 0.46333339666631 0.42136191774147 15.999 > 11 90 O 0.87646293127896 0.96333339666631 0.42136191774147 15.999 > 11 91 O 0.87646293127896 0.46333339666631 0.92136191774147 15.999 > 11 92 O 0.87646293127896 0.96333339666631 0.92136191774147 15.999 > 11 93 O 0.12353706872104 0.46333339666631 0.32863808225853 15.999 > 12 94 O 0.12353706872104 0.96333339666631 0.32863808225853 15.999 > 12 95 O 0.12353706872104 0.46333339666631 0.82863808225853 15.999 > 12 96 O 0.12353706872104 0.96333339666631 0.82863808225853 15.999 > 12 *97 P 0.21413650753627 0.29512696098889 0.12136844319081 30.974 > 13 98 P 0.21413650753627 0.79512696098889 0.12136844319081 30.974 > 13 99 P 0.21413650753627 0.29512696098889 0.62136844319081 30.974 > 13 100 P 0.21413650753627 0.79512696098889 0.62136844319081 30.974 > 13 101 P 0.78586349246373 0.29512696098889 0.12863155680919 30.974 > 14 102 P 0.78586349246373 0.79512696098889 0.12863155680919 30.974 > 14 103 P 0.78586349246373 0.29512696098889 0.62863155680919 30.974 > 14 104 P 0.78586349246373 0.79512696098889 0.62863155680919 30.974 > 14 105 P 0.78586349246373 0.20487303901111 0.37863155680919 30.974 > 15 106 P 0.78586349246373 0.70487303901111 0.37863155680919 30.974 > 15 107 P 0.78586349246373 0.20487303901111 0.87863155680919 30.974 > 15 108 P 0.78586349246373 0.70487303901111 0.87863155680919 30.974 > 15 109 P 0.21413650753627 0.20487303901111 0.37136844319081 30.974 > 16 110 P 0.21413650753627 0.70487303901111 0.37136844319081 30.974 > 16 111 P 0.21413650753627 0.20487303901111 0.87136844319081 30.974 > 16 112 P 0.21413650753627 0.70487303901111 0.87136844319081 30.974 > 16 113 P 0.71413650753627 0.04512696098889 0.12136844319081 30.974 > 13 114 P 0.71413650753627 0.54512696098889 0.12136844319081 30.974 > 13 115 P 0.71413650753627 0.04512696098889 0.62136844319081 30.974 > 13 116 P 0.71413650753627 0.54512696098889 0.62136844319081 30.974 > 13 117 P 0.28586349246373 0.04512696098889 0.12863155680919 30.974 > 14 118 P 0.28586349246373 0.54512696098889 0.12863155680919 30.974 > 14 119 P 0.28586349246373 0.04512696098889 0.62863155680919 30.974 > 14 120 P 0.28586349246373 0.54512696098889 0.62863155680919 30.974 > 14 121 P 0.28586349246373 0.45487303901111 0.37863155680919 30.974 > 15 122 P 0.28586349246373 0.95487303901111 0.37863155680919 30.974 > 15 123 P 0.28586349246373 0.45487303901111 0.87863155680919 30.974 > 15 124 P 0.28586349246373 0.95487303901111 0.87863155680919 30.974 > 15 125 P 0.71413650753627 0.45487303901111 0.37136844319081 30.974 > 16 126 P 0.71413650753627 0.95487303901111 0.37136844319081 30.974 > 16 127 P 0.71413650753627 0.45487303901111 0.87136844319081 30.974 > 16 128 P 0.71413650753627 0.95487303901111 0.87136844319081 30.974 > 16 *129 Zn 0.00000000000000 0.44142442512015 0.12500000000000 65.380 > 17 130 Zn 0.00000000000000 0.94142442512015 0.12500000000000 65.380 > 17 131 Zn 0.00000000000000 0.44142442512015 0.62500000000000 65.380 > 17 132 Zn 0.00000000000000 0.94142442512015 0.62500000000000 65.380 > 17 133 Zn 0.00000000000000 0.05857557487985 0.37500000000000 65.380 > 18 134 Zn 0.00000000000000 0.55857557487985 0.37500000000000 65.380 > 18 135 Zn 0.00000000000000 0.05857557487985 0.87500000000000 65.380 > 18 136 Zn 0.00000000000000 0.55857557487985 0.87500000000000 65.380 > 18 137 Zn 0.50000000000000 0.19142442512015 0.12500000000000 65.380 > 17 138 Zn 0.50000000000000 0.69142442512015 0.12500000000000 65.380 > 17 139 Zn 0.50000000000000 0.19142442512015 0.62500000000000 65.380 > 17 140 Zn 0.50000000000000 0.69142442512015 0.62500000000000 65.380 > 17 141 Zn 0.50000000000000 0.30857557487985 0.37500000000000 65.380 > 18 142 Zn 0.50000000000000 0.80857557487985 0.37500000000000 65.380 > 18 143 Zn 0.50000000000000 0.30857557487985 0.87500000000000 65.380 > 18 144 Zn 0.50000000000000 0.80857557487985 0.87500000000000 65.380 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8975465 0.0000000 0.0022059 0.0000000 2.9803163 0.0000000 0.0022088 0.0000000 2.9368578 -------------------------- Born effective charges -------------------------- 1 O -1.3973422 0.6548396 0.0110280 0.5620200 -2.1144367 0.0654153 0.0289739 0.0846619 -1.1165313 2 O -1.3973422 -0.6548396 0.0110280 -0.5620200 -2.1144367 -0.0654153 0.0289739 -0.0846619 -1.1165313 3 O -1.3973422 0.6548396 0.0110280 0.5620200 -2.1144367 0.0654153 0.0289739 0.0846619 -1.1165313 4 O -1.3973422 -0.6548396 0.0110280 -0.5620200 -2.1144367 -0.0654153 0.0289739 -0.0846619 -1.1165313 5 O -1.9329817 0.3769689 -0.3147273 0.2130944 -1.2654626 -0.1283718 -0.3320441 -0.0974981 -1.5494630 6 O -1.9329817 -0.3769689 -0.3147273 -0.2130944 -1.2654626 0.1283718 -0.3320441 0.0974981 -1.5494630 7 O -1.2388095 -0.3640857 0.4842290 -0.2955891 -1.5506614 0.9702744 0.4359069 1.1664785 -2.5476494 8 O -1.2388095 0.3640857 0.4842290 0.2955891 -1.5506614 -0.9702744 0.4359069 -1.1664785 -2.5476494 9 O -1.2388095 -0.3640857 0.4842290 -0.2955891 -1.5506614 0.9702744 0.4359069 1.1664785 -2.5476494 10 O -1.2388095 0.3640857 0.4842290 0.2955891 -1.5506614 -0.9702744 0.4359069 -1.1664785 -2.5476494 11 O -1.9329817 -0.3769689 -0.3147273 -0.2130944 -1.2654626 0.1283718 -0.3320441 0.0974981 -1.5494630 12 O -1.9329817 0.3769689 -0.3147273 0.2130944 -1.2654626 -0.1283718 -0.3320441 -0.0974981 -1.5494630 13 P 3.1986558 -0.5292704 -0.2937536 0.0817691 3.6737268 -0.0416235 -0.2217481 -0.0390372 4.1061798 14 P 3.1986558 0.5292704 -0.2937536 -0.0817691 3.6737268 0.0416235 -0.2217481 0.0390372 4.1061798 15 P 3.1986558 -0.5292704 -0.2937536 0.0817691 3.6737268 -0.0416235 -0.2217481 -0.0390372 4.1061798 16 P 3.1986558 0.5292704 -0.2937536 -0.0817691 3.6737268 0.0416235 -0.2217481 0.0390372 4.1061798 17 Zn 2.7409554 0.0000000 0.2264477 0.0000000 2.5136679 0.0000000 0.1778228 0.0000000 2.2149278 18 Zn 2.7409554 0.0000000 0.2264477 0.0000000 2.5136679 0.0000000 0.1778228 0.0000000 2.2149278 ---------------------------------------------------------------------------- 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: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.163 Solver_block: 200 / 560 - Time: 1.164 Solver_block: 300 / 560 - Time: 1.165 Solver_block: 400 / 560 - Time: 1.161 Solver_block: 500 / 560 - Time: 1.162 Solver_block: 560 / 560 - Time: 0.732 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.668 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:48:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:48:11]------------------------- 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): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.887769175092497 -4.442220825000000 0.000000000000000 b 4.887769175092497 4.442220825000000 0.000000000000000 c -1.573730032030469 0.000000000000000 4.736275851819754 Atomic positions (fractional): 1 O 0.40638012155247 0.89422327930609 0.19272150376196 15.999 2 O 0.10577672069391 0.59361987844753 0.30727849623804 15.999 3 O 0.59361987844753 0.10577672069391 0.80727849623804 15.999 4 O 0.89422327930609 0.40638012155247 0.69272150376196 15.999 5 O 0.80312972461157 0.94979613794634 0.34272383548294 15.999 6 O 0.05020386205366 0.19687027538843 0.15727616451706 15.999 7 O 0.35727062456549 0.34584864049924 0.54050624661582 15.999 8 O 0.65415135950076 0.64272937543451 0.95949375338418 15.999 9 O 0.64272937543451 0.65415135950076 0.45949375338418 15.999 10 O 0.34584864049924 0.35727062456550 0.04050624661582 15.999 11 O 0.94979613794634 0.80312972461157 0.84272383548294 15.999 12 O 0.19687027538843 0.05020386205366 0.65727616451706 15.999 13 P 0.62388258555850 0.80439042951404 0.24273688638162 30.974 14 P 0.19560957048596 0.37611741444150 0.25726311361838 30.974 15 P 0.37611741444150 0.19560957048596 0.75726311361838 30.974 16 P 0.80439042951404 0.62388258555850 0.74273688638162 30.974 17 Zn 0.11715114975970 0.88284885024030 0.25000000000000 65.380 18 Zn 0.88284885024030 0.11715114975970 0.75000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.775538350184993 0.000000000000000 0.000000000000000 b 0.000000000000000 17.768883299999999 0.000000000000000 c -3.147460064060938 0.000000000000000 9.472551703639509 Atomic positions (fractional): 1 O 0.15030170042928 0.37196078943841 0.09636075188098 15.999 > 1 2 O 0.15030170042928 0.87196078943841 0.09636075188098 15.999 > 1 3 O 0.15030170042928 0.37196078943841 0.59636075188098 15.999 > 1 4 O 0.15030170042928 0.87196078943841 0.59636075188098 15.999 > 1 5 O 0.84969829957072 0.37196078943841 0.15363924811902 15.999 > 5 6 O 0.84969829957072 0.87196078943841 0.15363924811902 15.999 > 5 7 O 0.84969829957072 0.37196078943841 0.65363924811902 15.999 > 5 8 O 0.84969829957072 0.87196078943841 0.65363924811902 15.999 > 5 9 O 0.84969829957072 0.12803921056159 0.40363924811902 15.999 > 9 10 O 0.84969829957072 0.62803921056159 0.40363924811902 15.999 > 9 11 O 0.84969829957072 0.12803921056159 0.90363924811902 15.999 > 9 12 O 0.84969829957072 0.62803921056159 0.90363924811902 15.999 > 9 13 O 0.15030170042928 0.12803921056159 0.34636075188098 15.999 > 13 14 O 0.15030170042928 0.62803921056159 0.34636075188098 15.999 > 13 15 O 0.15030170042928 0.12803921056159 0.84636075188098 15.999 > 13 16 O 0.15030170042928 0.62803921056159 0.84636075188098 15.999 > 13 17 O 0.37646293127896 0.28666660333369 0.17136191774147 15.999 > 17 18 O 0.37646293127896 0.78666660333369 0.17136191774147 15.999 > 17 19 O 0.37646293127896 0.28666660333369 0.67136191774147 15.999 > 17 20 O 0.37646293127896 0.78666660333369 0.67136191774147 15.999 > 17 21 O 0.62353706872104 0.28666660333369 0.07863808225853 15.999 > 21 22 O 0.62353706872104 0.78666660333369 0.07863808225853 15.999 > 21 23 O 0.62353706872104 0.28666660333369 0.57863808225853 15.999 > 21 24 O 0.62353706872104 0.78666660333369 0.57863808225853 15.999 > 21 25 O 0.85155963253237 0.24714450398344 0.27025312330791 15.999 > 25 26 O 0.85155963253237 0.74714450398344 0.27025312330791 15.999 > 25 27 O 0.85155963253237 0.24714450398344 0.77025312330791 15.999 > 25 28 O 0.85155963253237 0.74714450398344 0.77025312330791 15.999 > 25 29 O 0.14844036746763 0.24714450398344 0.47974687669209 15.999 > 29 30 O 0.14844036746763 0.74714450398344 0.47974687669209 15.999 > 29 31 O 0.14844036746763 0.24714450398344 0.97974687669209 15.999 > 29 32 O 0.14844036746763 0.74714450398344 0.97974687669209 15.999 > 29 33 O 0.14844036746763 0.25285549601656 0.22974687669209 15.999 > 33 34 O 0.14844036746763 0.75285549601656 0.22974687669209 15.999 > 33 35 O 0.14844036746763 0.25285549601656 0.72974687669209 15.999 > 33 36 O 0.14844036746763 0.75285549601656 0.72974687669209 15.999 > 33 37 O 0.85155963253237 0.25285549601656 0.02025312330791 15.999 > 37 38 O 0.85155963253237 0.75285549601656 0.02025312330791 15.999 > 37 39 O 0.85155963253237 0.25285549601656 0.52025312330791 15.999 > 37 40 O 0.85155963253237 0.75285549601656 0.52025312330791 15.999 > 37 41 O 0.37646293127896 0.21333339666631 0.42136191774147 15.999 > 41 42 O 0.37646293127896 0.71333339666631 0.42136191774147 15.999 > 41 43 O 0.37646293127896 0.21333339666631 0.92136191774147 15.999 > 41 44 O 0.37646293127896 0.71333339666631 0.92136191774147 15.999 > 41 45 O 0.62353706872104 0.21333339666631 0.32863808225853 15.999 > 45 46 O 0.62353706872104 0.71333339666631 0.32863808225853 15.999 > 45 47 O 0.62353706872104 0.21333339666631 0.82863808225853 15.999 > 45 48 O 0.62353706872104 0.71333339666631 0.82863808225853 15.999 > 45 49 O 0.65030170042928 0.12196078943841 0.09636075188098 15.999 > 1 50 O 0.65030170042928 0.62196078943841 0.09636075188098 15.999 > 1 51 O 0.65030170042928 0.12196078943841 0.59636075188098 15.999 > 1 52 O 0.65030170042928 0.62196078943841 0.59636075188098 15.999 > 1 53 O 0.34969829957072 0.12196078943841 0.15363924811902 15.999 > 5 54 O 0.34969829957072 0.62196078943841 0.15363924811902 15.999 > 5 55 O 0.34969829957072 0.12196078943841 0.65363924811902 15.999 > 5 56 O 0.34969829957072 0.62196078943841 0.65363924811902 15.999 > 5 57 O 0.34969829957072 0.37803921056159 0.40363924811902 15.999 > 9 58 O 0.34969829957072 0.87803921056159 0.40363924811902 15.999 > 9 59 O 0.34969829957072 0.37803921056159 0.90363924811902 15.999 > 9 60 O 0.34969829957072 0.87803921056159 0.90363924811902 15.999 > 9 61 O 0.65030170042928 0.37803921056159 0.34636075188098 15.999 > 13 62 O 0.65030170042928 0.87803921056159 0.34636075188098 15.999 > 13 63 O 0.65030170042928 0.37803921056159 0.84636075188098 15.999 > 13 64 O 0.65030170042928 0.87803921056159 0.84636075188098 15.999 > 13 65 O 0.87646293127896 0.03666660333369 0.17136191774147 15.999 > 17 66 O 0.87646293127896 0.53666660333369 0.17136191774147 15.999 > 17 67 O 0.87646293127896 0.03666660333369 0.67136191774147 15.999 > 17 68 O 0.87646293127896 0.53666660333369 0.67136191774147 15.999 > 17 69 O 0.12353706872104 0.03666660333369 0.07863808225853 15.999 > 21 70 O 0.12353706872104 0.53666660333369 0.07863808225853 15.999 > 21 71 O 0.12353706872104 0.03666660333369 0.57863808225853 15.999 > 21 72 O 0.12353706872104 0.53666660333369 0.57863808225853 15.999 > 21 73 O 0.35155963253237 0.49714450398344 0.27025312330791 15.999 > 25 74 O 0.35155963253237 0.99714450398344 0.27025312330791 15.999 > 25 75 O 0.35155963253237 0.49714450398344 0.77025312330791 15.999 > 25 76 O 0.35155963253237 0.99714450398344 0.77025312330791 15.999 > 25 77 O 0.64844036746763 0.49714450398344 0.47974687669209 15.999 > 29 78 O 0.64844036746763 0.99714450398344 0.47974687669209 15.999 > 29 79 O 0.64844036746763 0.49714450398344 0.97974687669209 15.999 > 29 80 O 0.64844036746763 0.99714450398344 0.97974687669209 15.999 > 29 81 O 0.64844036746763 0.00285549601656 0.22974687669209 15.999 > 33 82 O 0.64844036746763 0.50285549601656 0.22974687669209 15.999 > 33 83 O 0.64844036746763 0.00285549601656 0.72974687669209 15.999 > 33 84 O 0.64844036746763 0.50285549601656 0.72974687669209 15.999 > 33 85 O 0.35155963253237 0.00285549601656 0.02025312330791 15.999 > 37 86 O 0.35155963253237 0.50285549601656 0.02025312330791 15.999 > 37 87 O 0.35155963253237 0.00285549601656 0.52025312330791 15.999 > 37 88 O 0.35155963253237 0.50285549601656 0.52025312330791 15.999 > 37 89 O 0.87646293127896 0.46333339666631 0.42136191774147 15.999 > 41 90 O 0.87646293127896 0.96333339666631 0.42136191774147 15.999 > 41 91 O 0.87646293127896 0.46333339666631 0.92136191774147 15.999 > 41 92 O 0.87646293127896 0.96333339666631 0.92136191774147 15.999 > 41 93 O 0.12353706872104 0.46333339666631 0.32863808225853 15.999 > 45 94 O 0.12353706872104 0.96333339666631 0.32863808225853 15.999 > 45 95 O 0.12353706872104 0.46333339666631 0.82863808225853 15.999 > 45 96 O 0.12353706872104 0.96333339666631 0.82863808225853 15.999 > 45 97 P 0.21413650753627 0.29512696098889 0.12136844319081 30.974 > 97 98 P 0.21413650753627 0.79512696098889 0.12136844319081 30.974 > 97 99 P 0.21413650753627 0.29512696098889 0.62136844319081 30.974 > 97 100 P 0.21413650753627 0.79512696098889 0.62136844319081 30.974 > 97 101 P 0.78586349246373 0.29512696098889 0.12863155680919 30.974 > 101 102 P 0.78586349246373 0.79512696098889 0.12863155680919 30.974 > 101 103 P 0.78586349246373 0.29512696098889 0.62863155680919 30.974 > 101 104 P 0.78586349246373 0.79512696098889 0.62863155680919 30.974 > 101 105 P 0.78586349246373 0.20487303901111 0.37863155680919 30.974 > 105 106 P 0.78586349246373 0.70487303901111 0.37863155680919 30.974 > 105 107 P 0.78586349246373 0.20487303901111 0.87863155680919 30.974 > 105 108 P 0.78586349246373 0.70487303901111 0.87863155680919 30.974 > 105 109 P 0.21413650753627 0.20487303901111 0.37136844319081 30.974 > 109 110 P 0.21413650753627 0.70487303901111 0.37136844319081 30.974 > 109 111 P 0.21413650753627 0.20487303901111 0.87136844319081 30.974 > 109 112 P 0.21413650753627 0.70487303901111 0.87136844319081 30.974 > 109 113 P 0.71413650753627 0.04512696098889 0.12136844319081 30.974 > 97 114 P 0.71413650753627 0.54512696098889 0.12136844319081 30.974 > 97 115 P 0.71413650753627 0.04512696098889 0.62136844319081 30.974 > 97 116 P 0.71413650753627 0.54512696098889 0.62136844319081 30.974 > 97 117 P 0.28586349246373 0.04512696098889 0.12863155680919 30.974 > 101 118 P 0.28586349246373 0.54512696098889 0.12863155680919 30.974 > 101 119 P 0.28586349246373 0.04512696098889 0.62863155680919 30.974 > 101 120 P 0.28586349246373 0.54512696098889 0.62863155680919 30.974 > 101 121 P 0.28586349246373 0.45487303901111 0.37863155680919 30.974 > 105 122 P 0.28586349246373 0.95487303901111 0.37863155680919 30.974 > 105 123 P 0.28586349246373 0.45487303901111 0.87863155680919 30.974 > 105 124 P 0.28586349246373 0.95487303901111 0.87863155680919 30.974 > 105 125 P 0.71413650753627 0.45487303901111 0.37136844319081 30.974 > 109 126 P 0.71413650753627 0.95487303901111 0.37136844319081 30.974 > 109 127 P 0.71413650753627 0.45487303901111 0.87136844319081 30.974 > 109 128 P 0.71413650753627 0.95487303901111 0.87136844319081 30.974 > 109 129 Zn 0.00000000000000 0.44142442512015 0.12500000000000 65.380 > 129 130 Zn 0.00000000000000 0.94142442512015 0.12500000000000 65.380 > 129 131 Zn 0.00000000000000 0.44142442512015 0.62500000000000 65.380 > 129 132 Zn 0.00000000000000 0.94142442512015 0.62500000000000 65.380 > 129 133 Zn 0.00000000000000 0.05857557487985 0.37500000000000 65.380 > 133 134 Zn 0.00000000000000 0.55857557487985 0.37500000000000 65.380 > 133 135 Zn 0.00000000000000 0.05857557487985 0.87500000000000 65.380 > 133 136 Zn 0.00000000000000 0.55857557487985 0.87500000000000 65.380 > 133 137 Zn 0.50000000000000 0.19142442512015 0.12500000000000 65.380 > 129 138 Zn 0.50000000000000 0.69142442512015 0.12500000000000 65.380 > 129 139 Zn 0.50000000000000 0.19142442512015 0.62500000000000 65.380 > 129 140 Zn 0.50000000000000 0.69142442512015 0.62500000000000 65.380 > 129 141 Zn 0.50000000000000 0.30857557487985 0.37500000000000 65.380 > 133 142 Zn 0.50000000000000 0.80857557487985 0.37500000000000 65.380 > 133 143 Zn 0.50000000000000 0.30857557487985 0.87500000000000 65.380 > 133 144 Zn 0.50000000000000 0.80857557487985 0.87500000000000 65.380 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8975465 0.0000000 0.0022059 0.0000000 2.9803163 0.0000000 0.0022088 0.0000000 2.9368578 -------------------------- Born effective charges -------------------------- 1 O -1.3973422 0.6548396 0.0110280 0.5620200 -2.1144367 0.0654153 0.0289739 0.0846619 -1.1165313 2 O -1.3973422 -0.6548396 0.0110280 -0.5620200 -2.1144367 -0.0654153 0.0289739 -0.0846619 -1.1165313 3 O -1.3973422 0.6548396 0.0110280 0.5620200 -2.1144367 0.0654153 0.0289739 0.0846619 -1.1165313 4 O -1.3973422 -0.6548396 0.0110280 -0.5620200 -2.1144367 -0.0654153 0.0289739 -0.0846619 -1.1165313 5 O -1.9329817 0.3769689 -0.3147273 0.2130944 -1.2654626 -0.1283718 -0.3320441 -0.0974981 -1.5494630 6 O -1.9329817 -0.3769689 -0.3147273 -0.2130944 -1.2654626 0.1283718 -0.3320441 0.0974981 -1.5494630 7 O -1.2388095 -0.3640857 0.4842290 -0.2955891 -1.5506614 0.9702744 0.4359069 1.1664785 -2.5476494 8 O -1.2388095 0.3640857 0.4842290 0.2955891 -1.5506614 -0.9702744 0.4359069 -1.1664785 -2.5476494 9 O -1.2388095 -0.3640857 0.4842290 -0.2955891 -1.5506614 0.9702744 0.4359069 1.1664785 -2.5476494 10 O -1.2388095 0.3640857 0.4842290 0.2955891 -1.5506614 -0.9702744 0.4359069 -1.1664785 -2.5476494 11 O -1.9329817 -0.3769689 -0.3147273 -0.2130944 -1.2654626 0.1283718 -0.3320441 0.0974981 -1.5494630 12 O -1.9329817 0.3769689 -0.3147273 0.2130944 -1.2654626 -0.1283718 -0.3320441 -0.0974981 -1.5494630 13 P 3.1986558 -0.5292704 -0.2937536 0.0817691 3.6737268 -0.0416235 -0.2217481 -0.0390372 4.1061798 14 P 3.1986558 0.5292704 -0.2937536 -0.0817691 3.6737268 0.0416235 -0.2217481 0.0390372 4.1061798 15 P 3.1986558 -0.5292704 -0.2937536 0.0817691 3.6737268 -0.0416235 -0.2217481 -0.0390372 4.1061798 16 P 3.1986558 0.5292704 -0.2937536 -0.0817691 3.6737268 0.0416235 -0.2217481 0.0390372 4.1061798 17 Zn 2.7409554 0.0000000 0.2264477 0.0000000 2.5136679 0.0000000 0.1778228 0.0000000 2.2149278 18 Zn 2.7409554 0.0000000 0.2264477 0.0000000 2.5136679 0.0000000 0.1778228 0.0000000 2.2149278 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 17, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 25, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 97, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 129, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (zx) 0.00000005 (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 2026-01-07 22:48:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:48:44]------------------------- 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): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.887769175092497 -4.442220825000000 0.000000000000000 b 4.887769175092497 4.442220825000000 0.000000000000000 c -1.573730032030469 0.000000000000000 4.736275851819754 Atomic positions (fractional): 1 O 0.40638012155247 0.89422327930609 0.19272150376196 15.999 2 O 0.10577672069391 0.59361987844753 0.30727849623804 15.999 3 O 0.59361987844753 0.10577672069391 0.80727849623804 15.999 4 O 0.89422327930609 0.40638012155247 0.69272150376196 15.999 5 O 0.80312972461157 0.94979613794634 0.34272383548294 15.999 6 O 0.05020386205366 0.19687027538843 0.15727616451706 15.999 7 O 0.35727062456549 0.34584864049924 0.54050624661582 15.999 8 O 0.65415135950076 0.64272937543451 0.95949375338418 15.999 9 O 0.64272937543451 0.65415135950076 0.45949375338418 15.999 10 O 0.34584864049924 0.35727062456550 0.04050624661582 15.999 11 O 0.94979613794634 0.80312972461157 0.84272383548294 15.999 12 O 0.19687027538843 0.05020386205366 0.65727616451706 15.999 13 P 0.62388258555850 0.80439042951404 0.24273688638162 30.974 14 P 0.19560957048596 0.37611741444150 0.25726311361838 30.974 15 P 0.37611741444150 0.19560957048596 0.75726311361838 30.974 16 P 0.80439042951404 0.62388258555850 0.74273688638162 30.974 17 Zn 0.11715114975970 0.88284885024030 0.25000000000000 65.380 18 Zn 0.88284885024030 0.11715114975970 0.75000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.775538350184993 0.000000000000000 0.000000000000000 b 0.000000000000000 17.768883299999999 0.000000000000000 c -3.147460064060938 0.000000000000000 9.472551703639509 Atomic positions (fractional): 1 O 0.15030170042928 0.37196078943841 0.09636075188098 15.999 > 1 2 O 0.15030170042928 0.87196078943841 0.09636075188098 15.999 > 1 3 O 0.15030170042928 0.37196078943841 0.59636075188098 15.999 > 1 4 O 0.15030170042928 0.87196078943841 0.59636075188098 15.999 > 1 5 O 0.84969829957072 0.37196078943841 0.15363924811902 15.999 > 5 6 O 0.84969829957072 0.87196078943841 0.15363924811902 15.999 > 5 7 O 0.84969829957072 0.37196078943841 0.65363924811902 15.999 > 5 8 O 0.84969829957072 0.87196078943841 0.65363924811902 15.999 > 5 9 O 0.84969829957072 0.12803921056159 0.40363924811902 15.999 > 9 10 O 0.84969829957072 0.62803921056159 0.40363924811902 15.999 > 9 11 O 0.84969829957072 0.12803921056159 0.90363924811902 15.999 > 9 12 O 0.84969829957072 0.62803921056159 0.90363924811902 15.999 > 9 13 O 0.15030170042928 0.12803921056159 0.34636075188098 15.999 > 13 14 O 0.15030170042928 0.62803921056159 0.34636075188098 15.999 > 13 15 O 0.15030170042928 0.12803921056159 0.84636075188098 15.999 > 13 16 O 0.15030170042928 0.62803921056159 0.84636075188098 15.999 > 13 17 O 0.37646293127896 0.28666660333369 0.17136191774147 15.999 > 17 18 O 0.37646293127896 0.78666660333369 0.17136191774147 15.999 > 17 19 O 0.37646293127896 0.28666660333369 0.67136191774147 15.999 > 17 20 O 0.37646293127896 0.78666660333369 0.67136191774147 15.999 > 17 21 O 0.62353706872104 0.28666660333369 0.07863808225853 15.999 > 21 22 O 0.62353706872104 0.78666660333369 0.07863808225853 15.999 > 21 23 O 0.62353706872104 0.28666660333369 0.57863808225853 15.999 > 21 24 O 0.62353706872104 0.78666660333369 0.57863808225853 15.999 > 21 25 O 0.85155963253237 0.24714450398344 0.27025312330791 15.999 > 25 26 O 0.85155963253237 0.74714450398344 0.27025312330791 15.999 > 25 27 O 0.85155963253237 0.24714450398344 0.77025312330791 15.999 > 25 28 O 0.85155963253237 0.74714450398344 0.77025312330791 15.999 > 25 29 O 0.14844036746763 0.24714450398344 0.47974687669209 15.999 > 29 30 O 0.14844036746763 0.74714450398344 0.47974687669209 15.999 > 29 31 O 0.14844036746763 0.24714450398344 0.97974687669209 15.999 > 29 32 O 0.14844036746763 0.74714450398344 0.97974687669209 15.999 > 29 33 O 0.14844036746763 0.25285549601656 0.22974687669209 15.999 > 33 34 O 0.14844036746763 0.75285549601656 0.22974687669209 15.999 > 33 35 O 0.14844036746763 0.25285549601656 0.72974687669209 15.999 > 33 36 O 0.14844036746763 0.75285549601656 0.72974687669209 15.999 > 33 37 O 0.85155963253237 0.25285549601656 0.02025312330791 15.999 > 37 38 O 0.85155963253237 0.75285549601656 0.02025312330791 15.999 > 37 39 O 0.85155963253237 0.25285549601656 0.52025312330791 15.999 > 37 40 O 0.85155963253237 0.75285549601656 0.52025312330791 15.999 > 37 41 O 0.37646293127896 0.21333339666631 0.42136191774147 15.999 > 41 42 O 0.37646293127896 0.71333339666631 0.42136191774147 15.999 > 41 43 O 0.37646293127896 0.21333339666631 0.92136191774147 15.999 > 41 44 O 0.37646293127896 0.71333339666631 0.92136191774147 15.999 > 41 45 O 0.62353706872104 0.21333339666631 0.32863808225853 15.999 > 45 46 O 0.62353706872104 0.71333339666631 0.32863808225853 15.999 > 45 47 O 0.62353706872104 0.21333339666631 0.82863808225853 15.999 > 45 48 O 0.62353706872104 0.71333339666631 0.82863808225853 15.999 > 45 49 O 0.65030170042928 0.12196078943841 0.09636075188098 15.999 > 1 50 O 0.65030170042928 0.62196078943841 0.09636075188098 15.999 > 1 51 O 0.65030170042928 0.12196078943841 0.59636075188098 15.999 > 1 52 O 0.65030170042928 0.62196078943841 0.59636075188098 15.999 > 1 53 O 0.34969829957072 0.12196078943841 0.15363924811902 15.999 > 5 54 O 0.34969829957072 0.62196078943841 0.15363924811902 15.999 > 5 55 O 0.34969829957072 0.12196078943841 0.65363924811902 15.999 > 5 56 O 0.34969829957072 0.62196078943841 0.65363924811902 15.999 > 5 57 O 0.34969829957072 0.37803921056159 0.40363924811902 15.999 > 9 58 O 0.34969829957072 0.87803921056159 0.40363924811902 15.999 > 9 59 O 0.34969829957072 0.37803921056159 0.90363924811902 15.999 > 9 60 O 0.34969829957072 0.87803921056159 0.90363924811902 15.999 > 9 61 O 0.65030170042928 0.37803921056159 0.34636075188098 15.999 > 13 62 O 0.65030170042928 0.87803921056159 0.34636075188098 15.999 > 13 63 O 0.65030170042928 0.37803921056159 0.84636075188098 15.999 > 13 64 O 0.65030170042928 0.87803921056159 0.84636075188098 15.999 > 13 65 O 0.87646293127896 0.03666660333369 0.17136191774147 15.999 > 17 66 O 0.87646293127896 0.53666660333369 0.17136191774147 15.999 > 17 67 O 0.87646293127896 0.03666660333369 0.67136191774147 15.999 > 17 68 O 0.87646293127896 0.53666660333369 0.67136191774147 15.999 > 17 69 O 0.12353706872104 0.03666660333369 0.07863808225853 15.999 > 21 70 O 0.12353706872104 0.53666660333369 0.07863808225853 15.999 > 21 71 O 0.12353706872104 0.03666660333369 0.57863808225853 15.999 > 21 72 O 0.12353706872104 0.53666660333369 0.57863808225853 15.999 > 21 73 O 0.35155963253237 0.49714450398344 0.27025312330791 15.999 > 25 74 O 0.35155963253237 0.99714450398344 0.27025312330791 15.999 > 25 75 O 0.35155963253237 0.49714450398344 0.77025312330791 15.999 > 25 76 O 0.35155963253237 0.99714450398344 0.77025312330791 15.999 > 25 77 O 0.64844036746763 0.49714450398344 0.47974687669209 15.999 > 29 78 O 0.64844036746763 0.99714450398344 0.47974687669209 15.999 > 29 79 O 0.64844036746763 0.49714450398344 0.97974687669209 15.999 > 29 80 O 0.64844036746763 0.99714450398344 0.97974687669209 15.999 > 29 81 O 0.64844036746763 0.00285549601656 0.22974687669209 15.999 > 33 82 O 0.64844036746763 0.50285549601656 0.22974687669209 15.999 > 33 83 O 0.64844036746763 0.00285549601656 0.72974687669209 15.999 > 33 84 O 0.64844036746763 0.50285549601656 0.72974687669209 15.999 > 33 85 O 0.35155963253237 0.00285549601656 0.02025312330791 15.999 > 37 86 O 0.35155963253237 0.50285549601656 0.02025312330791 15.999 > 37 87 O 0.35155963253237 0.00285549601656 0.52025312330791 15.999 > 37 88 O 0.35155963253237 0.50285549601656 0.52025312330791 15.999 > 37 89 O 0.87646293127896 0.46333339666631 0.42136191774147 15.999 > 41 90 O 0.87646293127896 0.96333339666631 0.42136191774147 15.999 > 41 91 O 0.87646293127896 0.46333339666631 0.92136191774147 15.999 > 41 92 O 0.87646293127896 0.96333339666631 0.92136191774147 15.999 > 41 93 O 0.12353706872104 0.46333339666631 0.32863808225853 15.999 > 45 94 O 0.12353706872104 0.96333339666631 0.32863808225853 15.999 > 45 95 O 0.12353706872104 0.46333339666631 0.82863808225853 15.999 > 45 96 O 0.12353706872104 0.96333339666631 0.82863808225853 15.999 > 45 97 P 0.21413650753627 0.29512696098889 0.12136844319081 30.974 > 97 98 P 0.21413650753627 0.79512696098889 0.12136844319081 30.974 > 97 99 P 0.21413650753627 0.29512696098889 0.62136844319081 30.974 > 97 100 P 0.21413650753627 0.79512696098889 0.62136844319081 30.974 > 97 101 P 0.78586349246373 0.29512696098889 0.12863155680919 30.974 > 101 102 P 0.78586349246373 0.79512696098889 0.12863155680919 30.974 > 101 103 P 0.78586349246373 0.29512696098889 0.62863155680919 30.974 > 101 104 P 0.78586349246373 0.79512696098889 0.62863155680919 30.974 > 101 105 P 0.78586349246373 0.20487303901111 0.37863155680919 30.974 > 105 106 P 0.78586349246373 0.70487303901111 0.37863155680919 30.974 > 105 107 P 0.78586349246373 0.20487303901111 0.87863155680919 30.974 > 105 108 P 0.78586349246373 0.70487303901111 0.87863155680919 30.974 > 105 109 P 0.21413650753627 0.20487303901111 0.37136844319081 30.974 > 109 110 P 0.21413650753627 0.70487303901111 0.37136844319081 30.974 > 109 111 P 0.21413650753627 0.20487303901111 0.87136844319081 30.974 > 109 112 P 0.21413650753627 0.70487303901111 0.87136844319081 30.974 > 109 113 P 0.71413650753627 0.04512696098889 0.12136844319081 30.974 > 97 114 P 0.71413650753627 0.54512696098889 0.12136844319081 30.974 > 97 115 P 0.71413650753627 0.04512696098889 0.62136844319081 30.974 > 97 116 P 0.71413650753627 0.54512696098889 0.62136844319081 30.974 > 97 117 P 0.28586349246373 0.04512696098889 0.12863155680919 30.974 > 101 118 P 0.28586349246373 0.54512696098889 0.12863155680919 30.974 > 101 119 P 0.28586349246373 0.04512696098889 0.62863155680919 30.974 > 101 120 P 0.28586349246373 0.54512696098889 0.62863155680919 30.974 > 101 121 P 0.28586349246373 0.45487303901111 0.37863155680919 30.974 > 105 122 P 0.28586349246373 0.95487303901111 0.37863155680919 30.974 > 105 123 P 0.28586349246373 0.45487303901111 0.87863155680919 30.974 > 105 124 P 0.28586349246373 0.95487303901111 0.87863155680919 30.974 > 105 125 P 0.71413650753627 0.45487303901111 0.37136844319081 30.974 > 109 126 P 0.71413650753627 0.95487303901111 0.37136844319081 30.974 > 109 127 P 0.71413650753627 0.45487303901111 0.87136844319081 30.974 > 109 128 P 0.71413650753627 0.95487303901111 0.87136844319081 30.974 > 109 129 Zn 0.00000000000000 0.44142442512015 0.12500000000000 65.380 > 129 130 Zn 0.00000000000000 0.94142442512015 0.12500000000000 65.380 > 129 131 Zn 0.00000000000000 0.44142442512015 0.62500000000000 65.380 > 129 132 Zn 0.00000000000000 0.94142442512015 0.62500000000000 65.380 > 129 133 Zn 0.00000000000000 0.05857557487985 0.37500000000000 65.380 > 133 134 Zn 0.00000000000000 0.55857557487985 0.37500000000000 65.380 > 133 135 Zn 0.00000000000000 0.05857557487985 0.87500000000000 65.380 > 133 136 Zn 0.00000000000000 0.55857557487985 0.87500000000000 65.380 > 133 137 Zn 0.50000000000000 0.19142442512015 0.12500000000000 65.380 > 129 138 Zn 0.50000000000000 0.69142442512015 0.12500000000000 65.380 > 129 139 Zn 0.50000000000000 0.19142442512015 0.62500000000000 65.380 > 129 140 Zn 0.50000000000000 0.69142442512015 0.62500000000000 65.380 > 129 141 Zn 0.50000000000000 0.30857557487985 0.37500000000000 65.380 > 133 142 Zn 0.50000000000000 0.80857557487985 0.37500000000000 65.380 > 133 143 Zn 0.50000000000000 0.30857557487985 0.87500000000000 65.380 > 133 144 Zn 0.50000000000000 0.80857557487985 0.87500000000000 65.380 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8975465 0.0000000 0.0022059 0.0000000 2.9803163 0.0000000 0.0022088 0.0000000 2.9368578 -------------------------- Born effective charges -------------------------- 1 O -1.3973422 0.6548396 0.0110280 0.5620200 -2.1144367 0.0654153 0.0289739 0.0846619 -1.1165313 2 O -1.3973422 -0.6548396 0.0110280 -0.5620200 -2.1144367 -0.0654153 0.0289739 -0.0846619 -1.1165313 3 O -1.3973422 0.6548396 0.0110280 0.5620200 -2.1144367 0.0654153 0.0289739 0.0846619 -1.1165313 4 O -1.3973422 -0.6548396 0.0110280 -0.5620200 -2.1144367 -0.0654153 0.0289739 -0.0846619 -1.1165313 5 O -1.9329817 0.3769689 -0.3147273 0.2130944 -1.2654626 -0.1283718 -0.3320441 -0.0974981 -1.5494630 6 O -1.9329817 -0.3769689 -0.3147273 -0.2130944 -1.2654626 0.1283718 -0.3320441 0.0974981 -1.5494630 7 O -1.2388095 -0.3640857 0.4842290 -0.2955891 -1.5506614 0.9702744 0.4359069 1.1664785 -2.5476494 8 O -1.2388095 0.3640857 0.4842290 0.2955891 -1.5506614 -0.9702744 0.4359069 -1.1664785 -2.5476494 9 O -1.2388095 -0.3640857 0.4842290 -0.2955891 -1.5506614 0.9702744 0.4359069 1.1664785 -2.5476494 10 O -1.2388095 0.3640857 0.4842290 0.2955891 -1.5506614 -0.9702744 0.4359069 -1.1664785 -2.5476494 11 O -1.9329817 -0.3769689 -0.3147273 -0.2130944 -1.2654626 0.1283718 -0.3320441 0.0974981 -1.5494630 12 O -1.9329817 0.3769689 -0.3147273 0.2130944 -1.2654626 -0.1283718 -0.3320441 -0.0974981 -1.5494630 13 P 3.1986558 -0.5292704 -0.2937536 0.0817691 3.6737268 -0.0416235 -0.2217481 -0.0390372 4.1061798 14 P 3.1986558 0.5292704 -0.2937536 -0.0817691 3.6737268 0.0416235 -0.2217481 0.0390372 4.1061798 15 P 3.1986558 -0.5292704 -0.2937536 0.0817691 3.6737268 -0.0416235 -0.2217481 -0.0390372 4.1061798 16 P 3.1986558 0.5292704 -0.2937536 -0.0817691 3.6737268 0.0416235 -0.2217481 0.0390372 4.1061798 17 Zn 2.7409554 0.0000000 0.2264477 0.0000000 2.5136679 0.0000000 0.1778228 0.0000000 2.2149278 18 Zn 2.7409554 0.0000000 0.2264477 0.0000000 2.5136679 0.0000000 0.1778228 0.0000000 2.2149278 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 11 ] 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: 0.70, Number of G-points: 311, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/201) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 8.200 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 9.066 ( 0.000 0.000 0.000) 0.000 9.379 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.531 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 10.932 ( 0.000 0.000 0.000) 0.000 11.054 ( 0.000 0.000 0.000) 0.000 12.946 ( 0.000 0.000 0.000) 0.000 13.123 ( 0.000 0.000 0.000) 0.000 13.472 ( 0.000 0.000 0.000) 0.000 13.858 ( 0.000 0.000 0.000) 0.000 14.621 ( 0.000 0.000 0.000) 0.000 15.907 ( 0.000 0.000 0.000) 0.000 16.093 ( 0.000 0.000 0.000) 0.000 16.121 ( 0.000 0.000 0.000) 0.000 16.337 ( 0.000 0.000 0.000) 0.000 16.406 ( 0.000 0.000 0.000) 0.000 19.952 ( 0.000 0.000 0.000) 0.000 20.763 ( 0.000 0.000 0.000) 0.000 22.592 ( 0.000 0.000 0.000) 0.000 22.691 ( 0.000 0.000 0.000) 0.000 26.008 ( 0.000 0.000 0.000) 0.000 26.090 ( 0.000 0.000 0.000) 0.000 29.637 ( 0.000 0.000 0.000) 0.000 30.108 ( 0.000 0.000 0.000) 0.000 30.797 ( 0.000 0.000 0.000) 0.000 31.226 ( 0.000 0.000 0.000) 0.000 31.991 ( 0.000 0.000 0.000) 0.000 33.742 ( 0.000 0.000 0.000) 0.000 35.814 ( 0.000 0.000 0.000) 0.000 35.818 ( 0.000 0.000 0.000) 0.000 36.249 ( 0.000 0.000 0.000) 0.000 36.414 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/201) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 10.593 -20.548 18.513) 29.617 0.665 ( 13.486 -26.672 20.163) 36.053 1.085 ( 36.992 -35.985 6.458) 52.010 2.798 ( -2.378 -0.934 -5.280) 5.866 2.887 ( -2.450 5.639 1.466) 6.320 3.118 ( 1.707 -3.597 5.199) 6.548 3.704 ( -14.164 -6.478 -10.815) 18.962 3.853 ( -1.543 -4.282 -0.198) 4.556 4.074 ( 1.280 -1.036 2.148) 2.707 4.760 ( -2.936 -4.930 3.887) 6.931 4.900 ( 0.029 8.247 -1.943) 8.473 5.303 ( 1.015 0.375 -1.605) 1.936 5.392 ( 1.648 -1.363 -4.754) 5.213 6.050 ( -6.991 -17.538 -6.837) 20.080 6.376 ( 0.089 -4.682 9.166) 10.292 7.057 ( -1.266 4.746 0.431) 4.931 7.735 ( 28.792 42.817 11.150) 52.789 8.150 ( 6.010 13.002 1.237) 14.377 8.735 ( 0.340 -0.903 1.510) 1.792 9.108 ( -2.389 -1.904 -1.299) 3.320 9.600 ( -15.434 -9.988 -2.612) 18.569 10.124 ( -2.597 -3.074 4.163) 5.791 10.168 ( 0.686 -1.677 -0.394) 1.854 10.343 ( 0.930 8.705 -0.156) 8.756 10.555 ( 5.473 2.487 -2.993) 6.716 10.674 ( -2.569 0.655 -3.778) 4.616 10.949 ( 0.405 -0.701 0.498) 0.951 11.124 ( 6.953 5.681 0.883) 9.022 12.977 ( -2.451 -4.412 5.589) 7.531 13.108 ( -1.315 -3.002 -10.634) 11.128 13.536 ( -0.460 0.146 5.858) 5.877 13.827 ( 0.206 4.534 0.145) 4.541 15.266 ( -35.138 -37.463 -11.454) 52.624 15.907 ( -0.762 2.227 2.324) 3.308 16.108 ( 2.149 0.423 1.056) 2.432 16.127 ( 0.596 -0.688 -0.813) 1.221 16.341 ( -0.001 -0.686 -0.687) 0.971 16.558 ( -12.800 -14.216 -3.125) 19.383 20.127 ( 14.173 15.484 -6.670) 22.026 20.784 ( 1.326 -1.323 0.572) 1.958 22.581 ( -1.502 -0.671 -2.371) 2.886 22.702 ( 1.573 0.591 1.877) 2.519 26.011 ( -0.991 -0.108 3.965) 4.088 26.088 ( -0.105 0.058 -0.311) 0.333 29.802 ( -12.817 -10.343 -5.307) 17.304 30.166 ( 4.500 -2.058 3.112) 5.845 31.070 ( -22.478 -24.599 -10.104) 34.821 31.235 ( 0.828 0.105 1.523) 1.736 32.715 ( 32.012 32.108 19.504) 49.357 33.681 ( -7.862 0.172 -3.272) 8.518 35.757 ( -7.195 0.394 -2.158) 7.522 35.818 ( -0.150 -0.261 0.213) 0.369 36.375 ( -0.175 -4.194 -0.968) 4.308 38.483 ( -8.923 -9.665 -2.706) 13.429 ======================= Grid point 2 (3/201) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 10.224 -19.853 14.691) 26.730 1.219 ( 8.031 -17.489 21.932) 29.178 1.923 ( 25.362 -23.768 -6.747) 35.407 2.774 ( -2.956 -5.632 -5.140) 8.178 2.831 ( -1.732 -0.159 5.287) 5.566 3.192 ( 1.566 -0.019 6.159) 6.355 3.565 ( -3.254 3.332 -9.779) 10.831 3.899 ( 1.004 -2.928 -1.251) 3.339 4.097 ( -0.767 -0.588 3.463) 3.595 4.765 ( 0.558 8.056 1.476) 8.209 4.839 ( -1.575 -6.648 3.120) 7.510 5.272 ( 0.171 2.582 -5.485) 6.065 5.444 ( 3.703 -2.548 -3.378) 5.623 6.224 ( 3.046 -13.765 -4.243) 14.723 6.464 ( -0.027 -0.467 4.834) 4.857 6.984 ( -2.183 0.430 1.733) 2.820 7.486 ( -1.389 19.977 1.182) 20.060 7.995 ( 4.333 18.798 0.650) 19.302 8.767 ( 0.356 -1.873 1.605) 2.492 9.098 ( -1.693 -1.237 -1.216) 2.424 9.539 ( -11.235 -8.626 -2.959) 14.470 10.110 ( -0.531 10.362 2.129) 10.592 10.177 ( -3.460 -2.750 7.707) 8.884 10.268 ( 1.960 0.647 -2.020) 2.888 10.537 ( 3.341 4.207 -11.170) 12.395 10.642 ( 0.173 0.275 1.386) 1.423 10.964 ( 1.187 0.166 -0.350) 1.249 11.137 ( 2.879 2.981 3.641) 5.516 13.011 ( -3.742 -3.276 -0.892) 5.053 13.133 ( -0.530 -9.063 -6.871) 11.385 13.550 ( 0.728 2.210 6.885) 7.268 13.742 ( 0.503 8.051 0.521) 8.083 15.306 ( -14.854 -18.035 -4.176) 23.734 15.868 ( -0.566 2.946 1.241) 3.246 16.131 ( 1.650 0.673 1.612) 2.403 16.153 ( 1.721 -1.290 -1.395) 2.563 16.348 ( -0.104 -0.825 -0.973) 1.280 16.587 ( -4.911 -7.206 -1.096) 8.789 20.045 ( 3.534 8.560 -3.625) 9.945 20.831 ( 1.747 -1.936 0.757) 2.715 22.559 ( -1.587 -0.646 -2.618) 3.129 22.724 ( 1.680 0.551 1.908) 2.601 26.019 ( -0.175 -0.229 2.022) 2.042 26.083 ( -0.183 0.121 -0.570) 0.611 29.765 ( -6.557 -4.758 -2.697) 8.539 30.276 ( 5.063 -2.122 3.346) 6.429 31.094 ( -8.928 -11.769 -5.266) 15.683 31.254 ( 1.483 0.552 2.337) 2.822 32.776 ( 20.258 15.815 10.590) 27.797 33.522 ( -13.580 -0.440 -5.712) 14.739 35.633 ( -8.292 0.806 -2.708) 8.760 35.821 ( -0.268 -0.464 0.343) 0.637 36.430 ( 3.387 -0.657 -0.126) 3.453 38.495 ( -3.102 -3.851 -0.590) 4.980 ======================= Grid point 3 (4/201) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 6.391 -14.620 9.010) 18.324 1.498 ( 1.748 -3.059 14.216) 14.646 2.370 ( 13.845 -14.195 -13.738) 24.123 2.777 ( -3.400 -4.895 -9.274) 11.024 2.918 ( -3.201 -4.643 16.235) 17.186 3.202 ( 1.316 2.828 3.891) 4.987 3.452 ( 2.579 7.621 -6.919) 10.611 3.945 ( 1.242 -2.033 -1.490) 2.810 4.112 ( -1.494 -1.145 4.008) 4.428 4.760 ( 5.589 -2.542 1.706) 6.373 4.924 ( -0.995 -4.543 4.451) 6.438 5.187 ( -1.222 5.261 -6.988) 8.832 5.507 ( 2.889 -1.450 -1.565) 3.591 6.370 ( 0.931 9.254 0.528) 9.315 6.488 ( 2.273 -15.718 -2.279) 16.044 7.049 ( -1.003 -9.278 3.403) 9.933 7.182 ( -6.822 14.541 -0.738) 16.079 7.760 ( 0.563 17.479 -0.795) 17.507 8.804 ( 0.262 -1.929 0.794) 2.102 9.086 ( -0.544 0.490 -0.217) 0.764 9.558 ( -7.129 -13.379 -4.335) 15.767 9.905 ( 0.713 17.696 3.222) 18.001 10.224 ( -3.005 -3.367 10.589) 11.511 10.289 ( 1.068 -1.177 -4.411) 4.689 10.466 ( 0.949 2.456 -9.428) 9.788 10.654 ( 1.431 0.932 1.244) 2.113 10.973 ( 1.077 0.304 -0.419) 1.195 11.143 ( 1.122 1.651 2.613) 3.288 12.994 ( -2.125 -1.986 -4.139) 5.059 13.260 ( -0.839 -11.289 -0.852) 11.352 13.538 ( 0.366 4.374 2.238) 4.927 13.636 ( 0.824 7.591 2.153) 7.933 15.349 ( -6.308 -8.754 -1.450) 10.887 15.829 ( -0.101 2.296 0.754) 2.419 16.147 ( 0.833 0.047 0.844) 1.187 16.182 ( 1.248 -0.575 -0.726) 1.555 16.352 ( -0.163 -0.468 -0.685) 0.845 16.619 ( -1.765 -3.549 -0.433) 3.987 19.964 ( 0.551 4.500 -1.836) 4.891 20.879 ( 1.190 -1.421 0.512) 1.923 22.540 ( -0.940 -0.342 -1.600) 1.886 22.742 ( 0.998 0.286 1.088) 1.503 26.029 ( 0.072 -0.223 1.171) 1.194 26.076 ( -0.180 0.142 -0.597) 0.639 29.746 ( -2.990 -2.282 -1.122) 3.925 30.366 ( 3.085 -1.267 1.969) 3.873 31.123 ( -3.622 -5.935 -2.725) 7.468 31.273 ( 1.328 0.732 1.866) 2.404 32.876 ( 16.382 9.167 7.665) 20.277 33.322 ( -15.019 -1.885 -6.411) 16.438 35.522 ( -5.188 0.658 -1.796) 5.530 35.826 ( -0.194 -0.362 0.258) 0.485 36.471 ( 2.398 0.141 -0.034) 2.402 38.504 ( -1.119 -1.508 -0.053) 1.879 ======================= Grid point 4 (5/201) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 178 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 -0.000 0.000) 0.000 1.596 ( 0.000 -0.000 0.000) 0.000 2.556 ( -0.000 -0.000 0.000) 0.000 2.766 ( 0.000 -0.000 0.000) 0.000 2.943 ( 0.000 -0.000 -0.000) 0.000 3.220 ( 0.000 -0.000 0.000) 0.000 3.372 ( 0.000 -0.000 0.000) 0.000 3.965 ( 0.000 -0.000 -0.000) 0.000 4.119 ( 0.000 -0.000 0.000) 0.000 4.895 ( 0.000 -0.000 0.000) 0.000 4.973 ( 0.000 -0.000 0.000) 0.000 5.062 ( -0.000 0.000 -0.000) 0.000 5.535 ( 0.000 -0.000 0.000) 0.000 6.279 ( 0.000 -0.000 0.000) 0.000 6.690 ( 0.000 -0.000 0.000) 0.000 6.959 ( 0.000 -0.000 -0.000) 0.000 7.158 ( 0.000 -0.000 0.000) 0.000 7.603 ( 0.000 -0.000 -0.000) 0.000 8.824 ( 0.000 -0.000 0.000) 0.000 9.077 ( 0.000 -0.000 0.000) 0.000 9.687 ( -0.000 -0.000 -0.000) 0.000 9.700 ( 0.000 0.000 0.000) 0.000 10.271 ( -0.000 -0.000 0.000) 0.000 10.277 ( 0.000 0.000 -0.000) 0.000 10.432 ( 0.000 -0.000 -0.000) 0.000 10.659 ( 0.000 -0.000 0.000) 0.000 10.978 ( 0.000 -0.000 0.000) 0.000 11.144 ( 0.000 -0.000 0.000) 0.000 12.985 ( 0.000 -0.000 -0.000) 0.000 13.374 ( 0.000 0.000 0.000) 0.000 13.465 ( 0.000 -0.000 0.000) 0.000 13.599 ( 0.000 -0.000 0.000) 0.000 15.369 ( 0.000 -0.000 0.000) 0.000 15.813 ( 0.000 -0.000 0.000) 0.000 16.155 ( 0.000 -0.000 0.000) 0.000 16.193 ( -0.000 -0.000 -0.000) 0.000 16.352 ( 0.000 -0.000 0.000) 0.000 16.633 ( 0.000 -0.000 0.000) 0.000 19.930 ( 0.000 -0.000 0.000) 0.000 20.899 ( 0.000 -0.000 0.000) 0.000 22.533 ( 0.000 -0.000 -0.000) 0.000 22.749 ( 0.000 -0.000 0.000) 0.000 26.034 ( 0.000 -0.000 -0.000) 0.000 26.072 ( 0.000 -0.000 0.000) 0.000 29.741 ( 0.000 -0.000 0.000) 0.000 30.400 ( 0.000 -0.000 0.000) 0.000 31.137 ( 0.000 -0.000 0.000) 0.000 31.281 ( 0.000 -0.000 0.000) 0.000 32.958 ( -0.000 -0.000 -0.000) 0.000 33.197 ( 0.000 -0.000 0.000) 0.000 35.479 ( 0.000 -0.000 0.000) 0.000 35.828 ( 0.000 -0.000 -0.000) 0.000 36.486 ( -0.000 -0.000 0.000) 0.000 38.508 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/201) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 28.827 -0.000 -5.826) 29.410 0.825 ( 22.066 -0.000 25.825) 33.968 1.490 ( 43.855 -0.000 27.308) 51.663 2.722 ( -3.166 0.000 -11.559) 11.985 2.876 ( -9.302 0.000 4.217) 10.213 3.102 ( 0.322 -0.000 8.177) 8.184 3.515 ( 3.978 -0.000 -6.057) 7.246 3.846 ( 2.746 -0.000 -3.516) 4.461 4.102 ( 1.480 -0.000 6.557) 6.722 4.690 ( -3.643 0.000 3.612) 5.130 4.948 ( -1.022 0.000 -2.062) 2.301 5.324 ( 2.917 -0.000 -3.627) 4.655 5.371 ( 2.371 -0.000 -8.193) 8.530 5.931 ( 5.177 -0.000 3.347) 6.165 6.424 ( 5.619 -0.000 3.900) 6.839 7.072 ( -2.578 0.000 0.876) 2.722 7.889 ( -19.077 0.000 -5.242) 19.784 8.631 ( -3.322 0.000 -1.721) 3.741 8.717 ( -1.923 0.000 3.791) 4.250 9.026 ( -1.256 0.000 -4.393) 4.569 9.342 ( -2.298 0.000 -1.027) 2.517 10.104 ( -1.998 0.000 9.361) 9.572 10.147 ( -0.401 0.000 1.341) 1.400 10.422 ( 1.299 -0.000 -0.012) 1.299 10.651 ( 6.871 -0.000 -0.963) 6.939 10.669 ( -1.919 0.000 -2.606) 3.236 10.942 ( 0.427 -0.000 -0.018) 0.427 11.229 ( 2.077 -0.000 -5.528) 5.905 12.936 ( -1.815 0.000 3.327) 3.789 12.998 ( -3.327 0.000 -10.955) 11.449 13.553 ( 1.243 -0.000 7.329) 7.433 13.864 ( 0.308 -0.000 0.197) 0.365 14.625 ( 0.230 -0.000 0.367) 0.433 15.910 ( -1.544 0.000 1.333) 2.040 16.129 ( 1.638 -0.000 2.311) 2.833 16.145 ( 1.183 -0.000 0.415) 1.254 16.333 ( 0.230 -0.000 -0.945) 0.972 16.415 ( 0.438 -0.000 0.940) 1.037 20.309 ( 0.594 -0.000 -10.688) 10.705 20.801 ( 2.237 -0.000 0.893) 2.408 22.546 ( -1.372 0.000 -2.642) 2.977 22.735 ( 1.670 -0.000 1.460) 2.218 26.016 ( -0.947 0.000 4.362) 4.464 26.085 ( -0.199 0.000 -0.513) 0.550 29.602 ( -0.674 0.000 -0.522) 0.852 30.228 ( 5.566 -0.000 4.642) 7.248 30.795 ( -0.003 0.000 -0.573) 0.573 31.280 ( 3.520 -0.000 1.971) 4.034 33.168 ( 1.875 -0.000 7.377) 7.611 33.522 ( -13.818 0.000 -5.342) 14.814 35.666 ( -8.833 0.000 -1.755) 9.005 35.760 ( -4.276 0.000 0.783) 4.347 36.324 ( 4.187 -0.000 -1.300) 4.384 38.441 ( 7.844 -0.000 0.983) 7.905 ======================= Grid point 11 (7/201) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 20.017 -5.378 5.816) 21.527 1.306 ( 20.638 -11.431 14.625) 27.758 2.097 ( 27.388 -1.112 10.538) 29.366 2.639 ( -3.830 -2.844 -10.121) 11.189 2.808 ( -3.523 -2.447 6.792) 8.034 3.203 ( 2.411 -4.972 8.205) 9.893 3.546 ( 3.052 0.038 -4.807) 5.694 3.879 ( 3.042 -1.318 -3.702) 4.969 4.124 ( 0.177 2.514 5.355) 5.918 4.726 ( -1.439 -6.802 4.649) 8.364 4.872 ( -1.440 6.044 0.573) 6.240 5.304 ( 2.364 3.308 -7.016) 8.109 5.427 ( 4.436 -4.128 -6.522) 8.903 6.091 ( 5.953 -9.284 2.189) 11.244 6.507 ( 2.704 -0.323 0.961) 2.888 7.001 ( -3.217 4.119 1.434) 5.419 7.539 ( -17.174 8.909 -5.115) 20.011 8.385 ( 0.150 21.137 -2.559) 21.292 8.730 ( -3.419 -2.971 5.405) 7.052 9.019 ( -0.830 -3.697 -5.895) 7.008 9.331 ( -5.396 -3.464 -1.274) 6.538 10.142 ( -0.585 -0.927 9.381) 9.445 10.162 ( -0.763 -1.177 3.918) 4.162 10.383 ( 2.326 7.720 0.196) 8.065 10.579 ( -0.184 5.665 -7.443) 9.356 10.716 ( 4.279 2.034 3.558) 5.925 10.957 ( -0.044 -1.435 -2.009) 2.470 11.209 ( 1.751 2.345 -3.154) 4.303 12.921 ( -3.162 -1.814 -2.354) 4.339 12.985 ( -0.443 -6.713 -5.057) 8.416 13.590 ( -0.818 -0.003 5.046) 5.112 13.837 ( 0.263 4.352 0.312) 4.372 14.818 ( -4.746 -22.684 -1.685) 23.236 15.889 ( -0.924 1.286 0.786) 1.768 16.150 ( 0.836 0.482 0.234) 0.993 16.168 ( 0.996 -0.570 2.374) 2.637 16.338 ( 0.643 -0.356 -1.022) 1.259 16.464 ( 0.021 -4.750 1.291) 4.923 20.201 ( 0.750 8.722 -5.347) 10.258 20.843 ( 2.471 -0.809 0.940) 2.765 22.525 ( -0.865 -0.429 -1.986) 2.208 22.756 ( 1.285 0.391 0.663) 1.498 26.024 ( -0.212 -0.104 2.395) 2.406 26.079 ( -0.239 0.059 -0.601) 0.649 29.644 ( 0.278 -4.159 -0.153) 4.171 30.325 ( 4.162 -1.375 4.313) 6.149 30.851 ( -1.898 -8.031 -1.397) 8.370 31.335 ( 4.843 1.432 2.655) 5.705 33.127 ( -3.197 5.517 0.333) 6.386 33.327 ( -7.273 2.786 -1.748) 7.982 35.525 ( -8.320 1.223 -1.183) 8.492 35.756 ( -4.816 -5.540 0.409) 7.352 36.388 ( 1.091 -3.354 -2.556) 4.356 38.540 ( 8.452 2.524 1.253) 8.909 ======================= Grid point 12 (8/201) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 10.377 -7.403 6.710) 14.406 1.694 ( 18.108 0.513 7.356) 19.552 2.335 ( 12.274 -5.112 -7.001) 15.026 2.601 ( -5.534 -4.870 -8.012) 10.887 2.900 ( -0.358 -3.666 12.738) 13.259 3.300 ( 2.138 2.960 8.223) 8.997 3.575 ( 5.656 2.763 -3.545) 7.224 3.920 ( 2.558 -1.043 -3.315) 4.315 4.112 ( -0.081 0.817 4.904) 4.972 4.786 ( -0.775 -1.756 -0.928) 2.132 4.876 ( 2.776 -4.230 9.070) 10.385 5.236 ( 1.128 5.759 -7.801) 9.762 5.503 ( 2.648 -2.481 -3.739) 5.210 6.302 ( -1.673 -7.321 1.543) 7.667 6.472 ( 1.452 -0.033 -3.460) 3.753 6.966 ( -1.079 -2.612 1.991) 3.457 7.231 ( -7.604 8.437 -3.584) 11.910 8.055 ( -2.007 21.798 -2.372) 22.018 8.767 ( -1.945 -3.892 4.604) 6.335 9.048 ( -0.458 -3.744 -4.269) 5.697 9.316 ( -4.983 -6.476 -2.022) 8.418 10.108 ( -1.503 7.968 5.085) 9.571 10.223 ( 0.385 -1.304 11.982) 12.059 10.325 ( 4.557 4.668 -2.256) 6.902 10.476 ( 0.440 3.954 -7.521) 8.508 10.730 ( 1.503 3.754 5.434) 6.773 10.954 ( -1.085 -1.256 -4.529) 4.824 11.184 ( 1.246 2.043 -3.779) 4.473 12.925 ( -0.340 -3.327 -2.020) 3.907 13.089 ( -0.515 -10.374 -1.581) 10.507 13.572 ( -2.225 1.412 1.213) 2.901 13.757 ( 0.054 7.313 0.694) 7.346 15.054 ( -4.122 -19.813 -2.139) 20.350 15.859 ( -0.428 2.105 0.677) 2.252 16.150 ( -0.094 0.173 0.111) 0.226 16.191 ( 0.128 -0.331 1.722) 1.758 16.348 ( 0.716 -0.234 -0.548) 0.932 16.542 ( 0.193 -4.904 1.314) 5.081 20.074 ( 1.393 8.404 -2.189) 8.795 20.887 ( 1.971 -0.596 0.768) 2.198 22.520 ( -0.144 -0.652 -0.711) 0.975 22.761 ( 0.595 0.640 -0.328) 0.933 26.032 ( 0.023 -0.110 1.081) 1.087 26.073 ( -0.165 0.060 -0.366) 0.406 29.708 ( 2.588 -2.189 0.671) 3.455 30.392 ( 1.362 -0.579 2.683) 3.064 30.938 ( -2.693 -9.046 -1.515) 9.559 31.380 ( 5.359 3.246 2.687) 6.817 32.923 ( -18.708 -1.488 -7.700) 20.285 33.303 ( 9.482 5.793 4.966) 12.171 35.436 ( -5.301 -1.684 -0.009) 5.562 35.779 ( -3.629 -5.087 0.232) 6.253 36.410 ( -2.723 -3.078 -3.327) 5.287 38.597 ( 8.480 5.209 1.408) 10.051 ======================= Grid point 13 (9/201) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 5.245 -0.364 -4.431) 6.876 1.817 ( 13.746 13.980 2.465) 19.761 2.528 ( -1.471 -3.221 3.396) 4.906 2.615 ( 2.808 -13.412 -14.027) 19.609 2.985 ( -0.310 -2.002 14.758) 14.897 3.270 ( 1.601 6.425 3.504) 7.492 3.502 ( 1.667 11.357 -2.931) 11.847 3.925 ( -0.832 -0.586 -3.615) 3.755 4.138 ( 0.666 0.290 4.157) 4.220 4.854 ( -0.311 -5.664 1.069) 5.772 4.983 ( 0.161 1.491 1.519) 2.135 5.115 ( 2.081 5.284 -0.852) 5.743 5.519 ( -1.436 -0.402 -1.316) 1.989 6.199 ( -8.926 -1.075 -0.906) 9.036 6.685 ( 9.107 -10.844 -3.011) 14.477 6.914 ( -7.091 3.000 -0.340) 7.707 7.178 ( 6.458 -1.741 -0.119) 6.689 7.735 ( -2.561 16.562 -1.341) 16.812 8.813 ( -0.792 -2.028 3.287) 3.943 9.057 ( -1.100 -1.266 -1.854) 2.500 9.405 ( -2.780 -14.773 -3.005) 15.330 9.970 ( 1.517 13.378 6.352) 14.887 10.290 ( 0.284 -0.532 9.836) 9.855 10.319 ( 5.543 3.712 -7.481) 10.024 10.432 ( 0.244 0.303 -0.667) 0.772 10.705 ( -0.612 3.932 6.736) 7.824 10.933 ( -2.324 -2.128 -5.028) 5.934 11.149 ( 0.689 1.800 -5.740) 6.055 12.983 ( 2.277 -2.779 2.219) 4.223 13.239 ( -0.269 -11.980 -0.645) 12.001 13.510 ( -2.465 2.330 -3.142) 4.623 13.646 ( -0.851 7.847 0.833) 7.937 15.254 ( -0.635 -14.249 -1.941) 14.394 15.827 ( -0.358 2.024 0.479) 2.111 16.142 ( -1.119 -0.017 -0.192) 1.136 16.197 ( -0.498 0.162 1.554) 1.640 16.358 ( 0.671 -0.050 0.029) 0.673 16.610 ( 0.473 -3.252 1.295) 3.532 19.992 ( 2.173 5.505 -0.066) 5.919 20.908 ( 0.881 0.647 0.376) 1.156 22.534 ( 0.670 -0.712 0.853) 1.298 22.750 ( -0.283 0.751 -1.364) 1.583 26.034 ( -0.075 0.106 -0.197) 0.236 26.073 ( 0.053 -0.099 0.315) 0.335 29.776 ( 4.875 0.009 1.423) 5.078 30.395 ( -1.818 0.741 0.666) 2.073 31.019 ( -2.632 -7.971 -1.110) 8.467 31.403 ( 5.824 5.066 2.397) 8.082 32.678 ( -20.528 -4.865 -8.643) 22.798 33.403 ( 12.199 3.564 5.537) 13.863 35.441 ( -0.986 -4.203 1.603) 4.605 35.808 ( -1.466 -3.534 0.186) 3.831 36.381 ( -6.554 -3.611 -3.670) 8.335 38.628 ( 8.436 6.440 1.402) 10.706 ======================= Grid point 14 (10/201) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 3.169 8.543 -11.263) 14.487 1.670 ( 7.118 21.619 -7.247) 23.887 2.451 ( -9.055 9.003 14.948) 19.659 2.789 ( 3.125 -9.059 -12.250) 15.553 3.025 ( 1.838 7.969 9.585) 12.600 3.207 ( 0.442 6.290 -3.864) 7.395 3.409 ( 2.188 -1.025 5.265) 5.793 3.899 ( -4.000 -2.334 -4.182) 6.240 4.146 ( 1.505 1.538 0.714) 2.268 4.748 ( -6.676 8.975 -2.082) 11.378 4.939 ( -0.621 -1.004 -2.430) 2.702 5.200 ( 4.623 -1.845 6.472) 8.165 5.484 ( -3.235 0.372 0.532) 3.299 6.174 ( -6.668 -8.750 -2.338) 11.247 6.712 ( 2.851 11.396 3.324) 12.208 7.002 ( 1.477 -15.528 -3.430) 15.971 7.213 ( 4.519 10.397 -3.727) 11.933 7.619 ( 0.416 -5.113 1.999) 5.505 8.817 ( -1.251 1.082 1.596) 2.298 9.066 ( -0.075 -2.226 -0.867) 2.390 9.614 ( -1.242 -19.190 -1.947) 19.329 9.856 ( 5.898 12.641 5.867) 15.133 10.300 ( 5.863 4.462 -7.750) 10.693 10.312 ( -0.351 0.876 0.788) 1.230 10.448 ( -2.256 -1.286 7.512) 7.948 10.677 ( -0.311 2.659 7.151) 7.636 10.923 ( -2.238 -2.921 -2.151) 4.262 11.102 ( -0.352 1.023 -7.999) 8.072 13.065 ( 3.575 -0.224 6.209) 7.169 13.391 ( 1.458 -3.422 -0.788) 3.803 13.429 ( -2.044 -1.258 -3.257) 4.046 13.541 ( -2.923 1.731 -2.294) 4.099 15.428 ( 4.481 -8.214 -1.095) 9.421 15.801 ( -0.985 0.355 -0.093) 1.052 16.119 ( -1.988 0.049 -0.704) 2.109 16.188 ( -0.873 0.906 1.945) 2.316 16.366 ( 0.538 0.251 0.425) 0.730 16.658 ( 1.248 -1.412 1.407) 2.352 19.972 ( 2.219 2.181 1.327) 3.383 20.893 ( -0.258 2.161 -0.048) 2.177 22.563 ( 1.451 -0.549 2.293) 2.769 22.722 ( -1.205 0.645 -2.323) 2.695 26.027 ( -0.105 0.298 -0.834) 0.891 26.079 ( 0.149 -0.206 0.561) 0.615 29.845 ( 6.625 1.630 2.143) 7.151 30.333 ( -4.510 1.929 -1.252) 5.062 31.084 ( -2.088 -6.142 -0.506) 6.506 31.419 ( 8.297 6.351 2.947) 10.857 32.464 ( -20.696 -7.141 -8.861) 23.619 33.545 ( 11.058 1.152 4.829) 12.122 35.532 ( 2.139 -5.819 2.611) 6.727 35.844 ( 2.205 -0.794 0.493) 2.395 36.320 ( -9.959 -5.346 -3.653) 11.879 38.648 ( 8.255 6.673 1.400) 10.706 ======================= Grid point 15 (11/201) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -1.183 26.221 -6.416) 27.021 1.414 ( 4.224 21.587 -16.009) 27.206 2.122 ( -11.833 29.314 13.059) 34.203 2.819 ( 0.306 -0.078 -7.338) 7.345 2.924 ( 1.337 9.424 3.594) 10.174 3.140 ( -0.894 -0.645 -2.816) 3.024 3.587 ( 6.504 -7.757 9.157) 13.650 3.859 ( -5.282 -3.657 -3.866) 7.498 4.131 ( 1.382 3.691 -1.716) 4.299 4.641 ( -2.539 -4.428 0.003) 5.105 4.906 ( -0.255 3.084 -2.155) 3.771 5.287 ( 2.737 -0.417 3.908) 4.789 5.435 ( -3.148 1.161 1.147) 3.546 6.207 ( -4.774 -6.615 -0.960) 8.214 6.633 ( 7.053 11.292 3.154) 13.683 7.064 ( 1.458 9.350 -2.967) 9.917 7.159 ( -6.819 -11.626 -3.983) 14.055 7.801 ( 2.519 -13.015 1.376) 13.327 8.780 ( -1.090 2.061 0.250) 2.345 9.102 ( 0.604 -2.316 -0.195) 2.401 9.815 ( 8.314 8.967 2.393) 12.460 9.873 ( -0.768 -18.824 0.423) 18.844 10.258 ( -1.482 3.008 0.110) 3.354 10.285 ( 4.576 4.627 -7.493) 9.924 10.459 ( -4.855 -2.767 7.173) 9.093 10.694 ( 2.180 0.872 5.855) 6.308 10.941 ( -0.493 -1.707 2.548) 3.106 11.043 ( -2.376 -0.553 -9.348) 9.661 13.109 ( 2.618 3.422 3.584) 5.604 13.301 ( 0.937 9.902 4.019) 10.728 13.456 ( -2.061 -3.882 -7.243) 8.472 13.597 ( -0.754 -10.923 -0.469) 10.959 15.594 ( 10.468 -1.721 1.019) 10.657 15.794 ( -3.205 -3.666 -1.162) 5.007 16.088 ( -2.137 -0.038 -0.720) 2.256 16.167 ( -0.788 1.526 1.744) 2.448 16.366 ( 0.226 0.741 0.459) 0.901 16.705 ( 3.103 -0.802 1.607) 3.586 19.981 ( 0.217 0.403 1.576) 1.641 20.847 ( -0.706 2.935 -0.235) 3.028 22.602 ( 2.064 0.153 3.230) 3.836 22.684 ( -1.978 -0.011 -3.077) 3.658 26.018 ( 0.010 0.335 -0.844) 0.908 26.085 ( 0.098 -0.182 0.342) 0.400 29.919 ( 7.207 2.035 2.739) 7.974 30.227 ( -5.376 2.450 -2.333) 6.352 31.137 ( -1.129 -4.511 -0.017) 4.651 31.490 ( 15.500 6.337 5.812) 17.725 32.252 ( -23.290 -7.228 -10.131) 26.407 33.675 ( 6.881 -0.253 2.947) 7.490 35.656 ( 1.502 -6.181 1.812) 6.614 35.890 ( 6.557 3.414 1.318) 7.509 36.263 ( -10.419 -8.166 -2.906) 13.553 38.665 ( 7.151 5.743 1.402) 9.278 ======================= Grid point 16 (12/201) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 28.972 -0.000) 28.972 1.014 ( 0.000 31.800 -0.000) 31.800 1.484 ( 0.000 47.484 -0.000) 47.484 2.826 ( -0.000 -3.353 0.000) 3.353 2.857 ( 0.000 3.591 -0.000) 3.591 3.131 ( 0.000 1.101 -0.000) 1.101 3.774 ( -0.000 -4.563 0.000) 4.563 3.882 ( -0.000 -7.991 0.000) 7.991 4.074 ( 0.000 3.812 -0.000) 3.812 4.756 ( -0.000 -11.311 0.000) 11.311 4.842 ( 0.000 4.962 -0.000) 4.962 5.308 ( 0.000 0.844 -0.000) 0.844 5.401 ( 0.000 0.661 -0.000) 0.661 6.230 ( -0.000 -0.749 0.000) 0.749 6.555 ( 0.000 10.536 -0.000) 10.536 7.008 ( -0.000 -0.413 0.000) 0.413 7.152 ( -0.000 -3.122 0.000) 3.122 8.003 ( -0.000 -11.911 0.000) 11.911 8.746 ( 0.000 1.610 -0.000) 1.610 9.130 ( -0.000 -0.687 0.000) 0.687 9.790 ( 0.000 4.797 -0.000) 4.797 10.102 ( -0.000 -11.874 0.000) 11.874 10.218 ( 0.000 6.390 -0.000) 6.390 10.226 ( -0.000 -2.173 0.000) 2.173 10.484 ( -0.000 -3.436 0.000) 3.436 10.725 ( 0.000 0.465 -0.000) 0.465 10.953 ( 0.000 1.121 -0.000) 1.121 11.015 ( -0.000 -2.812 0.000) 2.812 13.060 ( 0.000 5.985 -0.000) 5.985 13.202 ( 0.000 6.492 -0.000) 6.492 13.486 ( -0.000 -4.016 0.000) 4.016 13.732 ( -0.000 -8.510 0.000) 8.510 15.700 ( 0.000 2.111 -0.000) 2.111 15.831 ( -0.000 -6.458 0.000) 6.458 16.073 ( -0.000 -0.593 0.000) 0.593 16.144 ( 0.000 1.456 -0.000) 1.456 16.355 ( 0.000 1.003 -0.000) 1.003 16.770 ( -0.000 -2.420 0.000) 2.420 19.966 ( 0.000 1.070 -0.000) 1.070 20.801 ( 0.000 2.524 -0.000) 2.524 22.617 ( 0.000 1.648 -0.000) 1.648 22.668 ( -0.000 -1.512 0.000) 1.512 26.012 ( 0.000 0.273 -0.000) 0.273 26.089 ( -0.000 -0.119 0.000) 0.119 29.970 ( 0.000 0.919 -0.000) 0.919 30.140 ( 0.000 2.144 -0.000) 2.144 31.183 ( -0.000 -3.068 0.000) 3.068 31.683 ( -0.000 -0.827 0.000) 0.827 32.002 ( 0.000 0.597 -0.000) 0.597 33.734 ( -0.000 -0.487 0.000) 0.487 35.746 ( -0.000 -4.842 0.000) 4.842 35.885 ( 0.000 4.741 -0.000) 4.741 36.302 ( -0.000 -7.983 0.000) 7.983 38.664 ( 0.000 3.247 -0.000) 3.247 ======================= Grid point 19 (13/201) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 19.206 -0.000 -6.840) 20.388 1.523 ( 17.844 -0.000 15.132) 23.397 2.445 ( 5.193 -0.000 -8.897) 10.302 2.583 ( 9.321 -0.000 10.834) 14.292 2.762 ( 0.099 -0.000 4.987) 4.988 3.261 ( 7.473 -0.000 9.605) 12.169 3.576 ( 2.151 -0.000 -0.479) 2.204 3.904 ( 4.491 -0.000 -2.928) 5.361 4.183 ( 0.216 -0.000 6.746) 6.750 4.691 ( 2.029 -0.000 1.006) 2.265 4.897 ( -2.029 0.000 4.573) 5.003 5.340 ( 1.654 -0.000 -7.863) 8.035 5.422 ( 7.220 -0.000 -8.989) 11.529 6.128 ( 6.854 -0.000 4.054) 7.963 6.502 ( -4.166 0.000 -2.428) 4.821 6.991 ( -4.166 0.000 1.177) 4.329 7.361 ( -13.463 0.000 -4.051) 14.060 8.444 ( -8.009 0.000 -6.504) 10.318 8.673 ( -5.271 0.000 7.203) 8.926 8.963 ( 1.342 -0.000 -8.733) 8.836 9.260 ( -3.329 0.000 -0.573) 3.378 10.163 ( 0.124 -0.000 4.075) 4.077 10.196 ( 2.013 -0.000 11.721) 11.893 10.475 ( 2.337 -0.000 1.375) 2.711 10.591 ( -1.879 0.000 -3.028) 3.564 10.799 ( 3.278 -0.000 2.890) 4.370 10.921 ( -1.316 0.000 -4.318) 4.514 11.221 ( 1.243 -0.000 -6.462) 6.580 12.869 ( 0.343 -0.000 -6.394) 6.404 12.916 ( -1.016 0.000 0.828) 1.311 13.582 ( -2.678 0.000 2.225) 3.481 13.871 ( 0.048 -0.000 0.173) 0.179 14.640 ( 0.618 -0.000 0.345) 0.708 15.893 ( -0.291 0.000 0.457) 0.542 16.165 ( -0.130 0.000 0.556) 0.571 16.178 ( 0.306 -0.000 1.851) 1.877 16.344 ( 0.741 -0.000 -0.096) 0.747 16.456 ( 2.089 -0.000 2.017) 2.904 20.232 ( -1.357 0.000 -4.158) 4.374 20.878 ( 3.138 -0.000 0.893) 3.263 22.509 ( -0.112 0.000 -1.087) 1.093 22.772 ( 0.749 -0.000 -0.380) 0.840 26.031 ( -0.044 0.000 1.626) 1.627 26.074 ( -0.232 0.000 -0.408) 0.469 29.660 ( 5.187 -0.000 1.532) 5.408 30.377 ( 2.166 -0.000 4.286) 4.802 30.786 ( -0.317 0.000 -0.610) 0.688 31.426 ( 5.647 -0.000 2.728) 6.271 32.901 ( -21.603 0.000 -8.775) 23.317 33.410 ( 6.122 -0.000 4.197) 7.423 35.430 ( -7.806 0.000 -0.300) 7.811 35.630 ( -5.990 0.000 1.188) 6.107 36.376 ( 1.249 -0.000 -3.939) 4.133 38.695 ( 10.208 -0.000 1.279) 10.287 ======================= Grid point 20 (14/201) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 11.078 -1.828 -2.650) 11.536 1.856 ( 15.359 -9.940 0.157) 18.296 2.405 ( -1.355 -2.912 -4.258) 5.334 2.599 ( 6.938 13.224 2.869) 15.207 2.908 ( 3.471 -4.418 8.125) 9.878 3.402 ( 3.820 0.742 8.644) 9.479 3.603 ( 0.104 -1.579 -0.672) 1.719 3.982 ( 8.671 -0.094 0.650) 8.696 4.179 ( 0.242 3.790 5.703) 6.852 4.716 ( -2.005 -2.039 -2.408) 3.738 4.943 ( 5.473 -0.915 9.405) 10.920 5.292 ( 1.432 3.490 -8.616) 9.406 5.492 ( 4.495 -1.228 -6.088) 7.666 6.236 ( -2.291 0.092 1.630) 2.813 6.392 ( -4.909 -4.888 -4.443) 8.230 6.938 ( -3.226 0.366 1.325) 3.506 7.230 ( -1.754 2.331 -1.754) 3.404 8.214 ( -7.940 12.089 -5.812) 15.587 8.680 ( -4.357 -5.744 6.465) 9.684 8.971 ( 1.593 -2.904 -7.822) 8.494 9.218 ( -3.527 -0.702 -0.370) 3.616 10.179 ( 0.292 1.711 5.773) 6.028 10.287 ( 3.112 -0.386 11.423) 11.846 10.463 ( 2.698 6.010 2.042) 6.897 10.523 ( -0.006 4.555 -4.179) 6.182 10.814 ( -0.219 2.891 5.560) 6.271 10.883 ( -2.408 -1.343 -7.811) 8.284 11.200 ( 1.703 1.190 -7.620) 7.898 12.890 ( 2.610 -2.394 -0.240) 3.550 12.957 ( -0.180 -6.457 -1.225) 6.574 13.537 ( -4.690 0.104 -1.016) 4.799 13.841 ( -0.129 4.192 0.172) 4.197 14.759 ( -0.524 -14.567 -0.596) 14.589 15.884 ( 0.111 1.372 0.411) 1.436 16.155 ( -0.647 0.716 0.443) 1.062 16.189 ( -0.286 -0.496 0.982) 1.137 16.353 ( 0.272 -0.232 0.547) 0.653 16.515 ( 2.379 -2.347 2.041) 3.916 20.166 ( -0.596 4.564 -2.140) 5.076 20.922 ( 3.065 0.341 0.882) 3.207 22.513 ( 0.523 -0.503 0.062) 0.728 22.771 ( 0.137 0.506 -1.231) 1.338 26.035 ( 0.000 -0.005 0.517) 0.517 26.071 ( -0.107 -0.013 0.050) 0.119 29.759 ( 7.315 -0.807 1.999) 7.626 30.404 ( -0.769 -0.020 2.958) 3.056 30.813 ( -0.865 -4.814 -0.538) 4.921 31.496 ( 5.282 1.606 2.232) 5.955 32.593 ( -21.365 -1.379 -8.668) 23.097 33.495 ( 7.598 2.227 3.755) 8.763 35.353 ( -4.591 -1.316 1.099) 4.901 35.614 ( -6.035 -6.873 0.873) 9.188 36.357 ( -1.068 0.708 -4.679) 4.851 38.796 ( 9.342 4.029 1.228) 10.248 ======================= Grid point 21 (15/201) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 6.241 -0.732 -6.498) 9.039 2.151 ( 13.331 -4.362 -3.188) 14.384 2.424 ( -4.441 1.511 2.878) 5.504 2.537 ( 5.689 0.688 -2.564) 6.278 3.028 ( 4.717 -2.059 9.894) 11.152 3.407 ( 1.192 5.461 4.884) 7.423 3.563 ( -4.808 1.669 -3.561) 6.211 4.014 ( 4.394 11.223 0.607) 12.067 4.177 ( 1.404 0.997 4.186) 4.526 4.747 ( -1.467 -7.644 0.506) 7.800 5.049 ( 3.376 3.750 1.714) 5.329 5.225 ( 3.547 4.327 -2.103) 5.977 5.490 ( -1.752 1.121 -1.275) 2.439 6.057 ( -11.059 1.176 -3.464) 11.648 6.573 ( 4.761 -13.869 -2.794) 14.927 6.900 ( -2.099 1.338 1.452) 2.882 7.246 ( 5.948 -1.221 0.195) 6.076 7.899 ( -6.495 15.636 -4.066) 17.412 8.757 ( -2.374 -6.459 5.464) 8.787 9.002 ( 0.358 -2.990 -5.179) 5.991 9.214 ( -2.277 -6.054 -1.120) 6.565 10.156 ( 1.277 6.816 6.908) 9.788 10.352 ( 0.945 2.440 9.964) 10.302 10.443 ( 4.872 5.145 -1.419) 7.226 10.447 ( 1.129 2.320 -3.644) 4.465 10.775 ( -2.527 3.554 7.756) 8.898 10.836 ( -2.734 -2.307 -8.272) 9.013 11.164 ( 1.674 2.419 -7.663) 8.209 12.993 ( 4.513 -3.912 4.290) 7.354 13.072 ( 0.212 -10.349 -1.292) 10.431 13.454 ( -5.706 0.377 -4.279) 7.142 13.756 ( -0.315 7.407 0.253) 7.418 14.989 ( -0.655 -18.878 -1.370) 18.939 15.859 ( 0.020 2.470 0.409) 2.503 16.134 ( -1.050 0.860 0.205) 1.373 16.195 ( -0.307 -0.370 0.749) 0.889 16.362 ( 0.161 -0.399 0.513) 0.669 16.585 ( 1.532 -2.710 1.651) 3.523 20.092 ( 0.835 4.937 -0.500) 5.032 20.946 ( 2.055 1.557 0.670) 2.664 22.536 ( 0.951 -1.031 1.145) 1.811 22.751 ( -0.440 1.068 -1.812) 2.149 26.034 ( -0.082 0.156 -0.280) 0.331 26.073 ( 0.058 -0.147 0.424) 0.452 29.871 ( 8.031 0.307 2.040) 8.292 30.378 ( -3.581 1.093 1.062) 3.891 30.883 ( -1.226 -6.975 -0.446) 7.096 31.539 ( 5.055 2.500 1.842) 5.933 32.333 ( -18.145 -2.618 -7.377) 19.761 33.582 ( 7.423 1.267 3.259) 8.205 35.369 ( -0.980 -4.835 2.023) 5.332 35.664 ( -4.738 -9.629 0.726) 10.756 36.289 ( -3.198 2.116 -4.572) 5.967 38.839 ( 7.820 6.049 1.147) 9.953 ======================= Grid point 22 (16/201) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 3.828 2.860 -7.559) 8.943 2.076 ( 4.285 25.200 -1.061) 25.584 2.495 ( -0.938 -6.991 11.424) 13.426 2.604 ( 0.977 -7.213 -11.219) 13.373 3.179 ( 5.284 0.038 11.940) 13.057 3.328 ( 1.276 9.294 -3.456) 9.997 3.449 ( -3.293 1.412 -0.568) 3.628 3.867 ( -0.930 9.941 -1.980) 10.179 4.175 ( -0.372 0.877 1.487) 1.765 4.832 ( -1.021 4.201 1.999) 4.763 4.886 ( -2.374 4.971 -4.796) 7.304 5.280 ( 4.779 -0.212 2.810) 5.548 5.450 ( -2.471 0.313 1.823) 3.087 5.970 ( -5.741 -6.108 -3.456) 9.067 6.798 ( 0.510 -13.197 -1.533) 13.296 6.870 ( 2.376 3.810 1.431) 4.713 7.382 ( 8.866 -0.914 -0.370) 8.921 7.602 ( -6.755 10.045 -1.335) 12.178 8.811 ( -1.236 -1.474 2.421) 3.093 9.024 ( -0.027 -2.609 -1.515) 3.017 9.344 ( -0.765 -15.408 -1.165) 15.471 10.097 ( 3.609 9.346 5.793) 11.573 10.316 ( -2.659 3.191 0.423) 4.175 10.413 ( 5.670 4.047 -6.128) 9.278 10.456 ( -0.818 1.349 4.605) 4.868 10.730 ( -1.823 2.266 5.078) 5.852 10.836 ( -1.250 -4.517 -1.419) 4.896 11.107 ( 0.748 3.685 -6.348) 7.378 13.133 ( 5.479 -2.574 7.494) 9.634 13.233 ( 0.214 -12.327 -0.784) 12.354 13.356 ( -5.664 -0.984 -7.195) 9.210 13.630 ( -0.460 9.747 0.195) 9.760 15.250 ( 0.722 -18.674 -1.115) 18.721 15.821 ( -0.265 2.911 0.217) 2.931 16.106 ( -1.055 1.110 -0.053) 1.532 16.195 ( -0.247 0.293 0.747) 0.840 16.372 ( 0.181 -0.324 0.275) 0.462 16.642 ( 0.685 -2.659 1.003) 2.923 20.047 ( 1.357 3.593 0.373) 3.859 20.933 ( 0.681 2.928 0.270) 3.018 22.574 ( 1.044 -1.571 1.647) 2.505 22.716 ( -0.793 1.660 -1.858) 2.614 26.028 ( -0.071 0.309 -0.381) 0.495 26.079 ( 0.078 -0.238 0.325) 0.410 29.965 ( 6.813 1.287 1.810) 7.165 30.297 ( -4.766 2.325 -0.592) 5.335 30.968 ( -0.927 -7.075 -0.277) 7.141 31.587 ( 6.301 1.606 2.297) 6.897 32.136 ( -13.814 -2.095 -5.615) 15.058 33.669 ( 5.019 -0.187 2.153) 5.464 35.463 ( 0.504 -6.906 1.577) 7.102 35.779 ( -0.768 -11.518 1.274) 11.614 36.181 ( -4.470 3.552 -3.622) 6.761 38.839 ( 5.139 6.309 0.838) 8.180 ======================= Grid point 23 (17/201) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.000 14.435 -0.000) 14.435 1.731 ( 0.000 24.624 -0.000) 24.624 2.426 ( 0.000 16.211 -0.000) 16.211 2.742 ( -0.000 -9.650 0.000) 9.650 3.118 ( 0.000 14.747 -0.000) 14.747 3.173 ( 0.000 7.539 -0.000) 7.539 3.545 ( -0.000 -10.583 0.000) 10.583 3.751 ( 0.000 1.591 -0.000) 1.591 4.174 ( 0.000 0.554 -0.000) 0.554 4.640 ( 0.000 8.530 -0.000) 8.530 4.911 ( -0.000 -1.366 0.000) 1.366 5.326 ( 0.000 0.063 -0.000) 0.063 5.425 ( 0.000 0.962 -0.000) 0.962 6.044 ( -0.000 -9.852 0.000) 9.852 6.821 ( 0.000 6.894 -0.000) 6.894 6.957 ( -0.000 -10.024 0.000) 10.024 7.267 ( 0.000 16.475 -0.000) 16.475 7.638 ( -0.000 -12.596 0.000) 12.596 8.801 ( 0.000 1.651 -0.000) 1.651 9.064 ( -0.000 -3.187 0.000) 3.187 9.590 ( -0.000 -19.627 0.000) 19.627 10.011 ( 0.000 9.645 -0.000) 9.645 10.255 ( 0.000 1.406 -0.000) 1.406 10.393 ( 0.000 5.049 -0.000) 5.049 10.424 ( 0.000 0.600 -0.000) 0.600 10.719 ( -0.000 -0.210 0.000) 0.210 10.900 ( -0.000 -5.050 0.000) 5.050 11.035 ( 0.000 4.337 -0.000) 4.337 13.195 ( 0.000 3.839 -0.000) 3.839 13.332 ( -0.000 -6.631 0.000) 6.631 13.420 ( -0.000 -12.677 0.000) 12.677 13.477 ( 0.000 11.163 -0.000) 11.163 15.508 ( -0.000 -16.325 0.000) 16.325 15.775 ( 0.000 3.063 -0.000) 3.063 16.082 ( 0.000 1.060 -0.000) 1.060 16.185 ( 0.000 1.122 -0.000) 1.122 16.375 ( 0.000 0.182 -0.000) 0.182 16.689 ( -0.000 -2.993 0.000) 2.993 20.017 ( 0.000 2.560 -0.000) 2.560 20.890 ( 0.000 3.496 -0.000) 3.496 22.615 ( -0.000 -2.115 0.000) 2.115 22.675 ( 0.000 2.252 -0.000) 2.252 26.022 ( 0.000 0.367 -0.000) 0.367 26.083 ( -0.000 -0.234 0.000) 0.234 30.004 ( 0.000 1.354 -0.000) 1.354 30.216 ( 0.000 2.998 -0.000) 2.998 31.054 ( -0.000 -6.061 0.000) 6.061 31.656 ( -0.000 -0.977 0.000) 0.977 32.017 ( 0.000 0.449 -0.000) 0.449 33.716 ( -0.000 -0.745 0.000) 0.745 35.570 ( -0.000 -7.132 0.000) 7.132 35.979 ( -0.000 -14.107 0.000) 14.107 36.053 ( 0.000 6.568 -0.000) 6.568 38.793 ( 0.000 5.622 -0.000) 5.622 ======================= Grid point 28 (18/201) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 7.539 -0.000 -4.665) 8.866 1.897 ( 6.794 -0.000 -8.005) 10.500 2.376 ( 1.704 -0.000 6.907) 7.114 2.796 ( 0.327 -0.000 0.358) 0.485 2.985 ( 11.623 -0.000 5.167) 12.720 3.464 ( -0.027 0.000 4.256) 4.256 3.573 ( -3.298 0.000 0.944) 3.431 4.128 ( 11.554 -0.000 5.693) 12.880 4.231 ( -0.231 0.000 5.212) 5.217 4.667 ( -2.467 0.000 -2.801) 3.732 5.065 ( 8.360 -0.000 7.719) 11.379 5.278 ( -0.666 0.000 -7.845) 7.873 5.537 ( 5.691 -0.000 -5.780) 8.112 6.147 ( -15.456 0.000 -5.754) 16.493 6.309 ( 4.684 -0.000 2.128) 5.144 6.898 ( -3.384 0.000 1.026) 3.536 7.242 ( 1.700 -0.000 -0.152) 1.707 8.168 ( -8.000 0.000 -5.606) 9.768 8.592 ( -4.229 0.000 4.324) 6.049 8.949 ( 2.173 -0.000 -5.942) 6.327 9.173 ( -2.965 0.000 -0.037) 2.965 10.224 ( 0.989 -0.000 5.988) 6.070 10.379 ( 4.716 -0.000 8.683) 9.881 10.533 ( -1.391 0.000 -0.371) 1.439 10.554 ( 2.144 -0.000 2.555) 3.335 10.800 ( -3.037 0.000 -8.457) 8.986 10.839 ( -2.341 0.000 2.768) 3.626 11.202 ( 2.353 -0.000 -7.322) 7.691 12.901 ( -0.379 0.000 -0.024) 0.380 12.932 ( 5.790 -0.000 1.335) 5.942 13.456 ( -6.364 0.000 -3.090) 7.075 13.869 ( -0.195 0.000 -0.004) 0.195 14.656 ( 0.403 -0.000 -0.055) 0.407 15.900 ( 0.461 -0.000 0.249) 0.524 16.151 ( -0.963 0.000 0.407) 1.045 16.184 ( -0.156 0.000 0.135) 0.207 16.353 ( -0.349 0.000 1.171) 1.222 16.543 ( 2.669 -0.000 1.743) 3.187 20.174 ( -1.260 0.000 -1.437) 1.912 20.971 ( 3.148 -0.000 0.843) 3.258 22.520 ( 0.828 -0.000 0.642) 1.048 22.768 ( -0.227 0.000 -1.538) 1.555 26.036 ( -0.029 0.000 -0.053) 0.061 26.071 ( -0.020 0.000 0.348) 0.349 29.872 ( 9.152 -0.000 2.135) 9.398 30.392 ( -3.139 0.000 2.305) 3.894 30.771 ( -0.487 0.000 -0.240) 0.543 31.572 ( 3.772 -0.000 1.291) 3.987 32.299 ( -17.173 0.000 -6.865) 18.494 33.603 ( 5.437 -0.000 2.333) 5.916 35.297 ( -3.063 0.000 1.786) 3.545 35.499 ( -4.426 0.000 0.854) 4.507 36.331 ( -1.265 0.000 -4.488) 4.663 38.934 ( 6.918 -0.000 0.805) 6.965 ======================= Grid point 29 (19/201) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 3.394 0.153 -3.774) 5.078 2.013 ( 2.136 -13.877 -6.733) 15.571 2.482 ( 4.138 -2.335 9.381) 10.516 2.693 ( -0.647 11.108 -3.561) 11.683 3.147 ( 9.752 0.608 5.044) 10.996 3.463 ( -1.175 0.536 2.522) 2.833 3.490 ( -6.340 2.275 -2.313) 7.122 4.224 ( 0.273 3.712 4.366) 5.737 4.256 ( 6.628 5.561 2.385) 8.975 4.637 ( -1.826 -3.339 -0.869) 3.904 5.172 ( 5.417 3.293 2.019) 6.653 5.255 ( 0.456 -1.657 -3.623) 4.010 5.534 ( 1.181 5.173 -0.196) 5.310 5.931 ( -9.252 2.064 -4.438) 10.467 6.439 ( 2.395 -9.777 -0.060) 10.066 6.880 ( -1.310 -1.545 0.786) 2.173 7.280 ( 2.635 -1.786 0.427) 3.212 7.986 ( -4.936 10.142 -3.231) 11.733 8.630 ( -2.106 -8.144 2.590) 8.801 8.963 ( 1.193 -1.344 -3.348) 3.800 9.145 ( -1.697 -0.873 -0.003) 1.908 10.252 ( 1.090 1.408 4.581) 4.915 10.457 ( 2.273 3.017 7.194) 8.125 10.482 ( 0.288 3.168 -1.780) 3.645 10.556 ( 1.838 4.153 0.749) 4.603 10.742 ( -2.149 -1.619 -5.585) 6.200 10.797 ( -2.872 1.582 1.230) 3.502 11.192 ( 1.662 1.773 -4.396) 5.023 12.942 ( -0.167 -6.099 0.161) 6.104 13.043 ( 6.287 -2.672 3.384) 7.623 13.356 ( -6.461 0.044 -4.286) 7.754 13.837 ( -0.149 4.178 0.005) 4.181 14.751 ( -0.026 -12.408 -0.321) 12.412 15.894 ( 0.257 1.728 0.176) 1.756 16.136 ( -0.654 0.746 0.191) 1.011 16.187 ( -0.059 -0.537 0.033) 0.541 16.356 ( -0.253 -0.487 0.680) 0.874 16.585 ( 1.394 -1.154 0.999) 2.067 20.140 ( -0.424 2.187 -0.528) 2.290 20.998 ( 1.803 1.355 0.521) 2.315 22.538 ( 0.672 -0.743 0.769) 1.263 22.753 ( -0.333 0.758 -1.203) 1.461 26.034 ( -0.044 0.116 -0.203) 0.238 26.073 ( 0.031 -0.111 0.288) 0.311 29.989 ( 7.477 0.395 1.444) 7.625 30.343 ( -4.255 0.804 0.862) 4.416 30.793 ( -0.411 -3.973 -0.122) 3.996 31.611 ( 2.371 0.311 0.696) 2.490 32.105 ( -10.011 -0.416 -3.984) 10.782 33.666 ( 3.316 -0.039 1.328) 3.572 35.304 ( -0.768 -3.571 1.475) 3.939 35.499 ( -2.771 -5.829 0.456) 6.470 36.283 ( -1.250 2.279 -2.861) 3.865 38.983 ( 3.911 3.106 0.485) 5.018 ======================= Grid point 30 (20/201) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -0.000 -0.012 0.000) 0.012 2.262 ( -0.000 -19.814 0.000) 19.814 2.437 ( 0.000 20.892 -0.000) 20.892 2.581 ( -0.000 -1.564 0.000) 1.564 3.259 ( -0.000 -2.915 0.000) 2.915 3.359 ( 0.000 4.121 -0.000) 4.121 3.451 ( 0.000 2.447 -0.000) 2.447 4.099 ( 0.000 18.397 -0.000) 18.397 4.196 ( 0.000 2.598 -0.000) 2.598 4.734 ( -0.000 -9.678 0.000) 9.678 5.074 ( 0.000 14.664 -0.000) 14.664 5.291 ( -0.000 -2.652 0.000) 2.652 5.472 ( 0.000 3.579 -0.000) 3.579 5.859 ( -0.000 -2.074 0.000) 2.074 6.617 ( -0.000 -12.806 0.000) 12.806 6.901 ( -0.000 -1.039 0.000) 1.039 7.361 ( -0.000 -6.245 0.000) 6.245 7.759 ( 0.000 15.763 -0.000) 15.763 8.745 ( -0.000 -7.580 0.000) 7.580 8.986 ( -0.000 -2.069 0.000) 2.069 9.179 ( -0.000 -6.528 0.000) 6.528 10.236 ( 0.000 4.411 -0.000) 4.411 10.370 ( 0.000 7.244 -0.000) 7.244 10.477 ( 0.000 1.847 -0.000) 1.847 10.505 ( 0.000 4.439 -0.000) 4.439 10.753 ( 0.000 2.060 -0.000) 2.060 10.761 ( -0.000 -4.137 0.000) 4.137 11.155 ( 0.000 3.536 -0.000) 3.536 13.061 ( -0.000 -10.512 0.000) 10.512 13.167 ( -0.000 -5.342 0.000) 5.342 13.275 ( 0.000 1.627 -0.000) 1.627 13.752 ( 0.000 7.534 -0.000) 7.534 14.976 ( -0.000 -18.897 0.000) 18.897 15.862 ( 0.000 2.839 -0.000) 2.839 16.118 ( 0.000 1.246 -0.000) 1.246 16.194 ( -0.000 -0.418 0.000) 0.418 16.365 ( -0.000 -0.683 0.000) 0.683 16.617 ( -0.000 -1.923 0.000) 1.923 20.101 ( 0.000 2.982 -0.000) 2.982 20.981 ( 0.000 2.650 -0.000) 2.650 22.561 ( -0.000 -1.492 0.000) 1.492 22.731 ( 0.000 1.540 -0.000) 1.540 26.031 ( 0.000 0.244 -0.000) 0.244 26.077 ( -0.000 -0.211 0.000) 0.211 30.038 ( 0.000 0.940 -0.000) 0.940 30.290 ( 0.000 1.951 -0.000) 1.951 30.865 ( -0.000 -6.400 0.000) 6.400 31.634 ( -0.000 -0.560 0.000) 0.560 32.027 ( 0.000 0.261 -0.000) 0.261 33.696 ( -0.000 -0.583 0.000) 0.583 35.376 ( -0.000 -6.119 0.000) 6.119 35.599 ( -0.000 -10.882 0.000) 10.882 36.218 ( 0.000 4.552 -0.000) 4.552 38.953 ( 0.000 4.989 -0.000) 4.989 ======================= Grid point 38 (21/201) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.000 -0.000 0.000) 0.000 1.896 ( 0.000 -0.000 0.000) 0.000 2.519 ( 0.000 -0.000 -0.000) 0.000 2.747 ( 0.000 -0.000 0.000) 0.000 3.252 ( -0.000 0.000 0.000) 0.000 3.454 ( 0.000 -0.000 0.000) 0.000 3.459 ( 0.000 -0.000 0.000) 0.000 4.255 ( 0.000 -0.000 0.000) 0.000 4.347 ( 0.000 -0.000 0.000) 0.000 4.614 ( 0.000 -0.000 0.000) 0.000 5.224 ( 0.000 -0.000 0.000) 0.000 5.246 ( 0.000 -0.000 -0.000) 0.000 5.591 ( 0.000 -0.000 -0.000) 0.000 5.868 ( 0.000 -0.000 0.000) 0.000 6.382 ( 0.000 -0.000 0.000) 0.000 6.856 ( 0.000 -0.000 0.000) 0.000 7.282 ( 0.000 -0.000 0.000) 0.000 8.025 ( 0.000 -0.000 0.000) 0.000 8.554 ( 0.000 -0.000 0.000) 0.000 8.956 ( 0.000 -0.000 -0.000) 0.000 9.129 ( 0.000 -0.000 0.000) 0.000 10.276 ( 0.000 -0.000 0.000) 0.000 10.499 ( -0.000 0.000 0.000) 0.000 10.525 ( 0.000 -0.000 0.000) 0.000 10.603 ( 0.000 -0.000 -0.000) 0.000 10.699 ( 0.000 -0.000 0.000) 0.000 10.785 ( 0.000 -0.000 -0.000) 0.000 11.208 ( 0.000 -0.000 -0.000) 0.000 12.897 ( 0.000 -0.000 0.000) 0.000 13.086 ( 0.000 -0.000 0.000) 0.000 13.292 ( 0.000 -0.000 0.000) 0.000 13.866 ( 0.000 -0.000 0.000) 0.000 14.660 ( 0.000 -0.000 0.000) 0.000 15.909 ( 0.000 -0.000 0.000) 0.000 16.138 ( 0.000 -0.000 -0.000) 0.000 16.182 ( 0.000 -0.000 0.000) 0.000 16.352 ( 0.000 -0.000 -0.000) 0.000 16.589 ( 0.000 -0.000 0.000) 0.000 20.150 ( 0.000 -0.000 0.000) 0.000 21.022 ( 0.000 -0.000 0.000) 0.000 22.539 ( 0.000 -0.000 0.000) 0.000 22.754 ( 0.000 -0.000 0.000) 0.000 26.034 ( 0.000 -0.000 -0.000) 0.000 26.073 ( 0.000 -0.000 0.000) 0.000 30.052 ( 0.000 -0.000 0.000) 0.000 30.317 ( 0.000 -0.000 0.000) 0.000 30.762 ( 0.000 -0.000 0.000) 0.000 31.626 ( 0.000 -0.000 0.000) 0.000 32.031 ( 0.000 -0.000 0.000) 0.000 33.688 ( 0.000 -0.000 0.000) 0.000 35.275 ( 0.000 -0.000 0.000) 0.000 35.442 ( 0.000 -0.000 0.000) 0.000 36.285 ( 0.000 -0.000 0.000) 0.000 39.030 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/201) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -12.054 0.000 21.971) 25.061 0.629 ( 43.557 -0.000 34.267) 55.421 1.348 ( -6.773 0.000 57.604) 58.001 3.073 ( 4.276 -0.000 6.434) 7.726 3.176 ( -17.516 0.000 38.484) 42.283 3.402 ( -7.001 0.000 -8.186) 10.772 3.499 ( -9.336 0.000 42.424) 43.439 3.810 ( -0.131 0.000 -1.598) 1.603 4.109 ( 3.409 -0.000 5.942) 6.850 4.849 ( 1.985 -0.000 -4.989) 5.370 5.128 ( -10.843 0.000 6.939) 12.873 5.232 ( -0.010 0.000 -5.414) 5.414 5.423 ( -7.819 0.000 3.910) 8.743 5.925 ( -0.183 0.000 7.428) 7.430 6.404 ( 5.720 -0.000 9.024) 10.684 7.063 ( 1.892 -0.000 -3.859) 4.298 7.221 ( 25.391 -0.000 -0.717) 25.401 8.149 ( -2.447 0.000 -5.112) 5.668 8.594 ( 5.351 -0.000 -11.714) 12.879 9.060 ( 0.055 -0.000 -3.774) 3.775 9.331 ( -0.201 0.000 -4.073) 4.078 10.098 ( 6.840 -0.000 -0.227) 6.843 10.117 ( 1.299 -0.000 -3.096) 3.357 10.328 ( 3.214 -0.000 -5.189) 6.103 10.468 ( -1.077 0.000 -11.089) 11.141 10.737 ( -5.334 0.000 10.828) 12.071 10.988 ( -1.614 0.000 3.403) 3.766 11.225 ( -1.222 0.000 13.084) 13.141 12.993 ( -5.705 0.000 -9.883) 11.412 13.547 ( 4.703 -0.000 4.138) 6.264 13.849 ( 0.587 -0.000 -1.176) 1.314 14.627 ( -0.017 0.000 0.492) 0.492 15.648 ( -32.688 0.000 -10.054) 34.199 15.955 ( 6.432 -0.000 -14.150) 15.543 16.007 ( 2.178 -0.000 -0.391) 2.212 16.366 ( -1.648 0.000 3.615) 3.973 16.441 ( -0.691 0.000 3.300) 3.371 16.559 ( -34.643 0.000 18.070) 39.072 19.933 ( -3.897 0.000 -1.745) 4.270 20.748 ( 1.158 -0.000 -1.542) 1.929 22.519 ( -0.696 0.000 -8.281) 8.310 22.620 ( 4.944 -0.000 -6.665) 8.298 26.257 ( -6.315 0.000 16.954) 18.092 29.648 ( -1.730 0.000 1.098) 2.049 29.985 (-215.731 0.000 -0.286) 215.731 30.201 ( 1.868 -0.000 9.150) 9.338 30.838 ( -1.918 0.000 4.171) 4.591 31.177 ( 3.100 -0.000 -4.855) 5.761 32.719 ( 81.754 -0.000 -4.151) 81.859 33.667 ( -2.401 0.000 -7.706) 8.071 35.817 ( 0.495 -0.000 0.321) 0.589 35.827 ( -2.677 0.000 0.994) 2.856 36.235 ( 0.223 -0.000 -1.386) 1.404 36.631 ( 79.565 -0.000 -1.894) 79.588 ======================= Grid point 68 (23/201) ======================= q-point: ( 0.12 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 9.237 -22.992 9.217) 26.437 1.368 ( 33.329 -9.535 29.703) 45.651 1.709 ( 3.255 -16.089 47.644) 50.392 3.058 ( -5.913 1.754 11.784) 13.301 3.125 ( -18.126 -2.217 36.353) 40.682 3.373 ( 0.613 -2.211 -2.588) 3.459 3.563 ( -10.436 -0.727 28.624) 30.475 3.843 ( -1.173 -5.344 -0.935) 5.550 4.129 ( 3.325 4.707 5.132) 7.717 4.784 ( -1.114 1.683 -1.237) 2.367 5.004 ( -4.809 4.549 8.377) 10.677 5.231 ( 0.257 -0.542 -5.429) 5.462 5.352 ( -4.404 -0.998 0.623) 4.558 6.053 ( -0.243 -9.363 5.513) 10.868 6.506 ( -0.242 -4.876 7.657) 9.081 7.031 ( 0.499 3.555 -2.961) 4.654 7.526 ( 24.903 12.454 -15.172) 31.709 8.027 ( -1.331 6.589 -7.862) 10.344 8.630 ( 5.642 -1.792 -10.926) 12.427 9.050 ( -0.896 -1.028 -5.665) 5.827 9.400 ( -3.180 -11.824 -8.180) 14.725 10.135 ( 1.613 -1.973 -3.344) 4.204 10.173 ( 4.346 0.683 -0.619) 4.443 10.308 ( 3.408 6.455 -2.117) 7.600 10.414 ( 0.485 0.197 -8.994) 9.009 10.741 ( -1.572 0.740 12.430) 12.551 10.974 ( -1.537 0.357 0.896) 1.814 11.261 ( -1.677 0.126 11.582) 11.704 12.898 ( -4.192 -2.086 -10.454) 11.454 13.594 ( 1.853 2.635 4.918) 5.879 13.822 ( 0.493 4.641 -0.383) 4.683 14.078 ( -28.580 38.199 37.112) 60.442 15.265 ( -36.285 -25.756 3.532) 44.637 15.972 ( 7.671 1.490 -12.265) 14.543 16.010 ( -3.037 0.713 3.727) 4.861 16.164 ( -4.134 6.381 10.270) 12.778 16.361 ( -2.377 -0.742 2.778) 3.730 16.558 ( -7.655 -9.267 3.897) 12.636 19.951 ( 6.455 2.744 -7.569) 10.319 20.775 ( 2.466 -1.133 -1.507) 3.105 22.488 ( -0.019 -0.752 -7.638) 7.675 22.668 ( 3.692 -1.975 -6.222) 7.499 26.248 ( -6.395 -0.217 16.808) 17.985 27.377 ( -81.901 45.935 78.048) 122.103 29.763 ( -11.872 -11.184 0.349) 16.314 30.305 ( 3.622 -1.865 11.012) 11.741 30.947 ( -8.053 -12.986 -2.872) 15.548 31.211 ( 3.398 -0.817 -3.666) 5.065 32.881 ( 23.304 24.089 -0.077) 33.516 33.547 ( -9.409 0.285 -10.516) 14.114 35.723 ( -7.450 2.178 -1.179) 7.850 35.828 ( -0.507 -0.624 0.917) 1.220 36.339 ( 0.339 -6.132 -2.726) 6.719 37.830 ( 40.437 -25.204 -37.993) 60.941 ======================= Grid point 69 (24/201) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 11.436 -21.754 4.250) 24.942 1.965 ( 10.313 -16.331 30.781) 36.339 2.026 ( 1.429 0.839 23.014) 23.074 3.073 ( -9.159 -2.448 28.894) 30.410 3.153 ( -9.108 -9.658 28.562) 31.497 3.338 ( 2.193 6.112 -8.658) 10.822 3.550 ( -6.826 3.414 29.491) 30.463 3.884 ( -1.695 -3.892 -0.078) 4.246 4.159 ( 1.250 -1.938 5.144) 5.637 4.751 ( 2.701 4.423 0.255) 5.189 4.982 ( -1.636 -2.302 8.998) 9.431 5.169 ( -2.028 3.147 -5.381) 6.555 5.387 ( 2.005 -4.848 -1.965) 5.602 6.216 ( 3.110 -9.100 2.796) 10.015 6.545 ( -3.245 2.509 4.010) 5.736 7.009 ( -1.136 -4.060 1.205) 4.385 7.395 ( -2.735 13.203 -8.049) 15.703 7.886 ( 4.977 13.230 -8.927) 16.718 8.683 ( 5.663 -1.165 -9.733) 11.321 9.022 ( -0.338 -0.645 -7.283) 7.319 9.453 ( -7.095 -10.129 -5.304) 13.456 10.139 ( 0.722 6.981 -2.034) 7.307 10.167 ( 2.813 2.289 -6.042) 7.047 10.253 ( 3.143 2.486 -3.602) 5.389 10.425 ( 0.576 -2.126 3.981) 4.550 10.757 ( 0.625 4.277 11.444) 12.233 10.955 ( -1.322 -0.933 -1.267) 2.055 11.271 ( -3.788 -0.004 9.541) 10.265 12.864 ( -1.033 -3.765 -8.945) 9.760 13.512 ( -12.975 6.935 24.094) 28.231 13.642 ( -4.531 6.214 5.561) 9.491 13.771 ( -0.161 6.449 2.894) 7.070 15.271 ( -15.307 -17.466 -1.413) 23.267 15.955 ( -3.713 2.756 7.668) 8.955 16.014 ( 8.103 0.197 -12.917) 15.250 16.143 ( 1.489 1.359 2.307) 3.063 16.357 ( -1.854 -1.126 1.817) 2.830 16.600 ( -3.477 -4.815 3.120) 6.709 19.930 ( 3.587 4.105 -6.913) 8.804 20.821 ( 2.631 -1.497 -1.823) 3.534 22.474 ( 0.995 -0.772 -6.413) 6.535 22.706 ( 2.047 -1.403 -4.800) 5.403 26.243 ( -6.548 -0.540 17.546) 18.736 26.634 ( -29.950 13.648 49.335) 59.306 29.766 ( -6.137 -5.246 2.235) 8.377 30.415 ( 2.604 -0.898 10.884) 11.227 31.003 ( -4.160 -8.570 -3.778) 10.248 31.247 ( 3.825 0.598 -2.984) 4.888 32.881 ( 17.887 13.709 0.506) 22.542 33.348 ( -13.180 -0.317 -12.095) 17.892 35.592 ( -7.116 1.601 -1.363) 7.421 35.833 ( -0.727 -0.633 0.946) 1.351 36.405 ( 1.712 -3.064 -2.479) 4.297 38.222 ( 14.264 -7.826 -22.720) 27.945 ======================= Grid point 70 (25/201) ======================= q-point: ( 0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 8.260 -12.618 5.878) 16.186 1.941 ( -14.808 3.581 20.376) 25.442 2.375 ( 6.542 -9.375 7.253) 13.538 3.105 ( -13.263 -2.315 40.197) 42.392 3.209 ( -2.054 0.935 7.729) 8.052 3.341 ( 0.699 -0.895 10.394) 10.455 3.512 ( -4.771 7.153 22.447) 24.037 3.926 ( -1.498 -4.047 1.713) 4.643 4.215 ( -2.108 -0.433 7.704) 7.999 4.804 ( 6.151 -3.649 3.366) 7.905 5.039 ( -1.248 1.942 -0.025) 2.309 5.077 ( -0.685 0.595 3.077) 3.208 5.482 ( 2.960 -4.038 -0.546) 5.037 6.343 ( 1.107 6.468 -2.976) 7.205 6.477 ( -0.308 -9.759 1.004) 9.816 7.099 ( -7.053 -3.237 -1.197) 7.853 7.145 ( -3.208 2.880 0.922) 4.409 7.699 ( 2.400 14.335 -4.731) 15.285 8.718 ( 5.245 0.397 -9.223) 10.618 9.004 ( 1.322 -0.614 -8.559) 8.682 9.505 ( -5.698 -12.310 -1.667) 13.667 9.989 ( 1.607 15.496 4.459) 16.205 10.110 ( 1.623 2.648 -12.407) 12.790 10.287 ( 3.328 -0.965 -2.822) 4.468 10.500 ( -1.181 -4.193 10.322) 11.204 10.725 ( 1.734 6.830 4.993) 8.637 10.964 ( -1.623 -2.930 0.955) 3.483 11.248 ( -6.058 -0.580 7.895) 9.968 12.901 ( 2.547 -4.046 -4.858) 6.817 13.435 ( -8.463 -3.363 15.276) 17.784 13.547 ( -1.840 4.816 -0.966) 5.245 13.692 ( -0.232 6.324 2.867) 6.947 15.317 ( -6.519 -9.769 -2.948) 12.109 15.908 ( -2.832 2.471 7.516) 8.403 16.061 ( 7.335 0.146 -11.534) 13.670 16.151 ( 0.659 0.750 0.789) 1.273 16.361 ( -1.108 -1.142 1.592) 2.251 16.630 ( -1.429 -2.151 2.389) 3.517 19.892 ( 2.371 2.341 -4.881) 5.910 20.860 ( 2.009 -0.829 -2.333) 3.189 22.481 ( 2.202 -0.609 -4.868) 5.377 22.719 ( 0.666 -0.825 -4.256) 4.386 26.250 ( -6.698 -1.277 19.895) 21.031 26.415 ( -15.130 5.072 33.556) 37.157 29.775 ( -2.667 -2.215 3.753) 5.109 30.478 ( -0.202 0.447 9.541) 9.553 31.054 ( -1.675 -6.261 -4.040) 7.637 31.262 ( 3.923 2.605 -3.068) 5.620 32.922 ( 6.577 4.790 -3.872) 9.010 33.164 ( -4.613 0.605 -8.796) 9.951 35.503 ( -3.080 0.871 -0.104) 3.202 35.835 ( -0.768 -0.392 0.703) 1.112 36.447 ( 0.176 -2.647 -2.469) 3.624 38.336 ( 7.883 -1.602 -15.920) 17.836 ======================= Grid point 71 (26/201) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -5.801 7.966 5.090) 11.091 1.817 ( -12.531 4.363 21.449) 25.222 2.489 ( 4.725 -5.768 -16.367) 17.986 3.078 ( -11.865 7.327 29.004) 32.183 3.307 ( 0.622 -0.204 22.882) 22.892 3.355 ( -8.173 -0.725 26.796) 28.024 3.478 ( -4.796 -3.233 14.378) 15.498 3.957 ( -3.387 -3.318 2.592) 5.404 4.169 ( -1.899 6.020 5.252) 8.211 4.878 ( -5.015 8.143 -6.878) 11.780 4.914 ( 1.333 0.600 1.158) 1.865 5.193 ( 2.786 -6.648 10.560) 12.785 5.552 ( 0.082 -2.000 2.779) 3.425 6.251 ( 0.537 -0.461 -2.664) 2.756 6.654 ( 1.649 -3.783 -3.529) 5.430 6.946 ( -1.829 -0.865 -0.671) 2.132 7.163 ( -3.833 2.724 0.759) 4.763 7.606 ( 1.942 -1.767 0.217) 2.635 8.725 ( 5.063 2.535 -9.596) 11.142 8.999 ( 1.748 -1.135 -8.581) 8.831 9.653 ( -1.686 -15.565 -0.221) 15.658 9.811 ( 2.698 16.361 6.901) 17.960 10.050 ( 2.738 2.253 -11.991) 12.505 10.312 ( 1.795 0.780 -2.687) 3.324 10.587 ( -0.979 -2.918 10.795) 11.225 10.675 ( 1.873 3.844 0.132) 4.278 10.993 ( -1.951 -2.607 3.861) 5.051 11.205 ( -7.868 -1.987 6.369) 10.316 12.992 ( 5.201 -2.678 0.497) 5.871 13.447 ( -2.770 2.660 4.215) 5.703 13.486 ( -3.750 -4.888 2.649) 6.706 13.617 ( -1.835 3.141 3.156) 4.816 15.352 ( -0.246 -3.074 -2.519) 3.981 15.879 ( -2.256 1.280 6.972) 7.439 16.091 ( 5.736 1.109 -10.221) 11.773 16.143 ( -0.576 0.572 -0.307) 0.868 16.374 ( -0.406 -0.799 2.198) 2.374 16.642 ( -0.060 0.360 1.809) 1.846 19.896 ( 2.413 -1.051 -3.125) 4.086 20.870 ( 0.859 0.540 -2.695) 2.880 22.505 ( 3.335 -0.203 -3.383) 4.755 22.710 ( -0.455 -0.418 -4.668) 4.709 26.283 ( -6.970 -2.514 24.316) 25.420 26.340 ( -9.799 1.676 27.483) 29.226 29.793 ( 0.420 0.323 5.108) 5.135 30.474 ( -3.564 1.882 7.535) 8.546 31.098 ( -0.212 -4.024 -3.926) 5.626 31.247 ( 4.094 4.649 -3.326) 7.031 32.817 ( -14.280 -5.104 -12.882) 19.897 33.208 ( 15.448 3.385 -0.465) 15.822 35.495 ( 2.399 0.121 1.712) 2.950 35.831 ( -0.658 -0.087 0.368) 0.759 36.462 ( -2.412 -2.980 -2.424) 4.536 38.357 ( 6.274 1.938 -15.082) 16.450 ======================= Grid point 72 (27/201) ======================= q-point: (-0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -15.179 18.340 -2.554) 23.943 1.607 ( -11.300 13.893 17.120) 24.774 2.584 ( 3.812 -5.783 -13.566) 15.231 2.811 ( -14.775 20.661 23.095) 34.331 3.333 ( -8.538 -1.049 23.870) 25.372 3.397 ( -10.621 0.911 43.601) 44.885 3.609 ( -0.780 -8.083 10.426) 13.215 3.949 ( -4.787 -1.751 0.990) 5.192 4.076 ( 0.308 6.542 0.866) 6.606 4.695 ( -3.721 3.050 -5.891) 7.606 4.877 ( 1.043 4.399 -0.340) 4.534 5.326 ( -1.310 -4.136 5.645) 7.120 5.573 ( -3.081 -1.134 7.781) 8.445 6.333 ( -0.530 -8.660 -2.675) 9.079 6.547 ( -1.640 11.761 3.136) 12.282 6.980 ( 1.305 7.060 -3.783) 8.116 7.153 ( 1.978 -12.817 -2.291) 13.170 7.742 ( 1.583 -11.566 -1.489) 11.768 8.695 ( 4.493 4.263 -9.828) 11.617 9.013 ( 2.404 -2.275 -8.384) 9.013 9.672 ( 5.437 14.600 6.779) 16.991 9.874 ( 1.130 -15.489 -0.749) 15.549 10.018 ( 4.200 1.882 -9.833) 10.857 10.284 ( -0.599 2.016 -4.041) 4.556 10.604 ( 4.446 4.663 -3.419) 7.295 10.711 ( -3.698 -5.474 11.349) 13.132 11.011 ( -2.006 -0.396 4.913) 5.321 11.168 ( -8.234 -4.168 5.994) 11.005 13.097 ( 5.233 -0.242 5.998) 7.964 13.420 ( -2.257 -2.909 -1.400) 3.939 13.474 ( -3.201 2.449 11.028) 11.741 13.643 ( -1.872 -7.503 2.138) 8.023 15.383 ( 6.135 2.963 0.843) 6.866 15.875 ( -1.813 -0.596 5.716) 6.026 16.086 ( 3.973 2.582 -9.021) 10.190 16.121 ( -1.135 0.129 -1.777) 2.113 16.389 ( -0.239 -0.171 3.294) 3.307 16.634 ( 1.469 2.972 1.768) 3.758 19.955 ( 2.010 -4.606 -2.321) 5.535 20.846 ( -0.273 1.706 -2.631) 3.147 22.540 ( 4.220 0.480 -2.365) 4.862 22.681 ( -1.135 -0.127 -5.830) 5.941 26.293 ( -7.501 0.799 21.032) 22.344 26.415 ( -7.308 -7.758 40.382) 41.764 29.824 ( 3.779 2.493 6.887) 8.242 30.402 ( -6.392 3.004 5.328) 8.847 31.129 ( 0.928 -2.100 -3.566) 4.241 31.215 ( 5.984 7.048 -2.556) 9.592 32.651 ( -17.712 -9.208 -15.291) 25.146 33.386 ( 16.351 1.399 -0.007) 16.410 35.569 ( 7.162 -0.093 3.053) 7.787 35.825 ( -0.577 -0.045 0.206) 0.614 36.448 ( -4.761 -3.072 -2.399) 6.153 38.312 ( 6.493 6.077 -19.458) 21.394 ======================= Grid point 73 (28/201) ======================= q-point: (-0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -17.189 22.283 -5.465) 28.668 1.269 ( -13.766 20.252 10.675) 26.714 2.188 ( -25.878 32.063 19.996) 45.799 2.763 ( 6.503 -4.254 3.719) 8.615 3.321 ( -12.730 1.043 32.274) 34.709 3.435 ( -12.095 -0.949 40.320) 42.106 3.724 ( 2.591 -0.513 7.830) 8.263 3.903 ( -3.503 -0.313 -1.466) 3.811 4.009 ( 0.347 3.052 -3.514) 4.667 4.642 ( 1.889 0.542 -7.155) 7.420 4.888 ( 1.352 -4.261 4.138) 6.091 5.329 ( -3.100 -0.043 -0.816) 3.206 5.576 ( -6.569 -1.864 11.647) 13.501 6.353 ( -7.417 -2.195 -3.490) 8.485 6.375 ( 2.380 16.480 8.565) 18.725 6.942 ( 4.298 0.000 -2.384) 4.915 7.323 ( -5.089 -13.924 -11.338) 18.663 7.920 ( 3.392 -10.597 -3.767) 11.747 8.645 ( 4.096 4.352 -10.156) 11.784 9.047 ( 3.115 -2.089 -7.778) 8.635 9.588 ( 7.425 12.948 2.544) 15.142 10.006 ( 5.502 1.801 -7.499) 9.473 10.087 ( 2.672 -8.499 -2.658) 9.297 10.226 ( -1.760 -0.583 -5.844) 6.131 10.574 ( 2.683 2.747 -7.772) 8.668 10.778 ( -5.310 -3.752 13.622) 15.094 10.992 ( -2.535 0.384 2.676) 3.707 11.170 ( -5.634 -3.879 8.452) 10.873 13.168 ( 0.944 0.667 4.810) 4.947 13.386 ( -0.626 -1.210 -4.239) 4.453 13.626 ( -3.050 -16.522 34.123) 38.035 13.742 ( -0.616 -7.458 0.131) 7.485 15.457 ( 14.831 6.902 8.376) 18.378 15.894 ( -1.425 -2.026 3.514) 4.299 16.049 ( 3.442 3.743 -8.667) 10.048 16.099 ( -1.953 -1.089 -1.242) 2.558 16.397 ( -0.820 0.512 4.422) 4.527 16.619 ( 4.742 5.737 2.647) 7.900 20.039 ( -0.981 -7.199 -3.257) 7.963 20.801 ( -0.847 1.878 -2.169) 2.991 22.574 ( 4.316 1.378 -1.910) 4.917 22.638 ( -0.708 0.202 -7.952) 7.986 26.277 ( -6.726 0.546 18.957) 20.122 26.774 ( -5.017 -26.768 73.101) 78.010 29.884 ( 7.948 4.404 9.910) 13.446 30.286 ( -7.240 3.142 4.010) 8.852 31.151 ( 0.013 -2.608 -5.848) 6.403 31.198 ( 14.876 13.058 3.013) 20.022 32.481 ( -22.702 -12.622 -19.546) 32.507 33.562 ( 12.435 0.014 -1.617) 12.540 35.690 ( 9.349 0.577 3.060) 9.854 35.821 ( -0.784 -0.507 0.416) 1.022 36.410 ( -5.270 -2.200 -2.282) 6.150 38.146 ( 6.683 16.542 -33.896) 38.304 ======================= Grid point 74 (29/201) ======================= q-point: (-0.12 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 1.013 23.476 10.191) 25.613 0.780 ( -19.860 23.462 7.438) 31.626 1.521 ( -20.964 30.443 43.173) 56.835 2.939 ( 6.728 -4.257 5.891) 9.904 3.253 ( -15.312 2.957 36.033) 39.263 3.442 ( -14.098 -0.236 38.147) 40.670 3.676 ( -0.976 11.940 -6.115) 13.450 3.852 ( -0.571 4.001 -0.725) 4.106 4.012 ( 1.075 -4.494 2.032) 5.048 4.706 ( 8.661 -4.788 -2.790) 10.282 5.036 ( 0.280 -10.199 6.740) 12.228 5.274 ( -1.872 0.945 -3.912) 4.439 5.538 ( -11.910 -2.283 9.274) 15.266 6.128 ( -1.870 18.133 -4.113) 18.687 6.320 ( 3.326 6.062 13.629) 15.283 7.016 ( 3.014 -3.556 -3.554) 5.862 7.251 ( -16.528 -4.274 -13.008) 21.463 8.090 ( 3.944 -7.769 -3.066) 9.237 8.600 ( 4.569 3.004 -11.127) 12.398 9.073 ( 2.561 -0.229 -6.541) 7.028 9.466 ( 3.986 14.815 -5.173) 16.190 10.029 ( 6.326 1.457 -4.053) 7.653 10.124 ( 1.633 1.745 -3.016) 3.848 10.273 ( 1.393 -6.753 -6.429) 9.428 10.527 ( -0.506 0.634 -9.426) 9.461 10.777 ( -7.055 -0.347 10.743) 12.856 10.985 ( -1.322 -0.812 3.456) 3.788 11.192 ( -2.963 -1.113 11.301) 11.736 13.111 ( -4.847 1.406 -6.553) 8.271 13.451 ( 4.758 -2.028 3.650) 6.331 13.818 ( 0.111 -4.301 -0.948) 4.405 14.191 ( -4.723 -44.338 35.246) 56.837 15.701 ( 21.618 -1.370 9.116) 23.501 15.909 ( -1.386 -2.476 -3.222) 4.293 16.007 ( 3.708 3.626 -6.305) 8.164 16.143 ( -0.337 -9.601 13.339) 16.438 16.391 ( -1.842 0.528 5.035) 5.387 16.634 ( 12.642 9.696 6.381) 17.162 20.061 ( -9.858 -6.317 -6.711) 13.495 20.761 ( -0.567 1.095 -1.797) 2.179 22.572 ( -1.018 0.713 -5.194) 5.341 22.609 ( 5.083 2.395 -8.256) 9.986 26.266 ( -6.388 0.244 17.671) 18.792 28.074 ( 8.500 -115.400 122.866) 168.776 30.020 ( 14.372 0.672 19.361) 24.121 30.189 ( -4.647 1.358 5.253) 7.144 31.152 ( 1.896 -0.496 -6.789) 7.066 31.319 ( 43.626 22.285 13.557) 50.830 32.170 ( -42.955 -11.032 -30.939) 54.074 33.670 ( 5.618 -0.277 -4.432) 7.161 35.790 ( 6.321 1.790 0.718) 6.609 35.825 ( -1.190 -1.524 1.435) 2.408 36.373 ( 0.034 0.340 -1.253) 1.299 37.497 ( -5.181 62.985 -66.030) 91.399 ======================= Grid point 76 (30/201) ======================= q-point: ( 0.12 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 20.338 -0.000 12.947) 24.109 1.682 ( 6.288 -0.000 41.404) 41.879 2.084 ( 32.277 -0.000 34.836) 47.490 2.944 ( -10.614 0.000 1.515) 10.722 3.047 ( -18.848 0.000 42.072) 46.101 3.421 ( 7.916 -0.000 -2.848) 8.412 3.575 ( -11.138 0.000 40.427) 41.933 3.797 ( 0.474 -0.000 -1.601) 1.669 4.228 ( 1.531 -0.000 6.088) 6.278 4.725 ( -3.836 0.000 0.311) 3.849 5.028 ( -3.355 0.000 8.057) 8.727 5.206 ( 1.739 -0.000 -7.820) 8.011 5.294 ( -2.826 0.000 -0.303) 2.842 6.050 ( 4.013 -0.000 8.222) 9.150 6.513 ( 1.094 -0.000 6.521) 6.612 7.041 ( -0.991 0.000 -4.044) 4.164 7.664 ( -8.128 0.000 -16.782) 18.647 8.134 ( 15.939 -0.000 -22.069) 27.223 8.644 ( 6.127 -0.000 -10.293) 11.978 8.978 ( -4.695 0.000 -2.163) 5.169 9.272 ( -0.698 0.000 -5.830) 5.871 10.133 ( 2.157 -0.000 -1.883) 2.863 10.210 ( 2.272 -0.000 -4.555) 5.090 10.395 ( 3.755 -0.000 -1.770) 4.152 10.414 ( 4.049 -0.000 -6.376) 7.553 10.807 ( 2.067 -0.000 12.677) 12.844 10.947 ( -2.755 0.000 -1.134) 2.979 11.272 ( -3.534 0.000 8.566) 9.267 12.799 ( -2.068 0.000 -8.740) 8.982 13.641 ( 0.276 -0.000 1.035) 1.071 13.860 ( 0.665 -0.000 -0.755) 1.006 14.087 ( -63.095 0.000 58.773) 86.228 14.632 ( 0.227 -0.000 0.116) 0.255 15.991 ( -4.273 0.000 6.383) 7.681 16.021 ( 7.457 -0.000 -13.259) 15.212 16.183 ( -3.122 0.000 6.316) 7.045 16.338 ( -1.743 0.000 1.560) 2.340 16.477 ( 0.247 -0.000 5.448) 5.454 20.036 ( 7.543 -0.000 -12.989) 15.020 20.797 ( 3.091 -0.000 -1.404) 3.395 22.459 ( 1.130 -0.000 -6.442) 6.540 22.674 ( 3.858 -0.000 -7.525) 8.456 26.236 ( -6.299 0.000 16.416) 17.583 26.961 ( -60.820 0.000 62.656) 87.320 29.622 ( -0.005 0.000 2.461) 2.461 30.390 ( 3.745 -0.000 12.007) 12.577 30.823 ( -1.738 0.000 3.410) 3.827 31.262 ( 6.277 -0.000 -3.665) 7.268 33.156 ( 0.968 -0.000 -7.290) 7.353 33.369 ( -9.401 0.000 -10.237) 13.899 35.645 ( -9.047 0.000 -0.405) 9.056 35.776 ( -3.924 0.000 0.929) 4.032 36.282 ( 2.770 -0.000 -3.149) 4.194 38.087 ( 34.799 -0.000 -26.046) 43.467 ======================= Grid point 77 (31/201) ======================= q-point: ( 0.25 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 17.991 -10.063 8.007) 22.115 1.947 ( -1.101 -6.203 35.040) 35.601 2.410 ( 14.019 15.456 19.965) 28.879 2.984 ( -11.864 -7.458 30.514) 33.578 3.038 ( -5.654 -9.786 25.657) 28.036 3.467 ( 6.993 5.081 -3.321) 9.260 3.624 ( -7.053 -0.162 36.779) 37.450 3.829 ( 2.177 -2.288 -1.199) 3.378 4.217 ( 0.575 4.671 4.786) 6.712 4.741 ( -1.489 -5.064 -0.151) 5.281 5.008 ( -0.924 1.679 9.832) 10.017 5.170 ( 0.303 2.540 -7.083) 7.531 5.335 ( 2.860 -5.446 -1.296) 6.287 6.178 ( 4.611 -5.364 6.062) 9.316 6.535 ( -3.587 0.394 2.453) 4.363 6.985 ( -1.624 1.673 -2.991) 3.792 7.392 ( -12.322 7.048 -9.073) 16.847 8.113 ( 7.394 11.035 -17.343) 21.845 8.699 ( 6.066 -1.544 -8.930) 10.905 8.927 ( -5.072 -3.706 -3.482) 7.182 9.266 ( -2.453 -4.088 -5.031) 6.931 10.149 ( 2.259 1.509 -5.275) 5.934 10.225 ( 4.058 -1.653 -6.133) 7.538 10.373 ( 3.355 7.392 -2.041) 8.371 10.456 ( 2.486 0.366 3.789) 4.547 10.875 ( 1.121 2.762 8.623) 9.124 10.903 ( -1.958 -0.983 -0.199) 2.199 11.245 ( -5.378 0.009 6.084) 8.120 12.783 ( 1.495 -2.939 -6.052) 6.893 13.537 ( -21.881 9.951 31.453) 39.586 13.646 ( -9.155 2.151 7.378) 11.953 13.846 ( 0.092 3.326 0.831) 3.429 14.818 ( -6.038 -21.070 0.964) 21.939 15.960 ( -3.536 1.003 6.636) 7.586 16.058 ( 6.715 -0.117 -12.352) 14.060 16.175 ( -0.402 0.673 2.399) 2.524 16.332 ( -0.540 -0.671 0.431) 0.963 16.529 ( -0.684 -3.196 5.471) 6.373 20.027 ( 5.210 4.751 -10.529) 12.672 20.837 ( 3.270 -0.549 -1.490) 3.635 22.460 ( 2.006 -0.573 -4.763) 5.200 22.692 ( 2.680 -0.859 -7.349) 7.869 26.228 ( -6.273 -0.323 16.914) 18.042 26.582 ( -28.491 5.204 44.338) 52.960 29.680 ( 1.308 -3.486 3.689) 5.241 30.479 ( 1.170 -0.306 11.452) 11.515 30.854 ( -2.064 -5.210 1.631) 5.836 31.325 ( 6.955 1.237 -3.535) 7.899 32.985 ( -15.767 0.340 -12.824) 20.327 33.289 ( 7.027 5.477 -3.884) 9.719 35.515 ( -7.230 1.370 0.297) 7.365 35.768 ( -4.686 -4.921 0.764) 6.838 36.318 ( -0.248 -3.606 -4.709) 5.936 38.347 ( 21.418 1.223 -17.526) 27.702 ======================= Grid point 78 (32/201) ======================= q-point: ( 0.38 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 12.840 -13.088 6.229) 19.364 2.002 ( -5.293 8.805 22.343) 24.592 2.450 ( 5.787 4.914 11.489) 13.771 3.028 ( -15.440 -6.383 45.869) 48.817 3.190 ( -5.355 -2.587 15.968) 17.040 3.481 ( 5.946 5.185 2.465) 8.265 3.655 ( -3.974 5.102 20.736) 21.721 3.891 ( 2.886 -0.004 2.888) 4.083 4.211 ( -0.409 -0.507 6.646) 6.678 4.799 ( -0.188 -5.369 2.723) 6.022 5.043 ( -0.729 1.255 0.148) 1.458 5.123 ( 2.776 1.354 3.202) 4.449 5.455 ( 3.291 -4.984 0.439) 5.989 6.361 ( -3.834 -4.765 4.233) 7.438 6.381 ( -1.414 1.633 -5.436) 5.850 6.970 ( -3.130 -2.806 -1.851) 4.593 7.167 ( -2.719 4.980 -2.192) 6.083 7.915 ( 1.034 15.032 -9.418) 17.769 8.752 ( 5.218 -0.355 -6.836) 8.607 8.926 ( -1.999 -5.252 -7.690) 9.524 9.288 ( -3.800 -7.754 -1.218) 8.720 10.105 ( 2.832 4.061 -9.041) 10.307 10.268 ( 4.630 11.443 -1.279) 12.410 10.305 ( 3.611 -2.128 -1.935) 4.616 10.495 ( -0.414 -0.323 8.339) 8.356 10.813 ( -2.248 1.934 -5.063) 5.868 10.943 ( 0.712 1.098 11.905) 11.976 11.189 ( -6.463 0.170 4.245) 7.735 12.865 ( 5.059 -5.064 -2.647) 7.632 13.358 ( -12.599 0.148 22.597) 25.872 13.548 ( -4.722 2.561 -3.122) 6.213 13.785 ( -0.381 5.772 1.781) 6.053 15.027 ( -4.319 -18.162 -1.242) 18.710 15.930 ( -2.754 1.681 6.882) 7.601 16.091 ( 5.039 -0.641 -10.401) 11.575 16.166 ( -0.619 0.806 0.400) 1.092 16.346 ( 0.601 -0.946 0.168) 1.134 16.584 ( -0.845 -3.188 3.829) 5.054 19.975 ( 4.346 5.227 -7.064) 9.803 20.876 ( 2.872 -0.041 -1.774) 3.376 22.485 ( 2.765 -0.950 -3.116) 4.273 22.698 ( 1.278 -0.477 -6.616) 6.755 26.232 ( -6.312 -1.025 18.883) 19.937 26.417 ( -15.529 3.137 32.708) 36.343 29.766 ( 3.042 -1.937 5.102) 6.248 30.515 ( -2.245 0.892 9.891) 10.182 30.917 ( -1.907 -6.727 -0.613) 7.019 31.369 ( 6.883 2.981 -3.741) 8.382 32.711 ( -19.028 -2.330 -13.837) 23.643 33.332 ( 12.112 4.650 -2.168) 13.154 35.451 ( -3.607 -1.800 1.716) 4.382 35.786 ( -3.610 -4.721 0.493) 5.964 36.323 ( -4.010 -4.130 -5.684) 8.089 38.471 ( 15.795 4.973 -13.146) 21.143 ======================= Grid point 79 (33/201) ======================= q-point: (-0.50 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -6.287 0.520 21.263) 22.179 1.894 ( 10.542 14.127 5.721) 18.532 2.447 ( 0.889 1.040 -2.179) 2.573 3.101 ( -13.447 0.290 36.496) 38.896 3.270 ( -1.673 -9.569 17.529) 20.041 3.445 ( -1.814 7.444 11.909) 14.161 3.576 ( -4.845 8.081 18.509) 20.769 3.894 ( -2.335 1.494 3.666) 4.596 4.224 ( -1.664 1.726 5.127) 5.660 4.904 ( -0.227 -4.977 4.173) 6.499 4.910 ( -3.757 9.165 -6.689) 11.952 5.212 ( 3.252 -2.152 6.776) 7.818 5.536 ( -0.425 -2.027 4.712) 5.147 6.167 ( -9.326 -0.816 -1.811) 9.536 6.602 ( 7.590 -10.091 -5.064) 13.604 6.904 ( -3.642 1.409 -0.243) 3.913 7.181 ( 4.571 -0.474 0.249) 4.602 7.690 ( -1.262 10.638 -2.669) 11.040 8.779 ( 4.248 1.533 -6.508) 7.921 8.938 ( 0.146 -3.730 -10.446) 11.093 9.405 ( -2.567 -14.539 2.136) 14.917 10.041 ( 3.041 6.776 -3.483) 8.203 10.151 ( 5.474 10.620 -4.797) 12.874 10.352 ( 2.323 2.095 -0.955) 3.270 10.538 ( -2.187 -4.438 6.766) 8.382 10.743 ( -0.550 2.348 -5.389) 5.904 10.991 ( -0.139 0.063 14.022) 14.023 11.114 ( -6.598 0.605 2.950) 7.253 13.018 ( 7.237 -5.255 1.163) 9.019 13.363 ( -5.945 -6.127 10.775) 13.747 13.430 ( -5.344 2.216 -4.166) 7.130 13.693 ( -1.417 7.000 3.711) 8.049 15.213 ( -0.151 -13.737 -2.784) 14.017 15.901 ( -2.664 1.835 7.429) 8.103 16.112 ( 2.980 -0.353 -7.622) 8.192 16.139 ( -0.861 0.890 -2.291) 2.604 16.371 ( 0.786 -0.895 1.140) 1.649 16.628 ( -0.407 -2.414 1.740) 3.003 19.945 ( 4.202 3.097 -4.330) 6.782 20.890 ( 1.870 1.305 -2.072) 3.081 22.528 ( 3.257 -1.166 -1.916) 3.955 22.682 ( 0.220 0.234 -6.062) 6.070 26.261 ( -6.688 -2.392 23.013) 24.084 26.348 ( -10.471 1.423 26.943) 28.941 29.854 ( 4.764 -0.014 6.582) 8.125 30.478 ( -5.626 2.336 7.675) 9.798 30.982 ( -1.433 -6.441 -2.519) 7.063 31.392 ( 7.579 4.340 -3.484) 9.403 32.462 ( -18.291 -4.460 -13.588) 23.218 33.437 ( 12.720 2.127 -2.011) 13.053 35.487 ( 0.043 -4.625 3.208) 5.629 35.813 ( -0.946 -3.044 0.307) 3.202 36.288 ( -7.696 -5.153 -6.048) 11.062 38.514 ( 13.645 7.568 -12.544) 20.020 ======================= Grid point 80 (34/201) ======================= q-point: (-0.38 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.868 26.854 3.900) 27.149 1.819 ( -2.136 15.719 23.166) 28.077 2.499 ( 4.160 -4.680 -14.575) 15.863 2.994 ( -12.361 11.469 30.318) 34.691 3.315 ( -7.309 2.489 17.213) 18.865 3.489 ( -9.196 6.087 32.348) 34.176 3.539 ( 1.734 -10.001 13.123) 16.590 3.838 ( -7.153 -0.887 1.915) 7.458 4.177 ( -0.095 4.557 2.254) 5.085 4.684 ( -4.734 8.374 -4.881) 10.787 4.931 ( -0.326 1.351 1.284) 1.892 5.297 ( 1.088 -2.189 2.405) 3.429 5.547 ( -4.458 -0.610 7.098) 8.404 6.147 ( -5.845 -8.608 0.850) 10.440 6.702 ( 4.825 4.828 -5.404) 8.706 6.948 ( 0.576 -9.349 0.089) 9.368 7.180 ( 5.025 9.625 0.103) 10.858 7.640 ( 0.115 -5.823 0.208) 5.828 8.753 ( 2.001 3.205 -7.656) 8.537 8.964 ( 2.742 -3.661 -10.099) 11.086 9.626 ( -1.123 -17.496 2.240) 17.675 9.962 ( 4.534 10.594 3.568) 12.063 10.091 ( 6.338 4.375 -10.167) 12.755 10.301 ( -0.725 4.174 -2.700) 5.024 10.620 ( -1.729 -6.423 4.718) 8.155 10.677 ( -1.078 3.180 -3.459) 4.821 11.034 ( -6.526 0.181 2.459) 6.976 11.061 ( 0.714 -0.327 15.206) 15.226 13.180 ( 5.992 -1.494 4.939) 7.908 13.318 ( -4.246 -2.104 -8.063) 9.353 13.461 ( -2.099 -7.627 7.051) 10.597 13.598 ( -2.899 4.875 7.633) 9.509 15.397 ( 5.247 -9.957 -3.099) 11.674 15.876 ( -3.153 1.057 7.981) 8.646 16.093 ( -2.030 1.064 -0.592) 2.367 16.117 ( 2.437 0.468 -9.839) 10.147 16.396 ( 0.025 -0.538 2.679) 2.733 16.659 ( 0.472 -1.596 0.097) 1.667 19.956 ( 3.260 0.509 -2.682) 4.253 20.869 ( 0.743 2.632 -2.171) 3.492 22.580 ( 3.137 -1.376 -2.083) 4.009 22.648 ( -0.068 1.135 -5.229) 5.351 26.294 ( -7.725 0.117 21.994) 23.312 26.370 ( -8.748 -5.968 34.158) 35.762 29.946 ( 5.851 1.072 8.331) 10.237 30.377 ( -7.868 3.268 5.345) 10.057 31.038 ( -0.564 -5.264 -3.969) 6.617 31.429 ( 10.868 4.558 -1.991) 11.952 32.247 ( -17.437 -5.041 -13.395) 22.559 33.564 ( 10.418 0.118 -2.902) 10.815 35.591 ( 0.897 -6.393 3.525) 7.355 35.855 ( 4.384 0.272 0.651) 4.440 36.228 ( -10.840 -7.247 -5.925) 14.322 38.502 ( 12.901 9.951 -15.793) 22.691 ======================= Grid point 81 (35/201) ======================= q-point: (-0.25 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 7.237 32.478 5.675) 33.755 1.573 ( -0.161 28.458 9.939) 30.144 2.365 ( -15.872 16.275 13.076) 26.225 2.857 ( 2.575 5.970 15.276) 16.602 3.298 ( -10.588 -0.546 27.731) 29.688 3.438 ( -11.538 1.353 32.836) 34.830 3.696 ( -6.622 -5.295 2.393) 8.810 3.806 ( 0.146 -5.431 4.816) 7.261 4.115 ( 2.078 7.558 0.250) 7.842 4.588 ( -0.584 -2.967 -4.600) 5.505 4.912 ( 1.258 1.800 2.084) 3.028 5.307 ( -0.749 0.965 -1.741) 2.127 5.507 ( -7.450 -0.747 6.356) 9.822 6.217 ( -3.217 -6.325 3.160) 7.768 6.624 ( 3.267 8.783 -3.560) 10.025 7.046 ( 3.488 1.406 1.785) 4.163 7.117 ( -1.117 1.272 0.332) 1.726 7.790 ( 1.833 -11.974 -2.388) 12.346 8.694 ( 1.743 3.135 -8.680) 9.392 9.015 ( 3.693 -3.260 -9.382) 10.597 9.803 ( 1.198 -0.285 -1.526) 1.961 9.947 ( 2.252 -5.598 2.800) 6.651 10.088 ( 6.648 2.058 -9.486) 11.765 10.224 ( 0.325 3.984 -3.269) 5.163 10.584 ( -2.066 3.319 -7.679) 8.617 10.699 ( -4.995 -5.519 9.171) 11.811 10.973 ( -3.185 0.332 2.251) 3.915 11.143 ( 0.063 -0.998 15.468) 15.501 13.159 ( -4.456 1.582 -5.343) 7.135 13.379 ( 4.172 -2.851 3.133) 5.945 13.555 ( -3.246 -3.931 19.148) 19.815 13.615 ( -1.460 -8.788 2.057) 9.142 15.610 ( 10.503 -7.918 -2.724) 13.432 15.853 ( -5.185 -0.130 7.016) 8.725 16.049 ( -2.484 0.307 -0.812) 2.631 16.088 ( 1.952 1.607 -9.060) 9.406 16.405 ( -1.276 0.194 3.792) 4.005 16.693 ( 1.568 -1.707 -0.718) 2.426 19.972 ( 0.011 -0.501 -2.216) 2.272 20.824 ( 0.254 3.062 -2.044) 3.691 22.591 ( -1.097 -0.197 -7.768) 7.848 22.641 ( 3.925 0.809 -0.357) 4.023 26.279 ( -7.072 0.613 19.378) 20.637 26.579 ( -13.447 -18.510 53.234) 57.942 30.038 ( 3.397 0.776 9.558) 10.174 30.254 ( -6.243 3.018 4.656) 8.353 31.083 ( 0.691 -3.810 -5.061) 6.373 31.547 ( 15.306 1.787 -0.958) 15.440 32.029 ( -14.745 -1.709 -11.723) 18.914 33.656 ( 5.171 -0.716 -4.953) 7.196 35.693 ( -1.670 -6.488 1.982) 6.987 35.910 ( 7.671 5.132 0.718) 9.257 36.192 ( -8.545 -10.383 -4.273) 14.110 38.412 ( 12.506 14.921 -25.150) 31.805 ======================= Grid point 82 (36/201) ======================= q-point: (-0.12 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 4.964 24.448 15.366) 29.299 1.161 ( 19.134 35.835 2.063) 40.675 1.929 ( -13.217 28.037 39.909) 50.532 2.961 ( 2.556 -3.644 13.313) 14.038 3.241 ( -15.782 3.129 34.074) 37.682 3.423 ( -10.351 0.125 25.247) 27.287 3.626 ( -8.746 -3.012 -3.592) 9.923 3.934 ( -1.810 -3.150 3.167) 4.820 4.027 ( 6.277 7.503 0.369) 9.789 4.680 ( 3.853 -7.763 -3.247) 9.255 4.951 ( -0.082 -3.131 5.934) 6.709 5.261 ( -1.060 1.052 -3.954) 4.227 5.434 ( -7.094 0.766 3.583) 7.985 6.200 ( -2.815 5.677 0.669) 6.372 6.560 ( 1.376 4.979 2.961) 5.954 7.012 ( 0.219 3.431 0.490) 3.472 7.182 ( 10.077 -3.683 1.217) 10.797 7.953 ( -0.967 -11.208 -4.770) 12.219 8.646 ( 3.488 2.564 -9.846) 10.756 9.058 ( 2.626 -1.950 -8.338) 8.956 9.671 ( -1.771 12.526 -8.737) 15.375 10.097 ( 2.941 -5.150 -3.462) 6.867 10.148 ( 4.958 -2.302 -1.036) 5.563 10.180 ( 2.322 -0.114 -3.990) 4.618 10.478 ( -2.795 1.668 -8.182) 8.806 10.722 ( -5.791 -2.343 10.709) 12.398 10.968 ( -0.705 -1.060 2.186) 2.530 11.215 ( -0.503 -0.540 14.160) 14.179 13.036 ( -4.940 2.279 -10.103) 11.474 13.488 ( 2.093 -3.605 9.773) 10.625 13.716 ( -4.984 -12.543 12.151) 18.161 13.762 ( -5.294 -15.494 17.759) 24.155 15.751 ( -13.930 2.476 -1.112) 14.192 15.845 ( 11.115 -6.474 -6.405) 14.369 16.023 ( -3.211 -1.213 2.423) 4.201 16.075 ( 2.114 -1.129 -0.863) 2.547 16.390 ( -2.306 0.823 3.699) 4.436 16.717 ( -3.039 -0.626 -0.888) 3.227 19.940 ( -2.377 0.566 -2.450) 3.460 20.784 ( 1.086 2.384 -1.772) 3.162 22.539 ( -0.918 0.701 -7.776) 7.861 22.670 ( 3.579 1.332 -3.266) 5.025 26.263 ( -6.623 0.428 17.806) 19.003 27.025 ( -34.175 -46.665 77.570) 96.761 30.014 ( -10.950 1.284 4.297) 11.833 30.238 ( 3.246 1.357 9.714) 10.331 31.118 ( 1.331 -2.049 -6.375) 6.828 31.479 ( -20.523 7.111 -14.127) 25.910 32.139 ( 33.823 -8.709 7.730) 35.772 33.658 ( -2.235 -0.535 -7.831) 8.161 35.749 ( -2.783 -4.874 0.228) 5.618 35.871 ( -1.681 4.289 -1.033) 4.721 36.291 ( 3.830 -7.116 -1.151) 8.162 38.138 ( 15.098 29.788 -41.160) 53.004 ======================= Grid point 85 (37/201) ======================= q-point: ( 0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 13.974 -0.000 10.224) 17.315 2.045 ( -0.973 0.000 30.940) 30.956 2.840 ( 2.344 -0.000 3.303) 4.050 2.868 ( -1.206 0.000 41.631) 41.648 2.973 ( -9.301 0.000 30.489) 31.876 3.567 ( 3.867 -0.000 -1.071) 4.012 3.686 ( -6.598 0.000 31.973) 32.647 3.897 ( 9.858 -0.000 5.259) 11.174 4.283 ( -0.517 0.000 3.344) 3.384 4.676 ( -0.580 0.000 -0.150) 0.599 5.043 ( 0.064 -0.000 5.834) 5.835 5.177 ( 1.660 -0.000 -8.280) 8.445 5.340 ( 4.766 -0.000 3.690) 6.027 6.225 ( 4.316 -0.000 5.581) 7.055 6.467 ( -9.738 0.000 -0.700) 9.763 6.952 ( -2.611 0.000 -5.056) 5.691 7.269 ( -7.449 0.000 -5.174) 9.070 8.172 ( 1.165 -0.000 -16.320) 16.361 8.732 ( 6.543 -0.000 -7.748) 10.141 8.804 ( -7.002 0.000 -1.351) 7.131 9.202 ( -1.148 0.000 -5.177) 5.303 10.199 ( 3.043 -0.000 0.177) 3.048 10.215 ( 5.437 -0.000 -14.065) 15.079 10.473 ( 3.639 -0.000 -3.044) 4.745 10.496 ( 2.092 -0.000 2.935) 3.604 10.824 ( -4.180 0.000 -4.737) 6.318 10.986 ( 1.871 -0.000 13.992) 14.116 11.191 ( -5.598 0.000 3.064) 6.382 12.783 ( 4.750 -0.000 -2.514) 5.374 13.447 ( -26.441 0.000 41.376) 49.103 13.570 ( -4.766 0.000 -3.565) 5.952 13.874 ( 0.261 -0.000 0.051) 0.266 14.640 ( 0.485 -0.000 -0.571) 0.749 15.955 ( -2.544 0.000 6.266) 6.763 16.079 ( 5.077 -0.000 -12.415) 13.413 16.179 ( -0.953 0.000 1.565) 1.832 16.331 ( 1.301 -0.000 -1.231) 1.791 16.530 ( -0.218 0.000 6.146) 6.150 20.073 ( 3.849 -0.000 -10.706) 11.377 20.875 ( 3.899 -0.000 -1.193) 4.078 22.469 ( 2.542 -0.000 -3.115) 4.020 22.688 ( 2.664 -0.000 -8.185) 8.608 26.219 ( -6.058 0.000 17.091) 18.133 26.473 ( -20.070 0.000 36.581) 41.724 29.725 ( 5.490 -0.000 5.140) 7.521 30.525 ( -1.467 0.000 10.914) 11.013 30.807 ( -1.576 0.000 2.686) 3.115 31.410 ( 7.141 -0.000 -4.218) 8.294 32.680 ( -20.078 0.000 -13.924) 24.434 33.412 ( 8.283 -0.000 -3.929) 9.167 35.441 ( -6.502 0.000 1.441) 6.659 35.651 ( -6.036 0.000 0.916) 6.105 36.281 ( 0.320 -0.000 -5.965) 5.973 38.556 ( 18.456 -0.000 -13.747) 23.014 ======================= Grid point 86 (38/201) ======================= q-point: ( 0.38 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 8.758 -7.193 10.277) 15.299 2.139 ( -1.906 1.360 26.546) 26.649 2.738 ( 4.116 16.274 10.854) 19.990 2.966 ( -12.144 -4.406 46.395) 48.160 3.127 ( -4.559 -7.231 15.723) 17.897 3.574 ( 0.085 2.216 -0.594) 2.295 3.701 ( -7.496 1.361 21.135) 22.467 4.067 ( 11.556 4.213 9.867) 15.768 4.251 ( -0.507 2.929 1.797) 3.474 4.705 ( -2.154 -5.359 2.632) 6.347 5.070 ( 2.484 2.071 -1.893) 3.748 5.177 ( 2.980 -0.926 -0.182) 3.126 5.450 ( 3.859 -3.134 4.399) 6.638 6.254 ( -14.342 3.943 0.198) 14.875 6.344 ( 3.524 -5.572 0.251) 6.598 6.902 ( -2.314 -0.867 -4.639) 5.256 7.198 ( 1.297 1.670 -1.814) 2.786 8.036 ( -2.165 9.144 -10.088) 13.787 8.761 ( -5.606 -5.945 -1.125) 8.249 8.790 ( 6.408 -1.026 -8.432) 10.640 9.179 ( -1.735 -2.282 -3.105) 4.226 10.175 ( 4.997 4.097 -10.188) 12.065 10.287 ( 3.299 -4.111 -5.850) 7.874 10.434 ( 2.918 6.902 -3.799) 8.401 10.540 ( 0.981 0.596 3.949) 4.112 10.755 ( -3.023 0.366 -3.642) 4.747 11.027 ( -4.111 1.171 14.036) 14.673 11.151 ( -0.741 1.064 3.536) 3.766 12.880 ( 7.400 -3.127 0.202) 8.036 13.305 ( -15.344 1.771 29.529) 33.325 13.478 ( -6.715 0.439 -4.385) 8.032 13.853 ( -0.153 3.353 0.815) 3.454 14.751 ( -0.736 -13.941 -0.403) 13.967 15.946 ( -2.025 1.058 6.274) 6.677 16.089 ( 3.755 -0.782 -11.372) 12.002 16.164 ( -1.334 0.616 0.523) 1.560 16.350 ( 1.922 -0.466 -1.697) 2.606 16.561 ( -0.454 -1.538 4.587) 4.859 20.051 ( 3.284 2.890 -8.745) 9.778 20.917 ( 3.772 0.586 -1.231) 4.011 22.496 ( 2.535 -0.764 -2.186) 3.433 22.686 ( 2.131 0.033 -7.398) 7.699 26.221 ( -5.984 -0.611 18.474) 19.428 26.391 ( -13.709 1.125 30.232) 33.214 29.838 ( 6.892 -0.718 6.194) 9.294 30.524 ( -4.755 0.805 9.213) 10.399 30.824 ( -1.513 -3.597 1.603) 4.219 31.468 ( 6.415 1.272 -5.015) 8.242 32.385 ( -17.859 -1.201 -12.704) 21.949 33.490 ( 8.725 1.261 -4.127) 9.734 35.388 ( -3.771 -1.600 2.512) 4.806 35.627 ( -6.125 -6.510 0.513) 8.953 36.250 ( -0.678 0.689 -6.335) 6.408 38.688 ( 14.735 3.760 -11.537) 19.088 ======================= Grid point 87 (39/201) ======================= q-point: (-0.50 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 1.736 -6.543 16.876) 18.183 2.211 ( 7.135 4.621 9.967) 13.099 2.568 ( -3.733 15.238 16.824) 23.004 3.079 ( -12.655 -2.305 38.893) 40.965 3.220 ( 1.926 -6.612 10.739) 12.757 3.493 ( -7.046 3.028 2.973) 8.225 3.649 ( -7.797 4.227 20.192) 22.054 4.063 ( 4.254 14.351 6.032) 16.138 4.222 ( -2.237 0.469 0.386) 2.318 4.805 ( -2.539 -8.906 5.562) 10.803 5.014 ( 3.236 9.531 -2.911) 10.478 5.245 ( 2.430 -1.459 1.942) 3.436 5.520 ( -1.615 -1.545 3.646) 4.276 6.033 ( -10.661 1.507 3.021) 11.183 6.521 ( 5.556 -10.505 -3.145) 12.293 6.878 ( -0.944 -0.938 -2.895) 3.186 7.244 ( 6.197 -1.753 -0.835) 6.494 7.809 ( -3.272 12.699 -3.996) 13.709 8.779 ( -3.136 -4.574 -4.744) 7.299 8.851 ( 5.743 -2.017 -9.072) 10.924 9.223 ( -1.645 -8.466 1.886) 8.829 10.139 ( 5.365 4.338 -9.234) 11.527 10.279 ( -0.782 4.304 -9.308) 10.285 10.403 ( 3.281 0.688 -2.076) 3.943 10.527 ( -0.185 3.148 4.041) 5.125 10.718 ( -0.748 -0.066 -2.596) 2.703 10.989 ( -7.588 -0.363 10.492) 12.954 11.164 ( 2.696 3.722 10.010) 11.014 13.047 ( 8.192 -5.295 1.837) 9.926 13.263 ( -8.073 -2.725 14.483) 16.804 13.360 ( -6.707 1.160 -1.827) 7.047 13.786 ( -0.813 5.990 2.403) 6.505 14.971 ( -0.124 -17.804 -0.556) 17.813 15.925 ( -2.301 1.911 6.441) 7.102 16.101 ( 3.106 -1.173 -10.391) 10.909 16.132 ( -1.489 1.329 -0.563) 2.074 16.374 ( 1.083 -0.781 -0.305) 1.370 16.596 ( -0.484 -2.136 1.961) 2.940 20.018 ( 3.347 2.957 -6.561) 7.937 20.936 ( 2.624 1.935 -1.566) 3.617 22.532 ( 1.805 -1.582 -2.756) 3.655 22.679 ( 1.977 0.789 -5.250) 5.665 26.243 ( -6.379 -1.728 21.569) 22.559 26.344 ( -10.300 0.943 26.085) 28.061 29.961 ( 6.738 0.043 7.245) 9.894 30.457 ( -7.605 2.133 6.653) 10.326 30.876 ( -1.042 -5.439 -0.083) 5.538 31.506 ( 6.469 1.414 -5.160) 8.395 32.157 ( -13.185 -1.701 -10.700) 17.066 33.568 ( 7.789 0.208 -4.564) 9.030 35.415 ( -1.735 -5.203 2.654) 6.093 35.673 ( -4.891 -9.884 0.096) 11.029 36.191 ( -0.901 2.551 -5.353) 5.998 38.736 ( 11.753 6.424 -11.279) 17.511 ======================= Grid point 88 (40/201) ======================= q-point: (-0.38 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.273 7.796 18.758) 20.315 2.166 ( 3.905 16.657 12.534) 21.209 2.467 ( 1.145 2.899 -0.874) 3.237 3.051 ( -11.791 1.477 30.460) 32.696 3.356 ( -7.979 5.036 13.495) 16.466 3.424 ( -1.509 -9.736 4.235) 10.724 3.572 ( -8.620 3.291 26.798) 28.342 3.895 ( -1.344 13.269 6.498) 14.836 4.186 ( -2.223 -0.378 -0.506) 2.311 4.809 ( -0.395 12.210 -2.669) 12.504 4.922 ( -0.650 0.034 6.553) 6.585 5.304 ( 2.538 -1.240 0.659) 2.901 5.483 ( -6.942 -0.848 0.410) 7.006 6.002 ( -3.048 -5.262 8.074) 10.108 6.709 ( 4.500 -7.222 -7.569) 11.389 6.884 ( 0.172 -2.253 0.668) 2.356 7.372 ( 9.300 -0.665 -1.157) 9.396 7.592 ( -5.110 7.664 0.780) 9.244 8.753 ( -1.187 -0.197 -8.131) 8.220 8.916 ( 4.938 -2.917 -9.187) 10.830 9.393 ( -0.928 -15.080 4.656) 15.810 10.106 ( 1.707 5.068 -4.941) 7.281 10.156 ( 1.270 3.948 -10.418) 11.213 10.378 ( 1.382 5.182 -2.880) 6.087 10.540 ( -0.139 -3.076 1.910) 3.624 10.683 ( -1.444 2.615 -1.662) 3.419 10.954 ( -5.573 -1.221 8.290) 10.063 11.194 ( 2.250 3.798 14.193) 14.863 13.192 ( -5.791 -1.417 -8.250) 10.179 13.248 ( 7.277 -3.970 3.826) 9.130 13.352 ( -3.678 -6.088 10.795) 12.928 13.690 ( -1.847 7.244 5.204) 9.109 15.234 ( 2.376 -17.679 -0.860) 17.859 15.891 ( -2.901 2.092 6.660) 7.559 16.085 ( -0.692 1.600 -4.399) 4.732 16.108 ( 2.037 -0.083 -7.204) 7.487 16.395 ( -0.147 -0.809 1.682) 1.872 16.626 ( -0.434 -2.470 -0.123) 2.511 19.998 ( 2.545 1.998 -5.013) 5.967 20.916 ( 1.125 3.164 -1.963) 3.889 22.554 ( 0.297 -1.790 -5.591) 5.878 22.677 ( 2.636 1.322 -1.580) 3.345 26.283 ( -7.631 -1.594 24.063) 25.294 26.329 ( -8.889 -1.827 26.619) 28.124 30.060 ( 3.728 0.702 8.070) 8.917 30.342 ( -7.262 2.902 4.530) 9.038 30.945 ( 0.025 -5.689 -1.689) 5.935 31.560 ( 6.303 -0.220 -5.332) 8.259 32.006 ( -5.967 -0.314 -7.506) 9.594 33.633 ( 4.490 -0.791 -5.773) 7.356 35.493 ( -1.855 -7.113 1.485) 7.499 35.788 ( -2.191 -13.097 -0.557) 13.290 36.115 ( 0.697 5.163 -2.751) 5.892 38.712 ( 8.631 8.123 -13.408) 17.896 ======================= Grid point 89 (41/201) ======================= q-point: (-0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 1.265 24.387 9.786) 26.308 2.085 ( 7.539 21.978 20.766) 31.163 2.340 ( -9.869 4.642 -2.444) 11.177 3.036 ( -4.294 3.683 24.378) 25.026 3.280 ( -9.822 -0.671 26.574) 28.339 3.405 ( -8.740 -1.991 -1.778) 9.138 3.569 ( -11.019 3.986 25.103) 27.703 3.835 ( 4.432 0.038 8.464) 9.555 4.183 ( -0.661 -1.121 1.129) 1.723 4.627 ( 2.835 10.831 -0.749) 11.221 4.951 ( 0.758 -0.240 3.634) 3.720 5.294 ( -4.369 1.196 -2.416) 5.134 5.434 ( -2.353 -1.236 1.206) 2.919 6.124 ( 0.519 -7.802 8.259) 11.373 6.697 ( -0.335 5.446 -8.930) 10.465 6.997 ( 2.593 -8.881 2.015) 9.469 7.330 ( 2.075 15.589 5.422) 16.635 7.606 ( -1.336 -12.205 -3.274) 12.707 8.705 ( 1.169 1.183 -9.514) 9.658 8.979 ( 4.092 -3.058 -8.995) 10.344 9.632 ( -0.055 -16.294 2.729) 16.521 9.968 ( -5.441 5.401 -3.675) 8.502 10.153 ( 6.146 0.798 -7.788) 9.953 10.305 ( 1.704 5.230 -5.360) 7.680 10.579 ( 0.249 2.371 -6.718) 7.129 10.603 ( -5.882 -1.906 9.854) 11.633 10.953 ( -1.632 -0.626 5.903) 6.156 11.232 ( 0.393 2.222 14.906) 15.076 13.080 ( -4.763 0.756 -8.909) 10.130 13.417 ( 5.271 -3.347 4.875) 7.921 13.472 ( -0.936 -10.042 5.009) 11.261 13.595 ( -3.567 5.091 10.288) 12.020 15.504 ( 2.362 -15.422 -1.204) 15.648 15.848 ( -2.719 2.273 5.415) 6.471 16.033 ( 0.094 1.756 -6.256) 6.498 16.099 ( 1.913 0.889 -5.061) 5.483 16.403 ( -1.317 -0.111 2.904) 3.191 16.656 ( -0.471 -2.817 -0.709) 2.943 19.971 ( -0.050 1.751 -4.329) 4.670 20.868 ( 0.574 3.382 -2.146) 4.047 22.540 ( -0.436 -0.713 -7.591) 7.637 22.695 ( 2.687 0.892 0.133) 2.834 26.279 ( -7.412 0.661 20.508) 21.816 26.413 ( -12.305 -8.689 36.914) 39.869 30.057 ( -7.090 1.617 5.173) 8.924 30.288 ( 1.667 1.961 7.133) 7.583 31.019 ( 1.511 -4.830 -3.147) 5.959 31.558 ( -5.125 0.538 -9.291) 10.625 32.027 ( 13.805 -1.455 0.355) 13.886 33.639 ( -1.286 -0.750 -7.928) 8.067 35.570 ( -2.494 -7.283 -0.026) 7.698 35.924 ( -5.973 -8.862 -4.031) 11.422 36.094 ( 9.709 1.700 2.820) 10.252 38.604 ( 4.655 10.211 -18.268) 21.440 ======================= Grid point 90 (42/201) ======================= q-point: (-0.12 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.014 25.055 8.131) 26.342 1.902 ( 19.955 26.475 2.169) 33.224 2.158 ( -15.988 8.216 33.322) 37.861 3.049 ( -1.481 2.181 20.992) 21.157 3.279 ( -10.035 6.012 31.384) 33.493 3.330 ( -8.305 -5.061 -1.281) 9.809 3.485 ( -8.798 -1.955 20.007) 21.944 3.921 ( 0.784 0.047 4.346) 4.416 4.179 ( 1.067 4.247 4.285) 6.127 4.622 ( 5.031 -2.872 -0.377) 5.805 4.982 ( 1.616 0.953 4.685) 5.047 5.203 ( -5.471 -0.959 -3.905) 6.789 5.426 ( 0.682 2.245 0.235) 2.358 6.250 ( 2.183 -1.056 3.961) 4.644 6.565 ( -3.551 2.767 -2.523) 5.160 7.135 ( -0.701 10.304 4.330) 11.199 7.203 ( 4.839 -8.214 0.294) 9.538 7.737 ( -2.548 -12.186 -5.015) 13.422 8.678 ( 3.865 1.214 -9.913) 10.709 9.024 ( 2.734 -2.219 -8.659) 9.348 9.707 ( -5.812 6.737 -6.544) 11.045 9.936 ( -1.039 -13.819 3.497) 14.293 10.192 ( 3.208 -1.103 -7.728) 8.440 10.233 ( 2.683 4.201 -6.604) 8.274 10.474 ( -1.884 5.060 1.314) 5.557 10.658 ( -2.514 -5.056 9.098) 10.708 10.967 ( 0.026 0.293 2.693) 2.709 11.263 ( -1.792 0.685 12.837) 12.979 12.973 ( -2.915 2.161 -9.514) 10.182 13.492 ( -3.648 -0.063 13.862) 14.334 13.570 ( -3.010 -5.776 6.509) 9.208 13.644 ( 0.986 -8.087 4.826) 9.469 15.587 ( -11.163 -0.333 -1.834) 11.317 15.871 ( 4.146 -3.890 2.134) 6.072 15.996 ( 2.041 0.892 -7.365) 7.695 16.103 ( 2.378 0.347 -0.765) 2.522 16.388 ( -2.040 0.836 2.738) 3.515 16.669 ( -2.336 -0.535 0.374) 2.426 19.918 ( -0.998 0.869 -4.396) 4.591 20.830 ( 1.579 2.527 -2.032) 3.606 22.507 ( 0.000 0.316 -7.466) 7.473 22.711 ( 2.033 0.949 -1.628) 2.772 26.261 ( -6.908 0.691 18.754) 19.998 26.548 ( -20.732 -14.339 46.221) 52.648 29.924 ( -9.960 2.865 2.647) 10.697 30.346 ( 3.527 1.130 9.797) 10.474 31.084 ( 2.231 -2.416 -4.915) 5.913 31.355 ( -9.141 6.592 -7.777) 13.692 32.390 ( 25.268 -10.248 4.000) 27.559 33.545 ( -8.205 0.064 -10.495) 13.322 35.623 ( -4.091 -5.820 -1.537) 7.278 35.868 ( -3.596 1.669 -0.693) 4.025 36.300 ( 10.211 -5.613 0.920) 11.688 38.390 ( 3.277 13.261 -23.749) 27.397 ======================= Grid point 94 (43/201) ======================= q-point: ( 0.38 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 5.031 -0.000 12.804) 13.757 2.232 ( -3.897 0.000 32.661) 32.892 2.939 ( -9.700 0.000 25.260) 27.059 3.005 ( -12.793 0.000 36.245) 38.437 3.061 ( 10.029 -0.000 2.949) 10.453 3.571 ( -2.965 0.000 -1.397) 3.278 3.697 ( -9.269 0.000 23.530) 25.290 4.250 ( -1.975 0.000 -3.519) 4.036 4.293 ( 9.273 -0.000 10.629) 14.105 4.648 ( -2.693 0.000 2.583) 3.732 5.158 ( 7.502 -0.000 0.178) 7.504 5.185 ( 2.857 -0.000 -1.161) 3.084 5.484 ( 1.245 -0.000 1.119) 1.674 6.111 ( -12.683 0.000 3.789) 13.237 6.344 ( 2.611 -0.000 1.036) 2.809 6.843 ( -1.837 0.000 -6.234) 6.499 7.225 ( 2.625 -0.000 -2.113) 3.370 8.040 ( -1.979 0.000 -6.083) 6.397 8.630 ( -4.980 0.000 -2.100) 5.404 8.838 ( 5.773 -0.000 -4.886) 7.563 9.133 ( -1.081 0.000 -3.264) 3.438 10.231 ( 0.312 -0.000 -6.376) 6.384 10.251 ( 7.204 -0.000 -16.261) 17.785 10.516 ( 3.043 -0.000 -6.063) 6.784 10.531 ( -1.040 0.000 -0.622) 1.212 10.737 ( -0.624 0.000 2.763) 2.833 10.988 ( -7.694 0.000 9.035) 11.867 11.219 ( 2.868 -0.000 9.833) 10.243 12.966 ( 8.310 -0.000 1.703) 8.483 13.261 ( -14.159 0.000 32.471) 35.424 13.367 ( -6.699 0.000 -5.989) 8.986 13.878 ( -0.146 0.000 0.641) 0.658 14.648 ( 0.592 -0.000 -0.769) 0.971 15.959 ( -1.598 0.000 6.062) 6.269 16.077 ( 3.294 -0.000 -11.939) 12.385 16.153 ( -1.356 0.000 0.098) 1.359 16.362 ( 1.677 -0.000 -2.302) 2.848 16.563 ( -0.559 0.000 3.630) 3.673 20.069 ( 2.542 -0.000 -8.642) 9.009 20.966 ( 3.460 -0.000 -1.279) 3.689 22.507 ( 1.714 -0.000 -2.941) 3.405 22.690 ( 2.669 -0.000 -5.927) 6.500 26.220 ( -5.833 0.000 18.979) 19.856 26.361 ( -11.417 0.000 27.593) 29.862 29.958 ( 7.655 -0.000 6.818) 10.251 30.487 ( -7.457 0.000 7.103) 10.299 30.789 ( -1.335 0.000 2.293) 2.653 31.524 ( 4.975 -0.000 -6.142) 7.904 32.136 ( -11.853 0.000 -9.963) 15.484 33.572 ( 6.424 -0.000 -5.405) 8.395 35.337 ( -3.602 0.000 2.182) 4.211 35.509 ( -4.816 0.000 0.207) 4.820 36.238 ( 1.144 -0.000 -4.976) 5.106 38.833 ( 11.034 -0.000 -10.718) 15.382 ======================= Grid point 95 (44/201) ======================= q-point: (-0.50 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 1.104 -5.613 14.544) 15.628 2.332 ( -1.695 -0.814 27.743) 27.807 2.797 ( -8.390 11.430 19.527) 24.132 3.033 ( -12.312 -2.117 35.307) 37.452 3.218 ( 4.059 -3.987 3.026) 6.445 3.469 ( -5.183 4.603 1.697) 7.136 3.669 ( -10.018 1.319 24.045) 26.082 4.187 ( -2.432 2.029 -6.397) 7.138 4.330 ( 2.035 9.773 3.650) 10.629 4.668 ( -3.172 -6.526 4.485) 8.530 5.215 ( 8.020 5.584 3.567) 10.403 5.259 ( 2.012 -0.831 3.553) 4.167 5.463 ( -3.027 -0.516 -6.650) 7.325 5.995 ( -5.462 3.255 10.910) 12.628 6.430 ( 2.471 -7.909 -1.345) 8.394 6.821 ( -0.343 -2.712 -6.142) 6.723 7.263 ( 2.764 -2.255 -2.339) 4.265 7.937 ( -0.108 9.627 -1.296) 9.715 8.620 ( -3.112 -6.485 -4.571) 8.523 8.891 ( 5.433 -0.086 -4.759) 7.223 9.133 ( -0.537 -3.310 -0.061) 3.353 10.185 ( 0.115 0.837 -10.500) 10.534 10.261 ( 5.012 1.938 -15.583) 16.484 10.447 ( -0.349 3.490 -4.863) 5.996 10.553 ( -0.052 -1.019 -2.832) 3.010 10.742 ( 1.337 2.344 4.368) 5.135 10.942 ( -5.649 -0.096 10.061) 11.539 11.283 ( 1.610 1.779 12.290) 12.522 13.080 ( 3.640 -2.917 -0.548) 4.697 13.215 ( -8.010 1.373 18.792) 20.474 13.295 ( -3.619 -1.062 4.945) 6.220 13.854 ( -0.447 3.430 1.349) 3.712 14.747 ( 0.371 -12.702 0.085) 12.708 15.950 ( -1.871 1.685 5.493) 6.042 16.077 ( 3.234 -1.145 -11.990) 12.471 16.131 ( -0.870 0.857 -0.389) 1.282 16.373 ( 0.565 -0.544 -1.093) 1.346 16.573 ( -0.796 -1.028 1.685) 2.128 20.056 ( 2.739 1.456 -7.589) 8.198 20.985 ( 1.828 1.427 -1.767) 2.915 22.513 ( 0.817 -0.832 -4.810) 4.949 22.702 ( 2.775 0.422 -3.277) 4.315 26.234 ( -6.103 -0.879 20.733) 21.631 26.335 ( -9.663 0.471 25.424) 27.203 30.072 ( 4.775 0.169 7.294) 8.720 30.399 ( -8.134 1.005 4.144) 9.184 30.807 ( -0.829 -3.088 1.927) 3.733 31.553 ( 3.763 -0.164 -6.655) 7.646 32.003 ( -3.399 -0.014 -6.489) 7.325 33.616 ( 3.943 -0.349 -6.393) 7.519 35.328 ( -2.779 -3.767 0.863) 4.760 35.499 ( -3.200 -5.654 -0.451) 6.512 36.231 ( 2.826 2.347 -2.134) 4.249 38.880 ( 7.190 3.330 -10.855) 13.440 ======================= Grid point 96 (45/201) ======================= q-point: (-0.38 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -3.287 -6.668 16.451) 18.053 2.380 ( -0.347 6.721 3.612) 7.638 2.641 ( -4.606 10.852 30.421) 32.626 3.019 ( -12.399 -0.480 26.873) 29.599 3.204 ( -12.345 -2.643 2.532) 12.877 3.475 ( 4.523 0.741 9.184) 10.264 3.603 ( -10.286 2.718 24.764) 26.952 4.052 ( -3.397 8.415 -3.212) 9.627 4.201 ( -0.749 6.991 -0.119) 7.032 4.762 ( -2.158 -8.120 2.716) 8.829 5.136 ( 0.215 12.924 5.312) 13.975 5.322 ( -1.535 0.522 1.989) 2.566 5.395 ( 1.554 0.988 -3.328) 3.803 5.990 ( 0.074 -0.402 11.343) 11.350 6.603 ( 3.129 -11.512 -2.014) 12.099 6.837 ( -0.371 -2.573 -5.397) 5.991 7.335 ( 0.154 -6.053 -2.363) 6.499 7.782 ( 3.122 14.718 2.164) 15.201 8.653 ( -1.041 -5.437 -9.188) 10.727 8.934 ( 5.055 0.127 -6.072) 7.902 9.230 ( -0.166 -9.713 4.848) 10.857 10.101 ( -2.570 2.995 -10.475) 11.193 10.214 ( 4.374 3.797 -10.710) 12.176 10.385 ( -0.623 0.508 -9.844) 9.876 10.540 ( -0.993 0.435 0.357) 1.141 10.731 ( 0.900 4.449 3.356) 5.645 10.935 ( -2.606 -0.214 11.020) 11.326 11.315 ( -0.209 2.750 13.772) 14.046 13.066 ( -5.420 -1.535 -6.254) 8.418 13.250 ( -2.733 -4.159 15.403) 16.187 13.347 ( 4.418 -1.385 5.643) 7.299 13.784 ( -1.084 6.140 2.686) 6.788 14.990 ( 0.918 -19.071 1.503) 19.152 15.915 ( -2.155 2.434 4.557) 5.598 16.073 ( 2.178 0.139 -11.474) 11.680 16.113 ( 0.729 0.624 -1.254) 1.579 16.384 ( -0.365 -0.988 0.933) 1.407 16.586 ( -1.012 -1.875 0.247) 2.145 20.033 ( 2.306 2.320 -6.492) 7.269 20.958 ( 0.062 2.644 -2.292) 3.499 22.510 ( 0.332 -1.091 -6.450) 6.550 22.719 ( 2.423 0.639 -1.155) 2.760 26.265 ( -7.079 -1.814 23.776) 24.874 26.316 ( -8.569 0.383 23.835) 25.331 30.096 ( -5.646 1.018 5.723) 8.104 30.333 ( -0.589 1.033 4.075) 4.245 30.867 ( 0.216 -5.114 0.764) 5.176 31.558 ( 0.349 -0.195 -7.725) 7.735 32.008 ( 7.925 -0.217 -2.000) 8.176 33.621 ( 0.046 -0.503 -7.802) 7.818 35.371 ( -2.249 -6.314 -0.505) 6.721 35.585 ( -0.375 -10.421 -1.363) 10.516 36.227 ( 4.369 4.372 1.130) 6.284 38.830 ( 2.993 5.997 -12.335) 14.039 ======================= Grid point 97 (46/201) ======================= q-point: (-0.25 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -6.273 7.008 13.608) 16.542 2.187 ( -11.152 5.932 6.864) 14.376 2.570 ( 4.860 15.597 8.939) 18.622 3.024 ( -9.421 -5.997 23.355) 25.888 3.137 ( -14.118 -6.484 19.482) 24.919 3.398 ( -4.329 9.462 8.224) 13.263 3.626 ( -5.864 2.495 22.269) 23.162 3.940 ( 1.183 3.104 6.561) 7.354 4.137 ( -1.521 -0.811 -2.191) 2.788 4.822 ( 1.379 1.718 0.748) 2.326 5.003 ( 0.761 6.758 5.365) 8.662 5.206 ( -6.703 2.869 -1.912) 7.538 5.454 ( 4.389 0.419 2.141) 4.901 6.083 ( 1.870 -4.669 7.542) 9.065 6.741 ( 3.984 2.495 -6.844) 8.303 6.863 ( -2.514 -10.972 1.039) 11.304 7.383 ( -6.932 -6.327 -0.384) 9.393 7.634 ( 5.590 14.806 1.970) 15.948 8.669 ( 1.944 -2.743 -11.649) 12.125 8.970 ( 4.256 -0.735 -7.039) 8.258 9.429 ( 0.224 -14.618 5.945) 15.782 9.961 ( -3.609 6.008 -6.161) 9.332 10.180 ( 1.550 0.804 -9.427) 9.587 10.329 ( 1.405 1.686 -11.060) 11.275 10.534 ( -2.745 -2.120 3.608) 5.004 10.661 ( -0.516 7.031 3.745) 7.983 10.970 ( 0.112 -0.275 8.593) 8.598 11.317 ( -2.374 2.857 13.563) 14.063 12.996 ( -3.078 -0.557 -6.587) 7.292 13.354 ( -2.825 -7.395 11.138) 13.664 13.459 ( 5.027 -2.533 2.632) 6.214 13.682 ( -2.101 7.344 4.793) 9.018 15.281 ( 0.369 -18.053 1.997) 18.166 15.872 ( -1.701 2.179 3.762) 4.669 16.039 ( 2.582 1.473 -11.238) 11.624 16.117 ( 1.571 0.339 -1.592) 2.262 16.394 ( -1.160 -0.493 2.328) 2.647 16.608 ( -0.728 -2.795 0.195) 2.895 19.985 ( 0.242 3.415 -5.587) 6.553 20.905 ( -0.234 2.654 -2.531) 3.675 22.499 ( 0.508 -0.721 -6.985) 7.041 22.733 ( 1.654 0.654 -0.630) 1.887 26.285 ( -7.632 0.636 23.319) 24.544 26.327 ( -9.383 -3.466 27.016) 28.808 29.982 ( -10.047 1.438 2.991) 10.581 30.371 ( 2.836 0.570 6.914) 7.494 30.958 ( 1.860 -5.738 -0.815) 6.087 31.480 ( -4.311 2.672 -8.594) 9.979 32.211 ( 19.024 -3.619 2.012) 19.469 33.552 ( -5.406 0.442 -9.873) 11.265 35.434 ( -1.961 -6.855 -1.316) 7.250 35.747 ( 1.598 -10.368 -1.803) 10.645 36.247 ( 6.653 2.846 3.228) 7.923 38.681 ( -1.373 8.316 -14.985) 17.193 ======================= Grid point 98 (47/201) ======================= q-point: (-0.12 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -5.027 17.858 7.314) 19.941 2.048 ( -16.429 -0.986 16.286) 23.154 2.442 ( 8.031 15.692 2.624) 17.822 3.090 ( -8.915 -3.527 26.732) 28.399 3.165 ( -5.308 -3.518 11.913) 13.508 3.327 ( -4.640 -1.057 18.747) 19.342 3.514 ( -8.644 8.262 19.720) 23.062 3.972 ( 0.227 2.084 5.368) 5.763 4.173 ( -1.693 -5.451 4.531) 7.288 4.784 ( 7.198 8.925 2.161) 11.668 5.010 ( -0.218 -2.673 0.772) 2.791 5.103 ( -4.373 0.931 1.034) 4.589 5.489 ( 3.140 2.320 0.932) 4.014 6.219 ( 1.994 -7.529 2.390) 8.147 6.629 ( 1.039 10.634 -4.515) 11.600 7.034 ( -1.864 -12.966 0.196) 13.101 7.299 ( -6.810 6.893 4.643) 10.745 7.570 ( 1.094 -1.628 -2.786) 3.407 8.688 ( 4.395 -1.180 -11.236) 12.123 9.001 ( 3.205 -1.178 -7.805) 8.519 9.668 ( 1.280 -10.100 1.052) 10.235 9.794 ( -5.308 3.193 1.244) 6.318 10.142 ( -0.615 -1.000 -11.873) 11.931 10.288 ( 3.016 2.231 -7.162) 8.085 10.543 ( -3.996 2.298 11.593) 12.476 10.614 ( 2.131 -1.251 1.221) 2.756 10.995 ( 0.002 1.208 4.209) 4.379 11.292 ( -4.473 1.918 11.358) 12.357 12.946 ( -0.048 1.354 -5.929) 6.082 13.467 ( -2.141 -7.319 5.445) 9.370 13.527 ( -1.888 2.661 6.221) 7.025 13.608 ( 0.053 -0.725 4.333) 4.394 15.441 ( -4.790 -5.523 -0.569) 7.333 15.867 ( -0.646 -1.412 5.588) 5.800 16.022 ( 5.904 0.685 -12.573) 13.907 16.130 ( 1.418 0.082 0.123) 1.425 16.385 ( -1.661 0.578 2.318) 2.910 16.639 ( -0.740 -1.777 1.210) 2.273 19.909 ( -0.707 2.626 -4.656) 5.392 20.868 ( 0.989 1.655 -2.523) 3.176 22.487 ( 1.254 -0.044 -6.353) 6.476 22.735 ( 0.855 0.755 -1.853) 2.176 26.269 ( -7.123 1.304 21.274) 22.472 26.378 ( -12.435 -5.292 31.597) 34.366 29.856 ( -7.594 1.642 2.802) 8.260 30.429 ( 1.569 0.118 8.545) 8.689 31.060 ( 3.427 -4.150 -2.632) 5.991 31.323 ( -4.865 5.121 -6.885) 9.864 32.578 ( 22.406 -7.584 2.954) 23.838 33.382 ( -11.149 1.892 -11.994) 16.485 35.493 ( -2.042 -5.391 -1.420) 5.937 35.838 ( -0.418 -1.848 -0.073) 1.896 36.369 ( 8.541 -3.075 1.532) 9.206 38.459 ( -1.810 8.585 -17.125) 19.242 ======================= Grid point 103 (48/201) ======================= q-point: (-0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -2.382 0.000 15.575) 15.757 2.393 ( -6.920 0.000 25.872) 26.782 2.798 ( -13.797 0.000 31.237) 34.148 3.062 ( -7.884 0.000 32.226) 33.176 3.195 ( -4.582 0.000 -5.572) 7.214 3.478 ( 0.534 -0.000 1.941) 2.013 3.649 ( -10.627 0.000 25.273) 27.416 4.149 ( -0.582 0.000 -9.798) 9.815 4.361 ( -7.926 0.000 1.863) 8.142 4.629 ( 1.046 -0.000 1.871) 2.144 5.252 ( -9.563 0.000 -2.479) 9.879 5.306 ( 3.742 -0.000 7.349) 8.247 5.507 ( 10.847 -0.000 -0.936) 10.887 6.041 ( -0.482 0.000 13.513) 13.522 6.370 ( -0.695 0.000 -1.449) 1.607 6.773 ( 1.597 -0.000 -7.801) 7.963 7.257 ( 0.911 -0.000 -2.003) 2.201 8.033 ( 3.502 -0.000 0.483) 3.535 8.520 ( -1.571 0.000 -4.339) 4.615 8.939 ( 4.758 -0.000 -3.341) 5.814 9.109 ( 0.634 -0.000 -0.187) 0.661 10.131 ( -0.271 0.000 -12.534) 12.537 10.295 ( 6.348 -0.000 -15.391) 16.648 10.405 ( -4.664 0.000 -8.881) 10.031 10.535 ( 1.016 -0.000 -3.670) 3.808 10.815 ( 2.700 -0.000 6.472) 7.013 10.926 ( -3.458 0.000 10.004) 10.585 11.355 ( -0.526 0.000 12.656) 12.667 13.034 ( -4.270 0.000 -4.397) 6.129 13.236 ( -9.578 0.000 32.309) 33.699 13.314 ( 6.384 -0.000 1.062) 6.471 13.878 ( -0.331 0.000 0.850) 0.912 14.656 ( 0.350 -0.000 -0.275) 0.446 15.962 ( -2.200 0.000 5.681) 6.092 16.056 ( 3.745 -0.000 -14.100) 14.589 16.129 ( -0.073 0.000 -0.521) 0.526 16.366 ( -0.119 0.000 -0.786) 0.795 16.559 ( -1.396 0.000 1.194) 1.837 20.072 ( 3.312 -0.000 -7.484) 8.184 20.998 ( -0.063 0.000 -2.269) 2.270 22.493 ( 0.645 -0.000 -6.106) 6.140 22.728 ( 2.437 -0.000 -2.148) 3.249 26.239 ( -6.054 0.000 20.947) 21.805 26.327 ( -8.929 0.000 25.209) 26.743 30.111 ( -5.125 0.000 5.878) 7.798 30.345 ( -1.701 0.000 2.378) 2.923 30.787 ( -0.585 0.000 3.062) 3.117 31.555 ( 1.664 -0.000 -7.371) 7.557 32.006 ( 6.665 -0.000 -2.542) 7.133 33.613 ( 0.752 -0.000 -7.645) 7.682 35.266 ( -1.972 0.000 -0.845) 2.145 35.435 ( -0.449 0.000 -0.754) 0.878 36.292 ( 4.119 -0.000 0.968) 4.231 38.920 ( 2.861 -0.000 -11.216) 11.575 ======================= Grid point 104 (49/201) ======================= q-point: (-0.38 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -6.777 -4.140 15.240) 17.185 2.358 ( -12.225 -2.994 8.397) 15.131 2.816 ( -7.086 3.525 42.468) 43.199 2.996 ( -14.531 5.408 17.625) 23.474 3.061 ( -8.996 1.289 6.239) 11.023 3.547 ( 3.526 -3.510 5.995) 7.790 3.603 ( -10.567 2.380 22.458) 24.933 4.083 ( 0.620 3.440 -9.158) 9.803 4.223 ( -9.766 2.409 0.021) 10.059 4.678 ( 1.914 -2.776 2.995) 4.510 5.091 ( -11.184 -0.300 -6.651) 13.015 5.378 ( 1.968 1.307 8.096) 8.434 5.572 ( 6.152 7.948 5.768) 11.588 6.080 ( 3.916 3.949 9.103) 10.667 6.445 ( -1.044 -12.218 0.760) 12.286 6.790 ( 3.260 -1.697 -7.878) 8.694 7.267 ( -1.020 -1.518 -0.265) 1.847 8.026 ( 6.342 9.583 0.184) 11.493 8.531 ( 0.489 -5.163 -7.997) 9.531 8.980 ( 4.293 0.450 -3.946) 5.848 9.155 ( 1.163 -4.308 3.034) 5.396 10.072 ( 0.328 1.529 -11.488) 11.594 10.246 ( -1.775 2.943 -10.911) 11.439 10.340 ( 3.080 0.065 -12.671) 13.040 10.522 ( -0.943 0.122 -2.804) 2.961 10.835 ( 1.168 4.884 6.047) 7.860 10.951 ( -0.940 -1.502 9.870) 10.027 11.380 ( -2.544 1.114 12.575) 12.878 12.967 ( -3.899 -0.863 -3.433) 5.266 13.255 ( -6.741 0.473 29.037) 29.812 13.416 ( 5.909 -1.068 1.735) 6.250 13.851 ( -0.551 3.572 1.001) 3.750 14.764 ( 0.308 -13.975 1.354) 14.044 15.939 ( -2.071 2.033 4.056) 4.987 16.049 ( 3.447 -0.677 -14.510) 14.929 16.127 ( 0.726 0.464 -0.288) 0.908 16.368 ( -0.463 -0.914 0.496) 1.139 16.549 ( -1.879 -1.083 1.084) 2.424 20.073 ( 3.526 2.072 -6.936) 8.051 20.966 ( -1.579 1.341 -2.616) 3.337 22.479 ( 0.926 -0.477 -6.624) 6.706 22.745 ( 1.643 0.154 -1.825) 2.460 26.257 ( -6.425 -0.863 22.241) 23.167 26.321 ( -8.232 0.626 25.465) 26.769 30.006 ( -11.353 0.340 2.541) 11.638 30.373 ( 2.215 -0.247 3.960) 4.544 30.818 ( 0.024 -3.123 2.893) 4.257 31.525 ( -0.962 0.696 -8.223) 8.308 32.152 ( 15.836 -0.863 0.958) 15.888 33.565 ( -2.733 0.364 -9.010) 9.422 35.276 ( 0.012 -3.571 -1.292) 3.798 35.483 ( 2.567 -5.737 -1.188) 6.396 36.338 ( 3.985 2.194 3.064) 5.484 38.856 ( -1.245 3.549 -12.594) 13.144 ======================= Grid point 105 (50/201) ======================= q-point: (-0.25 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -13.610 -5.826 13.584) 20.093 2.188 ( -16.708 7.883 1.969) 18.579 2.720 ( -5.744 2.180 -2.394) 6.594 2.924 ( -9.559 0.674 21.948) 23.948 3.043 ( -9.451 -3.693 42.644) 43.834 3.494 ( -9.424 6.575 18.482) 21.763 3.664 ( -0.409 -2.389 10.626) 10.899 4.012 ( 0.730 4.055 -0.352) 4.135 4.093 ( -5.210 0.336 -1.955) 5.575 4.768 ( 0.682 -5.487 2.255) 5.972 4.944 ( -8.933 -2.240 -7.583) 11.930 5.348 ( 0.266 9.895 9.327) 13.600 5.558 ( 3.119 4.385 5.517) 7.707 6.128 ( 5.697 1.628 3.606) 6.937 6.632 ( -3.686 -14.470 3.269) 15.285 6.819 ( 5.888 0.885 -6.459) 8.785 7.253 ( -4.342 -0.714 1.346) 4.601 7.925 ( 5.462 15.536 -1.644) 16.550 8.589 ( 3.113 -5.500 -11.823) 13.406 9.001 ( 4.001 1.006 -5.592) 6.949 9.289 ( 1.014 -9.853 6.140) 11.654 9.996 ( 0.889 4.862 -7.344) 8.853 10.139 ( -2.636 0.978 -10.457) 10.828 10.332 ( 3.627 1.044 -10.278) 10.949 10.493 ( -1.732 -0.409 -0.647) 1.894 10.775 ( -0.932 6.859 6.548) 9.528 11.004 ( 0.088 -0.672 7.777) 7.807 11.364 ( -4.441 2.290 11.715) 12.736 12.940 ( -0.783 -1.099 -1.599) 2.092 13.304 ( -4.382 -2.253 21.660) 22.213 13.495 ( 3.618 -1.032 -0.381) 3.782 13.775 ( -1.039 6.429 1.667) 6.723 15.035 ( 0.954 -19.725 3.863) 20.123 15.897 ( -1.478 2.323 2.799) 3.926 16.036 ( 3.667 -0.044 -14.190) 14.656 16.133 ( 0.950 0.225 -0.007) 0.977 16.380 ( -0.816 -0.912 1.911) 2.269 16.558 ( -1.389 -2.777 1.468) 3.435 20.033 ( 2.041 4.956 -6.030) 8.068 20.911 ( -1.505 1.419 -2.746) 3.438 22.475 ( 1.581 -0.598 -6.334) 6.556 22.749 ( 0.718 0.227 -2.142) 2.271 26.286 ( -7.358 -1.689 23.856) 25.022 26.314 ( -7.569 1.587 26.254) 27.369 29.874 ( -9.595 -0.184 1.825) 9.769 30.420 ( 0.655 -0.717 5.386) 5.473 30.899 ( 1.468 -5.762 1.613) 6.161 31.436 ( -3.399 2.662 -8.739) 9.748 32.435 ( 21.876 -2.995 3.096) 22.296 33.445 ( -7.044 2.256 -10.872) 13.150 35.341 ( 1.393 -4.528 -0.927) 4.827 35.647 ( 5.271 -9.721 -1.016) 11.105 36.365 ( 3.829 2.241 3.592) 5.709 38.684 ( -4.834 6.715 -14.763) 16.924 ======================= Grid point 106 (51/201) ======================= q-point: (-0.12 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -16.632 8.968 3.794) 19.273 1.835 ( -18.316 -7.993 14.928) 24.944 2.608 ( 2.371 6.598 -16.273) 17.719 2.967 ( -10.492 -10.983 22.422) 27.082 3.183 ( -6.272 -2.430 45.001) 45.500 3.374 ( -6.728 5.485 18.774) 20.684 3.620 ( -5.488 8.943 11.488) 15.559 4.005 ( -1.958 0.461 6.020) 6.347 4.080 ( -0.867 -5.422 -0.426) 5.507 4.856 ( -0.594 -5.312 0.906) 5.422 4.876 ( -4.405 -4.973 -7.591) 10.088 5.244 ( 1.652 10.955 10.630) 15.354 5.561 ( 1.091 2.120 3.285) 4.059 6.205 ( 6.121 -0.124 -0.052) 6.122 6.698 ( -6.025 -4.187 -1.684) 7.528 6.909 ( 6.755 -2.267 -0.778) 7.168 7.194 ( -7.155 -1.542 1.851) 7.550 7.728 ( 1.819 15.963 -1.727) 16.159 8.659 ( 4.895 -4.166 -12.022) 13.633 9.010 ( 3.313 0.719 -6.996) 7.774 9.511 ( 2.219 -14.777 6.883) 16.452 9.875 ( -0.273 10.772 -2.768) 11.125 10.069 ( -0.717 -0.771 -11.455) 11.504 10.311 ( 1.497 0.958 -5.859) 6.123 10.518 ( 0.637 -3.851 3.025) 4.938 10.695 ( -1.018 6.192 6.828) 9.273 11.024 ( -1.036 0.866 4.454) 4.654 11.301 ( -6.400 3.036 9.525) 11.870 12.958 ( 2.568 -0.065 -0.339) 2.591 13.384 ( -2.701 -4.588 13.134) 14.172 13.532 ( 0.026 -1.210 -1.384) 1.839 13.667 ( -1.629 7.144 2.810) 7.848 15.296 ( 0.277 -11.608 2.274) 11.832 15.871 ( -1.262 0.745 4.270) 4.514 16.043 ( 5.877 -1.019 -13.239) 14.521 16.141 ( 0.255 -0.025 0.272) 0.374 16.382 ( -1.134 0.160 2.443) 2.698 16.604 ( -0.213 -3.470 2.002) 4.011 19.946 ( 0.628 5.593 -4.375) 7.129 20.876 ( -0.199 0.326 -2.837) 2.862 22.484 ( 2.508 -0.393 -5.161) 5.751 22.737 ( -0.102 0.416 -3.113) 3.143 26.301 ( -7.459 1.417 24.187) 25.351 26.319 ( -8.317 -1.034 27.714) 28.953 29.796 ( -4.929 -0.625 3.157) 5.887 30.454 ( -1.486 -1.263 6.658) 6.937 31.027 ( 3.869 -6.520 -0.133) 7.583 31.302 ( -3.774 3.980 -7.838) 9.566 32.784 ( 20.531 -3.998 2.156) 21.028 33.231 ( -10.366 4.183 -12.099) 16.473 35.425 ( 2.503 -3.904 -0.076) 4.638 35.807 ( 2.181 -4.153 0.117) 4.692 36.431 ( 4.953 -1.684 1.702) 5.501 38.454 ( -4.000 6.135 -16.349) 17.914 ======================= Grid point 112 (52/201) ======================= q-point: (-0.38 -0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -9.795 0.000 17.168) 19.766 2.127 ( -21.076 0.000 7.504) 22.372 2.858 ( -11.814 0.000 -7.931) 14.229 2.970 ( -6.165 0.000 55.154) 55.497 3.009 ( -16.807 0.000 19.232) 25.541 3.557 ( 2.506 -0.000 -0.087) 2.508 3.574 ( -12.108 0.000 22.810) 25.824 4.080 ( 1.509 -0.000 -9.658) 9.775 4.088 ( -10.460 0.000 2.463) 10.746 4.728 ( 3.928 -0.000 3.232) 5.086 4.906 ( -10.878 0.000 -8.142) 13.588 5.442 ( 0.664 -0.000 8.076) 8.103 5.694 ( -1.755 0.000 10.666) 10.810 6.273 ( -5.681 0.000 -1.369) 5.844 6.285 ( 11.819 -0.000 8.027) 14.287 6.808 ( 5.998 -0.000 -7.762) 9.809 7.257 ( -0.132 0.000 2.055) 2.060 8.187 ( 8.349 -0.000 -4.593) 9.529 8.474 ( 2.276 -0.000 -8.409) 8.711 9.017 ( 3.011 -0.000 -2.193) 3.725 9.161 ( 2.666 -0.000 1.739) 3.183 10.051 ( 1.866 -0.000 -10.413) 10.579 10.163 ( -5.010 0.000 -9.991) 11.176 10.364 ( 7.025 -0.000 -13.459) 15.182 10.496 ( -1.256 0.000 -3.909) 4.106 10.937 ( 2.146 -0.000 4.904) 5.353 10.938 ( -2.875 0.000 9.717) 10.133 11.393 ( -4.199 0.000 10.557) 11.362 12.921 ( -1.008 0.000 -0.024) 1.008 13.327 ( -7.098 0.000 40.982) 41.593 13.476 ( 4.485 -0.000 -1.284) 4.665 13.874 ( -0.297 0.000 0.075) 0.306 14.655 ( -0.473 0.000 0.134) 0.491 15.945 ( -2.409 0.000 4.807) 5.377 16.024 ( 4.199 -0.000 -17.485) 17.982 16.141 ( 0.879 -0.000 0.004) 0.879 16.356 ( -0.417 0.000 0.548) 0.688 16.519 ( -2.638 0.000 2.361) 3.540 20.115 ( 4.824 -0.000 -6.916) 8.432 20.936 ( -2.594 0.000 -2.628) 3.693 22.465 ( 1.715 -0.000 -6.517) 6.739 22.751 ( 0.736 -0.000 -2.940) 3.030 26.263 ( -6.238 0.000 21.133) 22.034 26.342 ( -7.493 0.000 29.969) 30.892 29.866 ( -11.135 0.000 0.780) 11.162 30.404 ( 0.189 -0.000 3.609) 3.614 30.808 ( -0.190 0.000 3.996) 4.000 31.473 ( -2.525 0.000 -9.022) 9.368 32.395 ( 21.459 -0.000 3.037) 21.673 33.482 ( -4.648 0.000 -10.090) 11.109 35.273 ( 3.818 -0.000 -0.577) 3.862 35.477 ( 4.230 -0.000 -1.411) 4.460 36.409 ( 2.272 -0.000 3.824) 4.448 38.788 ( -4.514 0.000 -14.364) 15.057 ======================= Grid point 113 (53/201) ======================= q-point: (-0.25 -0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -18.695 1.425 13.804) 23.283 1.949 ( -23.328 -5.506 5.356) 24.560 2.629 ( -10.836 4.457 1.016) 11.761 2.838 ( -16.007 -2.458 3.064) 16.482 3.131 ( -7.346 -0.908 55.488) 55.980 3.495 ( -13.413 1.426 25.852) 29.159 3.624 ( -0.246 -4.874 1.919) 5.244 4.007 ( -5.492 -0.850 3.142) 6.384 4.050 ( 1.016 1.527 -6.607) 6.857 4.739 ( -6.300 -3.096 -3.562) 7.872 4.808 ( 2.314 2.044 -0.882) 3.211 5.451 ( -1.943 2.403 6.681) 7.362 5.656 ( -4.259 4.469 11.625) 13.163 6.221 ( -1.385 -2.931 0.501) 3.280 6.479 ( 4.696 -3.152 4.292) 7.100 6.862 ( 5.545 -0.657 -5.987) 8.186 7.271 ( 3.243 2.345 2.705) 4.830 8.175 ( 6.473 11.325 -9.785) 16.306 8.513 ( 4.387 -4.587 -11.076) 12.766 9.037 ( 2.630 0.536 -3.550) 4.451 9.235 ( 2.682 -4.213 3.596) 6.154 10.032 ( 2.464 1.168 -8.461) 8.889 10.069 ( -2.484 0.081 -8.369) 8.730 10.372 ( 4.275 3.335 -9.101) 10.593 10.468 ( 0.409 -0.651 -4.991) 5.050 10.877 ( -2.529 5.861 8.404) 10.553 11.007 ( -0.765 -2.264 5.498) 5.995 11.366 ( -5.371 0.901 8.353) 9.972 12.940 ( 2.124 -0.500 3.394) 4.035 13.388 ( -4.886 4.976 39.600) 40.210 13.514 ( 1.695 -0.402 -2.468) 3.021 13.843 ( -0.420 3.775 -0.016) 3.798 14.792 ( 0.762 -17.964 3.663) 18.350 15.921 ( -1.471 1.841 2.913) 3.747 16.011 ( 4.003 -1.086 -16.492) 17.006 16.148 ( 0.437 0.406 0.346) 0.689 16.365 ( -0.414 -1.133 1.382) 1.835 16.509 ( -2.383 -1.969 3.270) 4.500 20.119 ( 4.430 4.536 -6.429) 9.029 20.887 ( -2.405 0.449 -2.542) 3.528 22.469 ( 2.626 -0.429 -5.935) 6.504 22.740 ( -0.100 -0.116 -4.067) 4.070 26.275 ( -6.585 -0.629 20.524) 21.563 26.382 ( -6.289 2.042 36.516) 37.110 29.754 ( -7.690 -1.637 1.088) 7.937 30.412 ( -2.477 -1.305 3.745) 4.676 30.852 ( 0.410 -4.038 3.676) 5.476 31.382 ( -3.613 1.476 -9.370) 10.150 32.711 ( 23.405 -1.233 3.506) 23.699 33.347 ( -6.686 2.972 -11.555) 13.677 35.347 ( 5.833 -0.930 0.408) 5.921 35.595 ( 6.390 -7.565 -1.032) 9.956 36.432 ( 0.589 0.953 3.428) 3.607 38.616 ( -7.089 3.944 -17.518) 19.305 ======================= Grid point 114 (54/201) ======================= q-point: (-0.12 -0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -26.392 -5.456 6.971) 27.837 1.637 ( -21.401 0.221 2.927) 21.601 2.609 ( -3.554 -8.166 7.324) 11.530 2.711 ( -13.524 -6.076 0.617) 14.839 3.269 ( -8.947 -1.299 50.103) 50.912 3.421 ( -10.890 2.908 26.888) 29.155 3.663 ( -3.124 -0.311 6.273) 7.014 3.985 ( -3.252 -1.196 3.649) 5.032 4.023 ( 0.221 -0.787 -3.042) 3.150 4.713 ( -2.980 -4.729 -7.949) 9.718 4.820 ( 1.709 0.232 2.237) 2.824 5.392 ( -2.786 4.803 6.893) 8.851 5.601 ( -3.167 2.402 8.498) 9.382 6.307 ( 3.781 -5.085 1.700) 6.561 6.516 ( -4.943 -1.561 1.677) 5.448 6.908 ( 1.109 -3.426 -3.817) 5.247 7.271 ( 6.891 9.582 0.290) 11.806 7.964 ( 0.924 16.998 -9.428) 19.460 8.604 ( 5.614 -5.575 -11.736) 14.154 9.037 ( 2.686 1.391 -6.241) 6.935 9.397 ( 3.730 -10.594 6.173) 12.816 9.997 ( 1.514 1.403 -8.814) 9.052 10.030 ( 2.450 4.206 -4.276) 6.479 10.310 ( -0.836 2.300 -4.778) 5.368 10.503 ( 4.313 -2.601 -3.885) 6.361 10.791 ( -3.448 6.066 10.176) 12.338 11.026 ( -2.063 -0.314 3.949) 4.466 11.294 ( -6.946 2.995 6.726) 10.122 13.009 ( 4.182 -0.372 5.698) 7.078 13.416 ( -3.410 3.408 28.887) 29.287 13.500 ( -0.935 0.410 -5.809) 5.898 13.760 ( -0.878 6.802 0.532) 6.879 15.138 ( 4.710 -18.435 6.943) 20.254 15.891 ( -0.860 1.784 2.723) 3.368 16.028 ( 5.067 -2.723 -13.773) 14.926 16.141 ( -0.710 0.456 0.206) 0.868 16.380 ( -0.615 -0.529 2.740) 2.857 16.552 ( -0.421 -4.714 3.126) 5.672 20.043 ( 2.238 8.078 -4.691) 9.606 20.851 ( -1.330 -0.539 -2.670) 3.031 22.495 ( 3.563 -0.743 -4.438) 5.739 22.717 ( -0.729 -0.072 -5.009) 5.062 26.286 ( -7.082 -0.911 20.572) 21.777 26.420 ( -5.877 5.632 41.448) 42.240 29.740 ( -1.662 -3.411 3.736) 5.325 30.412 ( -4.598 -2.506 4.524) 6.921 30.974 ( 3.498 -8.196 2.315) 9.207 31.269 ( -3.202 2.666 -8.605) 9.560 32.962 ( 4.435 3.649 -6.027) 8.325 33.180 ( 5.403 2.220 -5.430) 7.975 35.449 ( 6.872 -1.685 1.290) 7.192 35.779 ( 4.095 -5.644 0.249) 6.977 36.455 ( 1.089 -1.652 1.531) 2.502 38.385 ( -5.448 3.257 -20.491) 21.451 ======================= Grid point 121 (55/201) ======================= q-point: (-0.25 -0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -23.908 0.000 13.218) 27.319 1.574 ( -26.819 0.000 9.490) 28.448 2.383 ( -37.834 0.000 0.409) 37.836 2.664 ( 2.432 -0.000 -4.149) 4.810 3.250 ( -10.209 0.000 53.518) 54.483 3.437 ( -14.667 0.000 32.512) 35.667 3.604 ( 0.740 -0.000 2.686) 2.786 3.965 ( -3.259 0.000 3.016) 4.441 4.039 ( 0.746 -0.000 -7.739) 7.775 4.611 ( -4.229 0.000 -4.791) 6.391 4.904 ( 5.314 -0.000 3.117) 6.161 5.446 ( -3.879 0.000 2.454) 4.590 5.679 ( -6.995 0.000 18.366) 19.653 6.091 ( -7.445 0.000 0.706) 7.478 6.550 ( -0.334 0.000 2.475) 2.497 6.917 ( 6.490 -0.000 -6.074) 8.890 7.410 ( 13.825 -0.000 0.813) 13.849 8.276 ( 4.722 -0.000 -20.412) 20.950 8.495 ( 5.709 -0.000 -11.321) 12.679 9.054 ( 1.523 -0.000 -2.305) 2.763 9.256 ( 3.301 -0.000 1.279) 3.540 9.997 ( -1.538 0.000 -7.546) 7.701 10.048 ( 3.336 -0.000 -6.667) 7.455 10.420 ( -1.356 0.000 -5.503) 5.667 10.453 ( 7.421 -0.000 -9.647) 12.171 10.919 ( -5.836 0.000 11.093) 12.534 10.988 ( -0.535 0.000 3.101) 3.147 11.329 ( -5.520 0.000 4.597) 7.184 13.003 ( 4.460 -0.000 6.476) 7.863 13.494 ( -0.349 0.000 -6.513) 6.522 13.651 ( -0.130 0.000 66.835) 66.835 13.865 ( -0.167 0.000 -0.816) 0.833 14.638 ( -0.845 0.000 0.421) 0.944 15.932 ( -1.465 0.000 4.352) 4.592 15.977 ( 4.319 -0.000 -18.618) 19.112 16.156 ( -0.228 0.000 0.625) 0.665 16.355 ( -0.296 0.000 1.165) 1.202 16.477 ( -2.800 0.000 4.633) 5.414 20.196 ( 5.903 -0.000 -7.117) 9.247 20.847 ( -2.469 0.000 -2.114) 3.250 22.480 ( 3.550 -0.000 -5.703) 6.717 22.712 ( -0.764 0.000 -5.903) 5.953 26.272 ( -6.363 0.000 19.304) 20.326 26.533 ( -2.282 0.000 54.054) 54.103 29.660 ( -4.828 0.000 1.096) 4.950 30.363 ( -5.360 0.000 2.712) 6.007 30.836 ( -0.688 0.000 4.654) 4.704 31.308 ( -3.252 0.000 -9.280) 9.833 32.999 ( 18.443 -0.000 0.324) 18.446 33.257 ( -1.951 0.000 -10.752) 10.927 35.452 ( 8.992 -0.000 1.883) 9.187 35.606 ( 6.243 -0.000 -1.316) 6.380 36.437 ( -2.494 0.000 2.639) 3.631 38.453 ( -9.327 0.000 -23.940) 25.693 ======================= Grid point 122 (56/201) ======================= q-point: (-0.12 -0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -32.907 7.909 4.746) 34.175 1.300 ( -25.901 -5.834 5.058) 27.027 2.076 ( -34.972 -24.911 12.199) 44.637 2.715 ( 6.881 1.366 -1.486) 7.171 3.312 ( -13.635 -1.548 42.858) 45.001 3.423 ( -11.995 -0.045 39.331) 41.119 3.644 ( 0.194 -2.754 5.391) 6.057 3.936 ( -3.753 -0.734 1.393) 4.070 4.014 ( 0.747 0.329 -5.316) 5.378 4.602 ( 1.212 -3.687 -5.697) 6.894 4.932 ( 3.485 6.355 4.306) 8.430 5.388 ( -4.636 0.625 0.109) 4.679 5.636 ( -6.243 3.720 16.800) 18.304 6.124 ( -4.846 -13.968 5.889) 15.915 6.488 ( -7.735 0.613 -0.828) 7.804 6.937 ( 5.071 3.795 -4.838) 7.970 7.534 ( 12.385 10.029 -7.354) 17.551 8.110 ( -1.229 11.353 -19.533) 22.626 8.558 ( 6.185 -4.369 -11.653) 13.898 9.059 ( 2.031 0.568 -4.574) 5.037 9.350 ( 4.364 -6.849 2.196) 8.413 9.969 ( 1.754 -0.783 -7.148) 7.401 10.085 ( 3.773 -1.586 -4.550) 6.120 10.334 ( -1.096 5.488 -6.071) 8.257 10.517 ( 5.799 -1.399 -7.199) 9.349 10.851 ( -6.390 3.802 12.421) 14.476 11.001 ( -2.054 -1.056 3.313) 4.038 11.264 ( -5.961 1.463 3.622) 7.127 13.095 ( 4.454 -0.157 7.730) 8.923 13.444 ( -1.877 0.605 -6.895) 7.172 13.761 ( 1.142 24.300 56.888) 61.871 13.830 ( -0.314 4.023 -0.274) 4.045 14.948 ( 9.266 -28.460 15.188) 33.564 15.918 ( -0.134 1.710 1.210) 2.099 15.985 ( 4.186 -3.299 -13.468) 14.484 16.141 ( -1.354 1.169 0.714) 1.926 16.372 ( -0.232 -1.477 2.760) 3.139 16.493 ( -1.166 -4.231 4.256) 6.113 20.175 ( 3.457 7.998 -6.889) 11.108 20.812 ( -1.864 -0.407 -2.027) 2.783 22.514 ( 4.307 -0.930 -4.542) 6.328 22.675 ( -1.017 -0.521 -7.172) 7.262 26.275 ( -6.456 -0.364 18.915) 19.990 26.747 ( 3.248 13.076 74.969) 76.170 29.687 ( 1.535 -6.727 4.202) 8.078 30.315 ( -6.659 -2.690 2.952) 7.764 30.907 ( 1.895 -8.265 4.283) 9.500 31.227 ( -1.946 1.330 -8.247) 8.578 32.950 ( -9.298 9.483 -16.557) 21.225 33.363 ( 17.425 -0.153 0.500) 17.433 35.556 ( 8.996 1.188 1.962) 9.284 35.755 ( 5.456 -6.653 0.321) 8.610 36.421 ( -2.569 -2.692 1.048) 3.866 38.200 ( -9.436 -1.770 -32.994) 34.363 ======================= Grid point 130 (57/201) ======================= q-point: (-0.12 -0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -38.269 0.000 -12.008) 40.109 0.898 ( -30.458 0.000 10.119) 32.095 1.416 ( -34.993 0.000 34.781) 49.338 2.833 ( 9.610 -0.000 0.562) 9.627 3.268 ( -16.165 0.000 39.138) 42.345 3.447 ( -13.511 0.000 44.601) 46.602 3.609 ( -4.100 0.000 2.500) 4.802 3.882 ( -4.006 0.000 -0.700) 4.067 4.010 ( 1.564 -0.000 -1.852) 2.424 4.622 ( 7.958 -0.000 -2.444) 8.325 5.059 ( 3.851 -0.000 6.084) 7.201 5.324 ( -4.074 0.000 -3.328) 5.260 5.668 ( -9.270 0.000 21.155) 23.096 5.945 ( -5.156 0.000 4.592) 6.904 6.355 ( -10.108 0.000 -0.898) 10.148 7.015 ( 4.583 -0.000 -4.685) 6.553 7.643 ( -4.174 0.000 -33.793) 34.050 8.104 ( 2.579 -0.000 -9.221) 9.575 8.552 ( 6.046 -0.000 -11.957) 13.399 9.066 ( 1.544 -0.000 -3.814) 4.114 9.330 ( 1.970 -0.000 -0.865) 2.152 9.971 ( 3.834 -0.000 -5.186) 6.450 10.090 ( 2.948 -0.000 -3.533) 4.601 10.343 ( 0.220 -0.000 -7.896) 7.899 10.540 ( 3.685 -0.000 -8.315) 9.095 10.830 ( -8.232 0.000 12.208) 14.724 10.990 ( -1.367 0.000 4.190) 4.408 11.219 ( -4.829 0.000 4.419) 6.546 13.150 ( -0.143 0.000 2.213) 2.218 13.418 ( 1.825 -0.000 -4.368) 4.733 13.853 ( -0.009 0.000 -1.220) 1.220 14.627 ( -0.369 0.000 0.601) 0.706 14.794 ( 41.532 -0.000 103.231) 111.272 15.941 ( 4.848 -0.000 -16.545) 17.241 15.946 ( -0.772 0.000 4.866) 4.927 16.151 ( -0.265 0.000 6.292) 6.297 16.361 ( -0.392 0.000 2.372) 2.405 16.452 ( -2.266 0.000 4.363) 4.916 20.246 ( 1.570 -0.000 -12.447) 12.546 20.779 ( -1.644 0.000 -1.664) 2.340 22.542 ( 4.600 -0.000 -4.962) 6.766 22.621 ( -1.104 0.000 -8.855) 8.924 26.269 ( -6.293 0.000 18.034) 19.100 27.711 ( 58.300 -0.000 149.103) 160.095 29.634 ( 0.674 -0.000 2.455) 2.546 30.217 ( -6.386 0.000 3.361) 7.217 30.847 ( -1.618 0.000 4.768) 5.036 31.190 ( -0.218 0.000 -7.099) 7.102 32.831 ( -12.170 0.000 -27.419) 29.999 33.563 ( 13.063 -0.000 -1.275) 13.125 35.711 ( 8.380 -0.000 2.821) 8.842 35.747 ( 4.805 -0.000 -0.537) 4.835 36.336 ( -5.592 0.000 0.094) 5.593 37.743 ( -29.071 0.000 -59.676) 66.381 ======================= Grid point 131 (58/201) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -7.644 0.000 30.515) 31.458 1.275 ( 37.154 -0.000 31.771) 48.885 2.178 ( 1.627 -0.000 33.167) 33.207 3.165 ( 7.521 -0.000 -3.835) 8.443 3.282 ( -12.319 0.000 2.671) 12.606 3.761 ( 0.296 -0.000 -3.260) 3.274 4.119 ( -19.494 0.000 46.187) 50.132 4.220 ( 4.092 -0.000 4.823) 6.325 4.499 ( -13.941 0.000 58.512) 60.150 4.813 ( -1.262 0.000 4.063) 4.255 5.123 ( -1.378 0.000 -5.276) 5.453 5.177 ( -3.071 0.000 -2.239) 3.800 5.613 ( -15.619 0.000 18.478) 24.195 6.097 ( 0.192 -0.000 9.843) 9.845 6.695 ( -4.418 0.000 21.331) 21.784 6.962 ( 2.572 -0.000 -6.537) 7.025 7.215 ( 9.009 -0.000 0.791) 9.044 8.014 ( -3.595 0.000 -8.487) 9.217 8.319 ( 7.179 -0.000 -16.315) 17.824 8.841 ( 7.038 -0.000 -18.002) 19.329 9.253 ( -1.709 0.000 -4.785) 5.081 10.051 ( 3.345 -0.000 -8.726) 9.346 10.052 ( 2.079 -0.000 -3.188) 3.806 10.278 ( 4.023 -0.000 0.030) 4.023 10.308 ( 3.030 -0.000 0.076) 3.031 10.991 ( -1.942 0.000 -4.016) 4.460 11.031 ( -5.826 0.000 18.063) 18.979 11.483 ( -3.048 0.000 13.214) 13.561 12.819 ( -6.386 0.000 -7.625) 9.946 13.553 ( 5.652 -0.000 -4.154) 7.014 13.801 ( 1.769 -0.000 -3.962) 4.338 14.631 ( -0.326 0.000 -0.435) 0.543 15.404 ( -11.595 0.000 -13.410) 17.728 15.574 ( 10.612 -0.000 -24.454) 26.657 16.123 ( -2.539 0.000 10.689) 10.986 16.472 ( -5.023 0.000 6.081) 7.888 16.538 ( 0.527 -0.000 7.942) 7.959 16.901 ( -20.027 0.000 17.049) 26.301 19.905 ( -5.893 0.000 -0.498) 5.914 20.711 ( 1.260 -0.000 -2.013) 2.375 22.268 ( 5.431 -0.000 -17.276) 18.109 22.448 ( 4.200 -0.000 -11.593) 12.330 26.713 ( -11.219 0.000 29.650) 31.702 29.670 ( -1.544 0.000 0.697) 1.694 29.981 (-102.440 0.000 0.038) 102.440 30.422 ( 5.019 -0.000 12.400) 13.378 30.939 ( -2.662 0.000 4.528) 5.252 31.081 ( 2.855 -0.000 -2.085) 3.535 32.602 ( 41.624 -0.000 -7.856) 42.359 33.453 ( -4.498 0.000 -14.357) 15.045 35.827 ( 0.885 -0.000 0.755) 1.163 35.859 ( -5.238 0.000 2.315) 5.727 36.196 ( -0.072 0.000 -2.620) 2.621 36.577 ( 41.569 -0.000 -3.651) 41.729 ======================= Grid point 132 (59/201) ======================= q-point: ( 0.12 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 4.684 -5.695 25.052) 26.115 1.891 ( 30.914 -4.818 23.852) 39.342 2.445 ( 3.688 -6.266 30.936) 31.779 3.093 ( -6.963 -3.536 -8.094) 11.247 3.307 ( 5.389 0.647 6.517) 8.481 3.796 ( 0.078 -6.047 -2.219) 6.442 4.069 ( -19.448 0.485 43.950) 48.063 4.198 ( -0.146 9.656 8.750) 13.032 4.568 ( -14.739 -1.054 56.662) 58.557 4.777 ( -0.479 1.440 2.319) 2.772 5.075 ( -0.937 2.288 -1.620) 2.956 5.114 ( -2.195 -0.989 -6.624) 7.048 5.531 ( -10.496 0.261 22.566) 24.888 6.202 ( 0.186 -5.821 9.099) 10.803 6.723 ( -5.161 0.390 13.869) 14.804 6.961 ( 0.318 -2.448 -2.780) 3.718 7.327 ( 8.937 3.215 -6.066) 11.270 7.870 ( -3.789 5.988 -8.506) 11.071 8.368 ( 7.590 -2.484 -15.531) 17.464 8.839 ( 5.264 1.312 -15.987) 16.882 9.274 ( -2.391 -8.508 -6.012) 10.688 10.003 ( -0.173 1.445 -13.826) 13.902 10.079 ( 3.837 -0.366 -2.771) 4.747 10.291 ( 2.845 4.528 0.456) 5.367 10.406 ( 4.935 -3.258 6.207) 8.573 10.930 ( -2.723 1.289 -5.867) 6.596 11.055 ( -2.932 0.180 18.743) 18.971 11.488 ( -5.083 -0.609 11.589) 12.670 12.734 ( -3.376 -1.511 -6.499) 7.478 13.579 ( 2.971 1.259 -5.637) 6.495 13.788 ( 1.945 2.978 -3.268) 4.831 14.436 ( -7.459 21.684 7.238) 24.046 15.230 ( -17.212 -10.333 -6.810) 21.199 15.610 ( 11.359 -0.085 -23.465) 26.070 16.136 ( -2.617 0.066 10.234) 10.564 16.435 ( -4.959 -0.475 4.542) 6.742 16.476 ( -8.093 9.668 17.138) 21.277 16.720 ( -14.054 -4.232 13.094) 19.669 19.851 ( -1.282 0.611 -2.786) 3.126 20.734 ( 2.539 -0.872 -2.388) 3.593 22.279 ( 5.047 -1.053 -14.157) 15.066 22.477 ( 4.934 -3.028 -13.289) 14.495 26.705 ( -10.935 -1.090 29.702) 31.670 28.477 ( -68.236 36.210 40.369) 87.161 29.780 ( -9.647 -11.395 0.521) 14.939 30.562 ( 4.296 -1.379 14.653) 15.332 30.945 ( -2.178 -2.392 1.389) 3.521 31.126 ( 2.593 -1.674 -3.038) 4.331 32.785 ( 20.354 13.656 -8.697) 26.008 33.287 ( -9.976 0.534 -16.309) 19.126 35.716 ( -7.590 3.886 0.475) 8.540 35.854 ( -1.189 -1.238 1.800) 2.488 36.272 ( 0.274 -6.667 -4.204) 7.886 37.279 ( 40.020 -17.287 -21.118) 48.440 ======================= Grid point 133 (60/201) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 9.937 -12.170 14.787) 21.576 2.330 ( 14.091 2.636 16.421) 21.797 2.503 ( -10.703 -1.276 16.628) 19.816 3.139 ( 10.734 3.527 -7.453) 13.535 3.417 ( 2.127 -5.735 13.505) 14.825 3.869 ( -4.938 0.974 1.514) 5.255 3.946 ( -8.866 -0.649 22.140) 23.858 4.172 ( -6.533 -1.189 31.358) 32.054 4.621 ( -13.355 -1.208 42.098) 44.182 4.809 ( 1.866 -0.129 11.844) 11.991 5.000 ( -1.101 3.830 -8.948) 9.795 5.143 ( 1.324 -5.960 1.166) 6.216 5.537 ( -5.065 -0.731 25.391) 25.902 6.305 ( -0.192 -3.936 6.019) 7.194 6.620 ( -6.292 7.680 3.440) 10.508 7.051 ( -3.822 -11.123 3.818) 12.366 7.256 ( -2.819 6.486 -4.807) 8.551 7.726 ( 2.247 8.542 -7.356) 11.494 8.436 ( 8.187 -1.549 -15.072) 17.222 8.806 ( 3.597 1.776 -14.808) 15.342 9.354 ( -3.094 -11.031 -5.016) 12.507 9.921 ( 0.358 1.394 -14.036) 14.110 10.118 ( 5.303 3.224 -2.359) 6.639 10.241 ( 1.773 5.533 0.532) 5.835 10.545 ( 2.745 -4.856 7.274) 9.167 10.836 ( -3.357 2.870 -6.463) 7.828 11.101 ( -1.478 0.689 18.326) 18.398 11.468 ( -7.393 -1.279 10.599) 12.986 12.731 ( 1.344 -3.637 -5.025) 6.347 13.546 ( -0.004 2.216 -6.683) 7.041 13.744 ( 1.234 4.665 -1.122) 4.955 14.038 ( -12.547 18.655 15.918) 27.547 15.187 ( -9.415 -10.736 -7.978) 16.357 15.673 ( 11.762 -1.188 -21.537) 24.568 16.134 ( -3.770 1.065 11.172) 11.839 16.325 ( -7.578 4.764 15.781) 18.143 16.417 ( -3.944 -1.429 4.906) 6.455 16.711 ( -4.757 -2.612 8.101) 9.751 19.820 ( 0.649 1.262 -3.914) 4.163 20.772 ( 2.821 -0.986 -2.813) 4.104 22.302 ( 5.597 -0.420 -11.886) 13.144 22.529 ( 3.858 -3.782 -13.372) 14.422 26.722 ( -10.395 -2.723 31.260) 33.055 27.597 ( -40.072 20.267 47.207) 65.155 29.821 ( -3.978 -5.876 2.457) 7.509 30.673 ( 1.420 0.269 14.914) 14.984 30.962 ( -1.044 -2.754 -0.416) 2.975 31.159 ( 3.336 0.159 -4.812) 5.857 32.803 ( 12.472 8.479 -8.529) 17.326 33.075 ( -8.390 1.098 -15.708) 17.842 35.584 ( -5.855 2.273 0.613) 6.311 35.859 ( -1.411 -0.745 1.766) 2.380 36.337 ( -0.178 -5.324 -4.474) 6.956 37.761 ( 22.916 -8.639 -23.582) 33.999 ======================= Grid point 134 (61/201) ======================= q-point: ( 0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 10.008 -13.517 9.568) 19.350 2.202 ( -11.567 9.120 9.770) 17.676 2.495 ( -3.877 10.658 2.542) 11.623 3.229 ( 10.728 -3.764 1.799) 11.510 3.516 ( -0.044 5.031 10.281) 11.446 3.727 ( -6.286 2.744 4.575) 8.245 4.038 ( -5.462 -5.713 19.332) 20.885 4.300 ( -7.095 -6.003 39.075) 40.165 4.605 ( -12.719 2.209 33.693) 36.082 4.865 ( -1.954 6.123 -10.434) 12.255 4.919 ( 2.219 -2.777 11.633) 12.164 5.279 ( 0.923 -6.470 5.537) 8.566 5.625 ( -1.217 -2.062 24.222) 24.340 6.294 ( -4.380 5.036 -0.649) 6.705 6.512 ( -0.894 -2.430 2.400) 3.530 7.043 ( -7.677 1.601 -1.323) 7.953 7.224 ( -4.802 -7.511 5.481) 10.465 7.611 ( 3.576 8.507 -3.956) 10.040 8.482 ( 8.343 1.302 -14.651) 16.910 8.768 ( 3.200 0.346 -15.384) 15.718 9.472 ( -1.978 -12.865 -2.231) 13.206 9.863 ( 2.023 0.922 -12.240) 12.441 10.052 ( 2.673 11.645 0.776) 11.973 10.234 ( 4.349 1.699 -2.818) 5.453 10.668 ( 0.208 -5.819 6.853) 8.993 10.712 ( -3.242 4.652 -5.635) 7.994 11.150 ( -0.988 0.821 17.306) 17.354 11.427 ( -9.437 -1.952 10.448) 14.213 12.825 ( 5.963 -5.197 -3.259) 8.555 13.467 ( -2.591 2.075 -7.354) 8.069 13.684 ( -2.164 3.841 5.524) 7.067 13.786 ( -6.181 8.014 9.803) 14.090 15.199 ( -3.134 -7.356 -9.846) 12.683 15.749 ( 11.079 -0.841 -19.908) 22.799 16.109 ( -4.227 2.152 13.108) 13.940 16.262 ( -5.362 1.584 11.401) 12.698 16.422 ( -2.494 -2.038 5.364) 6.256 16.719 ( -2.809 -0.813 6.515) 7.141 19.807 ( 1.828 0.272 -3.304) 3.786 20.803 ( 2.357 -0.298 -3.094) 3.900 22.333 ( 6.705 0.255 -11.128) 12.995 22.559 ( 2.140 -2.725 -12.428) 12.902 26.792 ( -9.398 -5.478 35.267) 36.907 27.180 ( -24.320 10.362 43.029) 50.500 29.865 ( -0.496 -2.379 4.720) 5.308 30.709 ( -2.562 2.170 12.863) 13.294 30.990 ( -0.517 -3.012 -1.714) 3.504 31.167 ( 4.308 2.254 -5.841) 7.600 32.714 ( -10.714 -1.441 -16.229) 19.500 33.014 ( 13.437 4.446 -7.781) 16.151 35.521 ( -0.919 1.158 1.983) 2.474 35.854 ( -1.599 -0.404 1.361) 2.138 36.380 ( -2.404 -5.670 -4.434) 7.589 37.956 ( 13.990 -0.782 -22.233) 26.280 ======================= Grid point 135 (62/201) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -10.761 13.397 10.554) 20.166 2.127 ( -7.693 9.071 10.160) 15.643 2.205 ( 4.686 -2.465 -10.597) 11.846 3.392 ( -3.661 12.616 8.738) 15.777 3.476 ( 6.275 -9.845 6.255) 13.245 3.676 ( -4.846 -2.517 2.046) 5.831 4.098 ( -4.314 -0.899 15.025) 15.658 4.412 ( -10.481 1.382 41.212) 42.547 4.539 ( -17.234 2.278 42.991) 46.373 4.698 ( -3.275 5.206 -9.386) 11.221 4.967 ( -0.518 4.337 5.005) 6.643 5.356 ( -2.833 -4.403 3.739) 6.434 5.758 ( -1.199 -4.333 21.023) 21.498 6.221 ( 0.352 -1.448 2.276) 2.720 6.577 ( 0.471 -3.738 -3.607) 5.216 6.970 ( -1.639 0.003 4.487) 4.777 7.200 ( -7.227 1.994 3.517) 8.281 7.606 ( 2.980 -2.919 -0.470) 4.198 8.487 ( 8.248 4.124 -14.432) 17.126 8.750 ( 3.229 -1.649 -16.503) 16.897 9.646 ( 0.393 -13.986 -1.344) 14.056 9.844 ( 4.242 1.306 -8.824) 9.877 9.911 ( 1.730 12.151 1.653) 12.384 10.234 ( 3.075 3.405 -5.061) 6.831 10.584 ( -0.989 5.970 -5.377) 8.096 10.778 ( -1.377 -7.132 5.889) 9.352 11.196 ( -1.214 1.310 16.203) 16.301 11.379 ( -9.968 -2.746 11.387) 15.381 12.986 ( 8.877 -5.001 -1.640) 10.320 13.366 ( -4.559 0.925 -8.594) 9.773 13.656 ( -4.827 -2.011 9.706) 11.025 13.712 ( -0.248 1.498 5.793) 5.989 15.229 ( 1.882 -4.510 -10.820) 11.872 15.798 ( 9.651 1.270 -19.172) 21.502 16.085 ( -3.684 2.178 14.376) 15.000 16.227 ( -5.331 -0.001 9.516) 10.908 16.454 ( -1.259 -2.043 6.966) 7.367 16.716 ( -1.988 0.524 5.557) 5.925 19.836 ( 2.839 -1.877 -2.365) 4.144 20.811 ( 1.361 0.775 -2.995) 3.380 22.367 ( 7.640 1.190 -12.024) 14.295 22.555 ( 0.826 -1.261 -11.415) 11.514 26.905 ( -12.875 -0.953 38.621) 40.722 27.047 ( -11.208 -5.078 43.239) 44.955 29.918 ( 2.945 0.408 7.280) 7.864 30.654 ( -6.326 3.902 8.561) 11.338 31.014 ( -0.699 -2.697 -2.786) 3.940 31.165 ( 5.946 3.814 -4.573) 8.415 32.511 ( -15.591 -5.228 -18.289) 24.595 33.148 ( 17.579 2.296 -6.052) 18.732 35.545 ( 4.738 0.770 3.478) 5.928 35.844 ( -1.696 -0.510 1.026) 2.046 36.396 ( -5.349 -6.266 -4.378) 9.329 37.974 ( 9.631 5.790 -23.328) 25.894 ======================= Grid point 136 (63/201) ======================= q-point: (-0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -16.976 23.304 6.966) 29.661 1.759 ( -9.831 18.066 0.091) 20.567 2.480 ( 6.185 -11.883 3.413) 13.824 3.143 ( -7.268 19.523 12.343) 24.214 3.632 ( -2.031 -4.864 -2.279) 5.743 3.729 ( 0.291 -7.912 7.898) 11.183 4.076 ( -1.566 4.343 4.422) 6.393 4.343 ( -9.403 7.042 28.115) 30.470 4.421 ( -19.165 4.806 39.054) 43.767 4.635 ( -8.930 -2.384 17.704) 19.971 4.918 ( -0.136 1.665 7.300) 7.489 5.360 ( -4.182 -0.910 -0.658) 4.330 5.853 ( -7.614 -4.185 19.060) 20.947 6.323 ( 1.158 -5.834 3.608) 6.957 6.582 ( -1.088 0.287 0.537) 1.247 6.964 ( 2.937 7.510 5.094) 9.538 7.151 ( -3.200 -5.474 2.582) 6.847 7.708 ( 2.096 -6.964 -2.846) 7.809 8.458 ( 7.435 5.488 -14.246) 16.981 8.757 ( 4.267 -2.741 -17.638) 18.352 9.749 ( 2.832 12.133 -1.551) 12.555 9.833 ( 5.017 -4.140 -2.906) 7.124 9.896 ( 1.914 -7.465 -3.227) 8.354 10.175 ( 0.606 4.406 -5.959) 7.435 10.479 ( 1.005 5.524 -6.315) 8.450 10.884 ( -1.205 -6.921 4.350) 8.263 11.193 ( -6.030 1.988 13.833) 15.220 11.370 ( -5.316 -2.520 14.237) 15.404 13.152 ( 7.414 -1.812 -1.369) 7.754 13.262 ( -3.534 -1.297 -9.228) 9.966 13.675 ( -2.094 -3.835 1.211) 4.534 13.824 ( -0.773 -11.781 16.755) 20.497 15.288 ( 6.841 -2.918 -11.761) 13.915 15.790 ( 7.661 4.083 -19.051) 20.935 16.083 ( -2.643 1.087 14.908) 15.179 16.212 ( -5.267 -1.925 10.593) 11.986 16.501 ( -0.983 -1.553 9.141) 9.324 16.705 ( -0.752 1.524 5.569) 5.823 19.906 ( 2.753 -3.820 -1.934) 5.091 20.792 ( 0.225 1.517 -2.501) 2.933 22.385 ( 7.787 2.442 -15.094) 17.158 22.525 ( 0.632 0.118 -10.009) 10.030 26.839 ( -13.654 3.256 34.491) 37.238 27.407 ( -2.602 -25.229 56.757) 62.166 30.000 ( 7.145 2.220 10.986) 13.292 30.524 ( -8.159 4.555 4.478) 10.362 31.022 ( -0.699 -1.836 -3.793) 4.272 31.182 ( 8.810 5.022 -1.704) 10.283 32.309 ( -17.232 -6.882 -19.678) 27.046 33.320 ( 15.578 0.214 -6.730) 16.971 35.637 ( 9.063 1.618 3.862) 9.984 35.838 ( -2.023 -1.422 1.280) 2.784 36.381 ( -7.719 -6.292 -4.533) 10.942 37.831 ( 6.473 14.653 -28.103) 32.348 ======================= Grid point 137 (64/201) ======================= q-point: (-0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -10.411 21.444 14.841) 28.080 1.367 ( -14.425 16.727 5.090) 22.667 2.531 ( -9.457 15.505 13.888) 22.863 2.924 ( 5.250 5.526 11.829) 14.072 3.609 ( -6.057 -2.019 -8.620) 10.727 3.868 ( 2.310 -1.978 5.473) 6.261 4.002 ( -1.473 1.979 2.223) 3.321 4.245 ( -10.007 4.454 23.499) 25.926 4.363 ( -15.802 -0.955 52.526) 54.859 4.634 ( -6.250 -2.518 16.509) 17.831 4.992 ( -0.414 -5.712 10.346) 11.825 5.282 ( -4.392 2.033 -2.639) 5.513 5.845 ( -13.671 -3.923 15.448) 20.998 6.327 ( -4.629 4.765 2.734) 7.184 6.604 ( -0.822 -1.576 12.774) 12.897 6.934 ( 5.807 7.149 4.602) 10.296 7.199 ( -4.489 -5.108 -1.214) 6.908 7.838 ( 4.259 -8.771 -6.126) 11.515 8.405 ( 6.050 5.570 -14.180) 16.392 8.784 ( 6.194 -2.426 -18.896) 20.033 9.579 ( 1.902 14.145 -4.878) 15.083 9.908 ( 5.766 -0.624 -2.629) 6.368 10.052 ( 2.442 -9.368 -3.551) 10.312 10.100 ( 1.067 3.658 -3.377) 5.092 10.396 ( 0.876 3.841 -7.593) 8.555 10.970 ( -0.836 -4.971 1.816) 5.358 11.124 ( -9.127 1.525 13.926) 16.721 11.413 ( -2.107 -0.646 15.267) 15.426 13.092 ( -6.283 1.357 -8.732) 10.843 13.349 ( 8.556 -2.773 -2.061) 9.227 13.722 ( -0.101 -4.783 -2.189) 5.261 14.144 ( -1.381 -23.317 16.813) 28.780 15.390 ( 11.052 -3.042 -14.834) 18.747 15.719 ( 5.059 5.734 -19.340) 20.797 16.104 ( -2.504 0.370 12.871) 13.118 16.268 ( -2.840 -6.733 15.331) 16.984 16.535 ( -3.092 -0.642 9.387) 9.904 16.728 ( 3.221 0.532 10.078) 10.594 19.978 ( 0.084 -4.201 -2.097) 4.696 20.757 ( -0.644 1.511 -2.002) 2.589 22.361 ( 6.347 3.578 -18.878) 20.235 22.491 ( 2.172 1.385 -8.983) 9.345 26.778 ( -12.241 2.046 32.098) 34.414 28.214 ( 3.323 -53.136 64.259) 83.449 30.153 ( 11.968 0.814 17.964) 21.601 30.382 ( -6.981 3.053 3.422) 8.352 31.018 ( 0.022 -0.868 -4.727) 4.806 31.250 ( 16.267 6.872 1.189) 17.699 32.070 ( -21.291 -5.493 -21.644) 30.853 33.462 ( 10.421 -0.635 -8.717) 13.601 35.740 ( 9.593 3.343 1.958) 10.346 35.848 ( -2.267 -2.880 2.729) 4.570 36.343 ( -7.539 -5.312 -4.703) 10.352 37.439 ( 1.377 31.550 -34.260) 46.594 ======================= Grid point 138 (65/201) ======================= q-point: (-0.12 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 14.113 7.366 29.496) 33.518 1.016 ( -12.640 12.491 21.033) 27.535 2.207 ( -6.331 18.594 27.629) 33.899 3.052 ( 9.297 0.655 5.528) 10.836 3.460 ( -11.564 0.608 -6.966) 13.514 3.819 ( -0.690 5.419 -2.450) 5.987 4.096 ( 3.157 -5.868 6.498) 9.307 4.177 ( -16.536 1.295 40.241) 43.525 4.426 ( -12.955 -0.817 53.712) 55.259 4.724 ( 1.006 -5.885 10.389) 11.982 5.112 ( -1.016 -6.904 2.808) 7.522 5.199 ( -2.075 1.277 -2.747) 3.671 5.752 ( -18.026 -2.790 14.714) 23.435 6.169 ( -3.261 10.443 6.391) 12.670 6.664 ( -1.774 2.057 21.789) 21.958 6.940 ( 3.622 0.917 -3.195) 4.916 7.174 ( -2.842 -0.297 1.223) 3.108 7.988 ( 2.874 -8.366 -7.895) 11.856 8.342 ( 5.566 4.631 -15.197) 16.834 8.817 ( 7.432 -1.284 -19.280) 20.703 9.375 ( -0.763 10.936 -5.939) 12.468 9.990 ( 6.238 -1.082 -1.723) 6.562 10.057 ( 1.717 1.512 -4.983) 5.483 10.193 ( 3.926 -4.706 -0.405) 6.142 10.328 ( 0.331 2.316 -6.984) 7.366 11.009 ( -1.030 -2.062 -1.690) 2.858 11.055 ( -8.694 0.630 16.375) 18.551 11.455 ( -1.832 0.213 14.722) 14.837 12.950 ( -7.281 0.855 -8.519) 11.239 13.473 ( 7.660 -1.243 -2.679) 8.210 13.775 ( 1.143 -3.176 -3.665) 4.982 14.492 ( -1.894 -19.003 5.883) 19.982 15.500 ( 9.686 -2.286 -19.438) 21.838 15.600 ( 1.712 4.732 -20.449) 21.060 16.114 ( -2.942 0.235 11.266) 11.646 16.430 ( -0.482 -7.683 12.126) 14.363 16.519 ( -4.864 -0.173 6.528) 8.143 16.878 ( 2.335 -5.826 17.066) 18.183 19.983 ( -5.491 -1.965 -1.654) 6.062 20.722 ( -0.479 0.989 -1.878) 2.176 22.301 ( 5.405 3.212 -19.437) 20.429 22.463 ( 3.287 1.797 -10.085) 10.758 26.738 ( -11.553 0.975 30.516) 32.644 29.297 ( -6.506 -56.269 24.648) 61.774 30.323 ( -3.351 -2.086 6.434) 7.548 30.478 ( -5.381 -23.627 21.468) 32.374 31.010 ( 0.642 -0.377 -5.860) 5.907 31.347 ( -5.484 10.550 -12.358) 17.149 31.872 ( 24.779 -1.548 1.650) 24.882 33.515 ( 3.033 -0.488 -11.555) 11.956 35.792 ( 3.802 1.416 0.024) 4.057 35.871 ( -1.959 -1.485 3.110) 3.964 36.321 ( -1.671 -3.508 -4.201) 5.722 36.697 ( 0.923 50.619 -21.695) 55.080 ======================= Grid point 140 (66/201) ======================= q-point: ( 0.12 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 10.151 -0.000 27.401) 29.221 2.224 ( 13.303 -0.000 18.651) 22.909 2.768 ( 21.727 -0.000 33.659) 40.062 2.921 ( -7.229 0.000 -3.158) 7.888 3.409 ( 6.257 -0.000 0.871) 6.318 3.754 ( 1.874 -0.000 -2.039) 2.769 4.017 ( -20.358 0.000 50.312) 54.275 4.322 ( 0.939 -0.000 3.434) 3.560 4.559 ( -18.123 0.000 46.030) 49.469 4.759 ( -4.246 0.000 12.008) 12.736 5.050 ( 0.270 -0.000 -7.919) 7.924 5.068 ( -1.281 0.000 -4.141) 4.335 5.535 ( -6.542 0.000 29.244) 29.967 6.223 ( 2.301 -0.000 9.453) 9.729 6.706 ( -6.999 0.000 14.005) 15.656 6.925 ( -0.547 0.000 -7.633) 7.653 7.377 ( -1.650 0.000 -11.033) 11.156 7.864 ( 3.460 -0.000 -9.617) 10.221 8.391 ( 8.791 -0.000 -15.180) 17.541 8.835 ( 2.495 -0.000 -13.420) 13.650 9.169 ( -1.449 0.000 -4.342) 4.577 9.959 ( 1.073 -0.000 -15.455) 15.492 10.109 ( 3.570 -0.000 -0.642) 3.628 10.352 ( 2.203 -0.000 -3.123) 3.822 10.472 ( 4.116 -0.000 6.856) 7.996 10.871 ( -3.399 0.000 -6.579) 7.406 11.119 ( -0.204 0.000 18.858) 18.859 11.449 ( -7.157 0.000 9.569) 11.950 12.677 ( 0.040 -0.000 -4.172) 4.172 13.581 ( 0.167 -0.000 -7.239) 7.241 13.819 ( 1.939 -0.000 -3.698) 4.176 14.620 ( 0.176 -0.000 -1.709) 1.718 14.773 ( -33.342 0.000 16.851) 37.359 15.647 ( 11.016 -0.000 -24.599) 26.953 16.144 ( -3.223 0.000 10.425) 10.912 16.389 ( -4.167 0.000 3.602) 5.508 16.444 ( -19.016 0.000 19.214) 27.033 16.626 ( -0.115 0.000 9.946) 9.947 19.851 ( 2.605 -0.000 -6.280) 6.799 20.757 ( 3.461 -0.000 -2.311) 4.161 22.291 ( 6.137 -0.000 -11.383) 12.932 22.461 ( 5.089 -0.000 -14.328) 15.205 26.685 ( -10.411 0.000 29.347) 31.139 27.994 ( -62.008 0.000 44.294) 76.204 29.681 ( 2.077 -0.000 3.120) 3.748 30.669 ( 2.606 -0.000 16.222) 16.431 30.915 ( -2.445 0.000 5.161) 5.711 31.162 ( 5.928 -0.000 -5.136) 7.843 32.926 ( -5.557 0.000 -15.795) 16.744 33.141 ( 1.402 -0.000 -13.266) 13.340 35.653 ( -9.025 0.000 1.230) 9.108 35.795 ( -3.849 0.000 1.090) 4.000 36.205 ( 1.047 -0.000 -4.752) 4.866 37.630 ( 38.605 -0.000 -20.813) 43.858 ======================= Grid point 141 (67/201) ======================= q-point: ( 0.25 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 11.848 -2.188 21.873) 24.971 2.443 ( 0.503 -3.690 17.642) 18.031 2.676 ( 3.812 17.433 7.950) 19.536 3.315 ( 14.444 -13.997 14.644) 24.880 3.418 ( 1.385 6.378 -0.469) 6.543 3.811 ( -0.023 -1.859 1.268) 2.250 3.970 ( -13.376 2.783 44.130) 46.196 4.255 ( -2.840 5.886 14.148) 15.585 4.569 ( -13.664 -4.736 32.866) 35.906 4.807 ( -2.862 -4.180 14.180) 15.058 5.004 ( -0.947 2.930 -4.634) 5.564 5.086 ( 2.696 -5.134 -3.402) 6.723 5.604 ( -3.594 -0.011 31.853) 32.055 6.302 ( 1.409 -1.910 6.409) 6.835 6.615 ( -10.703 4.320 6.170) 13.088 6.907 ( -2.302 -4.306 -3.881) 6.237 7.237 ( -6.418 3.458 -5.996) 9.439 7.850 ( 5.830 5.769 -9.902) 12.858 8.457 ( 8.835 -1.975 -15.187) 17.681 8.793 ( 0.503 0.839 -11.636) 11.677 9.181 ( -1.485 -6.166 -3.253) 7.128 9.905 ( 2.974 1.756 -14.712) 15.112 10.176 ( 4.346 -2.593 -1.045) 5.167 10.320 ( 0.825 4.387 -5.312) 6.938 10.554 ( 1.728 -2.032 5.468) 6.084 10.792 ( -3.010 1.632 -5.663) 6.617 11.197 ( 0.937 1.301 18.678) 18.747 11.391 ( -8.796 -0.723 8.966) 12.581 12.707 ( 4.352 -2.424 -2.363) 5.513 13.522 ( -2.621 1.272 -8.369) 8.861 13.806 ( 1.231 2.851 -2.723) 4.130 14.203 ( -18.671 20.886 20.997) 35.010 14.842 ( -8.546 -18.145 1.117) 20.088 15.693 ( 10.486 -1.866 -24.051) 26.303 16.140 ( -4.351 0.365 11.633) 12.426 16.314 ( -9.373 1.450 12.347) 15.570 16.368 ( -3.273 -1.425 3.951) 5.325 16.673 ( -1.663 -1.470 9.336) 9.597 19.849 ( 3.445 1.662 -7.276) 8.220 20.797 ( 3.834 -0.106 -2.239) 4.441 22.329 ( 6.251 -0.250 -9.421) 11.309 22.480 ( 4.729 -2.111 -14.407) 15.309 26.693 ( -9.762 -1.660 30.441) 32.011 27.474 ( -38.639 7.801 45.366) 60.099 29.768 ( 3.597 -3.242 4.790) 6.811 30.743 ( -1.425 0.394 14.747) 14.821 30.917 ( -2.448 -1.491 5.311) 6.035 31.213 ( 6.750 0.881 -7.161) 9.880 32.684 ( -16.717 -0.533 -17.872) 24.478 33.156 ( 10.971 3.944 -9.930) 15.314 35.538 ( -5.997 1.377 2.120) 6.508 35.786 ( -5.058 -4.891 1.075) 7.118 36.210 ( -1.663 -3.491 -6.388) 7.468 37.970 ( 27.849 0.835 -20.357) 34.506 ======================= Grid point 142 (68/201) ======================= q-point: ( 0.38 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 12.058 -7.163 15.217) 20.694 2.321 ( -6.026 15.790 11.382) 20.376 2.664 ( 5.180 10.375 7.451) 13.783 3.323 ( 0.369 3.405 0.445) 3.453 3.618 ( 4.532 -2.383 9.965) 11.204 3.713 ( -9.496 4.967 9.671) 14.435 4.024 ( 0.718 0.301 17.466) 17.484 4.302 ( -7.293 -4.219 37.597) 38.530 4.578 ( -13.646 -1.707 29.757) 32.781 4.867 ( 1.932 2.127 -8.315) 8.797 4.958 ( -2.188 -1.276 15.670) 15.873 5.216 ( 2.736 -6.874 -0.529) 7.418 5.687 ( -3.995 -0.631 25.015) 25.340 6.311 ( -3.630 4.934 0.345) 6.135 6.457 ( -6.206 -1.826 6.017) 8.834 6.920 ( -4.581 -4.395 -1.423) 6.506 7.153 ( -0.967 -0.713 0.321) 1.244 7.762 ( 2.965 9.194 -5.701) 11.217 8.531 ( 8.693 -1.455 -15.127) 17.507 8.734 ( 0.193 0.743 -12.587) 12.611 9.272 ( -1.334 -10.605 -0.821) 10.720 9.871 ( 4.634 1.611 -12.721) 13.635 10.219 ( 0.922 7.495 -5.548) 9.370 10.266 ( 3.835 -2.716 -3.096) 5.628 10.602 ( -2.326 -2.001 2.993) 4.287 10.714 ( -0.936 2.082 -2.691) 3.529 11.261 ( 1.059 2.581 17.683) 17.902 11.326 ( -9.309 -1.043 10.891) 14.366 12.832 ( 7.968 -4.837 -1.435) 9.431 13.413 ( -4.849 1.947 -9.012) 10.417 13.740 ( -3.450 5.810 5.588) 8.769 13.874 ( -8.667 10.597 14.071) 19.631 14.985 ( -2.662 -13.294 -3.955) 14.123 15.757 ( 8.994 -3.089 -22.332) 24.273 16.125 ( -4.747 0.727 12.858) 13.726 16.246 ( -6.171 0.961 8.586) 10.617 16.383 ( -1.611 -2.578 4.511) 5.440 16.700 ( -2.381 -0.914 7.862) 8.265 19.840 ( 3.622 1.568 -6.136) 7.296 20.832 ( 3.488 0.651 -2.303) 4.230 22.373 ( 5.887 -0.506 -9.863) 11.498 22.508 ( 4.067 -1.772 -12.560) 13.320 26.750 ( -9.021 -4.467 33.764) 35.232 27.163 ( -24.638 6.325 42.257) 49.322 29.887 ( 5.068 -2.127 6.844) 8.778 30.738 ( -5.573 1.923 10.830) 12.331 30.936 ( -2.256 -2.324 4.463) 5.515 31.247 ( 6.999 1.975 -8.303) 11.037 32.408 ( -17.019 -2.179 -17.354) 24.404 33.223 ( 13.094 2.716 -8.915) 16.072 35.503 ( -2.220 -2.157 3.681) 4.809 35.799 ( -4.077 -4.634 0.842) 6.230 36.196 ( -4.992 -4.713 -7.342) 10.052 38.147 ( 20.563 5.472 -19.387) 28.786 ======================= Grid point 143 (69/201) ======================= q-point: (-0.50 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 4.794 16.187 9.901) 19.572 2.099 ( 2.958 -6.510 12.094) 14.050 2.420 ( -0.504 25.938 -3.850) 26.227 3.392 ( -0.869 -6.710 7.230) 9.902 3.559 ( -4.457 3.202 2.586) 6.066 3.652 ( -0.451 6.576 7.962) 10.336 4.091 ( -2.717 -1.172 15.948) 16.220 4.414 ( -12.880 -4.214 38.907) 41.199 4.520 ( -16.857 1.326 38.124) 41.706 4.754 ( 1.368 10.008 -7.451) 12.552 5.033 ( -0.950 1.461 10.407) 10.552 5.287 ( -1.194 -2.829 1.638) 3.480 5.733 ( -6.561 -3.949 14.154) 16.093 6.219 ( -3.241 0.601 10.517) 11.021 6.509 ( 1.353 -5.452 -3.645) 6.696 6.934 ( -2.153 -3.924 4.466) 6.323 7.182 ( 1.777 -0.494 -0.210) 1.856 7.656 ( 0.698 5.912 -0.258) 5.959 8.582 ( 8.650 2.038 -13.896) 16.494 8.677 ( 0.189 -1.731 -15.486) 15.584 9.438 ( -0.208 -14.157 0.257) 14.161 9.871 ( 5.616 0.902 -9.875) 11.397 10.095 ( 0.898 8.174 -5.145) 9.700 10.295 ( 2.304 2.454 -5.522) 6.467 10.578 ( -2.712 0.284 -0.712) 2.818 10.710 ( -0.480 -2.395 2.546) 3.528 11.245 ( -8.011 0.389 9.826) 12.683 11.338 ( 0.006 1.599 20.371) 20.434 13.020 ( 9.776 -6.069 -1.370) 11.588 13.275 ( -6.163 1.752 -9.517) 11.473 13.637 ( -6.706 3.022 13.117) 15.038 13.768 ( -0.526 3.990 3.804) 5.538 15.120 ( 2.636 -9.633 -7.715) 12.621 15.806 ( 6.579 -2.324 -20.998) 22.127 16.112 ( -4.468 0.703 14.177) 14.881 16.195 ( -5.514 0.459 7.392) 9.233 16.432 ( -0.764 -3.075 6.041) 6.821 16.708 ( -2.584 -0.553 6.276) 6.809 19.853 ( 3.609 -0.082 -4.503) 5.771 20.843 ( 2.422 1.849 -2.367) 3.859 22.403 ( 4.465 -0.882 -12.864) 13.645 22.527 ( 4.494 0.032 -9.416) 10.433 26.872 ( -10.129 -5.847 38.784) 40.509 27.014 ( -16.007 0.268 40.034) 43.117 30.015 ( 6.532 -0.642 9.477) 11.528 30.640 ( -8.941 3.508 6.098) 11.377 30.959 ( -1.800 -2.418 2.631) 4.001 31.277 ( 8.124 2.091 -7.843) 11.485 32.170 ( -14.954 -3.201 -16.299) 22.350 33.330 ( 12.572 0.483 -8.953) 15.442 35.564 ( -0.057 -5.360 4.832) 7.216 35.821 ( -0.558 -2.594 0.669) 2.736 36.155 ( -8.190 -6.033 -7.476) 12.624 38.188 ( 16.458 10.284 -20.286) 28.074 ======================= Grid point 144 (70/201) ======================= q-point: (-0.38 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 2.446 30.191 11.968) 32.569 1.987 ( -1.773 27.339 -6.607) 28.182 2.413 ( 6.189 -12.292 7.961) 15.899 3.346 ( -4.667 9.650 7.508) 13.087 3.544 ( -6.299 1.285 0.126) 6.430 3.649 ( 2.760 -6.973 7.246) 10.428 4.116 ( -2.284 0.797 8.831) 9.156 4.375 ( -18.862 1.096 38.390) 42.787 4.472 ( -13.277 5.944 39.125) 41.741 4.594 ( -2.782 5.827 4.638) 7.950 4.993 ( -0.675 4.441 7.197) 8.484 5.311 ( -1.157 -0.609 0.166) 1.318 5.734 ( -11.947 -4.577 13.089) 18.303 6.285 ( -1.279 -4.548 13.876) 14.658 6.566 ( 1.892 -1.477 -6.401) 6.836 7.009 ( -1.149 -5.893 5.841) 8.376 7.200 ( 6.734 5.699 1.593) 8.965 7.633 ( -0.964 -2.975 -0.315) 3.143 8.550 ( 3.881 4.635 -12.826) 14.180 8.688 ( 5.148 -4.043 -17.639) 18.815 9.642 ( 0.104 -13.831 -1.834) 13.952 9.903 ( 6.157 0.186 -6.968) 9.300 9.975 ( 1.693 7.855 -4.355) 9.140 10.224 ( 0.132 4.807 -6.437) 8.034 10.526 ( -0.023 3.972 -1.969) 4.433 10.779 ( -1.849 -6.862 4.278) 8.295 11.174 ( -8.072 1.260 11.126) 13.804 11.406 ( 0.161 1.232 19.629) 19.669 13.131 ( -6.524 1.279 -9.957) 11.972 13.225 ( 9.872 -5.682 -1.821) 11.535 13.608 ( -3.901 -2.031 7.018) 8.282 13.771 ( -0.813 -2.640 8.832) 9.254 15.263 ( 7.863 -6.966 -11.404) 15.506 15.800 ( 3.237 -0.056 -20.435) 20.690 16.117 ( -3.385 0.255 15.393) 15.763 16.160 ( -5.463 -1.120 8.519) 10.182 16.491 ( -1.349 -2.595 7.750) 8.284 16.711 ( -1.920 -0.964 5.315) 5.733 19.891 ( 2.442 -1.762 -3.237) 4.421 20.822 ( 1.076 2.777 -2.328) 3.780 22.397 ( 2.641 -0.576 -15.773) 16.003 22.544 ( 5.722 1.794 -7.901) 9.919 26.856 ( -13.811 3.166 35.345) 38.079 27.220 ( -9.823 -20.640 49.574) 54.590 30.155 ( 6.894 -0.302 12.894) 14.624 30.481 ( -9.871 3.741 2.607) 10.873 30.978 ( -0.934 -1.878 0.195) 2.106 31.341 ( 10.453 0.967 -7.008) 12.621 31.971 ( -11.803 -2.068 -14.619) 18.903 33.438 ( 9.259 -0.975 -10.031) 13.686 35.666 ( -2.302 -7.343 4.073) 8.707 35.874 ( 7.159 1.709 1.532) 7.518 36.100 ( -10.852 -8.491 -7.093) 15.498 38.102 ( 13.793 16.406 -23.966) 32.152 ======================= Grid point 145 (71/201) ======================= q-point: (-0.25 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 15.752 33.552 9.894) 38.363 1.552 ( -5.731 23.666 3.549) 24.607 2.609 ( -1.763 -2.387 10.770) 11.171 3.176 ( 1.715 13.803 14.195) 19.873 3.433 ( -9.190 -2.103 -9.221) 13.187 3.821 ( 0.110 -9.424 7.781) 12.221 4.069 ( -0.809 6.883 1.273) 7.046 4.261 ( -15.921 4.363 33.043) 36.937 4.417 ( -7.941 2.880 42.525) 43.356 4.584 ( -5.024 -3.518 14.892) 16.106 4.988 ( -0.742 0.190 9.288) 9.320 5.264 ( -2.342 2.827 -1.739) 4.062 5.679 ( -13.795 -3.138 13.914) 19.843 6.357 ( -2.171 1.126 9.143) 9.465 6.578 ( -0.348 -3.758 1.324) 4.000 7.102 ( 0.295 -4.945 3.551) 6.095 7.180 ( 4.554 11.369 6.749) 13.984 7.707 ( 0.312 -9.665 -6.202) 11.488 8.473 ( 2.739 4.014 -13.591) 14.434 8.746 ( 6.951 -3.440 -17.686) 19.311 9.701 ( -1.381 4.571 -9.366) 10.513 9.947 ( 2.621 -3.182 -2.378) 4.759 9.977 ( 6.384 -3.615 -2.584) 7.778 10.136 ( -0.087 3.013 -7.168) 7.776 10.455 ( 1.170 6.086 -0.019) 6.197 10.873 ( -2.389 -7.323 3.314) 8.385 11.102 ( -6.962 2.246 12.223) 14.245 11.465 ( -1.169 0.914 17.466) 17.529 12.988 ( -6.185 1.532 -9.833) 11.717 13.402 ( 8.287 -3.843 -2.567) 9.489 13.644 ( -0.841 -4.761 1.017) 4.940 13.912 ( -3.398 -13.964 14.384) 20.333 15.415 ( 11.786 -4.679 -16.160) 20.541 15.713 ( -0.953 2.454 -19.722) 19.897 16.126 ( -3.246 0.557 10.897) 11.384 16.197 ( -4.078 -5.688 16.226) 17.671 16.517 ( -3.601 -0.609 7.432) 8.281 16.748 ( -0.828 -3.237 6.928) 7.691 19.920 ( -0.896 -1.955 -2.351) 3.186 20.779 ( 0.329 2.873 -2.280) 3.683 22.359 ( 2.242 0.433 -16.592) 16.749 22.548 ( 5.914 3.208 -9.543) 11.676 26.791 ( -12.401 2.723 32.824) 35.194 27.705 ( -16.167 -38.763 56.341) 70.273 30.253 ( -7.355 0.012 9.411) 11.944 30.373 ( 2.140 1.002 7.899) 8.245 30.990 ( 0.259 -1.119 -2.425) 2.683 31.422 ( 2.441 -0.775 -11.250) 11.538 31.857 ( 6.283 0.077 -6.024) 8.705 33.490 ( 3.215 -1.213 -12.102) 12.580 35.731 ( -4.776 -6.782 1.921) 8.515 35.920 ( 4.597 5.960 0.499) 7.544 36.111 ( -2.516 -10.933 -3.809) 11.847 37.856 ( 12.113 26.684 -29.375) 41.493 ======================= Grid point 146 (72/201) ======================= q-point: (-0.12 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -1.884 21.850 6.981) 23.015 1.517 ( 27.156 15.747 27.240) 41.563 2.514 ( -4.335 14.101 21.174) 25.807 3.193 ( 6.442 1.923 9.255) 11.439 3.277 ( -10.240 -0.091 -10.018) 14.325 3.925 ( 0.100 10.211 -1.096) 10.270 3.995 ( -2.325 -12.126 7.120) 14.253 4.160 ( -16.680 2.756 40.382) 43.778 4.498 ( -10.030 0.162 52.515) 53.464 4.683 ( 1.695 -6.054 6.034) 8.714 5.034 ( -1.000 -3.563 4.473) 5.805 5.184 ( -2.037 2.433 -3.237) 4.533 5.596 ( -13.147 -0.930 16.585) 21.184 6.286 ( -2.553 6.993 6.642) 9.977 6.674 ( -1.796 -6.343 7.696) 10.134 7.055 ( -0.494 11.325 5.584) 12.637 7.198 ( 5.272 -2.347 1.562) 5.979 7.824 ( -1.125 -10.442 -8.687) 13.629 8.401 ( 4.400 3.694 -14.765) 15.844 8.803 ( 6.832 -2.563 -17.308) 18.783 9.496 ( -2.445 12.249 -9.441) 15.657 10.022 ( 4.399 -2.090 -4.270) 6.477 10.049 ( 0.243 -0.614 -10.708) 10.728 10.158 ( 3.539 -6.764 1.624) 7.805 10.400 ( 2.951 5.985 3.545) 7.556 10.937 ( -2.224 -4.659 -0.685) 5.208 11.047 ( -5.587 1.718 14.940) 16.043 11.495 ( -3.007 0.837 14.491) 14.824 12.849 ( -5.304 1.938 -8.619) 10.305 13.519 ( 5.600 -2.259 -3.902) 7.190 13.718 ( 1.258 -5.110 -1.867) 5.584 14.170 ( -6.593 -22.018 13.077) 26.444 15.527 ( 1.464 4.283 -17.860) 18.425 15.549 ( 4.317 -1.110 -20.155) 20.642 16.127 ( -2.927 0.086 10.474) 10.876 16.332 ( -4.105 -9.652 17.708) 20.581 16.487 ( -4.791 0.724 5.780) 7.542 16.807 ( -6.005 -3.763 9.817) 12.108 19.895 ( -4.207 -0.626 -1.501) 4.510 20.741 ( 1.096 2.065 -2.326) 3.298 22.310 ( 3.252 1.328 -16.072) 16.451 22.521 ( 5.257 4.178 -11.889) 13.655 26.741 ( -11.515 1.959 30.949) 33.080 28.282 ( -36.702 -53.232 49.761) 81.589 30.093 ( -17.128 2.241 2.033) 17.393 30.476 ( 3.341 0.513 13.571) 13.986 30.992 ( 0.531 0.146 -4.429) 4.463 31.248 ( -9.058 6.262 -9.037) 14.245 32.218 ( 32.367 -12.535 0.380) 34.712 33.441 ( -4.195 -0.674 -14.570) 15.177 35.751 ( -5.708 -4.404 0.044) 7.209 35.867 ( -0.974 2.267 1.023) 2.671 36.258 ( 5.985 -4.994 -2.255) 8.114 37.440 ( 18.087 37.358 -29.335) 50.826 ======================= Grid point 149 (73/201) ======================= q-point: ( 0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 9.281 -0.000 23.370) 25.145 2.521 ( 1.282 -0.000 17.934) 17.979 2.899 ( 4.890 -0.000 3.064) 5.770 3.343 ( 2.337 -0.000 18.358) 18.506 3.518 ( 3.307 -0.000 -4.155) 5.310 3.803 ( -8.193 0.000 16.765) 18.660 4.098 ( 1.104 -0.000 41.818) 41.832 4.303 ( -3.671 0.000 -1.297) 3.894 4.469 ( -10.772 0.000 25.506) 27.688 4.827 ( -1.191 0.000 22.995) 23.025 5.019 ( -2.519 0.000 -0.138) 2.522 5.047 ( 4.820 -0.000 -4.954) 6.912 5.684 ( -5.601 0.000 29.419) 29.948 6.325 ( 0.445 -0.000 4.200) 4.224 6.522 ( -13.913 0.000 9.074) 16.611 6.822 ( -2.063 0.000 -7.367) 7.651 7.173 ( -2.728 0.000 -4.601) 5.348 7.922 ( 4.731 -0.000 -9.025) 10.190 8.481 ( 7.660 -0.000 -15.641) 17.416 8.752 ( -0.755 0.000 -8.227) 8.262 9.116 ( -0.424 0.000 -2.380) 2.417 9.909 ( 5.209 -0.000 -15.144) 16.015 10.166 ( -0.337 0.000 -4.208) 4.222 10.348 ( 3.533 -0.000 -8.208) 8.936 10.566 ( -0.629 0.000 3.127) 3.190 10.764 ( -0.918 0.000 -2.174) 2.360 11.288 ( -3.518 0.000 9.893) 10.500 11.323 ( -3.878 0.000 17.347) 17.775 12.759 ( 7.361 -0.000 -0.642) 7.389 13.445 ( -4.809 0.000 -9.395) 10.554 13.828 ( 0.841 -0.000 -2.825) 2.948 14.220 ( -25.275 0.000 32.785) 41.396 14.615 ( 0.814 -0.000 -2.184) 2.330 15.699 ( 9.432 -0.000 -25.689) 27.366 16.136 ( -4.501 0.000 12.342) 13.137 16.263 ( -6.564 0.000 8.402) 10.662 16.338 ( -1.582 0.000 2.470) 2.933 16.686 ( -1.875 0.000 9.709) 9.888 19.873 ( 3.756 -0.000 -9.194) 9.932 20.843 ( 4.414 -0.000 -1.743) 4.746 22.361 ( 4.812 -0.000 -9.804) 10.921 22.478 ( 6.321 -0.000 -12.532) 14.036 26.689 ( -9.152 0.000 30.831) 32.160 27.270 ( -29.757 0.000 43.598) 52.785 29.845 ( 7.144 -0.000 6.892) 9.926 30.762 ( -4.977 0.000 11.063) 12.131 30.903 ( -3.196 0.000 9.063) 9.610 31.275 ( 6.963 -0.000 -9.181) 11.523 32.379 ( -17.353 0.000 -17.086) 24.352 33.269 ( 10.071 -0.000 -10.657) 14.663 35.484 ( -5.537 0.000 3.004) 6.299 35.666 ( -6.407 0.000 0.641) 6.439 36.155 ( -0.168 0.000 -6.744) 6.746 38.232 ( 23.515 -0.000 -18.893) 30.165 ======================= Grid point 150 (74/201) ======================= q-point: ( 0.38 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 7.235 -2.378 21.063) 22.398 2.525 ( -0.821 10.482 12.708) 16.494 2.949 ( 9.740 7.363 9.084) 15.219 3.335 ( -5.957 5.503 2.511) 8.490 3.591 ( -2.412 -5.710 4.972) 7.946 3.730 ( -8.702 2.979 22.102) 23.939 4.190 ( 3.258 5.436 -0.804) 6.388 4.304 ( -6.004 -1.638 34.273) 34.833 4.483 ( -10.808 -3.467 25.282) 27.713 4.946 ( -7.625 0.444 12.063) 14.278 4.958 ( 8.003 0.808 11.454) 13.996 5.171 ( 6.069 -6.105 -0.970) 8.663 5.682 ( -10.608 -0.140 16.431) 19.559 6.335 ( -3.471 2.860 4.718) 6.518 6.376 ( -7.604 -0.359 9.091) 11.857 6.802 ( -2.524 -4.576 -3.773) 6.446 7.151 ( 1.902 -0.326 -3.221) 3.755 7.891 ( 2.646 6.853 -4.198) 8.461 8.522 ( 5.450 -3.164 -15.657) 16.877 8.709 ( 1.076 1.415 -8.827) 9.004 9.146 ( -0.185 -5.562 -0.072) 5.565 9.909 ( 6.413 1.456 -13.849) 15.331 10.140 ( -3.389 -3.642 -10.275) 11.416 10.346 ( 4.680 3.636 -4.670) 7.546 10.564 ( -2.614 -1.680 -0.269) 3.119 10.742 ( 0.895 2.446 0.422) 2.638 11.230 ( -8.253 -0.717 9.064) 12.279 11.402 ( 1.553 1.598 19.438) 19.565 12.885 ( 9.201 -2.776 -0.381) 9.618 13.325 ( -5.895 1.234 -9.625) 11.354 13.795 ( -2.277 4.115 3.201) 5.689 13.975 ( -12.819 11.029 23.728) 29.137 14.746 ( -0.835 -14.542 -0.055) 14.566 15.719 ( 7.838 -2.435 -25.355) 26.650 16.130 ( -4.134 0.546 12.623) 13.294 16.216 ( -5.031 0.649 5.809) 7.712 16.352 ( -0.469 -2.043 2.942) 3.613 16.697 ( -2.813 -0.134 8.824) 9.263 19.873 ( 3.598 0.833 -8.817) 9.559 20.885 ( 3.976 0.910 -1.741) 4.435 22.369 ( 3.199 -0.945 -12.977) 13.399 22.523 ( 6.853 -0.199 -8.494) 10.915 26.727 ( -8.769 -2.616 32.985) 34.231 27.102 ( -21.922 2.527 41.327) 46.849 29.986 ( 8.069 -0.912 8.734) 11.926 30.706 ( -8.653 1.048 6.713) 11.002 30.907 ( -3.351 -0.971 9.220) 9.858 31.314 ( 6.615 0.620 -10.359) 12.306 32.116 ( -13.577 -0.849 -15.006) 20.254 33.344 ( 9.616 0.349 -10.913) 14.549 35.445 ( -4.173 -2.136 3.230) 5.693 35.633 ( -6.741 -6.366 0.044) 9.272 36.128 ( 1.067 1.085 -5.723) 5.922 38.393 ( 18.320 3.947 -18.208) 26.129 ======================= Grid point 151 (75/201) ======================= q-point: (-0.50 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 4.568 -6.520 17.284) 19.029 2.370 ( 1.784 16.263 6.690) 17.675 2.839 ( 4.198 27.706 4.223) 28.339 3.298 ( -1.538 -7.620 3.940) 8.715 3.511 ( -9.472 2.472 4.412) 10.738 3.751 ( -2.912 1.128 15.096) 15.416 4.154 ( 1.009 2.338 -3.020) 3.950 4.335 ( -12.545 -0.042 32.187) 34.546 4.490 ( -14.732 -0.474 41.339) 43.888 4.875 ( -1.828 3.473 1.705) 4.279 5.111 ( 4.300 3.010 16.649) 17.456 5.281 ( 2.817 -0.379 2.209) 3.600 5.596 ( -12.443 -4.017 7.810) 15.230 6.250 ( -5.807 2.880 18.557) 19.657 6.429 ( 2.728 -6.550 -6.175) 9.407 6.845 ( -2.486 -6.296 1.071) 6.853 7.202 ( 4.849 -2.607 -3.520) 6.534 7.781 ( 0.681 10.098 1.784) 10.277 8.559 ( 1.270 -4.277 -15.528) 16.156 8.670 ( 5.498 3.018 -11.559) 13.151 9.267 ( 0.536 -10.597 1.560) 10.725 9.922 ( 6.833 1.048 -11.516) 13.431 10.086 ( -3.482 -1.086 -9.614) 10.283 10.315 ( 0.683 2.933 -6.689) 7.336 10.554 ( -1.566 -1.621 -0.416) 2.292 10.728 ( 1.691 2.700 2.391) 3.983 11.183 ( -7.095 -0.373 10.723) 12.863 11.474 ( 1.179 2.449 19.326) 19.516 13.049 ( 6.872 -4.866 -2.320) 8.734 13.194 ( -3.246 1.955 -8.216) 9.047 13.683 ( -7.279 7.069 16.622) 19.474 13.838 ( -1.720 5.385 5.075) 7.597 14.957 ( 1.886 -14.620 -1.697) 14.838 15.741 ( 5.253 -3.124 -23.932) 24.700 16.124 ( -4.024 0.620 12.988) 13.611 16.168 ( -4.234 0.784 5.326) 6.849 16.402 ( -0.239 -3.247 4.507) 5.560 16.694 ( -3.270 -0.191 7.385) 8.079 19.875 ( 3.359 0.286 -7.380) 8.114 20.897 ( 2.532 2.252 -2.072) 3.972 22.362 ( 2.340 -1.471 -15.028) 15.280 22.575 ( 6.351 0.487 -6.579) 9.158 26.822 ( -9.335 -6.012 37.062) 38.690 26.989 ( -16.907 2.232 39.081) 42.640 30.140 ( 7.428 -0.698 10.931) 13.234 30.571 ( -11.256 2.302 2.668) 11.795 30.923 ( -2.542 -1.722 6.827) 7.486 31.349 ( 6.737 -0.034 -10.632) 12.587 31.935 ( -7.367 -0.712 -12.157) 14.233 33.413 ( 7.852 -0.713 -11.459) 13.909 35.466 ( -3.966 -5.997 2.450) 7.596 35.664 ( -6.169 -10.137 -1.181) 11.925 36.105 ( 3.509 3.589 -2.755) 5.726 38.437 ( 13.969 7.936 -18.963) 24.854 ======================= Grid point 152 (76/201) ======================= q-point: (-0.38 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.475 18.051 8.601) 20.001 2.336 ( 1.035 -2.101 3.650) 4.337 2.474 ( 6.849 26.615 4.369) 27.827 3.335 ( -6.668 0.850 1.270) 6.841 3.451 ( -4.518 -4.701 3.583) 7.440 3.722 ( -0.343 4.499 9.238) 10.281 4.126 ( -0.763 -0.096 -2.082) 2.219 4.304 ( -15.062 -0.312 37.709) 40.607 4.474 ( -16.761 -0.000 47.306) 50.188 4.789 ( 1.581 11.202 3.981) 11.993 5.076 ( -1.774 6.695 8.227) 10.754 5.331 ( 2.516 1.582 2.292) 3.753 5.551 ( -12.559 -5.452 13.609) 19.305 6.269 ( -4.315 -2.875 18.193) 18.917 6.533 ( 4.642 -3.989 -9.920) 11.656 6.918 ( -2.010 -7.236 3.483) 8.278 7.311 ( 7.480 -4.026 -5.367) 10.048 7.656 ( -1.924 8.973 6.405) 11.192 8.528 ( -1.274 -1.208 -14.239) 14.347 8.683 ( 8.421 0.448 -14.914) 17.133 9.454 ( 1.103 -13.010 0.558) 13.069 9.956 ( 6.059 0.007 -8.797) 10.682 10.007 ( -2.257 2.179 -5.431) 6.272 10.224 ( -2.204 2.661 -10.647) 11.194 10.570 ( 0.251 -1.021 1.220) 1.610 10.728 ( 0.269 1.033 4.083) 4.220 11.147 ( -5.606 0.745 11.442) 12.763 11.524 ( -0.357 2.770 18.734) 18.941 13.023 ( -5.524 0.739 -9.074) 10.649 13.269 ( 9.397 -4.473 -2.379) 10.676 13.596 ( -5.010 2.753 13.054) 14.251 13.787 ( -1.045 2.246 4.054) 4.751 15.186 ( 6.372 -12.271 -5.525) 14.890 15.724 ( 2.018 -1.413 -22.423) 22.557 16.112 ( -5.231 -0.491 9.306) 10.687 16.149 ( -2.234 0.532 11.127) 11.362 16.464 ( -1.158 -3.040 6.181) 6.985 16.689 ( -2.812 -0.969 6.130) 6.814 19.885 ( 2.088 -0.457 -5.802) 6.183 20.869 ( 0.881 3.234 -2.452) 4.153 22.343 ( 2.145 -1.216 -15.873) 16.063 22.612 ( 5.579 1.306 -6.879) 8.952 26.878 ( -13.059 2.617 36.898) 39.228 27.030 ( -12.978 -12.720 42.738) 46.441 30.263 ( -0.229 0.278 12.065) 12.071 30.415 ( -5.739 1.598 1.276) 6.092 30.947 ( -1.162 -1.842 3.540) 4.156 31.388 ( 3.986 -1.213 -11.872) 12.582 31.861 ( 3.425 0.103 -7.483) 8.230 33.453 ( 3.721 -1.258 -12.755) 13.346 35.518 ( -4.579 -7.709 1.134) 9.038 35.751 ( -4.478 -12.919 -3.162) 14.034 36.099 ( 6.696 5.844 1.429) 9.002 38.365 ( 9.987 12.004 -21.608) 26.660 ======================= Grid point 153 (77/201) ======================= q-point: (-0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -1.867 25.100 -1.268) 25.201 2.112 ( 11.801 25.055 9.467) 29.269 2.541 ( -2.950 -7.085 9.651) 12.330 3.243 ( -6.032 -0.634 -7.043) 9.294 3.393 ( -4.576 5.296 10.130) 12.313 3.754 ( 0.370 -2.695 5.998) 6.586 4.119 ( -1.354 0.316 2.175) 2.581 4.265 ( -14.923 2.866 41.125) 43.843 4.500 ( -11.055 -3.266 39.528) 41.174 4.668 ( 3.208 12.199 12.043) 17.439 5.020 ( -2.303 1.545 3.736) 4.653 5.288 ( -2.653 4.468 3.626) 6.336 5.546 ( -8.235 -2.889 15.468) 17.760 6.346 ( -4.368 -4.836 13.933) 15.382 6.544 ( 1.142 1.267 -6.501) 6.721 7.034 ( 0.594 -8.257 2.625) 8.685 7.415 ( 6.922 6.093 -0.407) 9.231 7.552 ( -5.585 -2.531 1.754) 6.378 8.466 ( 0.879 0.379 -14.294) 14.327 8.730 ( 7.677 -1.577 -16.185) 17.982 9.628 ( 1.082 -7.932 -3.777) 8.852 9.918 ( -2.970 0.621 -1.378) 3.333 10.010 ( 4.797 -0.442 -6.811) 8.342 10.119 ( -0.506 1.646 -11.207) 11.339 10.579 ( 2.441 4.024 3.626) 5.942 10.754 ( -2.994 -4.932 4.828) 7.523 11.113 ( -4.091 2.118 11.244) 12.151 11.542 ( -2.838 2.611 16.791) 17.228 12.908 ( -3.548 1.861 -8.637) 9.521 13.429 ( 7.038 -4.204 -3.789) 9.032 13.589 ( -1.828 -2.228 6.528) 7.136 13.792 ( -3.559 -3.850 8.484) 9.974 15.404 ( 8.792 -8.700 -10.501) 16.225 15.638 ( -0.001 1.887 -21.174) 21.258 16.100 ( -5.070 -1.880 9.381) 10.828 16.182 ( -1.875 -1.090 14.741) 14.900 16.492 ( -3.200 -0.804 6.174) 7.000 16.713 ( -1.830 -2.768 6.412) 7.220 19.880 ( -0.703 -0.206 -4.216) 4.279 20.818 ( 0.377 3.177 -2.735) 4.210 22.319 ( 2.748 -0.533 -15.610) 15.859 22.619 ( 4.641 2.380 -8.811) 10.240 26.821 ( -12.035 3.585 34.640) 36.846 27.270 ( -19.099 -21.556 47.894) 55.887 30.156 ( -12.048 2.153 2.921) 12.582 30.471 ( 4.524 -0.649 11.389) 12.271 30.973 ( 0.578 -1.336 -0.074) 1.458 31.340 ( -3.609 1.134 -12.377) 12.942 32.011 ( 19.703 -3.765 -2.274) 20.188 33.419 ( -2.506 -0.747 -14.712) 14.943 35.570 ( -4.742 -7.631 0.063) 8.984 35.851 ( -2.924 -8.107 -3.359) 9.249 36.151 ( 9.862 1.983 3.276) 10.579 38.167 ( 6.747 16.883 -25.374) 31.216 ======================= Grid point 154 (78/201) ======================= q-point: (-0.12 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.787 25.306 2.307) 25.474 2.107 ( 15.329 10.391 18.990) 26.525 2.579 ( -7.785 -1.491 11.646) 14.088 3.114 ( -4.249 0.230 -10.667) 11.485 3.383 ( 3.194 3.723 13.313) 14.188 3.825 ( -3.804 -7.459 4.282) 9.404 4.055 ( -4.623 7.241 9.973) 13.163 4.197 ( -10.991 5.706 36.294) 38.348 4.589 ( -9.375 -2.200 38.620) 39.802 4.690 ( 3.992 0.251 16.095) 16.584 4.998 ( -1.248 -1.914 -4.006) 4.612 5.209 ( -1.718 5.142 5.354) 7.619 5.536 ( -6.682 0.411 17.562) 18.795 6.357 ( -2.810 2.962 6.426) 7.613 6.554 ( -2.758 -6.626 1.539) 7.340 7.169 ( 1.781 -7.413 -0.453) 7.637 7.267 ( -2.954 15.098 7.224) 16.996 7.622 ( -1.528 -10.295 -6.408) 12.222 8.430 ( 4.876 0.890 -14.911) 15.713 8.779 ( 6.155 -2.246 -16.059) 17.344 9.573 ( -2.465 9.033 -7.319) 11.885 9.964 ( -0.335 -4.945 -9.328) 10.563 9.995 ( 0.546 -3.896 -2.817) 4.839 10.139 ( 4.799 -2.753 -2.610) 6.117 10.559 ( 3.084 6.411 6.658) 9.744 10.818 ( -3.227 -6.889 0.989) 7.672 11.081 ( -3.349 2.408 12.964) 13.604 11.522 ( -5.366 1.941 13.678) 14.821 12.807 ( -1.205 3.178 -7.380) 8.125 13.519 ( 2.769 -2.643 -4.846) 6.176 13.659 ( 1.080 -4.921 1.337) 5.213 13.882 ( -7.614 -12.416 12.870) 19.436 15.436 ( -6.316 2.793 -14.008) 15.618 15.601 ( 12.836 -0.724 -19.721) 23.542 16.114 ( -4.227 -2.104 10.884) 11.864 16.254 ( -3.422 -4.222 16.406) 17.282 16.465 ( -4.042 0.946 5.090) 6.568 16.747 ( -3.642 -1.522 7.301) 8.300 19.841 ( -2.259 0.192 -2.874) 3.660 20.778 ( 1.484 2.150 -2.926) 3.922 22.300 ( 4.053 0.153 -14.228) 14.795 22.587 ( 3.863 3.584 -11.346) 12.510 26.767 ( -11.096 3.360 32.772) 34.762 27.509 ( -30.331 -26.106 49.105) 63.347 29.980 ( -10.330 3.678 1.744) 11.103 30.580 ( 2.915 -0.350 13.500) 13.815 30.992 ( 1.595 0.217 -3.220) 3.600 31.205 ( -3.529 3.100 -7.129) 8.537 32.406 ( 24.954 -10.227 -2.221) 27.059 33.282 ( -9.006 0.187 -16.586) 18.874 35.602 ( -5.207 -5.609 -0.494) 7.669 35.868 ( -1.193 -0.357 0.724) 1.440 36.303 ( 8.867 -2.461 -0.407) 9.211 37.882 ( 9.310 19.352 -27.038) 34.529 ======================= Grid point 158 (79/201) ======================= q-point: ( 0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 2.755 -0.000 23.126) 23.289 2.653 ( -1.522 0.000 12.532) 12.624 3.100 ( 6.052 -0.000 1.020) 6.137 3.383 ( -7.197 0.000 16.356) 17.869 3.521 ( 0.283 -0.000 -3.374) 3.386 3.724 ( -12.199 0.000 31.675) 33.943 4.122 ( -6.102 0.000 -8.730) 10.651 4.435 ( 2.816 -0.000 8.709) 9.153 4.459 ( -10.864 0.000 40.841) 42.261 4.874 ( -12.039 0.000 15.417) 19.560 5.177 ( 13.708 -0.000 14.887) 20.237 5.220 ( 8.157 -0.000 3.750) 8.977 5.558 ( -15.307 0.000 6.885) 16.784 6.320 ( 0.192 -0.000 -4.629) 4.633 6.350 ( -9.104 0.000 21.467) 23.318 6.711 ( -2.312 0.000 -5.518) 5.982 7.161 ( 2.978 -0.000 -4.163) 5.118 7.971 ( 2.875 -0.000 -0.552) 2.928 8.475 ( 1.263 -0.000 -12.843) 12.905 8.717 ( 4.401 -0.000 -10.260) 11.164 9.111 ( 0.493 -0.000 1.376) 1.462 9.949 ( 7.171 -0.000 -14.139) 15.854 10.023 ( -2.634 0.000 -11.805) 12.095 10.418 ( 4.446 -0.000 -5.318) 6.931 10.479 ( -5.905 0.000 -3.262) 6.746 10.788 ( 2.608 -0.000 1.149) 2.849 11.171 ( -6.688 0.000 10.736) 12.648 11.510 ( 0.860 -0.000 18.492) 18.512 12.975 ( 7.494 -0.000 -1.297) 7.605 13.227 ( -3.722 0.000 -8.656) 9.423 13.815 ( -1.746 0.000 3.612) 4.012 14.013 ( -13.066 0.000 30.416) 33.103 14.627 ( 1.355 -0.000 -1.528) 2.042 15.687 ( 7.284 -0.000 -27.071) 28.034 16.139 ( -3.700 0.000 12.613) 13.144 16.183 ( -4.112 0.000 4.179) 5.863 16.346 ( 0.324 -0.000 2.224) 2.247 16.693 ( -3.598 0.000 8.682) 9.398 19.884 ( 3.494 -0.000 -9.532) 10.152 20.932 ( 3.111 -0.000 -1.877) 3.633 22.337 ( 2.592 -0.000 -15.131) 15.352 22.580 ( 6.497 -0.000 -6.107) 8.917 26.737 ( -8.789 0.000 33.465) 34.600 27.034 ( -18.363 0.000 40.451) 44.424 30.127 ( 8.116 -0.000 10.312) 13.123 30.603 ( -11.746 0.000 2.907) 12.100 30.897 ( -3.560 0.000 10.106) 10.715 31.348 ( 5.613 -0.000 -11.565) 12.855 31.925 ( -6.185 0.000 -11.679) 13.215 33.402 ( 7.170 -0.000 -12.097) 14.062 35.372 ( -5.630 0.000 1.243) 5.766 35.508 ( -5.390 0.000 -0.382) 5.404 36.162 ( 4.808 -0.000 -2.221) 5.296 38.551 ( 13.689 -0.000 -17.945) 22.570 ======================= Grid point 159 (80/201) ======================= q-point: (-0.50 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -0.715 -2.495 21.160) 21.318 2.584 ( -2.556 9.548 5.978) 11.551 3.163 ( -6.583 1.960 -2.906) 7.458 3.278 ( 7.316 10.241 12.285) 17.588 3.441 ( -9.897 3.627 8.089) 13.287 3.766 ( -5.122 -3.018 21.146) 21.966 4.043 ( -6.258 -4.401 -6.040) 9.747 4.423 ( -2.399 5.832 9.547) 11.442 4.492 ( -14.201 0.903 47.727) 49.803 4.808 ( -9.149 -3.286 11.157) 14.798 5.340 ( 6.461 2.576 6.828) 9.747 5.352 ( -3.629 2.883 3.197) 5.631 5.431 ( -0.084 -1.957 16.115) 16.233 6.292 ( -7.654 3.410 17.510) 19.411 6.355 ( 3.948 -5.130 -6.089) 8.887 6.713 ( -2.610 -6.474 -2.697) 7.483 7.204 ( 3.893 -2.180 -3.269) 5.531 7.947 ( 2.025 8.026 2.657) 8.693 8.449 ( -0.693 -2.819 -12.447) 12.781 8.729 ( 6.623 1.357 -12.695) 14.383 9.172 ( 1.184 -5.730 2.979) 6.566 9.954 ( 1.408 -0.413 -11.288) 11.383 9.992 ( 4.121 -1.298 -11.618) 12.395 10.327 ( -4.249 4.605 -6.401) 8.957 10.482 ( -0.220 -3.865 -4.585) 6.000 10.816 ( 3.443 2.522 2.230) 4.815 11.148 ( -5.023 -0.403 11.673) 12.714 11.581 ( -0.680 0.998 17.581) 17.623 13.009 ( -2.488 -1.152 -6.080) 6.670 13.211 ( 6.749 -0.108 -3.943) 7.817 13.773 ( -3.831 5.875 12.426) 14.269 13.924 ( -5.839 7.324 17.209) 19.594 14.761 ( 1.198 -14.639 1.438) 14.758 15.670 ( 6.087 -1.519 -27.100) 27.817 16.128 ( -4.895 0.943 9.176) 10.442 16.160 ( -2.015 0.237 7.161) 7.442 16.378 ( 0.177 -2.252 3.343) 4.034 16.680 ( -3.918 -0.007 7.854) 8.777 19.887 ( 3.581 0.297 -8.831) 9.534 20.941 ( 1.290 1.502 -2.348) 3.071 22.309 ( 2.608 -0.820 -16.182) 16.412 22.630 ( 5.193 0.185 -5.630) 7.662 26.789 ( -9.483 -3.297 35.423) 36.818 26.978 ( -15.294 1.663 39.660) 42.539 30.263 ( 3.893 -0.161 12.065) 12.678 30.445 ( -11.083 0.496 -0.697) 11.116 30.903 ( -2.757 -0.925 8.714) 9.187 31.364 ( 4.314 -0.411 -12.326) 13.065 31.862 ( 3.119 0.023 -7.910) 8.502 33.427 ( 4.302 -0.518 -13.091) 13.790 35.334 ( -5.000 -4.333 -0.229) 6.621 35.482 ( -3.636 -4.976 -1.232) 6.285 36.220 ( 6.718 2.344 1.383) 7.248 38.589 ( 8.927 4.058 -18.743) 21.153 ======================= Grid point 160 (81/201) ======================= q-point: (-0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -5.513 -3.832 16.177) 17.515 2.419 ( -1.400 11.922 1.002) 12.046 2.871 ( -5.903 19.115 0.936) 20.028 3.270 ( -7.526 2.327 4.498) 9.071 3.402 ( 3.069 0.071 4.461) 5.415 3.790 ( -1.806 1.794 10.906) 11.199 4.029 ( -4.813 -5.760 -1.577) 7.670 4.342 ( -8.091 4.777 25.528) 27.202 4.480 ( -16.826 1.547 51.298) 54.009 4.829 ( -3.324 -4.464 6.014) 8.194 5.161 ( -10.256 4.676 -0.309) 11.276 5.417 ( 2.335 3.997 7.167) 8.532 5.520 ( 2.864 4.494 20.112) 20.806 6.240 ( -6.771 -0.424 13.690) 15.279 6.503 ( 8.398 -6.319 -8.191) 13.325 6.778 ( -3.409 -8.701 0.979) 9.396 7.285 ( 3.275 -4.117 -2.672) 5.900 7.840 ( 1.056 11.690 4.276) 12.492 8.422 ( -0.724 -2.724 -13.943) 14.225 8.741 ( 7.397 1.580 -14.175) 16.066 9.317 ( 1.711 -9.967 2.868) 10.511 9.930 ( -1.065 -1.207 -6.693) 6.884 10.025 ( 6.297 0.327 -8.942) 10.942 10.179 ( -4.488 3.155 -9.110) 10.634 10.509 ( -1.117 -3.946 -3.501) 5.393 10.821 ( 2.600 4.438 4.204) 6.643 11.145 ( -3.572 0.201 11.373) 11.922 11.612 ( -2.893 1.710 16.405) 16.746 12.940 ( -3.159 0.317 -6.704) 7.418 13.321 ( 8.173 -2.478 -3.375) 9.183 13.676 ( -4.572 8.076 17.877) 20.142 13.836 ( -1.924 4.953 4.659) 7.067 15.030 ( 3.292 -17.149 1.936) 17.569 15.645 ( 4.613 -0.949 -26.171) 26.591 16.085 ( -4.670 0.756 7.106) 8.537 16.176 ( -1.536 0.001 10.696) 10.806 16.432 ( -0.776 -2.980 4.892) 5.780 16.666 ( -3.374 -0.616 6.931) 7.734 19.889 ( 2.812 0.708 -7.447) 7.991 20.905 ( -0.319 2.665 -2.779) 3.864 22.291 ( 3.105 -1.188 -16.389) 16.723 22.657 ( 3.836 0.558 -6.477) 7.549 26.885 ( -11.113 -6.317 38.609) 40.670 26.932 ( -13.346 2.332 38.758) 41.058 30.205 ( -13.114 1.198 2.800) 13.463 30.442 ( 4.094 -1.310 8.170) 9.231 30.926 ( -1.348 -1.625 6.026) 6.385 31.351 ( 0.980 0.035 -13.146) 13.183 31.950 ( 13.978 -1.033 -3.971) 14.568 33.404 ( -0.094 -0.294 -14.487) 14.490 35.359 ( -3.587 -6.757 -0.614) 7.675 35.551 ( -0.088 -9.465 -2.025) 9.680 36.272 ( 6.754 4.202 3.776) 8.806 38.505 ( 4.177 7.894 -20.768) 22.607 ======================= Grid point 161 (82/201) ======================= q-point: (-0.25 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -3.196 18.257 1.491) 18.595 2.297 ( -8.456 -3.873 9.855) 13.551 2.561 ( -7.365 11.753 0.267) 13.872 3.207 ( 0.013 0.821 0.558) 0.993 3.400 ( -1.063 3.434 5.124) 6.259 3.787 ( -0.808 2.296 6.566) 7.003 4.070 ( -1.247 -5.298 0.664) 5.483 4.304 ( -12.133 2.226 39.266) 41.158 4.493 ( -13.045 -1.525 46.708) 48.519 4.862 ( 0.127 1.448 5.987) 6.160 4.979 ( -8.414 2.085 -2.462) 9.011 5.376 ( -0.945 7.579 13.984) 15.934 5.566 ( 0.740 3.107 15.558) 15.883 6.245 ( -6.208 -4.678 9.136) 11.996 6.593 ( 5.884 2.681 -7.564) 9.950 6.898 ( -1.632 -11.476 3.244) 12.037 7.366 ( -0.986 -6.221 -1.472) 6.468 7.684 ( -0.217 13.645 3.844) 14.178 8.402 ( 1.918 -2.595 -15.097) 15.437 8.754 ( 7.079 0.707 -15.202) 16.784 9.508 ( 2.625 -11.421 1.495) 11.814 9.887 ( -2.410 1.841 -3.268) 4.459 10.017 ( -1.794 2.773 -6.045) 6.889 10.104 ( 4.875 -0.773 -10.642) 11.731 10.550 ( -1.520 -6.336 -1.566) 6.701 10.793 ( 0.668 5.696 6.974) 9.029 11.142 ( -2.751 1.297 10.336) 10.774 11.594 ( -5.589 2.597 14.766) 16.001 12.880 ( 0.141 1.667 -5.678) 5.919 13.435 ( 5.250 -3.331 -5.089) 8.035 13.610 ( -2.525 3.714 13.533) 14.259 13.771 ( -2.764 2.423 3.971) 5.411 15.298 ( 2.916 -12.438 -1.698) 12.888 15.602 ( 6.548 0.163 -24.789) 25.640 16.058 ( -4.517 -0.680 8.799) 9.914 16.209 ( -1.689 -0.454 12.403) 12.526 16.467 ( -2.354 -1.223 5.328) 5.952 16.681 ( -2.046 -2.335 6.641) 7.331 19.868 ( 0.778 1.669 -5.474) 5.775 20.847 ( -0.398 2.589 -3.085) 4.047 22.285 ( 4.187 -1.133 -15.534) 16.128 22.655 ( 2.670 1.270 -8.296) 8.807 26.887 ( -10.879 4.763 38.243) 40.045 27.012 ( -15.725 -10.823 41.203) 45.410 30.039 ( -11.029 0.828 1.483) 11.159 30.549 ( 2.425 -1.691 10.920) 11.313 30.964 ( 0.668 -1.803 2.266) 2.972 31.274 ( -2.153 1.748 -11.987) 12.303 32.212 ( 22.190 -4.196 -1.805) 22.655 33.298 ( -5.732 0.973 -16.233) 17.242 35.416 ( -2.320 -6.820 -0.480) 7.220 35.714 ( 3.270 -10.180 -1.628) 10.816 36.313 ( 6.427 3.499 3.943) 8.312 38.302 ( 0.335 11.096 -23.349) 25.854 ======================= Grid point 162 (83/201) ======================= q-point: (-0.12 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.127 20.585 4.151) 20.999 2.259 ( -9.531 1.340 10.952) 14.580 2.423 ( -8.892 -9.404 -2.264) 13.138 3.197 ( 8.851 9.244 -0.179) 12.799 3.411 ( -2.899 -5.048 10.451) 11.963 3.758 ( -2.489 0.886 2.027) 3.329 4.095 ( -5.722 1.281 15.123) 16.220 4.306 ( -8.887 2.697 38.042) 39.160 4.562 ( -11.246 -3.421 38.365) 40.125 4.844 ( 0.837 1.956 2.160) 3.032 4.906 ( -2.740 -1.554 0.166) 3.154 5.325 ( -0.536 6.465 13.091) 14.610 5.588 ( -0.762 3.133 17.366) 17.663 6.275 ( -5.937 -6.180 4.044) 9.476 6.555 ( 2.837 5.542 -3.065) 6.939 7.035 ( -2.770 -8.615 1.058) 9.111 7.393 ( -9.122 -0.519 5.137) 10.482 7.524 ( 3.584 6.307 -1.613) 7.431 8.423 ( 5.935 -2.484 -15.300) 16.598 8.770 ( 5.827 -0.267 -15.688) 16.737 9.640 ( 1.700 3.653 -2.831) 4.924 9.839 ( -1.040 -6.273 -2.867) 6.975 9.935 ( -1.870 -0.213 -5.170) 5.502 10.161 ( 5.604 -1.677 -5.747) 8.200 10.632 ( -0.003 -6.573 -1.164) 6.675 10.746 ( -1.271 4.620 7.884) 9.226 11.127 ( -2.687 1.917 11.644) 12.103 11.525 ( -8.028 2.774 12.555) 15.158 12.845 ( 3.423 3.605 -4.682) 6.829 13.483 ( 0.319 -1.847 -5.594) 5.900 13.631 ( 0.109 -1.815 6.715) 6.956 13.742 ( -5.077 -2.600 7.430) 9.366 15.346 ( -3.183 0.449 -10.648) 11.123 15.663 ( 12.814 -2.536 -19.428) 23.411 16.070 ( -4.243 -2.671 12.035) 13.038 16.244 ( -3.081 -1.076 12.781) 13.192 16.455 ( -2.864 0.855 5.191) 5.990 16.718 ( -2.142 -1.842 6.432) 7.025 19.824 ( -0.208 1.759 -3.335) 3.776 20.807 ( 0.963 1.454 -3.310) 3.741 22.299 ( 5.614 -0.759 -13.623) 14.754 22.619 ( 1.958 2.227 -10.518) 10.928 26.841 ( -9.968 5.530 36.899) 38.620 27.125 ( -20.548 -12.162 42.933) 49.126 29.921 ( -6.399 1.328 2.800) 7.110 30.641 ( 0.099 -1.963 12.283) 12.439 31.007 ( 2.566 -0.480 -2.176) 3.399 31.172 ( -1.986 1.475 -7.668) 8.057 32.577 ( 22.129 -6.427 -3.089) 23.249 33.097 ( -10.278 2.103 -17.274) 20.211 35.481 ( -1.146 -5.226 0.195) 5.354 35.843 ( 1.035 -3.204 0.618) 3.423 36.387 ( 6.208 0.030 0.571) 6.234 38.045 ( 2.146 10.342 -24.564) 26.738 ======================= Grid point 167 (84/201) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -4.323 0.000 22.112) 22.531 2.585 ( -10.729 0.000 5.926) 12.256 3.062 ( -7.654 0.000 -7.358) 10.617 3.389 ( -2.419 0.000 14.284) 14.488 3.534 ( 0.346 -0.000 3.864) 3.880 3.703 ( -10.517 0.000 28.365) 30.252 3.927 ( -0.444 0.000 -12.503) 12.511 4.453 ( -7.691 0.000 16.805) 18.482 4.521 ( -15.115 0.000 44.889) 47.365 4.717 ( -5.958 0.000 9.766) 11.440 5.191 ( -15.116 0.000 4.027) 15.644 5.456 ( 5.205 -0.000 7.160) 8.852 5.655 ( 10.651 -0.000 15.754) 19.017 6.303 ( 2.250 -0.000 -6.518) 6.895 6.337 ( -4.804 0.000 17.923) 18.555 6.616 ( -0.495 0.000 -6.505) 6.523 7.232 ( 4.147 -0.000 -0.006) 4.147 8.039 ( 1.431 -0.000 0.625) 1.561 8.368 ( -0.931 0.000 -11.253) 11.292 8.769 ( 7.186 -0.000 -14.195) 15.910 9.164 ( 1.599 -0.000 4.299) 4.586 9.902 ( 0.510 -0.000 -9.015) 9.029 10.023 ( 7.633 -0.000 -12.832) 14.931 10.253 ( -7.878 0.000 -5.118) 9.395 10.439 ( 1.264 -0.000 -7.299) 7.407 10.891 ( 4.067 -0.000 1.154) 4.227 11.140 ( -3.844 0.000 12.597) 13.171 11.633 ( -3.240 0.000 15.812) 16.140 12.938 ( -2.831 0.000 -5.564) 6.243 13.293 ( 7.987 -0.000 -3.824) 8.855 13.825 ( 0.105 -0.000 3.129) 3.131 14.017 ( -8.055 0.000 34.383) 35.314 14.652 ( 1.047 -0.000 -0.254) 1.077 15.623 ( 6.608 -0.000 -28.774) 29.523 16.106 ( -4.475 0.000 6.337) 7.758 16.176 ( -1.628 0.000 9.544) 9.682 16.378 ( 0.037 -0.000 3.372) 3.372 16.661 ( -4.103 0.000 7.749) 8.769 19.903 ( 4.314 -0.000 -8.946) 9.932 20.946 ( -0.469 0.000 -2.693) 2.733 22.270 ( 3.276 -0.000 -17.019) 17.331 22.663 ( 3.507 -0.000 -5.793) 6.772 26.790 ( -10.091 0.000 34.924) 36.353 26.983 ( -12.525 0.000 41.300) 43.157 30.221 ( -14.347 0.000 2.230) 14.519 30.418 ( 3.849 -0.000 7.356) 8.302 30.901 ( -2.362 0.000 8.839) 9.149 31.351 ( 2.399 -0.000 -13.287) 13.502 31.937 ( 12.515 -0.000 -4.480) 13.293 33.401 ( 1.184 -0.000 -14.245) 14.294 35.247 ( -2.649 0.000 -0.981) 2.825 35.414 ( -0.875 0.000 -1.368) 1.624 36.335 ( 6.568 -0.000 3.828) 7.602 38.618 ( 3.840 -0.000 -19.679) 20.050 ======================= Grid point 168 (85/201) ======================= q-point: (-0.38 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -9.668 1.445 18.420) 20.853 2.451 ( -10.640 0.125 5.156) 11.824 2.861 ( -14.176 5.288 -5.886) 16.234 3.280 ( -8.855 9.692 7.010) 14.882 3.544 ( 6.042 2.379 8.404) 10.620 3.782 ( -6.544 -7.155 14.065) 17.084 3.899 ( 1.473 -2.086 -8.869) 9.230 4.386 ( -11.396 2.494 24.193) 26.859 4.499 ( -18.603 0.993 52.316) 55.534 4.746 ( 0.067 -3.607 3.978) 5.370 5.024 ( -14.690 0.381 7.870) 16.669 5.521 ( 2.058 1.572 5.719) 6.278 5.772 ( 5.613 7.634 15.997) 18.593 6.235 ( -3.212 4.166 5.754) 7.797 6.484 ( 5.711 -10.115 3.701) 12.191 6.633 ( 0.104 -4.462 -5.516) 7.096 7.292 ( 2.561 -0.408 3.060) 4.011 7.994 ( 0.771 7.002 -2.559) 7.495 8.326 ( 0.147 -1.987 -12.780) 12.934 8.791 ( 7.155 1.104 -15.333) 16.956 9.245 ( 1.755 -5.445 4.473) 7.262 9.890 ( 1.417 -0.621 -6.184) 6.374 10.072 ( 7.306 -0.708 -12.628) 14.606 10.120 ( -5.838 2.623 -3.421) 7.257 10.429 ( -0.646 -2.208 -7.476) 7.822 10.924 ( 3.035 2.811 1.990) 4.591 11.153 ( -3.029 -0.227 12.237) 12.608 11.635 ( -5.771 0.412 13.827) 14.989 12.900 ( 0.121 -0.002 -3.789) 3.791 13.372 ( 6.083 -0.940 -4.826) 7.821 13.808 ( 0.323 4.513 3.009) 5.434 13.966 ( -4.944 12.776 28.739) 31.837 14.822 ( 1.327 -17.992 5.138) 18.759 15.590 ( 6.662 -0.588 -28.700) 29.469 16.071 ( -4.009 0.889 6.228) 7.460 16.200 ( -1.451 -0.183 10.606) 10.706 16.406 ( -0.680 -2.063 4.219) 4.745 16.645 ( -3.643 -0.383 7.441) 8.294 19.916 ( 4.381 1.204 -8.146) 9.327 20.909 ( -1.633 1.423 -2.853) 3.582 22.251 ( 4.255 -0.892 -17.213) 17.754 22.670 ( 1.983 0.088 -6.814) 7.097 26.823 ( -11.672 -2.981 35.299) 37.298 27.009 ( -8.914 2.733 43.936) 44.914 30.039 ( -13.454 -0.396 -0.353) 13.465 30.502 ( 1.696 -1.192 9.347) 9.574 30.918 ( -1.470 -1.024 7.536) 7.747 31.306 ( -0.046 0.532 -13.794) 13.804 32.142 ( 20.210 -1.081 -1.943) 20.332 33.327 ( -2.489 0.754 -15.559) 15.775 35.260 ( 0.537 -3.522 -0.349) 3.580 35.455 ( 2.586 -5.693 -1.633) 6.462 36.411 ( 4.725 2.270 4.839) 7.134 38.518 ( -1.085 4.078 -21.795) 22.199 ======================= Grid point 169 (86/201) ======================= q-point: (-0.25 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -14.823 -3.082 9.554) 17.902 2.279 ( -17.939 8.196 7.962) 21.269 2.557 ( -7.869 9.201 -6.564) 13.772 3.148 ( -7.050 -3.261 6.699) 10.257 3.575 ( 6.204 8.046 3.116) 10.627 3.812 ( -4.133 -1.073 5.310) 6.814 3.970 ( 2.259 -6.792 -1.664) 7.349 4.330 ( -12.687 0.601 33.356) 35.692 4.489 ( -17.099 -1.771 50.058) 52.927 4.818 ( -0.852 -4.053 4.022) 5.773 4.874 ( -12.160 1.025 9.133) 15.242 5.511 ( -0.742 4.155 5.106) 6.625 5.758 ( 1.724 9.555 18.737) 21.103 6.199 ( 0.018 1.228 4.427) 4.594 6.658 ( 1.264 -1.031 -6.085) 6.300 6.730 ( 3.703 -11.631 4.552) 13.027 7.310 ( -2.373 0.704 4.713) 5.323 7.857 ( -0.046 10.523 -4.368) 11.394 8.326 ( 3.305 -3.584 -14.703) 15.490 8.793 ( 6.590 1.492 -15.967) 17.338 9.397 ( 2.245 -10.047 4.124) 11.090 9.881 ( 0.746 1.277 -5.731) 5.919 10.006 ( -3.074 2.695 -2.722) 4.912 10.129 ( 6.838 -0.140 -9.520) 11.722 10.432 ( -1.424 -4.965 -5.573) 7.599 10.909 ( 1.126 4.968 4.754) 6.968 11.164 ( -2.794 0.553 10.936) 11.300 11.591 ( -7.940 1.203 11.939) 14.389 12.908 ( 3.877 0.872 -2.268) 4.576 13.427 ( 2.776 -1.791 -6.373) 7.178 13.743 ( -0.352 7.520 8.903) 11.659 13.836 ( -3.160 10.366 14.928) 18.447 15.134 ( 2.193 -16.163 5.101) 17.090 15.580 ( 8.719 -1.994 -26.500) 27.969 16.040 ( -3.631 0.451 7.766) 8.584 16.230 ( -2.115 -0.256 11.755) 11.946 16.443 ( -1.378 -1.878 5.012) 5.527 16.651 ( -2.533 -1.932 7.089) 7.772 19.903 ( 3.091 3.185 -6.265) 7.678 20.852 ( -1.402 1.645 -2.971) 3.674 22.261 ( 5.640 -1.678 -16.259) 17.292 22.653 ( 0.890 0.366 -8.437) 8.491 26.867 ( -13.807 -4.611 36.067) 38.894 27.045 ( -5.977 6.150 46.386) 47.172 29.909 ( -8.876 -1.752 0.942) 9.097 30.572 ( -1.108 -2.566 9.348) 9.757 30.958 ( 0.281 -2.062 4.613) 5.061 31.221 ( -1.833 1.468 -12.401) 12.622 32.451 ( 23.795 -2.708 -1.422) 23.991 33.174 ( -6.760 2.898 -17.024) 18.545 35.335 ( 2.322 -4.194 0.349) 4.806 35.627 ( 6.234 -10.185 -0.978) 11.982 36.437 ( 2.857 3.024 4.220) 5.925 38.298 ( -4.993 6.995 -24.375) 25.846 ======================= Grid point 170 (87/201) ======================= q-point: (-0.12 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -23.744 3.673 8.714) 25.557 2.045 ( -13.701 -12.942 3.879) 19.242 2.348 ( 1.971 13.311 -5.843) 14.670 3.224 ( -4.258 -11.470 8.012) 14.625 3.531 ( 5.769 10.890 5.121) 13.345 3.763 ( -3.223 2.910 1.625) 4.637 4.072 ( -1.282 -4.169 5.230) 6.810 4.340 ( -11.657 -2.756 38.660) 40.473 4.525 ( -16.153 -3.709 44.998) 47.953 4.750 ( -8.286 0.190 4.062) 9.230 4.893 ( -0.753 -4.630 3.446) 5.821 5.441 ( -2.476 5.343 5.475) 8.041 5.743 ( 0.551 6.408 20.899) 21.866 6.215 ( 2.130 1.336 2.289) 3.400 6.634 ( -0.015 1.966 -4.542) 4.949 6.914 ( 0.731 -7.203 3.091) 7.872 7.261 ( -7.689 -0.679 5.466) 9.458 7.688 ( 0.792 10.552 -2.410) 10.853 8.388 ( 6.880 -4.672 -15.326) 17.437 8.783 ( 5.444 1.268 -16.260) 17.194 9.618 ( 4.368 -12.502 3.263) 13.640 9.816 ( 0.246 5.155 -6.134) 8.016 9.918 ( -1.503 4.418 -2.274) 5.191 10.175 ( 4.483 -1.793 -7.621) 9.022 10.499 ( -0.066 -8.134 -3.763) 8.963 10.859 ( -0.281 6.252 6.446) 8.985 11.163 ( -2.716 0.933 12.089) 12.426 11.499 ( -9.672 2.560 10.911) 14.803 12.946 ( 6.938 2.733 -1.675) 7.642 13.428 ( -1.395 -1.119 -7.726) 7.930 13.693 ( -0.115 4.410 11.214) 12.050 13.729 ( -3.408 5.457 7.067) 9.557 15.277 ( 0.584 -2.409 -6.967) 7.395 15.683 ( 12.129 -5.711 -19.222) 23.436 16.042 ( -3.346 -1.458 11.594) 12.155 16.244 ( -3.860 0.057 11.375) 12.012 16.460 ( -1.489 0.244 6.295) 6.473 16.689 ( -1.689 -2.686 6.251) 7.011 19.860 ( 1.985 3.837 -3.504) 5.563 20.813 ( -0.035 0.524 -3.163) 3.206 22.304 ( 7.102 -1.876 -14.204) 15.991 22.612 ( 0.370 0.939 -10.231) 10.280 26.900 ( -14.622 -3.530 37.256) 40.178 27.065 ( -6.604 7.933 46.286) 47.423 29.874 ( -2.649 -1.875 4.121) 5.246 30.625 ( -3.646 -3.616 9.258) 10.587 31.021 ( 3.082 -1.886 -0.411) 3.637 31.130 ( -1.711 0.768 -7.924) 8.142 32.737 ( 10.157 -0.265 -8.373) 13.166 32.973 ( 0.458 1.938 -12.976) 13.128 35.437 ( 4.033 -3.920 1.350) 5.784 35.815 ( 3.187 -5.007 0.703) 5.977 36.455 ( 2.291 1.078 0.991) 2.719 38.038 ( -2.971 4.568 -25.661) 26.233 ======================= Grid point 176 (88/201) ======================= q-point: (-0.38 -0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -12.870 0.000 20.285) 24.023 2.237 ( -19.743 0.000 6.249) 20.709 2.708 ( -10.355 0.000 -6.350) 12.147 3.228 ( -21.984 0.000 6.371) 22.888 3.582 ( 1.728 -0.000 2.685) 3.193 3.746 ( 1.697 -0.000 12.655) 12.768 3.887 ( 3.575 -0.000 -9.903) 10.528 4.325 ( -13.378 0.000 20.412) 24.406 4.475 ( -21.202 0.000 55.488) 59.401 4.789 ( 5.453 -0.000 3.883) 6.694 4.892 ( -15.084 0.000 18.567) 23.922 5.552 ( -1.526 0.000 2.812) 3.199 5.956 ( 2.729 -0.000 17.087) 17.303 6.267 ( -3.929 0.000 0.824) 4.015 6.462 ( 4.790 -0.000 12.096) 13.010 6.635 ( 7.513 -0.000 -9.301) 11.957 7.339 ( 0.785 -0.000 6.593) 6.639 8.023 ( 0.449 -0.000 -10.341) 10.351 8.268 ( 1.597 -0.000 -12.685) 12.785 8.820 ( 6.889 -0.000 -17.048) 18.388 9.248 ( 1.610 -0.000 4.621) 4.894 9.894 ( 3.036 -0.000 -4.345) 5.301 10.016 ( -4.122 0.000 -7.908) 8.918 10.150 ( 6.938 -0.000 -5.575) 8.901 10.368 ( -0.764 0.000 -10.097) 10.126 10.986 ( 2.580 -0.000 0.185) 2.587 11.167 ( -3.309 0.000 14.000) 14.386 11.601 ( -8.138 0.000 11.409) 14.014 12.914 ( 3.783 -0.000 -1.258) 3.986 13.403 ( 3.249 -0.000 -6.146) 6.952 13.839 ( 0.779 -0.000 -3.126) 3.222 14.245 ( 0.163 -0.000 46.445) 46.445 14.667 ( -0.259 0.000 0.987) 1.020 15.553 ( 7.502 -0.000 -29.301) 30.246 16.056 ( -3.447 0.000 6.263) 7.149 16.226 ( -1.484 0.000 11.270) 11.368 16.397 ( -0.974 0.000 4.206) 4.317 16.627 ( -3.596 0.000 7.710) 8.508 19.956 ( 5.547 -0.000 -8.133) 9.844 20.881 ( -2.290 0.000 -2.623) 3.482 22.231 ( 5.413 -0.000 -17.929) 18.729 22.655 ( 0.478 -0.000 -7.679) 7.694 26.801 ( -11.791 0.000 33.941) 35.931 27.154 ( -3.060 0.000 51.352) 51.443 29.870 ( -11.123 0.000 -0.972) 11.166 30.529 ( -2.025 0.000 8.576) 8.812 30.925 ( -1.385 0.000 7.851) 7.972 31.242 ( -1.248 0.000 -13.763) 13.820 32.414 ( 24.000 -0.000 -0.999) 24.020 33.223 ( -4.382 0.000 -16.657) 17.224 35.277 ( 5.202 -0.000 0.935) 5.285 35.447 ( 4.244 -0.000 -1.735) 4.585 36.490 ( 1.747 -0.000 4.947) 5.246 38.403 ( -6.076 0.000 -24.735) 25.470 ======================= Grid point 177 (89/201) ======================= q-point: (-0.25 -0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -20.270 4.574 9.987) 23.055 2.051 ( -29.107 1.702 6.915) 29.965 2.594 ( 0.408 3.280 0.072) 3.306 2.948 ( -23.018 -6.117 6.707) 24.743 3.676 ( 0.136 -6.265 3.609) 7.231 3.768 ( 3.153 5.368 1.484) 6.400 3.941 ( 3.186 -4.167 -2.199) 5.688 4.260 ( -10.894 -2.385 16.909) 20.256 4.442 ( -21.370 -0.774 55.467) 59.447 4.790 ( -14.074 0.880 23.581) 27.475 4.863 ( 4.420 2.633 6.991) 8.680 5.515 ( -4.460 0.396 0.044) 4.478 5.970 ( -2.376 8.483 21.030) 22.801 6.262 ( 1.221 -2.815 3.659) 4.775 6.571 ( 0.073 -1.150 6.344) 6.448 6.737 ( 7.652 -3.913 -5.377) 10.138 7.347 ( -0.666 3.047 5.615) 6.423 7.933 ( 0.133 5.423 -12.633) 13.748 8.267 ( 4.389 -2.895 -13.985) 14.940 8.822 ( 6.271 1.033 -18.069) 19.154 9.327 ( 1.688 -5.919 3.978) 7.328 9.891 ( 0.575 2.292 -5.259) 5.765 9.977 ( 0.151 -2.591 -2.162) 3.378 10.199 ( 6.278 2.937 -7.761) 10.405 10.334 ( 0.095 -3.198 -9.082) 9.629 10.993 ( 1.184 2.774 1.687) 3.455 11.181 ( -3.808 0.261 14.005) 14.516 11.533 ( -9.227 -0.007 9.543) 13.274 12.980 ( 6.798 0.192 0.107) 6.801 13.400 ( 0.029 -0.512 -7.424) 7.442 13.811 ( 0.373 2.867 -3.029) 4.188 14.190 ( 1.142 24.849 31.523) 40.155 14.946 ( 3.996 -21.553 12.739) 25.353 15.545 ( 8.798 -2.270 -27.637) 29.093 16.040 ( -2.793 0.603 7.585) 8.105 16.253 ( -2.318 0.446 12.600) 12.819 16.421 ( -0.785 -2.274 5.162) 5.695 16.623 ( -3.210 -1.177 7.557) 8.295 19.974 ( 5.131 2.969 -6.961) 9.143 20.835 ( -2.023 0.793 -2.421) 3.253 22.244 ( 6.750 -1.723 -17.688) 19.011 22.620 ( -0.430 -0.065 -8.877) 8.888 26.805 ( -12.317 -1.862 33.655) 35.887 27.347 ( 3.599 7.977 59.275) 59.918 29.777 ( -6.054 -3.591 0.830) 7.088 30.530 ( -5.024 -2.310 6.829) 8.787 30.954 ( -0.489 -1.660 6.616) 6.839 31.162 ( -1.664 0.756 -11.722) 11.863 32.719 ( 21.693 -0.522 -3.182) 21.931 33.066 ( -4.635 2.950 -16.828) 17.702 35.366 ( 6.854 -0.277 1.525) 7.028 35.577 ( 7.236 -8.629 -0.789) 11.289 36.500 ( -0.979 1.535 3.968) 4.366 38.158 ( -10.625 2.842 -28.675) 30.712 ======================= Grid point 178 (90/201) ======================= q-point: (-0.12 -0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -34.943 1.611 4.171) 35.228 1.744 ( -17.667 -6.961 4.894) 19.610 2.554 ( 4.210 8.664 0.549) 9.648 2.944 ( -14.039 -18.980 12.036) 26.499 3.720 ( 0.823 4.607 -2.053) 5.111 3.752 ( 0.646 0.347 6.448) 6.490 4.016 ( 0.057 -3.874 0.786) 3.953 4.268 ( -8.210 -4.948 19.768) 21.970 4.426 ( -20.416 -3.296 49.164) 53.337 4.707 ( -11.546 1.442 21.945) 24.839 4.890 ( 1.410 2.831 8.442) 9.015 5.439 ( -5.445 0.670 -0.992) 5.575 5.908 ( -4.401 6.340 22.137) 23.444 6.341 ( 5.545 2.422 1.707) 6.287 6.582 ( -4.002 -1.921 5.955) 7.428 6.836 ( 0.636 -5.822 -1.274) 5.994 7.276 ( -1.576 7.278 2.112) 7.740 7.803 ( 1.204 7.184 -6.816) 9.976 8.343 ( 7.371 -5.411 -14.845) 17.435 8.801 ( 5.367 1.650 -17.995) 18.851 9.501 ( 3.285 -12.200 3.194) 13.032 9.846 ( 1.626 1.741 -5.735) 6.210 10.000 ( 1.991 4.268 0.252) 4.717 10.160 ( 1.155 0.495 -10.141) 10.219 10.396 ( 2.962 -5.671 -6.206) 8.913 10.957 ( -0.098 4.854 3.732) 6.123 11.183 ( -4.428 0.091 14.287) 14.958 11.448 ( -8.860 1.248 9.639) 13.151 13.071 ( 8.317 1.101 0.098) 8.390 13.353 ( -2.905 -0.273 -8.820) 9.290 13.749 ( -0.445 4.161 -1.682) 4.510 13.979 ( -0.229 20.895 23.572) 31.500 15.241 ( 5.547 -5.213 -1.684) 7.797 15.650 ( 11.171 -8.235 -19.520) 23.951 16.043 ( -2.165 -0.236 11.277) 11.485 16.251 ( -4.107 1.561 12.150) 12.921 16.475 ( -0.197 -1.132 8.448) 8.526 16.652 ( -1.826 -3.350 6.610) 7.632 19.945 ( 3.496 5.119 -4.108) 7.436 20.797 ( -1.004 0.025 -2.488) 2.683 22.303 ( 8.141 -3.118 -16.212) 18.408 22.572 ( -0.630 0.058 -10.081) 10.101 26.820 ( -13.038 -2.890 33.935) 36.468 27.470 ( 4.506 20.166 61.589) 64.963 29.837 ( 2.085 -5.810 6.008) 8.614 30.530 ( -6.564 -4.491 5.300) 9.558 31.027 ( 3.069 -3.743 2.798) 5.592 31.087 ( -1.428 0.788 -7.512) 7.687 32.694 ( -10.801 7.067 -19.375) 23.281 33.104 ( 19.105 -0.732 -4.557) 19.654 35.482 ( 7.956 -1.968 2.020) 8.441 35.791 ( 5.120 -6.396 1.099) 8.266 36.477 ( -1.643 0.668 0.956) 2.015 37.868 ( -9.089 -1.580 -31.016) 32.359 ======================= Grid point 185 (91/201) ======================= q-point: (-0.25 -0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -29.826 0.000 3.939) 30.085 1.760 ( -27.673 0.000 11.091) 29.813 2.506 ( -33.172 0.000 9.846) 34.602 2.658 ( 4.898 -0.000 4.534) 6.674 3.665 ( 1.658 -0.000 2.613) 3.095 3.879 ( 1.755 -0.000 1.809) 2.520 3.912 ( 3.654 -0.000 -4.368) 5.695 4.185 ( -7.124 0.000 13.595) 15.348 4.402 ( -22.005 0.000 58.224) 62.244 4.730 ( -13.695 0.000 28.429) 31.555 4.989 ( 5.132 -0.000 8.118) 9.604 5.433 ( -6.672 0.000 -3.099) 7.357 6.131 ( -3.869 0.000 27.395) 27.667 6.155 ( -6.042 0.000 5.339) 8.063 6.614 ( -4.380 0.000 6.554) 7.883 6.781 ( 8.370 -0.000 -7.438) 11.197 7.403 ( 2.766 -0.000 -0.092) 2.768 7.919 ( 1.643 -0.000 -13.589) 13.688 8.248 ( 5.574 -0.000 -14.094) 15.157 8.827 ( 6.118 -0.000 -19.993) 20.909 9.311 ( 0.836 -0.000 2.100) 2.260 9.891 ( -1.145 0.000 -3.609) 3.786 9.965 ( 3.826 -0.000 -1.024) 3.961 10.249 ( -0.590 0.000 -11.658) 11.673 10.297 ( 7.260 -0.000 -6.794) 9.943 11.030 ( 0.876 -0.000 0.386) 0.957 11.188 ( -5.892 0.000 16.489) 17.510 11.454 ( -8.414 0.000 8.792) 12.169 13.079 ( 7.551 -0.000 0.620) 7.576 13.351 ( -1.809 0.000 -7.942) 8.145 13.823 ( 0.463 -0.000 -3.904) 3.932 14.658 ( -1.054 0.000 1.443) 1.787 14.847 ( 16.115 -0.000 43.856) 46.723 15.519 ( 8.755 -0.000 -27.675) 29.026 16.049 ( -1.831 0.000 9.032) 9.216 16.298 ( -1.336 0.000 17.495) 17.546 16.410 ( -0.801 0.000 4.977) 5.041 16.601 ( -3.743 0.000 7.601) 8.473 20.039 ( 5.524 -0.000 -7.132) 9.022 20.805 ( -2.021 0.000 -1.903) 2.776 22.242 ( 7.478 -0.000 -18.942) 20.365 22.570 ( -1.047 0.000 -9.302) 9.361 26.779 ( -11.848 0.000 32.446) 34.542 27.876 ( 23.064 -0.000 76.677) 80.071 29.683 ( -3.325 0.000 1.038) 3.483 30.453 ( -7.411 0.000 4.359) 8.598 30.958 ( -1.358 0.000 7.759) 7.877 31.104 ( -0.961 0.000 -9.650) 9.697 32.818 ( -3.827 0.000 -18.963) 19.345 33.100 ( 17.398 -0.000 -5.298) 18.187 35.499 ( 9.877 -0.000 2.997) 10.322 35.582 ( 6.748 -0.000 -1.178) 6.850 36.489 ( -4.464 0.000 3.101) 5.435 37.854 ( -18.345 0.000 -35.122) 39.624 ======================= Grid point 186 (92/201) ======================= q-point: (-0.12 -0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -40.502 8.810 5.011) 41.751 1.436 ( -22.785 -3.066 8.856) 24.637 2.384 ( -22.270 -21.429 15.640) 34.638 2.766 ( 7.724 -0.348 7.087) 10.488 3.685 ( -2.195 -1.756 -1.732) 3.302 3.855 ( 1.146 2.631 0.015) 2.870 3.975 ( 1.550 -1.877 1.069) 2.659 4.200 ( -5.604 -2.919 18.366) 19.423 4.373 ( -20.001 0.460 56.435) 59.876 4.679 ( -10.299 1.436 24.536) 26.649 5.033 ( 2.648 6.069 8.929) 11.116 5.341 ( -6.337 -1.311 -3.717) 7.463 5.998 ( -9.038 7.253 17.431) 20.932 6.291 ( -6.136 -10.081 8.631) 14.621 6.561 ( -6.576 -0.903 14.562) 16.003 6.834 ( 6.282 1.505 -5.213) 8.301 7.353 ( -2.679 5.553 -5.973) 8.584 7.893 ( 5.696 4.758 -6.624) 9.948 8.302 ( 7.134 -4.644 -14.626) 16.923 8.812 ( 6.120 1.033 -20.140) 21.075 9.389 ( 1.472 -8.936 0.002) 9.056 9.874 ( 2.517 0.986 -2.410) 3.621 10.033 ( 2.867 -2.835 -0.490) 4.061 10.167 ( 0.588 4.681 -9.812) 10.887 10.359 ( 4.113 -2.266 -8.470) 9.685 11.021 ( 0.109 2.543 1.039) 2.749 11.164 ( -8.497 -0.189 15.914) 18.042 11.408 ( -5.084 0.046 11.009) 12.126 13.148 ( 1.189 -0.708 -3.146) 3.437 13.308 ( 2.661 1.089 -5.545) 6.246 13.790 ( 0.325 2.977 -3.631) 4.707 14.431 ( 0.911 25.188 13.770) 28.721 15.292 ( 13.458 -3.606 4.611) 14.676 15.582 ( 10.375 -8.248 -20.856) 24.711 16.072 ( -1.303 0.167 11.758) 11.831 16.317 ( -1.277 5.847 16.810) 17.844 16.495 ( 1.589 -3.397 13.549) 14.058 16.607 ( -1.942 -3.656 7.645) 8.694 20.039 ( 3.093 4.105 -5.207) 7.316 20.771 ( -1.632 0.046 -1.823) 2.447 22.285 ( 8.221 -3.403 -19.061) 21.035 22.519 ( -0.730 -0.211 -9.581) 9.611 26.773 ( -11.943 -1.223 32.002) 34.179 28.374 ( 31.281 37.552 78.932) 92.839 29.809 ( 8.501 -13.011 9.382) 18.155 30.399 ( -6.865 -3.432 3.335) 8.368 31.011 ( 0.862 -5.176 6.335) 8.226 31.059 ( 0.443 0.555 -6.885) 6.921 32.540 ( -15.553 7.605 -24.927) 30.349 33.318 ( 17.075 0.002 -5.435) 17.920 35.594 ( 8.926 1.150 1.812) 9.181 35.773 ( 6.779 -7.998 1.616) 10.609 36.436 ( -5.015 -0.991 0.715) 5.162 37.458 ( -21.933 -8.557 -38.696) 45.295 ======================= Grid point 194 (93/201) ======================= q-point: (-0.12 -0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -32.835 0.000 13.203) 35.390 1.142 ( -27.056 0.000 16.632) 31.759 2.053 ( -13.455 0.000 27.133) 30.286 2.898 ( 9.227 -0.000 5.468) 10.726 3.598 ( -7.762 0.000 -2.450) 8.139 3.825 ( -3.083 0.000 -3.823) 4.912 4.044 ( 5.930 -0.000 4.282) 7.314 4.192 ( -11.455 0.000 33.814) 35.702 4.387 ( -15.471 0.000 53.613) 55.801 4.705 ( -2.820 0.000 19.810) 20.009 5.154 ( 2.761 -0.000 5.478) 6.134 5.236 ( -4.805 0.000 -4.713) 6.730 6.010 ( -21.373 0.000 13.016) 25.025 6.074 ( -4.222 0.000 7.947) 8.999 6.564 ( -3.369 0.000 24.911) 25.138 6.907 ( 5.762 -0.000 -6.220) 8.479 7.279 ( -8.844 0.000 -5.955) 10.662 8.012 ( 7.979 -0.000 -5.206) 9.528 8.285 ( 6.614 -0.000 -15.632) 16.974 8.817 ( 7.149 -0.000 -20.759) 21.955 9.316 ( -0.496 0.000 -2.277) 2.330 9.922 ( 4.937 -0.000 -0.008) 4.937 10.037 ( 2.136 -0.000 -2.766) 3.494 10.193 ( 2.897 -0.000 -5.259) 6.005 10.344 ( 1.785 -0.000 -10.271) 10.425 11.038 ( -0.344 0.000 -0.670) 0.753 11.106 ( -10.268 0.000 16.031) 19.038 11.417 ( -2.217 0.000 13.770) 13.947 13.069 ( -6.454 0.000 -7.555) 9.936 13.387 ( 8.288 -0.000 -2.079) 8.545 13.803 ( 0.841 -0.000 -4.192) 4.275 14.644 ( -0.807 0.000 0.833) 1.160 15.496 ( 12.392 -0.000 -4.608) 13.222 15.528 ( 9.606 -0.000 -25.565) 27.310 16.100 ( -2.373 0.000 11.261) 11.508 16.451 ( -0.069 0.000 7.287) 7.287 16.557 ( -4.376 0.000 6.161) 7.557 16.664 ( 14.190 -0.000 33.973) 36.818 20.066 ( -1.023 0.000 -5.039) 5.142 20.741 ( -1.835 0.000 -1.761) 2.544 22.272 ( 7.418 -0.000 -20.413) 21.719 22.473 ( 0.355 -0.000 -9.291) 9.298 26.748 ( -11.584 0.000 30.917) 33.015 29.680 ( 0.402 -0.000 1.961) 2.002 30.003 ( 89.060 -0.000 78.129) 118.473 30.318 ( -3.694 0.000 4.992) 6.211 30.969 ( -3.130 0.000 7.080) 7.741 31.049 ( 1.619 -0.000 -4.881) 5.142 32.221 ( -28.012 0.000 -32.145) 42.638 33.471 ( 10.822 -0.000 -8.202) 13.579 35.740 ( 5.406 -0.000 -0.109) 5.408 35.772 ( 7.958 -0.000 3.488) 8.689 36.336 ( -7.700 0.000 0.084) 7.701 36.803 ( -36.804 0.000 -33.214) 49.575 ======================= Grid point 195 (94/201) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -5.910 0.000 33.553) 34.069 1.822 ( 26.108 -0.000 25.038) 36.174 2.730 ( 8.518 -0.000 24.223) 25.677 3.013 ( -3.567 0.000 -8.331) 9.062 3.418 ( -4.454 0.000 7.872) 9.044 3.694 ( 0.909 -0.000 -3.248) 3.373 4.273 ( 4.611 -0.000 0.484) 4.636 4.527 ( 5.080 -0.000 3.806) 6.347 4.959 ( -4.289 0.000 -7.585) 8.714 5.045 ( -4.376 0.000 -2.768) 5.178 5.227 ( -15.459 0.000 24.602) 29.056 5.580 ( -14.070 0.000 42.346) 44.622 6.241 ( -13.643 0.000 47.187) 49.120 6.290 ( 1.178 -0.000 10.035) 10.104 6.820 ( 1.994 -0.000 -7.969) 8.215 7.124 ( -4.625 0.000 15.138) 15.828 7.360 ( -8.874 0.000 22.419) 24.111 7.851 ( -3.570 0.000 -7.158) 7.999 7.986 ( 8.650 -0.000 -18.000) 19.971 8.440 ( 11.356 -0.000 -22.415) 25.128 9.127 ( -0.076 0.000 -7.956) 7.956 9.809 ( -1.016 0.000 -13.454) 13.492 9.976 ( 4.729 -0.000 -5.891) 7.555 10.314 ( 1.353 -0.000 2.842) 3.148 10.436 ( 5.563 -0.000 10.145) 11.570 10.828 ( -0.928 0.000 -12.201) 12.236 11.402 ( -4.923 0.000 20.225) 20.816 11.728 ( -5.382 0.000 12.530) 13.637 12.701 ( -5.313 0.000 -5.024) 7.312 13.389 ( 6.375 -0.000 -12.580) 14.103 13.705 ( 2.509 -0.000 -5.471) 6.019 14.586 ( 0.006 -0.000 -5.852) 5.852 15.077 ( 11.160 -0.000 -24.608) 27.021 15.165 ( -4.539 0.000 -11.198) 12.083 16.368 ( -3.764 0.000 13.656) 14.165 16.574 ( -5.757 0.000 4.993) 7.621 16.754 ( -0.315 0.000 13.335) 13.339 17.192 ( -13.540 0.000 12.680) 18.550 19.942 ( -8.559 0.000 5.141) 9.984 20.689 ( -0.096 0.000 0.349) 0.362 21.883 ( 11.316 -0.000 -22.248) 24.961 22.163 ( 4.413 -0.000 -18.179) 18.707 27.352 ( -13.998 0.000 35.696) 38.343 29.646 ( 0.843 -0.000 -4.135) 4.220 29.993 ( -61.579 0.000 1.417) 61.595 30.565 ( 13.579 -0.000 -0.643) 13.594 31.009 ( -4.194 0.000 9.001) 9.930 31.208 ( -2.626 0.000 12.324) 12.600 32.422 ( 27.774 -0.000 -10.865) 29.824 33.127 ( -5.939 0.000 -19.239) 20.135 35.847 ( 1.088 -0.000 1.357) 1.740 35.918 ( -7.361 0.000 3.873) 8.318 36.138 ( -1.272 0.000 -3.404) 3.634 36.492 ( 29.220 -0.000 -5.124) 29.665 ======================= Grid point 196 (95/201) ======================= q-point: ( 0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 2.024 3.835 30.272) 30.581 2.284 ( 20.503 -7.242 17.876) 28.149 2.890 ( -9.422 2.748 2.504) 10.129 2.969 ( 13.112 3.125 8.302) 15.831 3.459 ( 2.549 -5.129 7.799) 9.676 3.750 ( 0.943 -7.560 -1.804) 7.829 4.254 ( 0.802 9.925 1.560) 10.079 4.594 ( 4.828 1.858 6.774) 8.523 4.806 ( -4.413 2.660 -3.479) 6.217 4.970 ( -5.264 1.892 -5.635) 7.940 5.181 ( -10.990 -4.729 19.460) 22.844 5.580 ( -13.850 -0.242 40.102) 42.427 6.287 ( -10.831 1.512 51.135) 52.291 6.383 ( 0.312 -3.816 9.905) 10.619 6.781 ( -0.898 3.051 -5.557) 6.403 7.152 ( -6.540 -4.803 15.308) 17.326 7.328 ( -7.651 0.814 11.913) 14.181 7.723 ( -2.164 5.669 -4.919) 7.811 8.053 ( 7.919 -3.258 -16.997) 19.032 8.483 ( 9.139 0.310 -19.944) 21.940 9.148 ( 0.314 -6.859 -7.039) 9.833 9.733 ( -0.883 0.732 -13.090) 13.140 10.012 ( 5.689 0.819 -5.802) 8.167 10.302 ( -0.585 2.792 0.321) 2.870 10.565 ( 3.606 -3.206 8.766) 10.006 10.756 ( -0.910 1.391 -10.971) 11.096 11.438 ( -2.922 0.448 20.829) 21.038 11.708 ( -7.213 -1.285 11.654) 13.766 12.638 ( -1.751 -0.681 -4.034) 4.450 13.392 ( 3.831 0.975 -13.462) 14.031 13.705 ( 2.563 1.368 -4.765) 5.581 14.480 ( -1.572 11.138 -2.320) 11.485 15.033 ( -2.939 -0.060 -15.662) 15.935 15.159 ( 8.051 -4.151 -18.170) 20.303 16.381 ( -3.918 -0.336 14.059) 14.598 16.528 ( -5.575 -0.890 5.232) 7.697 16.775 ( -1.990 3.934 14.588) 15.239 17.009 ( -17.202 2.492 14.918) 22.905 19.857 ( -6.763 0.340 3.858) 7.793 20.705 ( 1.542 -0.579 0.090) 1.650 21.951 ( 11.156 -0.981 -19.719) 22.677 22.163 ( 5.405 -2.638 -19.338) 20.252 27.344 ( -13.038 -2.150 35.670) 38.039 29.071 ( -45.452 22.519 24.035) 56.131 29.753 ( -4.818 -9.288 -3.910) 11.170 30.737 ( 11.740 -0.541 -2.157) 11.949 30.998 ( -4.312 -0.251 9.762) 10.674 31.219 ( -2.902 0.963 12.553) 12.920 32.572 ( 16.563 7.461 -13.158) 22.431 32.936 ( -8.873 0.909 -19.843) 21.755 35.741 ( -7.465 4.888 2.079) 9.162 35.899 ( -2.530 -2.307 2.869) 4.467 36.181 ( -0.518 -6.452 -5.111) 8.247 36.952 ( 32.047 -9.156 -14.084) 36.183 ======================= Grid point 197 (96/201) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 6.998 -1.057 23.840) 24.868 2.570 ( 2.336 5.429 7.830) 9.811 2.722 ( -10.632 0.791 8.123) 13.403 3.059 ( 15.815 6.322 -0.186) 17.033 3.631 ( 3.795 -3.985 7.910) 9.636 3.864 ( -2.501 -2.866 -0.364) 3.821 4.104 ( 1.514 4.919 3.609) 6.286 4.664 ( 6.491 1.680 2.156) 7.043 4.769 ( -2.879 1.904 -9.723) 10.317 4.885 ( 0.063 -3.608 10.613) 11.209 5.233 ( -6.301 -7.280 15.668) 18.390 5.564 ( -14.018 0.435 34.887) 37.600 6.334 ( -10.945 2.290 44.043) 45.440 6.442 ( -3.655 -0.394 10.796) 11.405 6.664 ( -3.604 6.600 1.316) 7.634 7.201 ( -12.941 -6.685 14.181) 20.329 7.271 ( -2.975 -2.428 7.940) 8.820 7.626 ( 0.918 5.842 -1.143) 6.023 8.125 ( 8.261 -2.358 -16.841) 18.905 8.486 ( 6.219 1.924 -17.611) 18.776 9.255 ( 0.453 -10.976 -5.452) 12.264 9.669 ( 0.605 0.232 -11.404) 11.423 10.037 ( 6.042 3.246 -7.252) 9.982 10.236 ( -1.291 3.893 -1.123) 4.252 10.665 ( -0.916 -1.756 -4.849) 5.238 10.691 ( 1.135 -0.288 1.834) 2.176 11.483 ( -2.048 1.423 20.571) 20.722 11.681 ( -8.656 -2.181 11.981) 14.940 12.653 ( 3.207 -2.560 -3.815) 5.603 13.347 ( 1.021 1.539 -13.738) 13.862 13.702 ( 2.212 0.788 -2.430) 3.379 14.235 ( -5.483 16.531 5.447) 18.248 14.960 ( -1.907 -3.821 -15.977) 16.538 15.256 ( 10.379 -3.590 -19.314) 22.218 16.392 ( -4.545 -0.058 14.625) 15.315 16.505 ( -4.619 -1.554 6.485) 8.112 16.701 ( -9.193 5.012 19.330) 21.984 16.892 ( -7.403 -0.141 10.177) 12.585 19.801 ( -3.722 -0.173 2.552) 4.516 20.738 ( 2.130 -0.484 0.017) 2.184 22.009 ( 10.380 0.907 -18.806) 21.500 22.207 ( 5.813 -4.608 -19.691) 21.042 27.393 ( -11.243 -5.355 37.178) 39.209 28.404 ( -35.006 17.120 37.092) 53.799 29.825 ( 1.777 -5.245 -2.715) 6.168 30.845 ( 8.529 2.049 -4.263) 9.752 30.976 ( -4.658 0.117 5.852) 7.480 31.220 ( -3.040 1.437 14.429) 14.816 32.554 ( -1.552 2.136 -17.027) 17.230 32.775 ( 5.351 3.828 -15.202) 16.564 35.617 ( -4.503 2.712 2.754) 5.935 35.901 ( -2.386 -0.838 2.550) 3.592 36.239 ( -2.498 -7.721 -5.532) 9.821 37.344 ( 23.448 -5.085 -19.779) 31.095 ======================= Grid point 198 (97/201) ======================= q-point: ( 0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 8.917 -6.390 16.478) 19.796 2.357 ( -10.259 13.850 5.915) 18.222 2.522 ( -9.831 13.217 3.454) 16.830 3.297 ( 13.070 -7.556 4.658) 15.799 3.654 ( -2.516 7.481 4.273) 8.975 3.746 ( -2.539 4.079 0.450) 4.826 4.213 ( 1.473 -4.177 4.674) 6.440 4.571 ( -0.700 7.264 -16.668) 18.196 4.809 ( 7.900 -4.498 3.857) 9.875 5.086 ( 1.263 -8.059 22.514) 23.946 5.342 ( -2.969 -7.234 11.376) 13.804 5.472 ( -15.608 4.755 24.356) 29.316 6.266 ( -15.202 1.976 25.307) 29.588 6.423 ( -5.301 2.800 19.334) 20.242 6.582 ( -0.289 3.352 5.822) 6.725 7.179 ( -9.274 -3.298 20.542) 22.778 7.352 ( -8.583 -9.168 8.161) 14.977 7.562 ( 4.230 6.632 0.572) 7.886 8.181 ( 8.425 0.136 -15.642) 17.768 8.448 ( 4.336 1.966 -16.968) 17.624 9.414 ( 0.676 -13.160 -3.960) 13.759 9.653 ( 2.830 -1.129 -9.150) 9.644 9.986 ( 3.024 7.873 -7.828) 11.507 10.176 ( 1.719 3.630 -3.227) 5.152 10.599 ( -0.783 2.908 -5.377) 6.163 10.761 ( -0.461 -4.330 2.101) 4.835 11.518 ( -2.478 1.614 19.313) 19.538 11.652 ( -8.528 -1.959 13.696) 16.253 12.755 ( 7.550 -4.344 -4.601) 9.851 13.263 ( -1.641 1.386 -13.409) 13.580 13.734 ( 1.538 -2.636 1.820) 3.553 13.969 ( -6.040 13.524 7.707) 16.697 14.946 ( 0.933 -4.218 -16.042) 16.613 15.348 ( 10.653 -1.940 -20.402) 23.097 16.392 ( -4.875 0.078 15.083) 15.852 16.493 ( -5.375 0.206 10.553) 11.845 16.632 ( -7.420 -0.595 16.995) 18.554 16.862 ( -3.514 0.778 8.036) 8.805 19.791 ( -1.112 -1.439 2.365) 2.984 20.767 ( 1.845 0.103 0.143) 1.853 22.033 ( 10.036 2.341 -20.503) 22.947 22.257 ( 5.117 -3.749 -18.405) 19.468 27.538 ( -8.485 -10.207 40.698) 42.808 27.991 ( -25.040 11.271 40.447) 48.887 29.918 ( 5.382 -2.318 -0.255) 5.865 30.816 ( -1.369 6.462 -4.207) 7.832 30.973 ( 2.103 -1.656 -1.904) 3.285 31.221 ( -3.929 1.568 16.052) 16.600 32.359 ( -13.427 -2.291 -19.839) 24.065 32.831 ( 16.777 3.148 -11.519) 20.593 35.580 ( 1.328 1.757 4.202) 4.744 35.887 ( -2.571 -0.465 1.929) 3.248 36.284 ( -5.660 -9.091 -5.316) 11.956 37.526 ( 15.953 2.063 -21.807) 27.098 ======================= Grid point 199 (98/201) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -11.525 21.759 0.594) 24.630 2.081 ( -6.454 8.153 9.261) 13.924 2.392 ( 1.698 -7.408 15.605) 17.358 3.489 ( -1.266 10.111 2.404) 10.470 3.538 ( 3.487 -3.892 -0.180) 5.229 3.718 ( -1.652 -4.226 3.968) 6.028 4.204 ( -3.483 3.143 0.515) 4.719 4.413 ( 3.365 9.187 -13.126) 16.371 4.968 ( 0.416 1.239 5.706) 5.854 5.265 ( -8.244 -4.202 26.432) 28.005 5.302 ( -7.470 -1.769 15.502) 17.298 5.417 ( -5.391 -2.622 14.113) 15.334 6.238 ( -8.183 -4.969 25.250) 27.004 6.384 ( -4.700 2.337 11.157) 12.331 6.589 ( 0.598 0.402 6.646) 6.685 7.230 ( -6.389 -3.376 24.541) 25.583 7.319 ( -12.221 -2.026 9.842) 15.821 7.583 ( 5.285 1.026 -0.179) 5.387 8.196 ( 8.309 3.933 -14.671) 17.313 8.412 ( 3.855 -0.023 -17.284) 17.709 9.594 ( 0.444 -12.890 -4.583) 13.687 9.693 ( 4.449 -2.710 -7.162) 8.857 9.853 ( 2.755 10.535 -5.900) 12.385 10.128 ( 1.994 4.245 -5.951) 7.577 10.524 ( -0.156 4.905 -0.855) 4.981 10.819 ( -0.350 -4.774 -2.031) 5.200 11.525 ( -6.790 0.193 16.089) 17.464 11.649 ( -3.950 0.006 17.350) 17.794 12.912 ( 10.052 -4.536 -6.495) 12.799 13.159 ( -3.798 0.343 -12.216) 12.797 13.776 ( -3.330 7.466 4.047) 9.122 13.850 ( -0.219 -8.960 7.336) 11.583 14.958 ( 3.840 -2.896 -16.311) 17.005 15.401 ( 9.286 0.244 -21.110) 23.064 16.400 ( -4.056 0.278 16.868) 17.351 16.454 ( -6.854 0.305 12.693) 14.428 16.665 ( -3.784 -3.566 14.234) 15.154 16.844 ( -2.457 0.930 7.866) 8.293 19.832 ( 0.696 -3.056 2.749) 4.169 20.780 ( 0.866 0.787 0.525) 1.282 22.025 ( 9.670 3.499 -23.338) 25.503 22.281 ( 4.398 -1.683 -16.992) 17.632 27.697 ( -17.763 3.840 42.341) 46.077 27.895 ( -5.576 -15.114 42.847) 45.775 30.032 ( 9.226 -0.208 3.125) 9.743 30.645 ( -4.571 7.159 -8.841) 12.260 31.027 ( 3.530 -1.255 -1.277) 3.958 31.208 ( -4.530 1.658 14.581) 15.359 32.139 ( -14.367 -3.846 -19.852) 24.806 32.978 ( 16.971 0.505 -11.455) 20.481 35.628 ( 7.099 2.515 5.092) 9.091 35.872 ( -2.888 -1.558 1.920) 3.802 36.300 ( -9.050 -9.673 -5.437) 14.319 37.516 ( 10.605 9.857 -23.175) 27.326 ======================= Grid point 200 (99/201) ======================= q-point: (-0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -13.659 19.085 8.986) 25.131 1.843 ( -11.048 11.843 12.974) 20.751 2.663 ( 4.908 -9.547 14.143) 17.756 3.308 ( -3.806 12.795 4.765) 14.174 3.518 ( -3.047 1.136 -6.604) 7.362 3.859 ( 1.756 -7.913 4.723) 9.381 4.109 ( -2.449 4.281 0.005) 4.932 4.277 ( 3.221 7.927 -8.175) 11.834 4.836 ( -5.546 5.049 2.907) 8.043 5.293 ( -9.617 -1.038 12.665) 15.936 5.364 ( -6.884 -5.052 18.761) 20.613 5.468 ( -7.942 -3.153 34.100) 35.155 6.295 ( -12.783 -0.703 30.622) 33.191 6.389 ( 1.474 -3.360 -0.708) 3.736 6.641 ( 2.771 -1.732 5.494) 6.392 7.230 ( -6.598 1.092 13.126) 14.731 7.317 ( -7.055 -4.191 22.922) 24.347 7.623 ( 2.581 -0.576 -3.171) 4.129 8.166 ( 8.126 5.723 -15.536) 18.443 8.397 ( 4.861 -0.176 -17.615) 18.274 9.614 ( -1.349 6.510 -12.077) 13.786 9.770 ( 4.888 -3.159 -4.156) 7.151 9.839 ( 5.432 -4.252 -0.836) 6.949 10.064 ( 0.658 2.481 -6.447) 6.939 10.451 ( 0.684 6.500 3.096) 7.232 10.868 ( 0.474 -4.186 -5.910) 7.258 11.483 ( -9.507 -0.239 15.352) 18.059 11.687 ( -1.230 1.304 18.161) 18.249 13.015 ( -0.261 0.009 -11.202) 11.205 13.112 ( 5.690 -4.167 -7.785) 10.505 13.683 ( -1.712 2.216 0.252) 2.812 14.065 ( -0.286 -16.178 8.364) 18.214 14.985 ( 7.056 -1.322 -17.906) 19.292 15.397 ( 6.602 2.024 -20.737) 21.856 16.397 ( -4.717 2.413 16.132) 16.980 16.464 ( -3.924 -3.925 14.395) 15.428 16.714 ( -4.176 -1.650 9.964) 10.929 16.869 ( -0.450 -2.488 12.853) 13.099 19.910 ( 1.030 -4.160 3.156) 5.323 20.772 ( -0.545 1.158 0.996) 1.621 21.983 ( 9.246 4.647 -25.746) 27.748 22.274 ( 4.123 0.255 -16.439) 16.950 27.564 ( -16.879 5.203 39.703) 43.455 28.406 ( 1.009 -31.335 44.525) 54.455 30.202 ( 13.916 -0.375 7.261) 15.701 30.453 ( -3.491 5.752 -9.893) 11.965 31.073 ( 0.678 -0.049 3.721) 3.782 31.197 ( -1.036 0.890 8.793) 8.899 31.924 ( -14.495 -3.443 -19.664) 24.670 33.133 ( 13.810 -1.043 -12.636) 18.748 35.712 ( 10.113 4.770 3.831) 11.820 35.882 ( -2.812 -3.662 3.490) 5.788 36.277 ( -11.163 -9.135 -6.200) 15.700 37.318 ( 5.978 19.455 -23.877) 31.374 ======================= Grid point 201 (100/201) ======================= q-point: (-0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -7.287 7.688 21.819) 24.254 1.631 ( -8.739 9.745 22.903) 26.379 2.776 ( -3.723 6.450 12.357) 14.427 3.143 ( 3.678 10.541 9.677) 14.775 3.431 ( -6.844 -3.816 -8.394) 11.483 3.906 ( -0.716 6.693 -0.216) 6.735 4.073 ( 0.347 -3.550 4.031) 5.382 4.273 ( 7.084 -1.875 -4.697) 8.704 4.810 ( -1.260 -5.637 1.132) 5.886 5.204 ( -7.219 1.087 3.120) 7.939 5.384 ( -13.452 -1.858 28.436) 31.512 5.545 ( -10.540 -1.882 38.652) 40.108 6.254 ( -12.501 0.280 28.868) 31.460 6.395 ( -4.131 1.492 4.677) 6.416 6.742 ( 3.493 -2.643 2.674) 5.132 7.200 ( -4.590 1.677 11.177) 12.199 7.370 ( -7.467 -0.684 27.441) 28.447 7.669 ( 3.134 -5.995 -9.102) 11.341 8.116 ( 6.905 5.683 -15.797) 18.152 8.389 ( 7.675 1.234 -19.836) 21.305 9.414 ( -0.759 11.029 -11.356) 15.849 9.859 ( 4.777 -2.574 -3.930) 6.700 9.915 ( 1.937 -0.237 -8.458) 8.680 10.086 ( 3.143 -5.332 0.258) 6.194 10.393 ( 1.919 6.719 6.414) 9.485 10.892 ( 0.455 -2.807 -9.268) 9.694 11.431 ( -9.192 0.018 16.748) 19.105 11.723 ( -1.815 1.569 16.578) 16.751 12.917 ( -5.961 -0.203 -9.073) 10.857 13.239 ( 9.578 -2.679 -9.512) 13.762 13.665 ( 0.398 -1.259 -3.136) 3.403 14.333 ( -0.969 -17.561 4.397) 18.129 15.020 ( 9.844 0.115 -21.317) 23.481 15.343 ( 3.221 2.388 -18.591) 19.019 16.374 ( -4.434 1.561 14.415) 15.162 16.558 ( -1.295 -4.668 14.664) 15.444 16.691 ( -5.283 0.292 6.724) 8.557 17.012 ( 0.644 -7.557 16.670) 18.314 19.986 ( -1.049 -3.905 3.621) 5.428 20.744 ( -1.921 1.125 1.157) 2.509 21.919 ( 9.336 5.167 -26.462) 28.533 22.242 ( 3.944 1.447 -16.786) 17.304 27.463 ( -15.405 3.403 38.037) 41.179 29.091 ( -0.417 -37.549 28.980) 47.434 30.300 ( 1.208 1.056 -11.382) 11.494 30.525 ( 12.082 -8.362 16.844) 22.352 31.066 ( -4.201 0.959 8.475) 9.508 31.250 ( 5.531 0.056 1.018) 5.624 31.711 ( -7.504 -0.108 -14.548) 16.370 33.234 ( 7.954 -1.278 -14.772) 16.826 35.769 ( 7.149 4.232 1.425) 8.429 35.926 ( -1.383 -2.766 5.155) 6.011 36.230 ( -8.707 -7.092 -6.877) 13.169 36.921 ( 1.878 29.880 -19.715) 35.847 ======================= Grid point 202 (101/201) ======================= q-point: (-0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 1.256 -5.716 28.570) 29.163 1.566 ( 2.938 9.702 32.535) 34.078 2.647 ( 0.152 10.143 18.584) 21.172 3.094 ( 1.209 6.266 -1.505) 6.556 3.419 ( -6.270 -6.744 2.926) 9.663 3.766 ( -1.111 7.616 -2.599) 8.124 4.178 ( 3.672 -4.040 2.267) 5.912 4.412 ( 7.843 -3.549 -0.735) 8.640 4.918 ( -0.941 -9.631 -2.387) 9.967 5.124 ( -4.393 0.741 -0.849) 4.535 5.326 ( -15.763 0.384 28.449) 32.526 5.577 ( -13.231 -0.385 41.247) 43.319 6.230 ( -12.838 -0.866 35.089) 37.374 6.312 ( -3.745 5.949 10.460) 12.603 6.806 ( 2.711 -1.468 -4.350) 5.332 7.149 ( -5.433 2.734 13.142) 14.481 7.376 ( -9.399 0.894 28.456) 29.981 7.792 ( 3.559 -9.840 -11.474) 15.529 8.041 ( 4.927 6.283 -15.321) 17.276 8.399 ( 10.871 1.188 -22.543) 25.056 9.223 ( -0.586 7.565 -9.473) 12.137 9.869 ( -0.067 0.102 -11.301) 11.301 9.934 ( 4.397 -1.589 -6.332) 7.871 10.225 ( 4.049 -4.801 3.819) 7.350 10.375 ( 3.768 5.265 8.828) 10.948 10.878 ( -0.326 -1.426 -11.536) 11.629 11.398 ( -7.394 0.070 18.672) 20.083 11.736 ( -3.471 1.078 14.384) 14.836 12.804 ( -6.634 -0.153 -6.741) 9.458 13.337 ( 8.375 -1.135 -11.225) 14.051 13.686 ( 1.900 -1.635 -4.994) 5.588 14.532 ( -1.012 -10.816 -1.734) 11.001 15.047 ( 10.983 0.939 -24.706) 27.053 15.263 ( -0.392 1.379 -14.803) 14.872 16.364 ( -3.964 0.750 13.746) 14.326 16.625 ( -4.385 0.248 5.731) 7.220 16.682 ( -1.586 -2.792 13.496) 13.873 17.186 ( -3.412 -7.749 13.794) 16.186 20.005 ( -5.619 -1.962 4.553) 7.494 20.707 ( -1.984 0.796 0.819) 2.289 21.869 ( 10.278 3.522 -24.948) 27.211 22.198 ( 3.875 1.424 -17.425) 17.907 27.394 ( -14.620 1.726 36.633) 39.481 29.537 ( -4.295 -19.312 4.153) 20.215 30.331 ( -0.245 -8.915 -5.875) 10.679 30.682 ( -24.077 -5.905 -1.356) 24.828 31.031 ( -4.354 0.630 8.216) 9.320 31.216 ( -4.903 2.484 4.585) 7.158 31.920 ( 36.359 -7.711 0.065) 37.168 33.236 ( 0.614 -0.727 -17.253) 17.279 35.802 ( 2.964 0.336 1.119) 3.186 35.940 ( -2.507 -0.600 3.851) 4.634 36.225 ( -0.384 -3.081 -5.056) 5.933 36.452 ( 5.346 28.231 -7.394) 29.669 ======================= Grid point 204 (102/201) ======================= q-point: ( 0.12 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 4.923 -0.000 30.189) 30.587 2.507 ( 13.241 -0.000 12.242) 18.033 2.854 ( -0.743 0.000 -3.391) 3.471 3.296 ( 16.472 -0.000 19.905) 25.836 3.427 ( 0.207 -0.000 0.697) 0.727 3.706 ( 2.547 -0.000 -2.483) 3.557 4.354 ( 0.610 -0.000 -0.089) 0.617 4.669 ( -1.424 0.000 -3.811) 4.069 4.729 ( -4.151 0.000 11.584) 12.306 4.916 ( -1.184 0.000 -5.824) 5.943 5.091 ( -10.048 0.000 22.285) 24.445 5.565 ( -13.390 0.000 36.178) 38.577 6.393 ( -10.565 0.000 52.994) 54.037 6.398 ( -0.355 0.000 7.985) 7.993 6.774 ( 0.103 -0.000 -7.040) 7.041 7.055 ( -13.702 0.000 20.370) 24.549 7.279 ( -7.365 0.000 4.713) 8.744 7.730 ( 1.114 -0.000 -3.138) 3.330 8.070 ( 9.402 -0.000 -18.447) 20.705 8.512 ( 7.612 -0.000 -18.930) 20.403 9.080 ( 0.814 -0.000 -5.148) 5.212 9.684 ( 0.883 -0.000 -12.546) 12.578 10.069 ( 6.285 -0.000 -5.387) 8.278 10.272 ( -4.339 0.000 -4.936) 6.572 10.615 ( 1.551 -0.000 7.281) 7.444 10.722 ( 0.132 -0.000 -7.864) 7.865 11.502 ( -1.885 0.000 20.332) 20.419 11.651 ( -7.702 0.000 12.214) 14.440 12.617 ( 1.769 -0.000 -2.699) 3.227 13.372 ( 1.102 -0.000 -14.226) 14.269 13.726 ( 2.570 -0.000 -5.448) 6.024 14.544 ( 1.390 -0.000 -7.599) 7.725 14.908 ( -11.026 0.000 0.517) 11.038 15.150 ( 10.443 -0.000 -24.061) 26.229 16.389 ( -3.860 0.000 14.128) 14.646 16.475 ( -4.999 0.000 5.339) 7.314 16.830 ( -21.511 0.000 19.133) 28.789 16.846 ( -1.332 0.000 12.450) 12.521 19.800 ( -3.941 0.000 1.277) 4.142 20.732 ( 2.936 -0.000 0.467) 2.973 22.017 ( 11.643 -0.000 -17.240) 20.804 22.132 ( 5.939 -0.000 -19.710) 20.585 27.318 ( -11.938 0.000 35.405) 37.364 28.707 ( -46.640 0.000 31.398) 56.224 29.713 ( 6.420 -0.000 -0.617) 6.449 30.866 ( 10.417 -0.000 -6.536) 12.298 30.988 ( -4.603 0.000 11.929) 12.786 31.244 ( -3.604 0.000 15.129) 15.553 32.578 ( -10.245 0.000 -19.872) 22.357 32.862 ( 8.464 -0.000 -15.754) 17.884 35.693 ( -8.844 0.000 2.887) 9.304 35.818 ( -4.123 0.000 1.312) 4.326 36.107 ( -0.676 0.000 -5.249) 5.293 37.279 ( 33.586 -0.000 -16.243) 37.308 ======================= Grid point 205 (103/201) ======================= q-point: ( 0.25 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 7.831 3.091 26.415) 27.724 2.695 ( 0.155 0.485 9.977) 9.991 2.776 ( 6.065 10.711 3.477) 12.790 3.337 ( 6.024 9.335 -3.104) 11.535 3.620 ( 4.271 -8.883 11.448) 15.107 3.799 ( 4.263 -4.505 -1.906) 6.489 4.227 ( -3.703 10.469 1.416) 11.194 4.631 ( -2.699 -4.699 -11.350) 12.577 4.789 ( 1.358 1.203 7.463) 7.680 4.922 ( 4.730 -1.977 7.227) 8.860 5.133 ( -6.456 -5.655 25.303) 26.719 5.541 ( -12.197 0.603 29.516) 31.942 6.358 ( -10.462 3.911 17.588) 20.835 6.468 ( -9.049 -1.218 30.380) 31.722 6.713 ( -1.951 4.502 1.265) 5.067 7.016 ( -11.399 -5.582 19.799) 23.518 7.202 ( -8.013 -1.480 6.583) 10.476 7.734 ( 5.030 4.280 -0.993) 6.679 8.127 ( 9.076 -2.417 -18.894) 21.099 8.508 ( 5.042 1.337 -16.930) 17.715 9.119 ( 0.980 -6.173 -3.877) 7.355 9.651 ( 2.868 0.681 -11.188) 11.570 10.124 ( 7.085 1.577 -7.654) 10.548 10.183 ( -5.869 -1.403 -5.702) 8.302 10.640 ( -1.128 0.293 1.137) 1.628 10.700 ( 0.792 0.061 -2.119) 2.263 11.534 ( -5.840 -0.292 14.493) 15.628 11.637 ( -3.502 0.456 18.678) 19.009 12.666 ( 5.777 -1.680 -2.642) 6.571 13.301 ( -1.501 0.932 -14.360) 14.469 13.728 ( 2.361 0.781 -4.641) 5.266 14.414 ( -3.562 14.392 2.164) 14.983 14.816 ( -5.005 -4.344 -5.363) 8.525 15.223 ( 8.863 -5.567 -21.453) 23.871 16.394 ( -4.485 0.438 13.550) 14.279 16.457 ( -3.714 -1.839 7.214) 8.320 16.649 ( -16.876 0.739 19.150) 25.536 16.873 ( -2.630 0.178 11.175) 11.482 19.768 ( -1.493 -0.288 -0.565) 1.622 20.776 ( 3.443 0.299 0.777) 3.542 22.066 ( 7.746 0.225 -19.052) 20.568 22.166 ( 9.328 -1.985 -17.276) 19.733 27.349 ( -10.362 -3.277 36.590) 38.170 28.278 ( -34.390 6.830 38.160) 51.822 29.835 ( 8.407 -2.472 1.239) 8.850 30.938 ( 1.998 -0.655 -2.918) 3.597 30.959 ( -0.610 3.003 2.128) 3.731 31.256 ( -4.375 0.758 17.126) 17.693 32.318 ( -15.357 -0.658 -19.746) 25.023 32.918 ( 12.419 2.212 -14.563) 19.267 35.596 ( -4.864 0.964 3.862) 6.285 35.809 ( -5.998 -5.588 1.384) 8.314 36.083 ( -2.505 -2.522 -6.475) 7.387 37.592 ( 27.445 1.679 -18.759) 33.286 ======================= Grid point 206 (104/201) ======================= q-point: ( 0.38 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 9.384 0.565 21.224) 23.213 2.520 ( -5.008 15.117 10.388) 19.014 2.711 ( 3.648 19.794 -1.181) 20.162 3.341 ( 3.247 -4.566 2.117) 5.989 3.728 ( -2.982 4.179 1.697) 5.407 3.799 ( 1.077 5.203 2.407) 5.833 4.159 ( -2.457 -3.594 2.660) 5.102 4.587 ( 2.659 1.734 -13.707) 14.070 4.845 ( 2.666 -3.881 5.523) 7.258 5.122 ( 5.922 -5.798 15.864) 17.898 5.257 ( -5.163 -5.476 24.031) 25.182 5.460 ( -11.034 4.581 17.363) 21.076 6.203 ( -13.880 3.131 18.619) 23.433 6.448 ( -10.145 0.693 19.080) 21.620 6.645 ( -2.752 3.572 9.998) 10.968 7.069 ( -7.833 -6.707 19.457) 22.021 7.188 ( -7.304 -4.931 7.425) 11.523 7.727 ( 5.346 6.696 3.904) 9.416 8.202 ( 8.680 -2.755 -17.548) 19.770 8.460 ( 2.988 2.776 -15.392) 15.924 9.236 ( 0.990 -10.492 -3.393) 11.072 9.652 ( 4.712 -0.307 -9.559) 10.662 10.066 ( -0.537 3.742 -9.153) 9.903 10.182 ( 2.007 -0.859 -5.590) 6.001 10.604 ( -0.900 1.422 -2.486) 3.002 10.715 ( -0.500 -1.755 0.848) 2.013 11.506 ( -8.288 -1.128 12.433) 14.985 11.685 ( -0.587 1.919 21.565) 21.658 12.786 ( 8.884 -3.652 -3.918) 10.373 13.190 ( -3.587 1.448 -13.837) 14.368 13.735 ( 1.827 -0.383 -2.038) 2.764 14.140 ( -6.710 16.708 10.062) 20.626 14.834 ( 1.949 -5.523 -12.760) 14.040 15.325 ( 7.589 -5.713 -20.041) 22.178 16.384 ( -4.739 -0.006 12.447) 13.319 16.469 ( -6.119 -0.775 12.934) 14.330 16.563 ( -8.990 -3.041 15.040) 17.783 16.872 ( -3.117 1.022 9.776) 10.311 19.768 ( 0.035 -1.416 -0.618) 1.546 20.811 ( 2.979 1.173 0.878) 3.320 22.065 ( 5.836 -0.420 -21.808) 22.580 22.243 ( 9.800 -0.701 -15.357) 18.231 27.468 ( -8.541 -8.230 39.447) 41.191 27.969 ( -25.074 7.073 40.583) 48.226 29.994 ( 10.094 -1.912 3.023) 10.710 30.825 ( -8.104 4.922 -0.429) 9.491 30.997 ( 5.881 -0.449 -6.769) 8.978 31.253 ( -5.342 1.273 16.746) 17.623 32.063 ( -14.104 -1.670 -18.108) 23.014 32.999 ( 13.184 0.862 -14.147) 19.357 35.591 ( -1.820 -3.246 5.360) 6.525 35.819 ( -5.215 -5.209 1.251) 7.476 36.055 ( -4.397 -3.736 -6.902) 8.996 37.762 ( 21.235 6.687 -20.135) 30.017 ======================= Grid point 207 (105/201) ======================= q-point: (-0.50 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -0.195 14.336 2.053) 14.484 2.310 ( 1.905 24.721 9.788) 26.657 2.442 ( 2.997 3.381 14.777) 15.452 3.473 ( -2.888 -2.703 1.093) 4.103 3.596 ( -1.655 -0.953 2.580) 3.210 3.725 ( -0.273 8.492 0.783) 8.533 4.143 ( -4.794 -1.575 -4.564) 6.804 4.542 ( 4.613 6.534 -7.788) 11.164 5.003 ( 1.148 -5.414 11.856) 13.084 5.200 ( -13.389 6.735 15.052) 21.242 5.303 ( 2.699 -2.683 5.423) 6.625 5.398 ( -6.574 -1.343 28.313) 29.097 6.166 ( -7.627 -4.796 23.039) 24.738 6.383 ( -7.782 0.702 12.601) 14.827 6.630 ( -2.437 0.809 12.327) 12.592 7.153 ( -7.667 -6.949 18.996) 21.631 7.184 ( -5.269 -3.479 1.936) 6.604 7.722 ( 3.618 6.340 9.238) 11.774 8.270 ( 8.495 -0.923 -15.585) 17.774 8.386 ( 1.598 2.281 -14.855) 15.113 9.398 ( 1.082 -12.416 -4.811) 13.359 9.698 ( 5.870 -1.753 -7.442) 9.639 9.970 ( 0.808 5.259 -6.437) 8.351 10.154 ( -0.050 2.428 -8.327) 8.673 10.573 ( 0.456 1.474 -0.886) 1.779 10.744 ( -0.478 -3.166 -0.515) 3.243 11.467 ( -8.478 -0.877 13.210) 15.721 11.743 ( -0.069 2.401 21.318) 21.452 12.950 ( 10.476 -4.800 -6.239) 13.104 13.058 ( -4.928 1.285 -12.652) 13.638 13.780 ( 0.479 -4.213 2.101) 4.732 13.892 ( -5.143 12.778 9.055) 16.484 14.898 ( 5.802 -4.755 -15.224) 16.972 15.390 ( 5.981 -3.118 -20.632) 21.706 16.383 ( -5.488 -1.455 12.803) 14.006 16.439 ( -7.128 0.192 16.918) 18.360 16.612 ( -3.456 -4.895 12.007) 13.419 16.854 ( -3.319 0.861 8.888) 9.526 19.804 ( 0.696 -3.025 0.327) 3.121 20.822 ( 1.646 2.136 0.866) 2.833 22.043 ( 5.214 -0.229 -23.671) 24.239 22.296 ( 9.010 1.185 -15.368) 17.854 27.673 ( -12.094 -6.268 42.776) 44.893 27.804 ( -14.493 -3.470 40.653) 43.298 30.173 ( 11.732 -1.428 5.062) 12.857 30.621 ( -8.636 5.877 -6.577) 12.343 31.051 ( 3.768 -1.166 -2.930) 4.913 31.230 ( -4.554 1.334 12.470) 13.343 31.855 ( -10.658 -1.644 -16.018) 19.310 33.102 ( 11.784 -0.989 -14.522) 18.728 35.667 ( -2.676 -7.193 5.480) 9.431 35.841 ( -0.808 -3.268 1.299) 3.608 36.018 ( -5.563 -3.964 -5.992) 9.086 37.778 ( 16.371 12.595 -21.528) 29.834 ======================= Grid point 208 (106/201) ======================= q-point: (-0.38 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -1.158 28.256 -2.954) 28.433 2.066 ( 1.814 20.476 19.022) 28.007 2.662 ( 4.007 -8.092 16.317) 18.649 3.339 ( -6.552 3.368 -4.895) 8.845 3.577 ( -2.742 10.031 1.382) 10.490 3.750 ( 1.223 -10.890 4.006) 11.668 4.089 ( -1.600 -0.540 -5.783) 6.025 4.435 ( 3.012 10.982 -4.867) 12.384 4.899 ( -4.407 11.019 4.347) 12.639 5.170 ( -11.987 -5.171 18.606) 22.729 5.336 ( -0.741 -0.747 5.535) 5.634 5.484 ( -7.314 -1.776 37.143) 37.898 6.229 ( -14.827 -2.573 37.227) 40.153 6.376 ( 2.586 -2.114 -3.655) 4.951 6.667 ( -1.570 -2.075 13.143) 13.398 7.166 ( -4.874 -2.988 6.607) 8.737 7.252 ( -2.386 -6.932 7.065) 10.181 7.704 ( -0.089 6.189 11.409) 12.980 8.275 ( 6.169 5.487 -15.368) 17.445 8.354 ( 3.522 -3.403 -14.508) 15.312 9.530 ( 0.670 -6.985 -10.089) 12.289 9.788 ( 6.459 -2.996 -4.031) 8.182 9.898 ( 2.030 3.442 -2.891) 4.932 10.059 ( -1.836 2.822 -9.223) 9.818 10.559 ( 1.995 3.554 2.509) 4.786 10.785 ( 0.009 -4.085 -4.003) 5.720 11.427 ( -8.150 -0.302 14.793) 16.892 11.788 ( -1.108 2.849 19.635) 19.871 12.926 ( -5.081 0.996 -11.151) 12.294 13.125 ( 10.357 -5.028 -8.592) 14.365 13.725 ( -3.355 6.803 5.714) 9.497 13.901 ( -0.342 -10.146 4.674) 11.176 14.982 ( 8.866 -3.182 -16.761) 19.227 15.384 ( 3.583 -0.166 -21.585) 21.881 16.385 ( -6.890 -1.831 14.007) 15.717 16.451 ( -3.444 -1.382 17.651) 18.037 16.673 ( -4.021 -2.622 9.685) 10.810 16.861 ( -2.419 -2.359 10.436) 10.970 19.866 ( -0.050 -4.140 1.565) 4.427 20.801 ( -0.074 2.721 0.764) 2.827 22.005 ( 5.407 0.597 -24.676) 25.269 22.309 ( 8.060 2.916 -16.490) 18.584 27.593 ( -16.481 5.429 39.998) 43.600 28.133 ( -7.979 -26.246 43.467) 51.399 30.359 ( 6.687 0.703 -3.479) 7.571 30.425 ( -2.809 1.201 1.773) 3.532 31.084 ( -1.754 -0.120 5.176) 5.466 31.225 ( 0.311 -0.687 1.502) 1.680 31.710 ( -3.208 -0.056 -12.222) 12.636 33.187 ( 7.685 -1.879 -15.797) 17.668 35.737 ( -6.652 -8.171 3.020) 10.961 35.924 ( 5.813 -2.924 2.207) 6.871 35.973 ( -5.354 -2.685 -3.918) 7.157 37.641 ( 12.377 19.629 -23.114) 32.753 ======================= Grid point 209 (107/201) ======================= q-point: (-0.25 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.582 19.222 7.783) 20.746 1.954 ( 9.643 17.956 26.180) 33.179 2.810 ( -3.262 -2.591 10.342) 11.149 3.240 ( -6.438 -3.226 -6.468) 9.679 3.400 ( 0.814 12.343 5.855) 13.685 3.919 ( -0.332 -10.057 3.141) 10.541 4.041 ( -0.846 4.926 -3.058) 5.860 4.345 ( 5.964 3.692 -2.483) 7.441 4.788 ( 0.664 3.005 0.812) 3.183 5.106 ( -11.343 -1.516 8.100) 14.020 5.351 ( -5.779 0.849 16.272) 17.289 5.555 ( -10.472 -1.016 39.690) 41.061 6.208 ( -15.881 -0.600 41.024) 43.994 6.412 ( 2.037 0.464 -1.526) 2.587 6.736 ( -3.069 -3.478 10.590) 11.562 7.191 ( -1.199 -1.622 5.386) 5.752 7.355 ( -0.895 -5.943 5.737) 8.309 7.647 ( -3.160 3.936 9.210) 10.502 8.193 ( 3.428 4.790 -15.349) 16.440 8.399 ( 6.969 -1.908 -16.296) 17.826 9.486 ( 0.383 6.432 -12.395) 13.969 9.873 ( 4.218 -1.591 -5.522) 7.128 9.887 ( -0.498 0.577 -7.904) 7.941 10.042 ( 2.776 -6.183 0.322) 6.785 10.546 ( 3.170 5.455 6.457) 9.028 10.811 ( -0.050 -3.160 -8.643) 9.202 11.398 ( -7.197 -0.086 17.127) 18.578 11.796 ( -3.262 3.074 16.711) 17.301 12.808 ( -4.888 0.670 -8.888) 10.165 13.271 ( 9.044 -3.604 -10.816) 14.553 13.658 ( -0.421 1.479 1.069) 1.873 14.094 ( -2.125 -15.775 5.451) 16.825 15.064 ( 11.052 -0.778 -19.072) 22.056 15.310 ( 0.785 1.478 -20.968) 21.035 16.382 ( -5.583 -0.385 14.715) 15.743 16.535 ( -2.262 -4.705 17.544) 18.304 16.656 ( -5.374 0.445 6.602) 8.524 16.949 ( -2.883 -6.738 12.733) 14.691 19.917 ( -2.817 -3.794 2.974) 5.584 20.756 ( -1.141 2.634 0.480) 2.910 21.961 ( 6.681 1.556 -24.428) 25.373 22.281 ( 6.927 4.138 -17.935) 19.667 27.487 ( -14.894 4.763 38.360) 41.425 28.611 ( -14.265 -34.851 37.796) 53.353 30.220 ( -7.351 1.128 -10.551) 12.908 30.579 ( 5.123 -2.546 7.744) 9.628 31.059 ( -4.474 1.190 8.722) 9.874 31.229 ( -2.793 -1.243 -3.890) 4.948 31.761 ( 17.554 -2.855 -4.831) 18.429 33.201 ( 1.292 -1.613 -17.698) 17.819 35.762 ( -6.459 -6.321 1.358) 9.139 35.927 ( -3.459 -0.471 -0.516) 3.529 36.070 ( 7.540 -4.111 0.679) 8.614 37.349 ( 9.915 27.498 -23.056) 37.229 ======================= Grid point 210 (108/201) ======================= q-point: (-0.12 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.501 3.846 22.081) 22.419 2.050 ( 19.952 12.328 27.335) 36.018 2.811 ( 0.246 0.840 8.815) 8.859 3.073 ( -12.892 2.367 -5.188) 14.097 3.412 ( 6.845 2.803 8.618) 11.357 3.890 ( 0.649 11.569 -1.835) 11.731 4.083 ( -1.437 -12.433 2.890) 12.845 4.453 ( 7.570 -3.783 1.032) 8.525 4.800 ( 0.528 -2.150 -1.960) 2.957 5.028 ( -8.024 -2.879 0.098) 8.525 5.296 ( -9.286 3.650 18.714) 21.207 5.582 ( -13.046 0.036 41.339) 43.349 6.214 ( -13.467 -1.155 45.866) 47.816 6.406 ( 0.418 3.692 5.538) 6.669 6.768 ( -3.071 -3.515 1.624) 4.942 7.203 ( 0.257 3.175 6.437) 7.182 7.379 ( -9.228 1.016 18.962) 21.113 7.656 ( 0.173 -6.651 -4.146) 7.839 8.106 ( 3.902 4.496 -15.544) 16.646 8.443 ( 8.823 -0.681 -18.845) 20.819 9.310 ( 0.113 10.510 -9.805) 14.374 9.801 ( -2.087 0.083 -12.547) 12.719 9.947 ( 5.135 -2.052 -5.501) 7.800 10.202 ( 3.009 -7.196 3.035) 8.370 10.545 ( 3.864 5.731 8.955) 11.312 10.796 ( -0.817 -1.862 -11.811) 11.984 11.398 ( -5.248 -0.332 19.467) 20.165 11.764 ( -5.501 2.489 13.586) 14.868 12.708 ( -3.944 0.720 -6.308) 7.474 13.361 ( 6.519 -1.974 -12.324) 14.081 13.669 ( 1.798 -1.494 -2.614) 3.507 14.311 ( -3.008 -16.324 2.813) 16.836 15.103 ( 9.597 2.284 -23.935) 25.888 15.208 ( 0.013 1.242 -15.480) 15.530 16.379 ( -4.451 0.387 14.462) 15.136 16.592 ( -5.604 0.964 5.856) 8.163 16.665 ( -1.917 -5.529 16.027) 17.063 17.042 ( -8.369 -7.272 12.898) 17.009 19.914 ( -6.437 -1.909 4.303) 7.975 20.713 ( -0.356 1.766 0.102) 1.805 21.934 ( 8.910 1.910 -22.632) 24.397 22.223 ( 5.862 4.209 -18.890) 20.221 27.404 ( -13.892 3.661 36.823) 39.527 28.994 ( -25.956 -34.321 26.903) 50.749 30.035 ( -14.801 2.151 -7.888) 16.909 30.646 ( 5.565 2.171 0.166) 5.975 31.024 ( -4.336 1.022 8.788) 9.852 31.198 ( -2.932 -0.758 6.040) 6.757 32.165 ( 27.461 -11.442 -5.490) 30.252 33.111 ( -5.579 -0.867 -19.451) 20.254 35.759 ( -6.329 -4.241 1.021) 7.686 35.908 ( -1.137 -0.367 2.854) 3.094 36.211 ( 6.262 -1.707 -2.359) 6.906 36.991 ( 15.264 28.668 -18.752) 37.503 ======================= Grid point 213 (109/201) ======================= q-point: ( 0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 6.962 -0.000 26.232) 27.140 2.788 ( 2.451 -0.000 11.117) 11.384 2.964 ( 7.207 -0.000 3.731) 8.116 3.413 ( 1.195 -0.000 -6.350) 6.462 3.614 ( -1.622 0.000 10.106) 10.235 3.864 ( 9.903 -0.000 -2.756) 10.279 4.238 ( -7.634 0.000 -5.244) 9.261 4.514 ( -0.738 0.000 -4.046) 4.113 4.831 ( -2.972 0.000 8.799) 9.288 4.986 ( 9.369 -0.000 -1.621) 9.509 5.183 ( -2.206 0.000 38.044) 38.108 5.515 ( -9.854 0.000 21.603) 23.744 6.343 ( -5.234 0.000 -3.407) 6.245 6.371 ( -23.168 0.000 41.414) 47.454 6.735 ( -1.157 0.000 -0.009) 1.157 6.947 ( -10.176 0.000 29.658) 31.355 7.114 ( -6.153 0.000 3.463) 7.060 7.850 ( 6.607 -0.000 3.863) 7.653 8.138 ( 8.815 -0.000 -20.087) 21.936 8.503 ( 3.576 -0.000 -16.287) 16.675 9.079 ( 1.716 -0.000 -2.852) 3.329 9.659 ( 4.629 -0.000 -10.749) 11.704 10.055 ( -6.826 0.000 -6.071) 9.135 10.194 ( 7.150 -0.000 -8.494) 11.102 10.616 ( -4.583 0.000 2.060) 5.025 10.706 ( 2.374 -0.000 -4.253) 4.871 11.486 ( -8.203 0.000 12.600) 15.035 11.718 ( -0.135 0.000 21.682) 21.683 12.732 ( 8.101 -0.000 -2.781) 8.565 13.215 ( -3.297 0.000 -14.316) 14.690 13.743 ( 2.344 -0.000 -5.275) 5.772 14.534 ( 2.936 -0.000 -7.776) 8.312 14.667 ( -11.701 0.000 13.725) 18.036 15.185 ( 8.209 -0.000 -24.431) 25.773 16.407 ( -4.438 0.000 15.159) 15.795 16.424 ( -2.631 0.000 6.214) 6.748 16.520 ( -14.678 0.000 17.487) 22.830 16.889 ( -3.182 0.000 11.149) 11.594 19.750 ( 0.076 -0.000 -2.895) 2.896 20.831 ( 3.764 -0.000 1.204) 3.952 22.048 ( 4.526 -0.000 -21.627) 22.096 22.236 ( 11.917 -0.000 -13.970) 18.362 27.354 ( -9.406 0.000 37.160) 38.332 28.083 ( -28.417 0.000 40.153) 49.192 29.960 ( 11.263 -0.000 3.802) 11.888 30.890 ( -8.368 0.000 4.402) 9.455 31.002 ( 5.111 -0.000 -9.009) 10.358 31.272 ( -5.682 0.000 17.514) 18.413 32.040 ( -14.024 0.000 -17.798) 22.659 33.014 ( 11.012 -0.000 -15.584) 19.082 35.549 ( -5.870 0.000 3.369) 6.768 35.676 ( -7.094 0.000 0.400) 7.105 36.043 ( 1.102 -0.000 -4.301) 4.440 37.860 ( 23.825 -0.000 -19.427) 30.741 ======================= Grid point 214 (110/201) ======================= q-point: ( 0.38 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 5.749 1.794 24.103) 24.844 2.719 ( -2.296 13.898 8.604) 16.506 3.078 ( 11.813 8.819 4.525) 15.421 3.286 ( -4.433 4.120 -3.571) 7.027 3.689 ( -4.435 -4.130 3.420) 6.958 3.917 ( 2.530 5.190 0.539) 5.799 4.081 ( -5.432 0.705 -7.288) 9.117 4.566 ( 3.490 -4.666 -3.464) 6.778 4.824 ( -3.530 -2.054 9.303) 10.160 5.167 ( 10.339 -5.134 1.388) 11.626 5.323 ( -2.439 0.456 37.518) 37.600 5.456 ( -7.231 3.034 10.112) 12.796 6.164 ( -13.545 4.643 19.700) 24.354 6.330 ( -14.271 -5.054 17.929) 23.466 6.689 ( -3.876 2.958 7.044) 8.567 6.972 ( -10.726 -4.769 26.128) 28.644 7.091 ( -1.452 -2.258 -0.011) 2.685 7.914 ( 5.402 5.728 8.380) 11.499 8.188 ( 7.697 -2.997 -17.936) 19.746 8.463 ( 2.670 1.537 -15.747) 16.045 9.131 ( 2.189 -5.206 -2.593) 6.214 9.678 ( 5.808 0.196 -9.981) 11.550 9.977 ( -4.940 -2.970 -5.424) 7.915 10.222 ( 5.072 2.474 -8.881) 10.523 10.556 ( -5.707 -1.336 -0.441) 5.878 10.723 ( 3.099 0.458 -2.893) 4.264 11.445 ( -7.564 -0.511 13.446) 15.436 11.800 ( -0.145 1.264 21.372) 21.410 12.845 ( 9.181 -2.138 -4.121) 10.289 13.101 ( -3.726 1.099 -13.558) 14.104 13.747 ( 2.016 0.312 -4.408) 4.857 14.347 ( -5.303 17.167 10.190) 20.656 14.723 ( 0.754 -8.336 -4.087) 9.315 15.229 ( 5.901 -6.311 -21.739) 23.394 16.388 ( -4.772 1.744 11.537) 12.606 16.423 ( -8.576 -0.666 16.189) 18.332 16.476 ( -4.173 -4.252 10.806) 12.340 16.883 ( -4.021 0.737 10.284) 11.066 19.749 ( 0.960 -0.912 -3.191) 3.455 20.873 ( 2.907 1.113 1.140) 3.315 22.014 ( 3.957 -1.007 -22.967) 23.327 22.323 ( 10.854 0.520 -13.563) 17.379 27.431 ( -8.761 -4.689 38.958) 40.206 27.908 ( -22.419 3.128 41.285) 47.083 30.136 ( 11.967 -0.879 5.159) 13.062 30.750 ( -11.567 2.626 -1.157) 11.918 31.028 ( 4.231 -0.339 -6.819) 8.032 31.260 ( -6.156 0.610 14.972) 16.199 31.825 ( -9.032 -0.565 -14.931) 17.459 33.082 ( 9.931 -0.388 -16.045) 18.874 35.501 ( -6.473 -3.476 2.153) 7.656 35.626 ( -7.858 -5.840 -0.765) 9.821 36.060 ( 5.218 1.925 -0.500) 5.584 38.018 ( 18.682 4.371 -20.291) 27.926 ======================= Grid point 215 (111/201) ======================= q-point: (-0.50 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 1.450 11.060 8.215) 13.854 2.524 ( -1.181 6.120 17.004) 18.110 2.863 ( 6.584 29.281 2.345) 30.103 3.370 ( -0.252 -9.820 3.194) 10.330 3.563 ( -9.460 6.492 1.915) 11.632 3.832 ( -0.976 5.711 -2.910) 6.484 4.030 ( -2.439 -2.789 -8.462) 9.237 4.622 ( 2.404 1.527 -4.173) 5.052 4.923 ( -4.078 -9.650 16.855) 19.845 5.281 ( -3.077 10.936 6.159) 12.923 5.325 ( 1.343 0.238 3.377) 3.642 5.452 ( -3.624 -1.165 32.637) 32.859 6.119 ( -6.247 -3.013 23.489) 24.492 6.302 ( -9.762 -3.893 13.972) 17.484 6.640 ( -6.325 0.490 13.622) 15.027 7.018 ( -10.565 -6.935 20.365) 23.968 7.122 ( 2.598 -2.023 -4.173) 5.316 7.908 ( 2.384 7.754 11.143) 13.783 8.245 ( 4.211 -3.560 -14.656) 15.659 8.403 ( 3.832 3.008 -15.465) 16.214 9.252 ( 2.725 -8.913 -3.375) 9.913 9.725 ( 6.639 -1.225 -8.524) 10.873 9.950 ( -2.645 -2.123 -4.266) 5.450 10.165 ( 0.220 4.783 -9.146) 10.323 10.529 ( -3.219 -3.966 -2.067) 5.510 10.748 ( 3.498 0.736 -1.396) 3.837 11.418 ( -6.781 -0.297 14.066) 15.618 11.859 ( -1.054 1.908 20.319) 20.435 12.942 ( -1.656 -1.372 -8.961) 9.215 13.022 ( 7.719 -0.563 -9.488) 12.244 13.754 ( 0.888 -0.965 -2.070) 2.450 14.082 ( -5.210 16.866 13.070) 21.964 14.842 ( 6.809 -6.662 -12.354) 15.600 15.296 ( 3.258 -6.198 -19.049) 20.295 16.344 ( -7.323 -0.209 13.009) 14.930 16.423 ( -4.835 -1.036 16.594) 17.315 16.550 ( -2.546 -5.026 10.387) 11.816 16.857 ( -4.332 0.933 9.398) 10.391 19.774 ( 1.163 -2.190 -2.088) 3.242 20.878 ( 1.163 2.412 0.825) 2.802 21.982 ( 3.938 -1.488 -24.010) 24.377 22.378 ( 9.338 1.690 -14.484) 17.316 27.592 ( -9.504 -9.728 41.328) 43.508 27.776 ( -17.846 3.421 41.401) 45.213 30.326 ( 11.395 -1.390 5.416) 12.693 30.531 ( -12.094 3.881 -5.740) 13.939 31.061 ( 1.931 -1.018 -1.848) 2.860 31.229 ( -4.885 0.633 8.753) 10.044 31.705 ( -1.433 -0.257 -11.403) 11.496 33.139 ( 7.467 -1.372 -16.761) 18.400 35.502 ( -6.903 -7.577 1.121) 10.311 35.626 ( -7.295 -9.036 -2.523) 11.884 36.112 ( 8.341 4.360 3.785) 10.144 38.040 ( 13.700 9.244 -21.602) 27.199 ======================= Grid point 216 (112/201) ======================= q-point: (-0.38 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -1.517 22.582 -2.223) 22.742 2.535 ( 3.945 17.129 15.779) 23.621 2.693 ( 2.350 3.630 15.990) 16.564 3.288 ( -8.715 6.817 -3.852) 11.715 3.532 ( -5.293 -7.355 3.724) 9.797 3.752 ( 2.918 3.835 -2.794) 5.570 4.019 ( -0.152 -3.632 -7.520) 8.352 4.571 ( 1.822 5.514 -5.064) 7.705 5.016 ( -9.079 -2.186 8.853) 12.868 5.082 ( -2.274 12.066 13.946) 18.580 5.345 ( -1.527 -0.532 9.154) 9.296 5.545 ( -5.194 0.225 31.916) 32.337 6.185 ( -13.327 -1.465 41.201) 43.328 6.347 ( 3.666 -5.279 -5.135) 8.227 6.631 ( -8.253 -3.158 16.342) 18.578 7.073 ( -7.142 -6.587 15.091) 17.949 7.184 ( 5.222 -3.188 -6.341) 8.811 7.851 ( -1.942 8.244 13.123) 15.619 8.254 ( -0.862 -2.301 -13.005) 13.235 8.367 ( 7.780 2.096 -16.007) 17.921 9.406 ( 3.410 -9.075 -5.342) 11.069 9.811 ( 7.025 -2.931 -5.850) 9.600 9.913 ( -2.228 0.821 -4.486) 5.076 10.043 ( -2.010 4.451 -8.208) 9.551 10.559 ( -0.933 -5.003 -2.477) 5.660 10.774 ( 3.106 1.326 -0.674) 3.444 11.398 ( -6.146 0.136 14.990) 16.202 11.885 ( -3.102 2.650 18.391) 18.838 12.843 ( -3.316 1.489 -9.750) 10.405 13.154 ( 9.967 -3.880 -9.329) 14.192 13.779 ( -2.065 -1.820 3.381) 4.360 13.877 ( -2.079 9.930 8.203) 13.047 14.977 ( 10.589 -5.267 -16.350) 20.179 15.306 ( 1.041 -2.613 -18.944) 19.152 16.328 ( -6.737 -2.057 14.494) 16.115 16.462 ( -3.444 -1.454 17.861) 18.248 16.620 ( -3.576 -3.590 9.284) 10.577 16.841 ( -3.551 -0.907 9.375) 10.066 19.816 ( 0.175 -2.992 -0.295) 3.011 20.843 ( -0.615 3.267 0.427) 3.352 21.955 ( 4.744 -1.455 -24.283) 24.785 22.389 ( 7.892 3.047 -16.216) 18.291 27.641 ( -14.472 5.297 41.027) 43.826 27.866 ( -13.102 -17.713 42.563) 47.927 30.296 ( -10.087 3.227 -9.345) 14.124 30.514 ( 8.492 -2.081 6.405) 10.838 31.079 ( -2.012 -0.109 5.820) 6.159 31.195 ( -2.875 -0.454 -0.885) 3.042 31.720 ( 10.188 -0.653 -7.158) 12.468 33.154 ( 2.757 -1.510 -18.058) 18.330 35.536 ( -6.734 -8.721 0.748) 11.043 35.682 ( -3.856 -11.076 -3.670) 12.289 36.174 ( 8.902 5.824 6.317) 12.372 37.925 ( 9.090 14.289 -23.380) 28.869 ======================= Grid point 217 (113/201) ======================= q-point: (-0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.964 22.249 3.171) 22.495 2.462 ( 10.252 15.755 21.467) 28.533 2.715 ( -9.472 -3.831 9.216) 13.760 3.109 ( -6.651 2.323 -5.430) 8.894 3.535 ( -0.764 0.782 4.916) 5.036 3.776 ( -0.701 -4.996 -1.266) 5.202 4.070 ( 4.026 -2.643 -5.331) 7.185 4.502 ( 5.446 6.962 -3.354) 9.454 4.882 ( -2.217 5.588 -2.092) 6.365 5.001 ( -7.578 4.171 16.317) 18.468 5.371 ( -3.260 0.660 12.999) 13.418 5.585 ( -9.858 0.498 35.267) 36.622 6.197 ( -13.446 -0.150 44.684) 46.664 6.434 ( 4.094 -1.653 -3.229) 5.470 6.635 ( -11.029 -5.188 13.607) 18.267 7.154 ( -3.203 -5.770 12.381) 14.031 7.292 ( 6.806 -4.928 -7.783) 11.454 7.733 ( -6.913 8.667 14.375) 18.153 8.193 ( 0.069 0.874 -13.735) 13.763 8.399 ( 7.810 -1.196 -16.308) 18.121 9.507 ( 3.851 -0.783 -8.254) 9.142 9.826 ( -3.731 1.733 -7.957) 8.958 9.903 ( 4.057 -0.231 -5.519) 6.853 9.992 ( 1.940 -4.644 -1.343) 5.209 10.613 ( 0.587 -3.832 -1.688) 4.228 10.777 ( 1.845 2.257 -1.751) 3.401 11.390 ( -5.335 -0.035 16.986) 17.804 11.857 ( -5.813 3.541 15.651) 17.067 12.750 ( -1.281 2.122 -7.920) 8.299 13.279 ( 7.705 -3.616 -11.464) 14.278 13.715 ( -1.501 5.877 6.702) 9.040 13.903 ( -2.229 -9.292 3.597) 10.211 15.113 ( 12.560 -2.917 -18.325) 22.406 15.237 ( -0.650 0.833 -19.677) 19.705 16.349 ( -5.672 -2.698 15.715) 16.924 16.526 ( -3.248 -2.599 18.914) 19.366 16.622 ( -4.917 -0.036 6.937) 8.503 16.880 ( -3.329 -4.112 10.132) 11.431 19.848 ( -2.225 -2.464 1.848) 3.800 20.785 ( -1.117 3.132 -0.018) 3.325 21.942 ( 6.472 -1.149 -23.393) 24.298 22.357 ( 6.634 4.359 -18.093) 19.758 27.551 ( -13.085 6.509 39.867) 42.462 28.141 ( -19.294 -23.788 41.584) 51.647 30.102 ( -8.157 2.340 -8.600) 12.082 30.649 ( 5.655 -1.427 2.172) 6.223 31.060 ( -4.319 1.362 9.121) 10.184 31.167 ( -2.096 -1.273 -1.125) 2.697 31.941 ( 21.712 -4.754 -4.910) 22.762 33.087 ( -3.489 -0.717 -19.584) 19.905 35.576 ( -5.973 -8.011 0.700) 10.018 35.796 ( 0.455 -9.104 -2.471) 9.444 36.231 ( 8.030 4.610 5.402) 10.720 37.680 ( 6.035 18.891 -24.597) 31.596 ======================= Grid point 218 (114/201) ======================= q-point: (-0.12 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 3.935 12.902 15.167) 20.298 2.494 ( 3.912 6.510 18.700) 20.183 2.732 ( -5.491 -9.985 5.751) 12.764 2.960 ( -1.881 6.450 -3.898) 7.768 3.576 ( 4.447 1.299 6.949) 8.352 3.850 ( -4.788 -10.192 0.050) 11.261 4.087 ( 5.251 6.739 -1.673) 8.705 4.534 ( 8.516 0.404 1.314) 8.626 4.810 ( -2.640 -2.131 -8.770) 9.403 4.922 ( -3.226 5.295 12.610) 14.051 5.334 ( -5.119 4.814 13.445) 15.171 5.585 ( -13.448 -0.021 37.256) 39.608 6.243 ( -10.828 -1.069 46.747) 47.997 6.464 ( -0.287 1.587 4.629) 4.902 6.626 ( -9.050 -7.337 5.596) 12.925 7.238 ( -3.060 -3.783 11.391) 12.387 7.369 ( 1.457 3.021 -1.780) 3.797 7.594 ( -7.208 1.555 9.942) 12.378 8.138 ( 4.303 1.745 -15.016) 15.718 8.447 ( 7.108 -1.978 -17.287) 18.796 9.431 ( 1.584 10.277 -7.586) 12.872 9.729 ( -1.920 0.728 -10.973) 11.164 9.948 ( 4.134 -3.472 -5.788) 7.915 10.133 ( 2.387 -7.989 1.318) 8.441 10.661 ( 1.238 -1.905 -0.526) 2.332 10.736 ( 0.217 3.675 -3.743) 5.250 11.415 ( -3.804 -0.961 19.577) 19.967 11.777 ( -7.931 3.444 12.955) 15.575 12.685 ( 0.861 2.626 -5.816) 6.440 13.345 ( 4.191 -2.263 -12.861) 13.714 13.682 ( 1.180 1.371 1.607) 2.419 14.053 ( -4.568 -14.798 5.557) 16.454 15.107 ( -0.852 3.534 -19.228) 19.569 15.218 ( 11.733 -0.370 -19.123) 22.439 16.380 ( -4.725 -1.170 15.704) 16.441 16.559 ( -5.819 0.461 7.932) 9.848 16.627 ( -3.511 -3.991 17.245) 18.046 16.921 ( -6.263 -3.368 9.993) 12.265 19.839 ( -4.393 -0.856 3.449) 5.651 20.740 ( 0.231 1.936 -0.320) 1.976 21.958 ( 8.710 -0.889 -21.337) 23.064 22.288 ( 5.787 5.132 -19.381) 20.868 27.465 ( -12.062 6.412 38.460) 40.813 28.355 ( -28.074 -24.066 38.710) 53.534 29.940 ( -5.182 3.994 -6.416) 9.164 30.737 ( 6.692 -1.033 -2.201) 7.120 31.016 ( -4.539 1.091 6.339) 7.873 31.179 ( -1.986 -1.610 8.602) 8.974 32.313 ( 22.955 -8.354 -7.187) 25.463 32.922 ( -8.955 0.099 -20.437) 22.313 35.609 ( -5.044 -5.825 1.249) 7.806 35.891 ( 0.509 -2.901 1.327) 3.231 36.296 ( 5.998 2.205 0.073) 6.390 37.394 ( 9.852 18.082 -23.452) 31.209 ======================= Grid point 222 (115/201) ======================= q-point: ( 0.38 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 1.165 -0.000 24.047) 24.075 2.858 ( -4.121 0.000 9.958) 10.777 3.095 ( -0.358 0.000 -1.464) 1.507 3.474 ( 6.843 -0.000 -0.562) 6.866 3.567 ( -4.211 0.000 4.569) 6.214 3.943 ( -9.196 0.000 -9.660) 13.337 3.988 ( 0.672 -0.000 -3.367) 3.433 4.557 ( 2.032 -0.000 3.339) 3.909 4.793 ( -4.170 0.000 8.258) 9.251 5.295 ( 12.180 -0.000 3.493) 12.671 5.419 ( -7.227 0.000 25.654) 26.653 5.467 ( -0.824 0.000 13.066) 13.092 6.152 ( -2.556 0.000 -11.695) 11.971 6.159 ( -20.485 0.000 51.054) 55.011 6.678 ( -4.143 0.000 1.726) 4.488 6.888 ( -15.164 0.000 31.991) 35.403 7.092 ( 4.022 -0.000 -1.914) 4.454 8.062 ( 2.638 -0.000 12.383) 12.660 8.174 ( 6.012 -0.000 -18.028) 19.004 8.439 ( 3.476 -0.000 -17.850) 18.185 9.121 ( 3.174 -0.000 -1.804) 3.651 9.715 ( 6.348 -0.000 -10.315) 12.112 9.879 ( -3.520 0.000 -2.270) 4.189 10.267 ( 4.554 -0.000 -10.987) 11.893 10.445 ( -8.489 0.000 0.048) 8.489 10.762 ( 4.548 -0.000 -4.060) 6.096 11.413 ( -6.254 0.000 14.558) 15.844 11.888 ( -1.476 0.000 20.260) 20.314 12.904 ( 3.634 -0.000 -6.292) 7.266 13.034 ( 2.584 -0.000 -11.337) 11.627 13.755 ( 2.032 -0.000 -5.307) 5.683 14.561 ( 4.121 -0.000 -7.309) 8.390 14.566 ( -7.602 0.000 21.116) 22.443 15.154 ( 5.685 -0.000 -24.496) 25.147 16.354 ( -9.228 0.000 14.045) 16.805 16.425 ( -4.508 0.000 16.316) 16.928 16.442 ( -0.724 0.000 7.162) 7.198 16.874 ( -4.810 0.000 9.945) 11.047 19.744 ( 1.755 -0.000 -3.963) 4.335 20.916 ( 1.627 -0.000 0.913) 1.866 21.956 ( 3.829 -0.000 -24.018) 24.322 22.401 ( 9.344 -0.000 -13.327) 16.277 27.449 ( -9.233 0.000 39.351) 40.419 27.842 ( -18.759 0.000 42.168) 46.153 30.305 ( 11.303 -0.000 5.442) 12.545 30.591 ( -14.149 0.000 -3.826) 14.657 31.045 ( 2.574 -0.000 -3.726) 4.529 31.241 ( -6.093 0.000 11.074) 12.640 31.700 ( -0.880 0.000 -11.413) 11.447 33.118 ( 7.426 -0.000 -17.153) 18.692 35.379 ( -7.713 0.000 -0.463) 7.727 35.495 ( -6.103 0.000 -0.877) 6.166 36.176 ( 8.573 -0.000 4.021) 9.469 38.171 ( 13.775 -0.000 -21.038) 25.147 ======================= Grid point 223 (116/201) ======================= q-point: (-0.50 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -2.289 0.842 21.153) 21.293 2.690 ( -5.678 14.214 5.964) 16.427 3.119 ( -7.109 -2.094 -0.149) 7.413 3.398 ( 9.257 10.434 3.216) 14.314 3.557 ( -8.194 7.412 3.819) 11.690 3.800 ( -3.275 -2.254 -6.798) 7.875 3.956 ( -1.973 -0.135 -8.080) 8.319 4.606 ( -0.865 -2.159 -2.882) 3.704 4.825 ( -3.498 -5.835 14.140) 15.692 5.381 ( -1.884 3.462 10.610) 11.318 5.423 ( 0.578 6.204 8.020) 10.156 5.520 ( -2.887 -2.113 26.210) 26.453 6.119 ( 1.322 -2.525 5.410) 6.115 6.182 ( -11.205 -4.013 29.243) 31.572 6.608 ( -6.950 1.514 7.180) 10.107 6.878 ( -12.112 -5.666 26.585) 29.759 7.157 ( 6.487 0.006 -0.995) 6.563 8.068 ( -0.486 6.124 8.945) 10.851 8.180 ( 1.232 -2.046 -12.727) 12.949 8.414 ( 5.632 0.348 -18.988) 19.809 9.191 ( 3.859 -4.388 -1.638) 6.068 9.759 ( 6.762 -0.742 -9.601) 11.767 9.864 ( -1.881 -2.689 -0.998) 3.430 10.202 ( -0.817 6.010 -8.888) 10.760 10.395 ( -4.763 -5.725 -2.566) 7.877 10.804 ( 5.056 0.448 -3.780) 6.329 11.403 ( -5.173 0.153 15.044) 15.909 11.933 ( -3.595 0.813 18.580) 18.942 12.864 ( -2.307 0.002 -8.910) 9.204 13.091 ( 9.674 -0.679 -8.568) 12.940 13.752 ( 1.469 0.389 -4.824) 5.057 14.337 ( -3.290 18.568 13.990) 23.480 14.767 ( 5.115 -10.525 -3.889) 12.331 15.161 ( 3.182 -5.637 -20.755) 21.741 16.304 ( -7.381 0.064 13.417) 15.313 16.434 ( -3.310 -0.014 16.064) 16.402 16.499 ( -1.779 -3.780 9.188) 10.093 16.848 ( -4.956 0.495 9.396) 10.635 19.761 ( 2.168 -0.928 -3.215) 3.987 20.917 ( -0.228 1.572 0.576) 1.690 21.911 ( 4.301 -1.122 -24.909) 25.302 22.444 ( 7.452 0.895 -14.157) 16.024 27.530 ( -10.396 -5.247 40.345) 41.992 27.788 ( -15.136 2.747 43.009) 45.677 30.365 ( -13.148 1.296 -7.197) 15.045 30.471 ( 7.964 -0.776 5.145) 9.513 31.065 ( 0.826 -0.445 1.189) 1.515 31.200 ( -5.236 0.338 5.363) 7.503 31.708 ( 8.466 -0.233 -7.902) 11.583 33.124 ( 4.243 -0.559 -18.131) 18.629 35.323 ( -5.815 -4.927 -0.738) 7.657 35.454 ( -3.984 -4.208 -1.597) 6.011 36.297 ( 8.811 2.402 6.743) 11.352 38.188 ( 8.423 4.644 -22.338) 24.320 ======================= Grid point 224 (117/201) ======================= q-point: (-0.38 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -3.584 17.095 0.477) 17.473 2.597 ( -8.376 0.639 18.855) 20.641 2.975 ( -6.920 10.238 9.824) 15.786 3.285 ( -7.227 10.296 -3.242) 12.990 3.443 ( 3.432 0.370 2.867) 4.487 3.811 ( 2.328 1.205 -3.266) 4.188 3.921 ( -0.528 -5.104 -7.803) 9.339 4.569 ( -2.803 -0.878 -7.299) 7.868 4.923 ( -4.027 -3.999 11.392) 12.727 5.302 ( -2.557 11.413 15.869) 19.713 5.370 ( -4.296 2.128 17.048) 17.709 5.598 ( -4.696 -0.489 20.643) 21.176 6.196 ( -11.496 -0.008 41.726) 43.281 6.279 ( 6.307 -8.203 -8.551) 13.424 6.545 ( -7.782 -0.787 10.941) 13.449 6.952 ( -7.515 -7.584 22.080) 24.526 7.237 ( 7.631 0.722 -1.632) 7.837 7.974 ( -4.813 7.778 9.026) 12.850 8.154 ( -0.791 -2.223 -12.772) 12.988 8.408 ( 6.876 0.650 -18.530) 19.775 9.324 ( 4.526 -7.652 -1.921) 9.095 9.835 ( 7.226 -2.672 -8.007) 11.111 9.861 ( -2.270 -0.422 -2.508) 3.408 10.059 ( -2.191 5.727 -6.472) 8.916 10.428 ( -2.749 -7.256 -3.558) 8.536 10.840 ( 4.521 1.319 -2.854) 5.507 11.401 ( -4.498 0.673 15.519) 16.172 11.929 ( -6.204 1.434 16.268) 17.470 12.803 ( -0.072 1.159 -7.886) 7.971 13.192 ( 8.647 -1.993 -9.547) 13.035 13.745 ( 0.166 -0.471 -2.733) 2.778 14.098 ( -2.705 17.759 14.274) 22.944 14.960 ( 11.036 -7.673 -14.840) 20.022 15.186 ( 0.162 -4.908 -15.193) 15.967 16.284 ( -6.201 -1.228 14.631) 15.938 16.479 ( -2.924 -1.229 18.420) 18.691 16.564 ( -2.783 -3.689 8.327) 9.523 16.823 ( -4.147 -0.202 8.989) 9.901 19.792 ( 1.587 -1.272 -1.426) 2.484 20.874 ( -1.674 2.814 0.278) 3.286 21.890 ( 5.575 -2.109 -25.012) 25.713 22.445 ( 5.809 1.920 -15.681) 16.833 27.666 ( -12.911 -10.121 41.285) 44.425 27.740 ( -12.017 5.610 43.559) 45.533 30.151 ( -11.375 0.987 -7.541) 13.683 30.597 ( 5.739 -1.781 1.487) 6.190 31.084 ( -1.980 0.091 8.371) 8.603 31.147 ( -3.292 0.096 -1.164) 3.493 31.860 ( 17.746 -1.492 -5.270) 18.572 33.076 ( -0.452 -0.048 -19.366) 19.371 35.352 ( -3.568 -7.169 0.044) 8.008 35.511 ( 0.442 -8.724 -2.127) 8.990 36.380 ( 6.859 4.586 7.632) 11.239 38.067 ( 3.194 8.981 -24.067) 25.886 ======================= Grid point 225 (118/201) ======================= q-point: (-0.25 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.014 17.746 1.353) 17.798 2.525 ( -13.245 -1.565 12.082) 17.995 2.710 ( -17.970 8.973 12.945) 23.896 3.178 ( 7.937 5.992 -1.721) 10.093 3.488 ( -0.370 -2.668 4.520) 5.262 3.773 ( 0.880 3.086 -3.824) 4.992 4.028 ( 4.265 -7.748 -3.891) 9.663 4.532 ( -1.457 -3.544 -9.804) 10.526 4.898 ( -1.626 6.086 3.727) 7.320 5.184 ( -2.541 11.225 22.112) 24.928 5.384 ( -4.884 -0.866 17.903) 18.578 5.593 ( -9.273 0.727 20.949) 22.921 6.226 ( -11.175 -0.349 41.216) 42.705 6.403 ( -1.561 -6.230 2.432) 6.867 6.514 ( -3.336 0.338 4.280) 5.437 7.078 ( -4.242 -7.337 20.708) 22.375 7.323 ( 7.077 -0.972 -2.577) 7.594 7.808 ( -8.893 8.636 8.884) 15.251 8.126 ( 0.696 -2.179 -13.036) 13.236 8.416 ( 7.170 -0.093 -18.159) 19.523 9.491 ( 5.804 -7.116 -3.035) 9.672 9.786 ( -3.044 3.120 -5.307) 6.867 9.928 ( 2.532 1.983 -7.548) 8.204 9.958 ( 2.316 -2.395 -3.558) 4.875 10.495 ( -1.685 -8.071 -3.173) 8.834 10.851 ( 3.062 2.912 -1.698) 4.554 11.406 ( -3.914 0.500 17.021) 17.472 11.870 ( -8.658 2.454 13.749) 16.432 12.766 ( 3.062 2.525 -6.646) 7.740 13.274 ( 5.684 -2.392 -11.258) 12.837 13.755 ( -1.354 -2.449 1.438) 3.146 13.909 ( -1.565 11.966 10.694) 16.125 15.114 ( 8.315 -4.288 -24.596) 26.316 15.181 ( 4.376 -1.822 -10.179) 11.229 16.307 ( -5.177 -2.890 16.581) 17.609 16.532 ( -4.817 -1.020 18.274) 18.926 16.595 ( -2.522 -1.164 8.621) 9.058 16.833 ( -3.215 -2.359 8.555) 9.439 19.816 ( -0.083 -0.587 1.054) 1.209 20.810 ( -1.622 2.841 -0.046) 3.272 21.904 ( 7.567 -2.746 -23.989) 25.303 22.407 ( 4.638 3.020 -17.360) 18.220 27.688 ( -9.896 8.392 43.374) 45.273 27.820 ( -16.975 -13.294 41.479) 46.748 29.997 ( -6.523 0.288 -6.130) 8.956 30.679 ( 3.359 -2.654 -3.606) 5.597 31.056 ( -4.575 1.518 5.626) 7.409 31.139 ( -0.919 -1.145 5.411) 5.607 32.145 ( 23.177 -3.806 -5.077) 24.030 32.942 ( -5.871 1.263 -20.488) 21.350 35.419 ( -1.946 -6.902 0.775) 7.212 35.685 ( 5.000 -10.602 -1.463) 11.813 36.409 ( 4.394 5.383 6.305) 9.383 37.825 ( -0.418 11.919 -25.437) 28.094 ======================= Grid point 226 (119/201) ======================= q-point: (-0.12 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 4.844 14.676 8.798) 17.784 2.392 ( -18.149 -5.501 2.775) 19.166 2.518 ( -14.646 -4.984 12.277) 19.750 3.221 ( 13.766 8.932 2.980) 16.678 3.561 ( -2.247 -6.700 5.919) 9.218 3.739 ( -0.499 0.016 -1.817) 1.884 4.167 ( 4.615 -3.887 -0.987) 6.114 4.547 ( -1.626 -7.219 -12.172) 14.245 4.803 ( 4.469 9.326 2.707) 10.690 5.113 ( -0.756 9.372 21.945) 23.874 5.395 ( -3.565 1.790 13.541) 14.116 5.530 ( -14.633 -0.578 24.199) 28.285 6.272 ( -12.004 -1.992 40.273) 42.071 6.419 ( -9.745 -2.695 11.192) 15.083 6.517 ( 3.178 -0.960 -0.563) 3.367 7.188 ( -5.620 -3.138 21.063) 22.024 7.425 ( 6.253 -3.335 -3.523) 7.914 7.586 ( -11.735 9.103 9.800) 17.794 8.135 ( 5.182 -2.038 -13.999) 15.066 8.435 ( 6.214 -0.994 -17.896) 18.970 9.571 ( 4.511 7.233 -4.609) 9.690 9.687 ( -0.695 1.444 -7.327) 7.500 9.888 ( -0.114 -4.719 -6.154) 7.756 10.076 ( 4.352 -5.633 -2.710) 7.617 10.568 ( -0.986 -6.297 -4.449) 7.774 10.820 ( 1.193 4.648 -0.181) 4.802 11.442 ( -2.794 -0.907 19.525) 19.744 11.763 ( -9.971 3.125 12.126) 16.007 12.751 ( 5.667 3.853 -5.620) 8.862 13.299 ( 1.670 -1.708 -12.654) 12.878 13.759 ( 0.365 4.571 6.141) 7.664 13.859 ( -3.792 -6.113 5.130) 8.836 15.058 ( -0.097 1.903 -17.581) 17.683 15.285 ( 12.743 -1.417 -19.522) 23.356 16.362 ( -4.461 -2.686 17.249) 18.018 16.522 ( -6.417 -0.125 11.100) 12.822 16.627 ( -2.941 -0.181 15.599) 15.875 16.859 ( -3.781 -2.147 7.640) 8.790 19.813 ( -1.471 0.704 3.017) 3.429 20.766 ( -0.012 1.546 -0.256) 1.567 21.956 ( 9.577 -2.896 -22.097) 24.257 22.336 ( 4.150 3.904 -18.551) 19.407 27.618 ( -8.797 10.249 42.250) 44.356 27.941 ( -21.772 -13.792 40.944) 48.380 29.921 ( -0.698 1.173 -3.514) 3.770 30.744 ( 2.649 -4.574 -6.247) 8.183 31.002 ( -2.533 1.607 1.997) 3.604 31.177 ( -2.315 -1.436 12.705) 12.994 32.458 ( 16.882 -3.723 -9.478) 19.715 32.741 ( -5.490 1.216 -18.979) 19.794 35.501 ( 0.068 -5.532 1.944) 5.864 35.859 ( 2.705 -4.949 0.826) 5.700 36.403 ( 2.180 4.527 1.403) 5.217 37.561 ( 2.864 9.244 -25.017) 26.823 ======================= Grid point 231 (120/201) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -5.330 0.000 21.056) 21.720 2.729 ( -12.206 0.000 8.862) 15.084 2.956 ( -9.238 0.000 -2.628) 9.605 3.549 ( -1.087 0.000 3.715) 3.871 3.626 ( -0.128 0.000 5.629) 5.631 3.689 ( 0.293 -0.000 -11.871) 11.875 3.864 ( -6.140 0.000 -4.528) 7.629 4.549 ( -3.150 0.000 -6.769) 7.466 4.803 ( -1.691 0.000 13.051) 13.161 5.435 ( -3.877 0.000 18.853) 19.247 5.502 ( -11.820 0.000 31.702) 33.833 5.551 ( 4.120 -0.000 2.159) 4.651 6.125 ( 8.641 -0.000 -10.287) 13.435 6.196 ( -8.450 0.000 37.355) 38.299 6.562 ( -5.122 0.000 0.230) 5.127 6.811 ( -11.183 0.000 34.670) 36.429 7.260 ( 8.020 -0.000 2.929) 8.538 8.113 ( 0.596 -0.000 -14.573) 14.585 8.114 ( -6.599 0.000 9.513) 11.578 8.406 ( 7.298 -0.000 -23.196) 24.317 9.207 ( 3.975 -0.000 -0.542) 4.011 9.794 ( 6.583 -0.000 -10.807) 12.654 9.839 ( 0.104 -0.000 2.173) 2.175 10.232 ( 1.249 -0.000 -14.572) 14.625 10.239 ( -7.583 0.000 3.282) 8.263 10.855 ( 5.375 -0.000 -4.943) 7.302 11.413 ( -3.975 0.000 15.729) 16.223 11.947 ( -6.636 0.000 16.509) 17.793 12.815 ( 0.182 -0.000 -7.496) 7.499 13.168 ( 8.697 -0.000 -8.768) 12.349 13.754 ( 1.679 -0.000 -5.905) 6.139 14.614 ( 4.404 -0.000 -6.447) 7.808 14.641 ( -1.324 0.000 23.504) 23.542 15.072 ( 4.462 -0.000 -24.342) 24.747 16.274 ( -6.369 0.000 13.567) 14.987 16.465 ( -3.571 0.000 18.061) 18.411 16.489 ( -0.930 0.000 7.585) 7.642 16.827 ( -4.915 0.000 9.189) 10.421 19.776 ( 3.165 -0.000 -3.060) 4.402 20.918 ( -1.719 0.000 0.492) 1.788 21.854 ( 5.160 -0.000 -25.879) 26.389 22.471 ( 5.318 -0.000 -14.537) 15.479 27.523 ( -11.802 0.000 40.195) 41.892 27.833 ( -10.077 0.000 45.210) 46.320 30.162 ( -13.956 0.000 -6.884) 15.561 30.569 ( 5.580 -0.000 0.853) 5.645 31.081 ( -0.294 0.000 5.906) 5.914 31.154 ( -4.769 0.000 2.024) 5.180 31.841 ( 16.710 -0.000 -5.425) 17.569 33.077 ( 1.155 -0.000 -19.156) 19.191 35.235 ( -1.899 0.000 -0.155) 1.905 35.384 ( -1.223 0.000 -1.789) 2.167 36.449 ( 6.937 -0.000 8.119) 10.679 38.193 ( 2.599 -0.000 -23.774) 23.916 ======================= Grid point 232 (121/201) ======================= q-point: (-0.38 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -15.033 9.420 8.436) 19.644 2.630 ( -4.424 3.275 15.822) 16.752 2.832 ( -18.452 -3.044 3.841) 19.091 3.357 ( -6.735 12.182 0.319) 13.923 3.613 ( 5.236 7.645 1.937) 9.467 3.760 ( -0.564 -10.971 -5.283) 12.190 3.825 ( -0.071 -2.096 -3.369) 3.969 4.455 ( -6.205 -1.269 -9.497) 11.415 4.876 ( -1.280 -3.885 10.843) 11.589 5.435 ( -8.364 3.862 28.377) 29.835 5.455 ( -5.660 5.669 24.852) 26.112 5.590 ( -2.708 -1.079 5.105) 5.878 6.223 ( -0.861 -0.356 15.558) 15.586 6.269 ( 2.032 -2.626 12.360) 12.798 6.505 ( -2.338 -0.392 0.544) 2.433 6.880 ( -7.161 -5.002 33.087) 34.220 7.361 ( 7.026 1.987 3.510) 8.101 8.002 ( -9.592 4.451 5.154) 11.764 8.067 ( 0.045 -1.352 -13.368) 13.436 8.407 ( 7.328 -0.750 -23.631) 24.753 9.287 ( 3.750 -4.599 -0.226) 5.938 9.831 ( 2.812 -0.173 -7.464) 7.978 9.867 ( 3.549 -0.992 -0.409) 3.708 10.089 ( -1.546 5.878 -6.548) 8.934 10.271 ( -2.789 -7.244 -3.992) 8.729 10.896 ( 4.731 0.591 -4.936) 6.863 11.430 ( -3.329 0.736 16.317) 16.670 11.906 ( -9.296 0.435 14.199) 16.977 12.807 ( 3.547 0.488 -6.327) 7.270 13.232 ( 6.418 -0.558 -9.269) 11.288 13.742 ( 1.203 0.823 -5.372) 5.566 14.412 ( 0.148 20.240 11.878) 23.469 14.913 ( 8.864 -11.516 -4.150) 15.113 15.059 ( 2.163 -4.426 -17.655) 18.329 16.260 ( -5.403 -0.474 14.682) 15.652 16.508 ( -3.350 -0.579 18.914) 19.217 16.525 ( -1.290 -2.532 8.611) 9.067 16.805 ( -4.249 -0.066 8.844) 9.812 19.809 ( 3.354 0.003 -1.755) 3.785 20.880 ( -2.586 1.631 0.546) 3.106 21.830 ( 6.605 -1.818 -26.203) 27.084 22.458 ( 3.622 0.794 -15.484) 15.922 27.562 ( -14.075 -4.317 40.504) 43.097 27.910 ( -3.838 4.944 47.570) 47.980 29.977 ( -10.709 -1.006 -5.880) 12.258 30.617 ( 1.886 -1.325 -5.065) 5.565 31.088 ( -4.847 0.624 8.053) 9.419 31.117 ( -0.458 -0.371 2.981) 3.038 32.081 ( 22.466 -1.000 -4.339) 22.903 32.980 ( -2.615 1.002 -20.248) 20.440 35.265 ( 1.608 -3.308 0.870) 3.779 35.422 ( 2.871 -5.857 -1.782) 6.762 36.534 ( 3.690 2.642 8.155) 9.332 38.054 ( -3.174 4.177 -25.699) 26.229 ======================= Grid point 233 (122/201) ======================= q-point: (-0.25 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -15.112 5.496 3.961) 16.561 2.492 ( -23.224 8.370 12.614) 27.723 2.584 ( -8.697 6.673 9.531) 14.526 3.237 ( -1.868 -2.474 2.721) 4.125 3.584 ( 4.969 5.643 -0.824) 7.564 3.804 ( -0.188 0.161 -1.173) 1.198 3.942 ( 4.330 -9.027 -2.407) 10.297 4.375 ( -5.112 -4.292 -10.772) 12.673 4.933 ( -2.889 -2.248 6.957) 7.861 5.364 ( -7.913 6.916 28.423) 30.304 5.422 ( -5.740 5.230 27.045) 28.137 5.559 ( -5.968 0.469 5.322) 8.010 6.259 ( -5.027 1.792 27.141) 27.661 6.346 ( -3.356 -2.146 11.728) 12.386 6.531 ( 4.466 -0.456 -4.665) 6.474 7.029 ( -4.757 -6.793 30.882) 31.976 7.409 ( 3.286 2.642 4.188) 5.943 7.813 ( -9.875 5.913 1.537) 11.612 8.052 ( 2.272 -2.851 -13.395) 13.882 8.414 ( 6.885 -1.121 -21.984) 23.064 9.431 ( 4.111 -8.948 -0.423) 9.856 9.791 ( -0.786 3.298 -2.993) 4.523 9.951 ( 5.507 -3.264 -4.597) 7.882 9.968 ( 0.058 6.121 -9.424) 11.237 10.344 ( -1.599 -8.506 -1.028) 8.716 10.911 ( 3.245 1.883 -4.381) 5.768 11.448 ( -2.960 1.044 17.689) 17.965 11.823 ( -10.781 0.950 12.080) 16.219 12.833 ( 6.698 1.641 -5.963) 9.117 13.262 ( 3.001 -0.735 -10.265) 10.720 13.723 ( 0.122 0.075 -3.233) 3.236 14.180 ( -0.318 19.495 13.238) 23.567 15.039 ( 5.223 -2.619 -24.256) 24.949 15.171 ( 8.661 -7.447 -6.126) 12.962 16.281 ( -4.386 -2.067 16.743) 17.431 16.523 ( -5.098 -0.089 12.697) 13.682 16.609 ( -0.399 -1.881 16.316) 16.429 16.801 ( -3.397 -1.294 8.025) 8.810 19.839 ( 2.439 0.983 0.598) 2.697 20.821 ( -2.250 2.150 0.489) 3.150 21.856 ( 8.610 -3.700 -25.496) 27.163 22.412 ( 2.614 1.562 -16.633) 16.910 27.620 ( -16.624 -6.839 41.019) 44.785 27.978 ( 0.237 11.822 48.210) 49.639 29.889 ( -4.158 -3.084 -3.307) 6.143 30.622 ( -0.681 -3.528 -10.122) 10.740 31.045 ( -2.855 1.194 3.685) 4.812 31.145 ( -1.915 -0.793 10.842) 11.038 32.380 ( 22.584 -1.766 -6.082) 23.455 32.808 ( -5.571 2.880 -20.504) 21.442 35.352 ( 3.154 -4.040 1.364) 5.304 35.610 ( 7.545 -10.763 -0.765) 13.166 36.539 ( 0.378 4.554 6.558) 7.993 37.792 ( -7.311 6.312 -27.187) 28.851 ======================= Grid point 234 (123/201) ======================= q-point: (-0.12 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -17.574 -5.288 -1.605) 18.422 2.139 ( -20.789 1.187 13.191) 24.649 2.458 ( -1.451 10.159 13.183) 16.706 3.333 ( 0.454 -8.585 3.823) 9.409 3.567 ( 2.714 3.708 -1.103) 4.726 3.776 ( 1.184 4.922 2.036) 5.456 4.113 ( 2.523 -8.867 0.030) 9.219 4.354 ( -2.555 -6.718 -12.686) 14.580 4.941 ( -2.151 -1.075 4.527) 5.126 5.300 ( -5.105 6.770 26.995) 28.295 5.378 ( -10.004 3.393 26.735) 28.747 5.482 ( -6.036 2.101 6.008) 8.772 6.275 ( -7.082 2.443 28.971) 29.924 6.368 ( -4.305 -1.281 11.442) 12.292 6.558 ( 3.267 1.132 -1.398) 3.730 7.180 ( -5.755 -4.531 30.209) 31.084 7.410 ( -4.860 0.329 8.980) 10.217 7.622 ( -3.260 6.812 -3.952) 8.524 8.100 ( 6.060 -4.467 -14.025) 15.918 8.423 ( 5.936 -0.764 -19.699) 20.588 9.625 ( 5.379 -9.298 -2.221) 10.969 9.723 ( 1.126 4.812 -1.486) 5.161 9.824 ( -1.245 6.144 -11.254) 12.882 10.048 ( 4.225 -4.282 -4.885) 7.749 10.445 ( -0.706 -7.708 -0.685) 7.770 10.886 ( 1.379 3.607 -3.519) 5.225 11.484 ( -2.600 -0.185 19.710) 19.882 11.715 ( -10.393 1.699 11.447) 15.554 12.873 ( 8.868 3.289 -6.244) 11.333 13.237 ( -0.863 -0.371 -11.463) 11.502 13.726 ( -1.526 -2.996 0.103) 3.364 13.982 ( -0.273 15.058 11.327) 18.845 15.013 ( 2.830 0.252 -18.240) 18.460 15.327 ( 11.232 -3.367 -17.685) 21.220 16.343 ( -3.669 -3.038 17.998) 18.617 16.495 ( -6.016 0.990 11.661) 13.159 16.673 ( -1.914 1.301 16.608) 16.768 16.821 ( -2.535 -2.051 7.216) 7.918 19.846 ( 1.230 2.281 2.846) 3.850 20.779 ( -0.759 1.019 0.343) 1.316 21.933 ( 10.330 -4.588 -24.145) 26.660 22.344 ( 2.511 2.186 -17.435) 17.750 27.671 ( -18.325 -7.037 41.631) 46.027 27.976 ( -0.648 16.745 46.015) 48.972 29.923 ( 3.657 -2.436 0.270) 4.402 30.628 ( -1.888 -6.316 -11.195) 12.991 31.020 ( 0.241 1.471 1.723) 2.279 31.178 ( -3.519 -1.319 13.858) 14.359 32.447 ( -8.163 3.725 -19.795) 21.734 32.769 ( 17.928 -1.039 -9.742) 20.430 35.475 ( 5.316 -4.546 2.533) 7.439 35.833 ( 4.845 -6.109 1.064) 7.870 36.479 ( -2.288 5.161 1.747) 5.910 37.523 ( -3.841 1.848 -26.665) 27.004 ======================= Grid point 240 (124/201) ======================= q-point: (-0.38 -0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -20.204 0.000 9.817) 22.463 2.520 ( -21.503 0.000 11.170) 24.231 2.705 ( -2.343 0.000 9.878) 10.152 3.319 ( -21.785 0.000 3.182) 22.016 3.616 ( 2.654 -0.000 -2.578) 3.700 3.754 ( 4.432 -0.000 -0.366) 4.447 3.784 ( 3.031 -0.000 -2.875) 4.178 4.310 ( -6.930 0.000 -9.971) 12.142 4.897 ( 1.088 -0.000 7.816) 7.891 5.470 ( -12.586 0.000 38.649) 40.647 5.536 ( -7.153 0.000 30.951) 31.767 5.547 ( -3.508 0.000 -2.994) 4.612 6.296 ( 2.831 -0.000 1.525) 3.215 6.342 ( 0.656 -0.000 23.416) 23.425 6.484 ( 3.919 -0.000 -5.603) 6.837 6.917 ( -5.974 0.000 38.443) 38.905 7.471 ( 4.004 -0.000 4.929) 6.350 7.902 ( -12.011 0.000 1.799) 12.145 8.008 ( 1.401 -0.000 -13.955) 14.026 8.385 ( 7.612 -0.000 -27.558) 28.590 9.290 ( 2.233 -0.000 -0.309) 2.254 9.843 ( 3.167 -0.000 -8.194) 8.785 9.903 ( 2.318 -0.000 4.363) 4.940 10.103 ( 0.095 -0.000 -17.166) 17.167 10.161 ( -0.840 0.000 4.535) 4.612 10.936 ( 4.289 -0.000 -5.716) 7.146 11.468 ( -2.820 0.000 17.099) 17.330 11.832 ( -11.296 0.000 12.544) 16.881 12.852 ( 6.771 -0.000 -5.704) 8.853 13.254 ( 3.465 -0.000 -8.906) 9.557 13.742 ( 1.386 -0.000 -6.144) 6.299 14.664 ( 2.655 -0.000 -4.037) 4.832 14.892 ( 6.529 -0.000 18.122) 19.263 14.991 ( 6.259 -0.000 -25.383) 26.143 16.257 ( -4.444 0.000 15.155) 15.793 16.516 ( -1.830 0.000 7.915) 8.123 16.564 ( -1.737 0.000 22.568) 22.635 16.789 ( -4.081 0.000 8.643) 9.558 19.856 ( 4.464 -0.000 -1.182) 4.618 20.859 ( -2.954 0.000 1.036) 3.131 21.793 ( 7.736 -0.000 -27.079) 28.162 22.432 ( 2.025 -0.000 -15.721) 15.851 27.522 ( -14.598 0.000 40.039) 42.617 28.182 ( 6.901 -0.000 52.719) 53.169 29.821 ( -8.139 0.000 -4.068) 9.099 30.570 ( -1.846 0.000 -11.271) 11.422 31.062 ( -3.343 0.000 4.651) 5.728 31.134 ( -1.792 0.000 10.305) 10.460 32.356 ( 23.681 -0.000 -5.179) 24.241 32.858 ( -4.015 0.000 -20.820) 21.204 35.307 ( 6.549 -0.000 2.120) 6.884 35.413 ( 4.505 -0.000 -1.758) 4.835 36.610 ( -0.140 0.000 7.791) 7.792 37.885 ( -9.758 0.000 -28.043) 29.692 ======================= Grid point 241 (125/201) ======================= q-point: (-0.25 -0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -20.418 7.011 10.183) 23.869 2.210 ( -32.773 4.853 9.723) 34.527 2.716 ( 0.478 4.800 12.042) 12.973 3.079 ( -17.740 -8.009 6.450) 20.505 3.652 ( 1.187 0.823 -6.635) 6.791 3.784 ( 3.696 -1.735 4.534) 6.102 3.895 ( 4.553 -5.588 -2.625) 7.671 4.223 ( -3.053 -2.480 -8.845) 9.680 4.917 ( -1.340 1.962 5.680) 6.157 5.440 ( -8.815 3.129 21.193) 23.165 5.492 ( -8.236 -0.564 15.193) 17.291 5.535 ( -10.663 3.405 33.884) 35.685 6.311 ( -4.465 -1.641 7.672) 9.027 6.408 ( 3.737 5.327 16.109) 17.374 6.572 ( 6.852 -1.319 -3.950) 8.018 7.029 ( -6.887 -3.615 38.096) 38.882 7.491 ( -1.861 3.005 7.960) 8.709 7.752 ( -6.343 2.431 -3.988) 7.877 7.994 ( 3.614 -2.364 -14.211) 14.852 8.376 ( 7.263 -1.869 -27.028) 28.050 9.351 ( 1.351 -6.361 -1.416) 6.655 9.824 ( 0.657 2.641 -2.512) 3.704 9.959 ( 3.060 -1.322 -3.354) 4.728 10.013 ( 2.244 3.866 -10.211) 11.146 10.231 ( 0.789 -5.886 1.017) 6.025 10.952 ( 3.166 1.175 -6.016) 6.899 11.501 ( -3.052 0.729 18.397) 18.663 11.735 ( -11.242 0.063 11.372) 15.991 12.924 ( 8.856 0.594 -6.278) 10.871 13.239 ( 0.225 0.269 -8.935) 8.942 13.723 ( 0.878 1.124 -5.479) 5.661 14.514 ( 1.277 18.416 5.624) 19.298 14.983 ( 6.873 -1.356 -24.224) 25.216 15.147 ( 9.229 -9.062 -0.417) 12.941 16.280 ( -3.322 -1.062 16.129) 16.502 16.523 ( -2.751 0.721 9.996) 10.392 16.669 ( 0.421 -1.375 23.743) 23.787 16.776 ( -3.831 -0.600 8.040) 8.926 19.903 ( 4.230 1.328 0.528) 4.464 20.817 ( -2.665 1.225 1.307) 3.211 21.808 ( 9.228 -3.209 -27.037) 28.749 22.381 ( 1.277 0.533 -16.229) 16.288 27.521 ( -15.429 -2.817 39.827) 42.804 28.477 ( 15.498 14.199 54.683) 58.584 29.780 ( -1.422 -6.098 -0.527) 6.284 30.495 ( -3.349 -2.621 -14.400) 15.015 31.047 ( -1.622 0.421 4.594) 4.890 31.153 ( -3.237 -0.415 12.447) 12.868 32.535 ( 2.382 1.838 -17.408) 17.666 32.773 ( 12.492 0.833 -11.775) 17.187 35.400 ( 7.247 0.359 1.779) 7.471 35.568 ( 8.622 -9.711 -0.085) 12.986 36.596 ( -3.748 2.614 6.228) 7.724 37.583 ( -15.146 1.524 -29.636) 33.317 ======================= Grid point 242 (126/201) ======================= q-point: (-0.12 -0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -30.952 4.789 10.349) 32.986 1.884 ( -20.476 -3.743 11.852) 23.953 2.686 ( 2.254 8.147 12.251) 14.884 3.138 ( -8.123 -15.631 8.250) 19.452 3.595 ( -0.455 2.563 -8.280) 8.679 3.868 ( 2.198 -0.045 4.882) 5.354 4.021 ( 2.437 -6.666 -0.577) 7.121 4.216 ( 0.600 -3.419 -8.002) 8.723 4.866 ( -4.738 1.275 4.052) 6.363 5.363 ( -7.462 0.851 7.830) 10.850 5.464 ( -11.551 5.422 30.689) 33.236 5.475 ( -8.401 2.371 30.389) 31.618 6.309 ( -6.687 -1.539 14.760) 16.277 6.428 ( 0.688 5.456 12.422) 13.585 6.615 ( 4.007 1.830 -2.256) 4.949 7.153 ( -7.931 -5.440 34.546) 35.860 7.413 ( -8.423 4.491 14.024) 16.964 7.658 ( 2.436 3.877 -9.446) 10.497 8.053 ( 6.969 -5.031 -14.962) 17.256 8.391 ( 6.585 -2.233 -22.688) 23.730 9.489 ( 1.211 -11.945 -4.472) 12.812 9.786 ( 2.071 3.412 -1.546) 4.280 9.906 ( 2.829 6.102 -11.210) 13.073 10.031 ( 3.042 -1.195 -2.040) 3.853 10.338 ( 0.419 -7.158 1.582) 7.343 10.930 ( 1.712 2.753 -6.240) 7.032 11.520 ( -5.992 0.353 18.961) 19.888 11.660 ( -6.853 0.072 12.370) 14.142 12.997 ( 8.876 1.339 -7.958) 11.996 13.177 ( -1.838 1.289 -9.138) 9.410 13.694 ( -0.213 0.622 -3.407) 3.469 14.283 ( 0.404 19.607 8.928) 21.548 14.987 ( 6.382 -0.486 -20.461) 21.439 15.328 ( 8.921 -4.771 -14.592) 17.756 16.337 ( -2.982 -2.441 16.681) 17.120 16.505 ( -3.790 2.539 12.227) 13.051 16.738 ( -3.267 1.377 12.879) 13.358 16.817 ( 0.673 -0.946 14.978) 15.023 19.924 ( 2.781 3.068 2.683) 4.934 20.778 ( -1.712 0.690 1.202) 2.203 21.886 ( 10.517 -5.599 -26.365) 28.932 22.318 ( 1.615 0.783 -16.614) 16.710 27.539 ( -16.340 -4.457 39.724) 43.183 28.567 ( 11.162 28.892 48.735) 57.744 29.960 ( 10.663 -6.719 6.417) 14.143 30.453 ( -2.697 -5.760 -13.970) 15.350 31.050 ( 0.240 0.275 3.747) 3.765 31.170 ( -3.779 -0.919 12.755) 13.335 32.277 ( -13.632 5.537 -23.063) 27.357 32.972 ( 19.288 0.035 -9.316) 21.420 35.524 ( 8.461 -2.809 2.369) 9.225 35.820 ( 6.985 -7.399 1.730) 10.321 36.498 ( -6.535 4.582 1.348) 8.095 37.282 ( -11.773 -5.502 -28.125) 30.983 ======================= Grid point 249 (127/201) ======================= q-point: (-0.25 -0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -32.838 0.000 12.546) 35.153 1.991 ( -25.489 0.000 14.520) 29.334 2.711 ( -23.187 0.000 10.731) 25.550 2.825 ( 2.900 -0.000 11.457) 11.819 3.662 ( 0.950 -0.000 -2.283) 2.473 3.818 ( 0.410 -0.000 -5.505) 5.520 3.914 ( 6.764 -0.000 3.905) 7.811 4.179 ( 3.420 -0.000 -5.912) 6.830 4.959 ( -0.144 0.000 4.524) 4.527 5.361 ( -7.449 0.000 -3.559) 8.256 5.507 ( -11.777 0.000 41.282) 42.929 5.545 ( -14.598 0.000 37.796) 40.517 6.266 ( -4.378 0.000 5.376) 6.934 6.527 ( -4.576 0.000 15.682) 16.336 6.648 ( 9.177 -0.000 -6.195) 11.072 7.067 ( -9.080 0.000 39.939) 40.958 7.492 ( -7.839 0.000 11.503) 13.920 7.733 ( 4.582 -0.000 -6.658) 8.082 7.963 ( 4.604 -0.000 -15.552) 16.219 8.336 ( 8.237 -0.000 -29.663) 30.785 9.294 ( -0.601 0.000 -3.808) 3.855 9.848 ( 1.590 -0.000 -1.946) 2.513 9.948 ( 1.199 -0.000 -9.431) 9.507 10.061 ( 4.376 -0.000 0.208) 4.381 10.213 ( 2.043 -0.000 -0.748) 2.176 10.970 ( 2.498 -0.000 -7.221) 7.640 11.531 ( -6.426 0.000 18.689) 19.763 11.656 ( -7.452 0.000 11.989) 14.116 13.010 ( 7.679 -0.000 -7.605) 10.807 13.201 ( -0.468 0.000 -7.817) 7.831 13.720 ( 1.053 -0.000 -6.159) 6.249 14.670 ( -0.127 0.000 -1.927) 1.931 14.973 ( 9.506 -0.000 -26.704) 28.346 15.198 ( 8.990 -0.000 0.304) 8.995 16.301 ( -2.583 0.000 14.931) 15.153 16.551 ( -0.922 0.000 9.420) 9.465 16.752 ( -4.484 0.000 7.793) 8.991 16.799 ( 3.681 -0.000 29.044) 29.276 19.974 ( 4.323 -0.000 1.212) 4.490 20.798 ( -2.839 0.000 1.833) 3.379 21.786 ( 9.739 -0.000 -27.673) 29.337 22.328 ( 0.874 -0.000 -16.199) 16.222 27.475 ( -15.139 0.000 38.955) 41.794 29.205 ( 38.025 -0.000 58.235) 69.550 29.693 ( -0.960 0.000 -0.148) 0.971 30.368 ( -2.747 0.000 -15.143) 15.390 31.050 ( -1.564 0.000 5.413) 5.634 31.158 ( -3.937 0.000 12.865) 13.454 32.379 ( -11.423 0.000 -25.156) 27.628 32.975 ( 19.763 -0.000 -8.582) 21.546 35.561 ( 10.424 -0.000 3.259) 10.921 35.563 ( 7.454 -0.000 -0.720) 7.489 36.567 ( -7.352 0.000 5.310) 9.069 37.212 ( -23.013 0.000 -30.202) 37.970 ======================= Grid point 250 (128/201) ======================= q-point: (-0.12 -0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -32.503 4.942 20.437) 38.711 1.689 ( -19.611 3.380 18.305) 27.038 2.663 ( -12.151 -13.403 13.819) 22.765 2.944 ( 3.635 -4.857 9.903) 11.614 3.593 ( -3.051 5.000 -5.869) 8.292 3.834 ( -1.402 -5.646 -1.635) 6.043 4.029 ( 5.636 -0.957 3.407) 6.655 4.226 ( 6.899 0.973 -4.235) 8.154 4.919 ( -0.858 6.963 3.261) 7.736 5.266 ( -6.854 -1.211 -0.973) 7.028 5.474 ( -17.269 1.837 38.328) 42.079 5.539 ( -9.841 1.432 37.273) 38.577 6.255 ( -4.781 -2.185 9.455) 10.819 6.463 ( -12.337 0.860 16.101) 20.302 6.712 ( 7.089 2.264 -4.125) 8.508 7.141 ( -7.336 -2.934 32.855) 33.792 7.412 ( -9.895 2.288 16.832) 19.658 7.745 ( 6.914 6.232 -9.693) 13.438 8.008 ( 7.096 -5.286 -15.705) 18.026 8.347 ( 8.879 -2.573 -26.076) 27.666 9.319 ( -0.811 -8.026 -6.981) 10.668 9.854 ( 3.076 1.999 -1.721) 4.052 9.926 ( 2.614 0.272 -10.429) 10.755 10.101 ( 3.964 3.300 1.609) 5.403 10.270 ( 1.210 -5.020 1.789) 5.465 10.950 ( 1.386 1.616 -8.415) 8.680 11.488 ( -10.387 0.143 16.804) 19.756 11.664 ( -2.090 -0.473 15.230) 15.380 13.017 ( -1.910 0.059 -8.886) 9.089 13.193 ( 6.878 1.474 -7.916) 10.590 13.697 ( 0.872 1.433 -5.437) 5.690 14.554 ( -0.261 13.470 1.066) 13.514 14.990 ( 9.578 -0.351 -24.313) 26.134 15.309 ( 6.193 -3.369 -11.602) 13.576 16.338 ( -3.015 -1.277 14.359) 14.728 16.567 ( -0.841 2.455 11.534) 11.822 16.724 ( -4.960 -0.072 7.379) 8.892 16.965 ( 5.139 2.965 24.007) 24.729 20.010 ( 2.197 2.326 2.702) 4.187 20.764 ( -2.747 0.383 1.716) 3.261 21.830 ( 10.365 -4.440 -27.345) 29.579 22.272 ( 1.553 -0.026 -16.383) 16.456 27.459 ( -15.298 -1.956 38.338) 41.324 29.398 ( 12.563 32.871 25.109) 43.230 30.140 ( 32.366 -7.347 25.758) 42.012 30.314 ( 1.001 -2.970 -12.399) 12.789 31.057 ( -1.828 -0.758 6.237) 6.544 31.170 ( -2.207 -0.991 11.350) 11.605 32.044 ( -18.356 4.021 -25.568) 31.731 33.155 ( 14.859 0.476 -11.367) 18.715 35.625 ( 8.465 0.420 1.532) 8.613 35.813 ( 8.610 -9.042 2.338) 12.703 36.452 ( -9.831 3.207 0.657) 10.362 36.839 ( -20.907 -10.043 -24.624) 33.827 ======================= Grid point 258 (129/201) ======================= q-point: (-0.12 -0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -12.711 0.000 31.001) 33.506 1.557 ( -20.127 0.000 26.119) 32.974 2.493 ( -4.911 0.000 19.506) 20.115 3.000 ( 4.426 -0.000 4.082) 6.021 3.575 ( -7.447 0.000 1.133) 7.533 3.734 ( -1.494 0.000 -5.286) 5.493 4.121 ( 6.339 -0.000 2.727) 6.901 4.335 ( 9.120 -0.000 -2.106) 9.360 4.998 ( 1.466 -0.000 0.679) 1.616 5.173 ( -5.101 0.000 -1.390) 5.287 5.415 ( -18.617 0.000 36.544) 41.013 5.572 ( -11.844 0.000 39.240) 40.989 6.225 ( -2.287 0.000 7.296) 7.646 6.343 ( -18.469 0.000 27.510) 33.135 6.786 ( 5.514 -0.000 -6.221) 8.313 7.144 ( -7.950 0.000 23.343) 24.659 7.380 ( -10.257 0.000 24.768) 26.808 7.882 ( 6.784 -0.000 -7.510) 10.121 7.955 ( 6.163 -0.000 -18.671) 19.662 8.345 ( 11.380 -0.000 -26.375) 28.725 9.214 ( -1.132 0.000 -7.988) 8.068 9.889 ( 2.526 -0.000 -6.219) 6.713 9.929 ( 3.486 -0.000 -8.193) 8.904 10.202 ( 4.067 -0.000 4.674) 6.196 10.255 ( 2.268 -0.000 3.571) 4.231 10.935 ( 0.511 -0.000 -10.269) 10.281 11.430 ( -9.604 0.000 17.431) 19.902 11.701 ( -2.123 0.000 15.309) 15.455 12.922 ( -6.413 0.000 -7.481) 9.854 13.276 ( 9.227 -0.000 -9.671) 13.367 13.700 ( 1.580 -0.000 -5.893) 6.101 14.635 ( -0.720 0.000 -3.180) 3.261 15.010 ( 10.741 -0.000 -26.017) 28.147 15.295 ( 2.806 -0.000 -12.322) 12.638 16.347 ( -3.411 0.000 13.500) 13.925 16.626 ( -0.367 0.000 9.290) 9.297 16.691 ( -5.020 0.000 8.919) 10.235 17.165 ( 4.812 -0.000 18.869) 19.473 20.050 ( -1.279 0.000 3.453) 3.682 20.733 ( -3.306 0.000 1.495) 3.628 21.814 ( 10.521 -0.000 -26.548) 28.557 22.224 ( 2.232 -0.000 -16.665) 16.814 27.414 ( -14.905 0.000 37.263) 40.134 29.688 ( -0.493 0.000 -2.190) 2.244 30.303 ( 7.063 -0.000 -7.353) 10.196 30.882 ( 41.314 -0.000 19.328) 45.612 31.043 ( -3.476 0.000 7.267) 8.056 31.173 ( -2.877 0.000 11.962) 12.303 31.716 ( -13.580 0.000 -17.957) 22.514 33.253 ( 8.057 -0.000 -14.300) 16.413 35.744 ( 5.999 -0.000 0.550) 6.024 35.838 ( 7.995 -0.000 3.163) 8.598 36.350 ( -11.120 0.000 1.764) 11.259 36.384 ( -17.905 0.000 -13.952) 22.699 ======================= Grid point 259 (130/201) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -5.813 0.000 31.295) 31.831 2.240 ( 15.505 -0.000 18.692) 24.285 2.868 ( -5.652 0.000 -6.908) 8.925 3.047 ( 11.518 -0.000 7.012) 13.484 3.559 ( -6.455 0.000 6.701) 9.305 3.660 ( 2.760 -0.000 0.193) 2.766 4.249 ( 5.619 -0.000 -2.158) 6.019 4.547 ( 7.561 -0.000 -2.865) 8.086 4.757 ( -2.298 0.000 -7.125) 7.486 5.001 ( -7.479 0.000 -2.491) 7.883 5.708 ( -13.896 0.000 24.883) 28.501 6.180 ( -9.081 0.000 21.702) 23.526 6.469 ( 3.213 -0.000 7.929) 8.555 6.665 ( 1.444 -0.000 -7.913) 8.044 7.007 ( -4.060 0.000 20.834) 21.226 7.384 ( -5.234 0.000 10.262) 11.519 7.640 ( 8.342 -0.000 -17.740) 19.604 7.808 ( -9.602 0.000 24.812) 26.605 8.013 ( 13.220 -0.000 -21.401) 25.155 8.068 ( -17.651 0.000 35.326) 39.490 8.974 ( 1.833 -0.000 -7.517) 7.738 9.590 ( -2.358 0.000 -8.314) 8.641 9.788 ( 6.955 -0.000 -14.324) 15.923 10.265 ( 0.890 -0.000 -13.503) 13.532 10.629 ( 4.170 -0.000 8.575) 9.535 10.636 ( 0.315 -0.000 -2.371) 2.392 11.798 ( -3.472 0.000 20.836) 21.124 11.977 ( -7.047 0.000 13.902) 15.586 12.605 ( -3.386 0.000 -5.732) 6.658 13.084 ( 7.117 -0.000 -18.833) 20.132 13.621 ( 1.516 -0.000 -2.398) 2.837 14.297 ( 5.441 -0.000 -22.945) 23.581 14.793 ( 4.134 -0.000 -4.663) 6.232 14.978 ( -1.647 0.000 -8.252) 8.415 16.606 ( -2.081 0.000 10.196) 10.406 16.669 ( -5.336 0.000 4.779) 7.164 17.016 ( -0.754 0.000 13.310) 13.332 17.367 ( -8.091 0.000 5.059) 9.542 20.124 ( -12.197 0.000 14.099) 18.642 20.751 ( -2.455 0.000 6.744) 7.177 21.429 ( 15.837 -0.000 -24.754) 29.386 21.763 ( 4.935 -0.000 -22.767) 23.296 28.040 ( -14.749 0.000 35.017) 37.997 29.486 ( 5.643 -0.000 -12.757) 13.949 30.042 ( -38.853 0.000 3.877) 39.046 30.454 ( 14.977 -0.000 -8.239) 17.094 31.283 ( -5.644 0.000 16.955) 17.870 31.497 ( -1.757 0.000 17.447) 17.536 32.190 ( 19.878 -0.000 -13.210) 23.867 32.727 ( -6.276 0.000 -22.054) 22.930 35.880 ( 1.024 -0.000 2.095) 2.332 36.002 ( -5.358 0.000 4.072) 6.730 36.075 ( -6.845 0.000 -2.357) 7.239 36.383 ( 22.963 -0.000 -6.175) 23.779 ======================= Grid point 260 (131/201) ======================= q-point: ( 0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 1.136 8.528 26.231) 27.606 2.597 ( 10.051 -9.824 14.782) 20.398 2.776 ( -0.361 1.254 -6.475) 6.605 3.161 ( 5.560 8.874 3.858) 11.160 3.556 ( 2.023 -5.667 1.876) 6.303 3.758 ( 2.021 -7.435 2.680) 8.158 4.251 ( 1.834 8.162 -1.549) 8.507 4.507 ( 0.792 2.999 -13.208) 13.567 4.765 ( 3.165 2.439 3.492) 5.307 4.904 ( -3.770 -1.027 -2.151) 4.460 5.670 ( -10.175 -1.218 28.029) 29.844 6.123 ( -11.775 1.486 17.646) 21.266 6.537 ( -2.159 -3.168 4.286) 5.751 6.658 ( 3.300 1.810 -3.342) 5.033 7.023 ( -4.198 1.680 15.577) 16.220 7.328 ( -1.481 3.856 0.478) 4.158 7.707 ( 5.551 -5.160 -15.182) 16.969 7.781 ( -10.349 1.515 32.748) 34.378 7.980 ( -10.972 1.486 28.082) 30.186 8.126 ( 5.166 -4.368 -10.412) 12.417 9.016 ( 2.486 -5.992 -6.588) 9.246 9.536 ( -1.490 -0.539 -6.324) 6.519 9.812 ( 7.511 0.952 -15.651) 17.386 10.216 ( -0.727 -1.195 -12.682) 12.759 10.591 ( 0.617 4.493 -1.126) 4.673 10.717 ( 1.496 -1.522 4.392) 4.883 11.844 ( -2.955 0.786 21.261) 21.480 11.953 ( -7.410 -1.337 14.295) 16.157 12.554 ( -0.182 0.099 -5.436) 5.440 13.076 ( 5.030 0.633 -19.008) 19.673 13.636 ( 1.428 -0.928 -1.451) 2.237 14.281 ( 4.785 -0.640 -18.935) 19.541 14.761 ( 1.137 6.732 -6.211) 9.230 14.947 ( 1.717 -1.522 -7.954) 8.278 16.625 ( -4.122 -0.699 8.400) 9.383 16.638 ( -3.107 -1.520 7.948) 8.668 17.043 ( -1.374 2.043 13.136) 13.365 17.234 ( -11.525 3.608 7.661) 14.301 20.017 ( -12.187 0.193 13.165) 17.941 20.767 ( -0.370 -0.360 7.070) 7.089 21.531 ( 15.087 0.214 -23.970) 28.324 21.751 ( 6.289 -2.298 -22.824) 23.786 28.029 ( -12.876 -2.893 34.780) 37.199 29.423 ( -13.718 11.442 8.433) 19.754 29.651 ( -12.835 -4.354 -1.966) 13.696 30.595 ( 12.014 0.145 -8.957) 14.986 31.250 ( -8.282 2.278 13.723) 16.190 31.551 ( -1.093 1.240 20.763) 20.829 32.288 ( 10.315 3.572 -16.367) 19.673 32.542 ( -4.709 1.400 -20.706) 21.281 35.794 ( -6.842 4.969 3.327) 9.087 35.963 ( -4.155 -2.726 3.721) 6.208 36.082 ( -2.066 -6.492 -4.987) 8.443 36.712 ( 25.654 -4.410 -11.290) 28.373 ======================= Grid point 261 (132/201) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 4.796 5.092 20.378) 21.546 2.625 ( -1.084 8.271 -0.658) 8.367 2.864 ( -8.902 0.164 6.621) 11.095 3.126 ( 12.689 0.715 6.108) 14.101 3.704 ( 4.952 -3.753 -0.282) 6.220 3.868 ( -3.222 -0.788 0.852) 3.425 4.129 ( 6.914 5.469 -2.036) 9.048 4.430 ( -2.140 2.134 -14.865) 15.169 4.721 ( 1.561 2.353 0.267) 2.836 5.001 ( 7.083 -5.535 3.502) 9.647 5.724 ( -5.738 -3.164 29.167) 29.894 5.967 ( -15.821 4.427 9.804) 19.132 6.503 ( -8.358 -1.131 -1.165) 8.515 6.666 ( 3.576 3.558 1.937) 5.404 6.992 ( -5.542 3.172 17.340) 18.478 7.277 ( 1.746 0.991 -6.263) 6.576 7.750 ( -0.587 -2.235 -0.048) 2.311 7.776 ( -11.482 -2.278 20.487) 23.596 8.019 ( -3.305 -1.454 34.131) 34.321 8.174 ( 3.354 -0.955 -10.722) 11.275 9.135 ( 2.646 -9.884 -7.601) 12.746 9.521 ( -0.533 -2.125 -2.815) 3.567 9.814 ( 7.363 2.897 -15.791) 17.663 10.171 ( -1.757 -0.386 -7.635) 7.844 10.528 ( 1.287 3.922 -3.945) 5.710 10.745 ( 0.008 -0.139 -0.567) 0.584 11.867 ( -6.193 0.009 18.959) 19.945 11.952 ( -4.440 0.027 16.727) 17.306 12.561 ( 4.063 -1.155 -6.356) 7.632 13.036 ( 2.618 0.665 -18.035) 18.236 13.682 ( 0.970 -3.810 1.175) 4.103 14.242 ( 1.404 5.824 -6.826) 9.082 14.642 ( -0.422 2.366 -11.874) 12.115 14.975 ( 6.446 0.064 -10.928) 12.688 16.611 ( -4.747 -1.762 7.369) 8.941 16.680 ( -1.910 -1.986 11.190) 11.524 17.033 ( -4.556 3.691 14.475) 15.618 17.074 ( -8.986 2.817 7.906) 12.296 19.939 ( -9.203 -1.251 12.357) 15.458 20.803 ( 0.344 -0.132 7.402) 7.411 21.577 ( 11.973 2.740 -26.000) 28.755 21.801 ( 8.561 -4.166 -21.755) 23.747 28.101 ( -9.762 -7.051 35.547) 37.532 29.035 ( -25.797 11.794 28.889) 40.487 29.699 ( 8.096 -3.571 -10.621) 13.824 30.675 ( 9.576 2.974 -9.829) 14.041 31.123 ( -10.459 4.198 8.090) 13.873 31.602 ( -2.721 1.729 22.783) 23.010 32.189 ( -8.686 -0.256 -19.932) 21.744 32.480 ( 12.482 3.387 -15.958) 20.541 35.689 ( -2.852 2.853 4.702) 6.195 35.949 ( -2.647 0.137 1.915) 3.270 36.138 ( -5.859 -10.990 -4.414) 13.214 37.002 ( 21.101 -1.352 -15.779) 26.383 ======================= Grid point 262 (133/201) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 2.011 8.764 5.000) 10.288 2.491 ( -1.941 6.766 11.610) 13.577 2.668 ( -11.222 5.521 9.870) 15.933 3.379 ( 10.175 -6.084 2.991) 12.227 3.705 ( -6.911 7.903 2.007) 10.689 3.753 ( 1.263 1.683 -0.687) 2.213 4.234 ( 7.875 4.822 -14.053) 16.815 4.266 ( -3.158 1.080 -2.153) 3.972 4.843 ( 10.337 -8.035 1.500) 13.178 5.199 ( 7.364 -6.214 1.084) 9.697 5.669 ( -18.267 7.413 2.148) 19.831 5.848 ( -4.304 -3.348 29.503) 30.003 6.378 ( -9.498 -0.135 -2.852) 9.918 6.665 ( 2.629 3.105 1.792) 4.446 6.953 ( -6.595 3.207 23.063) 24.201 7.285 ( 3.362 -1.612 -10.670) 11.303 7.725 ( -13.766 -1.950 20.749) 24.977 7.783 ( -0.667 -2.083 4.247) 4.777 8.150 ( 2.211 1.450 -12.545) 12.820 8.166 ( -1.217 -0.059 34.894) 34.916 9.276 ( 2.425 -10.452 -11.920) 16.038 9.565 ( 0.434 -4.767 1.460) 5.004 9.784 ( 6.402 5.109 -12.163) 14.664 10.107 ( -1.542 2.934 -4.397) 5.507 10.495 ( 2.415 1.328 -5.429) 6.088 10.726 ( -0.103 0.402 -6.010) 6.024 11.851 ( -9.295 -1.497 16.029) 18.589 11.977 ( -1.096 2.401 19.041) 19.223 12.630 ( 7.517 -2.296 -8.871) 11.852 12.977 ( 0.122 -0.201 -15.726) 15.727 13.784 ( 0.329 -7.844 3.912) 8.772 14.085 ( -2.952 12.666 4.342) 13.711 14.613 ( 2.101 -4.389 -17.008) 17.691 15.005 ( 8.356 1.472 -14.923) 17.166 16.620 ( -4.063 -2.516 8.999) 10.189 16.727 ( -2.322 -0.671 12.379) 12.613 16.933 ( -9.118 1.038 10.731) 14.120 17.032 ( -2.141 2.334 10.597) 11.061 19.926 ( -5.907 -3.040 12.334) 14.009 20.837 ( 0.019 0.304 7.676) 7.682 21.555 ( 10.531 3.941 -28.517) 30.653 21.873 ( 8.358 -2.953 -21.190) 22.969 28.293 ( -5.619 -12.781 36.672) 39.240 28.714 ( -22.034 9.634 34.647) 42.175 29.826 ( 12.272 -1.947 -9.753) 15.796 30.627 ( 2.488 9.613 -12.575) 16.023 31.006 ( -5.144 -0.761 4.811) 7.084 31.615 ( -5.899 2.434 22.640) 23.522 31.978 ( -12.215 -1.679 -19.356) 22.949 32.574 ( 16.273 1.119 -15.179) 22.282 35.681 ( 3.829 2.918 6.206) 7.854 35.920 ( -2.726 -0.398 1.138) 2.981 36.188 ( -9.802 -12.531 -4.217) 16.459 37.143 ( 15.359 4.498 -17.624) 23.806 ======================= Grid point 263 (134/201) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -8.039 13.721 1.535) 15.976 2.381 ( -9.926 9.336 17.609) 22.266 2.711 ( 4.236 -7.898 15.521) 17.923 3.500 ( -0.463 2.913 -3.566) 4.628 3.519 ( -2.558 7.139 1.524) 7.735 3.765 ( 1.200 -3.416 -1.137) 3.795 4.115 ( -3.712 -0.872 -5.842) 6.977 4.264 ( 6.183 8.481 -3.563) 11.083 5.056 ( -0.084 2.922 3.946) 4.911 5.317 ( 1.638 -2.755 -2.857) 4.294 5.446 ( -4.039 -6.223 3.599) 8.245 5.959 ( -4.964 -3.325 26.301) 26.971 6.287 ( -4.545 -2.731 -3.951) 6.613 6.664 ( 2.710 2.412 0.602) 3.677 6.934 ( -6.868 1.854 25.570) 26.542 7.294 ( 1.984 -1.546 -13.194) 13.431 7.667 ( -12.945 -1.717 21.040) 24.763 7.822 ( -0.886 -1.227 6.212) 6.393 8.082 ( 2.125 4.656 -8.135) 9.611 8.274 ( -2.483 1.678 29.604) 29.755 9.359 ( 1.365 -5.972 -18.361) 19.357 9.650 ( 2.823 -1.369 -0.974) 3.285 9.777 ( 5.172 -0.524 0.418) 5.216 10.014 ( -1.405 4.426 -5.377) 7.104 10.498 ( 2.984 0.985 -3.019) 4.357 10.692 ( 0.853 -0.256 -11.041) 11.076 11.815 ( -9.691 -1.443 14.985) 17.903 12.013 ( -0.144 3.082 19.265) 19.511 12.726 ( 8.925 -2.171 -12.748) 15.713 12.921 ( -1.431 -2.041 -12.401) 12.650 13.860 ( -2.342 8.860 5.138) 10.507 13.972 ( -1.563 -9.311 5.708) 11.033 14.640 ( 3.962 -3.166 -16.016) 16.800 15.020 ( 7.501 0.842 -17.786) 19.322 16.654 ( -3.465 -3.022 10.505) 11.467 16.723 ( -3.929 2.476 12.904) 13.714 16.888 ( -4.986 -0.608 7.665) 9.165 17.042 ( -1.812 -1.597 11.827) 12.071 19.974 ( -3.509 -4.471 12.783) 13.990 20.856 ( -1.171 0.673 7.889) 8.004 21.500 ( 10.364 4.911 -30.424) 32.514 21.910 ( 6.966 -1.076 -21.285) 22.421 28.479 ( -19.238 6.822 38.052) 43.181 28.638 ( -1.013 -18.849 33.864) 38.769 29.985 ( 15.067 -1.034 -8.750) 17.454 30.413 ( -1.643 9.654 -14.153) 17.211 31.042 ( 1.146 -3.242 4.497) 5.661 31.577 ( -8.682 2.734 21.288) 23.153 31.769 ( -11.680 -1.790 -18.237) 21.731 32.715 ( 15.327 -1.116 -15.803) 22.042 35.736 ( 9.010 5.594 6.009) 12.190 35.913 ( -2.666 -3.145 2.049) 4.604 36.196 ( -12.954 -11.934 -5.021) 18.315 37.121 ( 9.904 10.933 -17.244) 22.693 ======================= Grid point 264 (135/201) ======================= q-point: (-0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -10.401 5.252 12.926) 17.402 2.213 ( -7.525 9.027 22.418) 25.312 2.971 ( 4.358 -8.105 16.150) 18.588 3.295 ( -8.631 4.833 -5.810) 11.472 3.449 ( 0.429 8.505 0.211) 8.519 3.853 ( 4.052 -4.898 -5.462) 8.381 4.109 ( -2.656 -2.538 1.343) 3.911 4.180 ( 3.389 7.491 -2.809) 8.689 4.869 ( -7.281 6.615 1.199) 9.910 5.306 ( -4.360 1.238 -0.624) 4.575 5.661 ( 1.022 -12.095 9.654) 15.509 6.047 ( -4.231 -3.638 21.883) 22.583 6.298 ( 0.924 -3.393 -3.527) 4.981 6.680 ( 3.430 1.131 0.340) 3.627 6.945 ( -5.687 0.417 24.719) 25.368 7.268 ( -0.390 -2.081 -13.384) 13.551 7.629 ( -10.629 -1.774 21.552) 24.096 7.834 ( 0.820 1.541 -0.601) 1.846 8.021 ( 2.194 4.510 -2.454) 5.583 8.303 ( -5.157 4.476 27.859) 28.684 9.309 ( 0.491 2.887 -18.667) 18.895 9.679 ( 5.756 0.896 -6.293) 8.575 9.867 ( -1.228 2.779 0.509) 3.081 9.967 ( 2.957 -6.550 0.169) 7.189 10.508 ( 3.762 3.232 0.361) 4.972 10.664 ( 1.226 -1.621 -14.143) 14.289 11.778 ( -8.756 -1.045 15.519) 17.849 12.041 ( -1.239 3.314 18.128) 18.470 12.776 ( 2.612 -1.417 -13.599) 13.920 12.921 ( 4.150 -3.542 -11.992) 13.175 13.716 ( -2.226 7.491 4.001) 8.780 14.157 ( -0.124 -13.123 1.055) 13.166 14.660 ( 5.756 -0.013 -14.429) 15.534 15.025 ( 4.436 -1.413 -17.352) 17.966 16.655 ( -4.381 2.018 10.450) 11.509 16.745 ( -1.184 -2.662 13.599) 13.907 16.852 ( -4.498 1.113 5.593) 7.263 17.135 ( -0.879 -6.242 11.874) 13.444 20.060 ( -2.647 -5.066 13.235) 14.416 20.853 ( -2.997 0.834 7.901) 8.491 21.429 ( 10.923 5.543 -31.095) 33.421 21.903 ( 5.654 0.440 -21.677) 22.407 28.317 ( -17.387 5.600 37.701) 41.893 29.076 ( 0.617 -22.802 24.970) 33.820 30.063 ( 5.870 4.702 -17.729) 19.259 30.376 ( 12.819 -4.891 -1.937) 13.856 31.135 ( 2.386 -2.900 6.527) 7.530 31.508 ( -9.929 2.017 19.457) 21.937 31.579 ( -8.387 -0.421 -15.908) 17.988 32.843 ( 11.539 -2.043 -17.328) 20.918 35.782 ( 8.245 6.509 3.547) 11.087 35.966 ( 0.858 -3.471 4.497) 5.745 36.150 ( -13.659 -9.423 -6.614) 17.863 36.947 ( 4.365 16.809 -14.259) 22.470 ======================= Grid point 265 (136/201) ======================= q-point: (-0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -6.818 -4.377 23.267) 24.637 2.153 ( -2.248 6.115 28.474) 29.210 2.974 ( -8.303 7.151 5.855) 12.424 3.274 ( 1.930 10.908 3.854) 11.729 3.331 ( -0.625 -9.241 0.035) 9.262 3.874 ( -1.521 4.620 -3.091) 5.763 4.107 ( 4.471 -0.528 -1.381) 4.709 4.215 ( 4.635 -4.318 -0.198) 6.337 4.781 ( -3.151 -3.089 -2.547) 5.095 5.206 ( -6.731 1.445 -0.295) 6.891 5.791 ( -8.587 -5.901 16.323) 19.365 6.134 ( -4.447 -2.679 21.472) 22.090 6.353 ( 3.753 -1.235 -1.722) 4.310 6.705 ( 1.886 1.554 1.364) 2.799 6.970 ( -5.442 1.007 21.796) 22.488 7.272 ( 0.602 -7.028 -11.168) 13.210 7.630 ( -8.331 -1.880 23.322) 24.837 7.798 ( 5.804 4.320 -13.922) 15.690 7.987 ( 0.560 3.314 3.066) 4.549 8.260 ( -8.514 5.871 28.009) 29.857 9.167 ( 0.717 7.216 -14.191) 15.936 9.719 ( 5.823 -0.399 -9.909) 11.501 9.766 ( -2.931 2.749 -6.747) 7.853 10.149 ( 4.421 -7.437 4.502) 9.753 10.506 ( 4.699 4.593 0.139) 6.572 10.650 ( 0.755 -2.183 -11.275) 11.510 11.757 ( -7.200 -0.795 17.226) 18.686 12.039 ( -3.464 3.015 16.256) 16.892 12.740 ( -3.063 -1.873 -9.700) 10.343 12.993 ( 8.543 -2.259 -15.756) 18.065 13.636 ( -0.482 3.090 1.100) 3.315 14.303 ( 2.218 -7.136 -9.568) 12.141 14.679 ( 5.231 -0.923 -10.313) 11.601 15.027 ( 1.583 -2.846 -14.082) 14.454 16.618 ( -3.139 2.284 10.053) 10.777 16.786 ( -4.234 1.910 6.202) 7.749 16.851 ( -0.948 -4.064 12.366) 13.051 17.273 ( -1.006 -7.794 9.344) 12.210 20.146 ( -3.963 -4.421 13.647) 14.883 20.823 ( -4.874 0.858 7.563) 9.038 21.370 ( 12.367 5.066 -30.037) 32.876 21.863 ( 4.753 1.242 -22.112) 22.651 28.194 ( -16.399 3.903 37.061) 40.715 29.405 ( -1.260 -13.013 3.804) 13.616 30.038 ( 7.401 -2.808 -12.699) 14.964 30.652 ( 0.622 -12.628 -4.451) 13.404 31.225 ( 0.929 -1.180 10.743) 10.848 31.445 ( -8.760 -0.292 16.536) 18.715 31.517 ( 10.896 -1.158 -6.238) 12.609 32.904 ( 5.535 -1.751 -19.366) 20.217 35.805 ( 5.232 3.851 2.462) 6.947 36.027 ( -1.467 0.645 3.928) 4.242 36.091 ( -3.765 -6.235 -6.483) 9.751 36.659 ( -1.237 19.123 -8.148) 20.823 ======================= Grid point 266 (137/201) ======================= q-point: (-0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.465 -10.232 26.358) 28.278 2.179 ( 0.843 8.935 30.309) 31.610 2.865 ( -0.872 -0.809 1.928) 2.265 3.079 ( -3.005 11.311 2.182) 11.905 3.507 ( 0.356 -8.060 4.802) 9.389 3.736 ( -2.025 8.137 -0.204) 8.387 4.177 ( 4.421 -1.703 -2.112) 5.187 4.389 ( 10.032 -5.101 -0.819) 11.284 4.795 ( -2.733 -5.062 -7.527) 9.474 5.103 ( -7.176 0.233 -1.072) 7.259 5.779 ( -13.371 -2.055 20.837) 24.843 6.180 ( -7.005 -1.132 22.332) 23.432 6.408 ( 4.688 1.703 3.833) 6.291 6.689 ( 0.747 1.536 -4.313) 4.639 6.974 ( -5.806 0.487 23.175) 23.896 7.356 ( -2.235 -7.231 0.455) 7.583 7.643 ( 0.416 2.778 5.325) 6.020 7.786 ( 2.272 -1.623 -3.562) 4.526 7.967 ( 3.806 2.640 -3.553) 5.838 8.169 ( -12.613 4.940 29.953) 32.874 9.033 ( 1.170 5.469 -10.036) 11.489 9.666 ( -3.050 0.887 -8.317) 8.903 9.758 ( 6.367 -0.357 -12.731) 14.238 10.275 ( 3.017 -2.339 -4.779) 6.117 10.528 ( 4.883 0.555 3.336) 5.940 10.647 ( 0.829 -0.497 -4.608) 4.708 11.764 ( -5.294 -0.527 19.296) 20.016 12.011 ( -5.577 1.770 14.590) 15.720 12.677 ( -4.431 -1.126 -7.105) 8.449 13.055 ( 8.546 -0.958 -17.825) 19.791 13.616 ( 0.968 0.606 -1.406) 1.812 14.329 ( 4.826 -0.215 -20.360) 20.925 14.736 ( 3.534 -3.238 -5.139) 7.027 15.019 ( -0.121 -1.788 -10.672) 10.821 16.600 ( -2.336 1.299 9.914) 10.268 16.724 ( -5.141 1.072 4.702) 7.049 16.948 ( -0.327 -2.372 13.445) 13.656 17.378 ( -3.469 -5.507 5.740) 8.678 20.181 ( -7.955 -2.326 14.143) 16.392 20.776 ( -4.989 0.706 6.939) 8.576 21.362 ( 14.445 2.742 -27.415) 31.109 21.809 ( 4.483 1.100 -22.444) 22.914 28.101 ( -15.737 2.130 35.988) 39.336 29.476 ( 1.183 -2.906 -10.796) 11.242 30.201 ( 4.620 -10.736 -5.741) 13.022 30.540 ( -20.942 0.643 -9.539) 23.021 31.272 ( -3.122 0.280 15.427) 15.742 31.448 ( -4.385 -1.773 16.212) 16.888 31.862 ( 27.583 -7.515 -5.702) 29.151 32.864 ( -1.165 -0.901 -21.191) 21.242 35.836 ( 2.731 0.225 2.414) 3.652 35.992 ( 0.091 0.431 0.343) 0.558 36.157 ( 3.442 -2.484 -1.379) 4.463 36.352 ( -2.029 15.550 -3.110) 15.987 ======================= Grid point 268 (138/201) ======================= q-point: ( 0.12 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 1.987 -0.000 24.810) 24.889 2.712 ( 10.856 -0.000 9.037) 14.125 2.796 ( 5.175 -0.000 -2.639) 5.809 3.435 ( -5.728 0.000 0.328) 5.738 3.440 ( 16.547 -0.000 -5.860) 17.554 3.743 ( 0.736 -0.000 7.745) 7.780 4.327 ( -0.717 0.000 -2.327) 2.434 4.420 ( -3.340 0.000 -16.392) 16.728 4.826 ( -1.065 0.000 -3.743) 3.892 4.902 ( 5.942 -0.000 9.159) 10.917 5.674 ( -6.890 0.000 31.514) 32.258 6.036 ( -14.606 0.000 13.999) 20.231 6.459 ( -5.357 0.000 -3.167) 6.223 6.732 ( 3.926 -0.000 3.933) 5.557 7.038 ( -3.921 0.000 9.933) 10.679 7.305 ( -8.166 0.000 7.115) 10.831 7.683 ( 8.179 -0.000 -21.288) 22.805 7.760 ( -15.612 0.000 32.586) 36.133 8.007 ( -7.588 0.000 41.754) 42.438 8.140 ( 9.630 -0.000 -19.349) 21.613 8.977 ( 2.280 -0.000 -5.646) 6.089 9.501 ( 0.371 -0.000 -5.820) 5.832 9.853 ( 8.479 -0.000 -16.727) 18.753 10.131 ( -2.005 0.000 -11.645) 11.817 10.624 ( -0.320 0.000 -1.465) 1.499 10.723 ( -1.085 0.000 3.350) 3.521 11.859 ( -8.319 0.000 17.160) 19.070 11.963 ( -1.330 0.000 19.886) 19.930 12.547 ( 2.719 -0.000 -5.354) 6.005 13.048 ( 2.642 -0.000 -19.034) 19.216 13.641 ( 1.601 -0.000 -2.387) 2.874 14.255 ( 6.140 -0.000 -21.424) 22.286 14.858 ( 4.141 -0.000 -6.037) 7.321 14.869 ( -2.641 0.000 -3.491) 4.378 16.586 ( -4.350 0.000 5.912) 7.340 16.643 ( -2.209 0.000 11.305) 11.519 17.088 ( -2.278 0.000 12.448) 12.655 17.125 ( -14.724 0.000 10.677) 18.188 19.918 ( -10.800 0.000 11.388) 15.695 20.804 ( 1.251 -0.000 7.634) 7.736 21.615 ( 11.800 -0.000 -24.933) 27.584 21.735 ( 9.857 -0.000 -20.482) 22.730 28.002 ( -11.067 0.000 34.889) 36.603 29.237 ( -32.302 0.000 24.266) 40.401 29.624 ( 12.280 -0.000 -9.582) 15.576 30.705 ( 9.904 -0.000 -7.192) 12.240 31.210 ( -9.862 0.000 10.511) 14.414 31.628 ( -2.819 0.000 22.884) 23.057 32.185 ( -11.023 0.000 -20.551) 23.320 32.540 ( 10.741 -0.000 -17.706) 20.709 35.759 ( -8.639 0.000 3.709) 9.402 35.845 ( -4.788 0.000 1.487) 5.014 36.014 ( -1.637 0.000 -4.035) 4.354 36.994 ( 27.914 -0.000 -13.668) 31.080 ======================= Grid point 269 (139/201) ======================= q-point: ( 0.25 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 6.884 6.110 20.212) 22.209 2.816 ( 8.809 10.027 0.950) 13.381 2.852 ( 0.014 2.723 6.215) 6.786 3.291 ( 2.646 4.601 -1.147) 5.430 3.686 ( 8.491 -7.665 -6.721) 13.268 3.810 ( -2.373 -3.085 5.223) 6.513 4.227 ( -2.834 2.574 -1.064) 3.974 4.335 ( -0.959 0.472 -17.022) 17.055 4.816 ( 6.265 3.756 0.068) 7.305 5.043 ( 5.175 -4.421 8.694) 11.042 5.754 ( -4.405 -1.268 29.010) 29.370 5.859 ( -15.716 3.306 8.785) 18.306 6.364 ( -8.447 -0.904 -5.064) 9.890 6.761 ( 1.129 3.358 4.585) 5.795 7.028 ( -3.249 0.748 11.533) 12.005 7.224 ( -9.432 -1.719 7.744) 12.324 7.684 ( -9.806 -0.146 15.006) 17.926 7.721 ( 1.589 -2.093 -4.014) 4.797 8.123 ( -0.127 0.507 25.812) 25.818 8.184 ( 4.277 -1.435 -1.051) 4.633 9.021 ( 2.180 -5.591 -6.650) 8.957 9.496 ( 1.732 -0.625 -4.312) 4.689 9.878 ( 7.762 1.625 -15.956) 17.819 10.081 ( -2.034 -2.519 -8.188) 8.805 10.583 ( 0.420 3.653 -3.035) 4.767 10.715 ( -2.939 -1.299 -0.114) 3.216 11.820 ( -9.179 -0.562 16.495) 18.885 12.035 ( -0.189 1.326 21.144) 21.186 12.583 ( 5.993 -0.897 -6.485) 8.875 12.985 ( 0.395 0.399 -18.064) 18.073 13.661 ( 1.373 -1.465 -1.434) 2.467 14.258 ( 5.695 -0.968 -17.953) 18.859 14.700 ( -1.902 10.731 -2.395) 11.158 14.965 ( 3.708 -5.349 -7.287) 9.771 16.570 ( -3.453 -0.883 7.001) 7.856 16.675 ( -2.280 -1.633 11.787) 12.116 16.975 ( -14.382 1.142 12.925) 19.370 17.094 ( -3.096 1.418 11.719) 12.204 19.854 ( -7.794 -1.580 10.108) 12.861 20.854 ( 1.616 0.529 7.933) 8.113 21.611 ( 7.063 0.426 -27.205) 28.110 21.820 ( 13.336 -0.722 -19.093) 23.301 28.053 ( -8.636 -4.234 35.921) 37.187 28.936 ( -26.382 4.866 30.367) 40.520 29.770 ( 14.266 -1.489 -9.299) 17.094 30.782 ( 7.358 1.473 -6.286) 9.789 31.073 ( -11.789 3.743 5.715) 13.626 31.666 ( -5.768 1.014 23.205) 23.933 31.945 ( -12.869 -0.650 -18.678) 22.692 32.606 ( 12.483 0.836 -17.681) 21.660 35.680 ( -4.692 -0.616 4.461) 6.503 35.834 ( -7.882 -7.088 0.833) 10.633 35.980 ( -0.748 0.236 -3.437) 3.525 37.254 ( 24.284 2.443 -16.405) 29.407 ======================= Grid point 270 (140/201) ======================= q-point: ( 0.38 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 7.302 13.594 9.639) 18.194 2.693 ( -0.511 10.120 4.009) 10.897 2.734 ( 1.907 14.714 10.405) 18.122 3.391 ( 3.739 -7.394 2.279) 8.594 3.725 ( -4.810 5.845 -1.475) 7.712 3.784 ( 1.311 0.975 -3.917) 4.244 4.126 ( -9.992 -0.424 -8.311) 13.003 4.370 ( 10.646 -1.537 -5.838) 12.239 4.912 ( 11.150 -2.655 2.437) 11.718 5.227 ( 6.276 -5.381 6.871) 10.750 5.561 ( -16.327 7.776 0.576) 18.093 5.883 ( -3.536 -2.003 27.843) 28.138 6.233 ( -9.125 -0.946 -4.592) 10.259 6.731 ( -0.103 2.815 1.852) 3.371 7.017 ( -4.779 3.350 19.763) 20.607 7.202 ( -6.166 -5.643 2.105) 8.619 7.624 ( -12.112 -0.599 22.288) 25.373 7.768 ( 3.473 -2.218 -4.926) 6.422 8.141 ( 3.359 0.519 -14.247) 14.646 8.308 ( -1.626 0.457 35.932) 35.972 9.120 ( 2.317 -8.576 -9.284) 12.850 9.533 ( 2.747 -2.773 -1.872) 4.329 9.872 ( 6.019 3.049 -11.915) 13.692 10.061 ( -1.814 -1.705 -6.800) 7.241 10.529 ( 1.261 2.585 -4.507) 5.346 10.688 ( -1.824 -0.829 -4.236) 4.686 11.783 ( -8.939 -0.707 16.346) 18.644 12.096 ( -0.084 2.461 20.643) 20.790 12.665 ( 8.545 -1.894 -8.914) 12.492 12.899 ( -1.544 0.255 -15.914) 15.991 13.713 ( 0.680 -4.527 0.666) 4.626 14.226 ( 0.965 7.351 -3.984) 8.416 14.555 ( 1.464 2.847 -10.244) 10.732 15.035 ( 5.007 -1.900 -10.990) 12.226 16.582 ( -2.919 -1.743 8.781) 9.417 16.727 ( -2.485 -2.179 12.399) 12.832 16.854 ( -11.192 -0.331 12.368) 16.683 17.073 ( -3.722 2.061 10.974) 11.770 19.851 ( -5.212 -3.663 10.129) 11.966 20.891 ( 0.885 1.406 7.986) 8.157 21.571 ( 6.380 0.420 -28.838) 29.538 21.903 ( 12.119 0.584 -19.844) 23.260 28.212 ( -6.201 -9.913 37.170) 38.966 28.691 ( -21.321 6.146 33.972) 40.577 29.943 ( 15.701 -1.577 -9.800) 18.575 30.699 ( -5.562 9.111 -10.396) 14.900 30.974 ( -0.573 -1.167 5.303) 5.460 31.646 ( -8.983 1.940 21.931) 23.779 31.731 ( -10.606 -1.023 -16.021) 19.241 32.690 ( 12.534 -0.604 -17.837) 21.809 35.693 ( -4.485 -6.082 4.291) 8.690 35.834 ( -9.434 -8.497 -0.365) 12.702 35.969 ( 3.085 2.072 -0.282) 3.727 37.392 ( 19.236 7.281 -18.085) 27.389 ======================= Grid point 271 (141/201) ======================= q-point: (-0.50 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -1.104 23.521 -0.653) 23.556 2.578 ( 0.930 16.772 15.191) 22.648 2.773 ( 6.773 -3.174 15.372) 17.095 3.470 ( -6.439 3.032 -0.879) 7.171 3.604 ( 3.030 1.483 -2.725) 4.337 3.723 ( -3.807 0.625 -0.462) 3.886 4.001 ( -5.613 -2.131 -7.624) 9.704 4.419 ( 4.807 5.538 -5.677) 9.273 5.150 ( 6.427 1.997 4.026) 7.843 5.258 ( -7.334 1.282 -2.225) 7.770 5.387 ( 2.351 -4.076 8.685) 9.878 5.956 ( -4.520 -2.477 18.934) 19.623 6.180 ( -2.612 -4.290 0.203) 5.027 6.707 ( -0.066 1.012 0.525) 1.142 6.993 ( -4.829 3.149 21.462) 22.223 7.204 ( -5.754 -4.329 -1.277) 7.313 7.587 ( -10.425 -0.879 23.416) 25.647 7.823 ( 2.298 -1.592 -0.294) 2.811 8.103 ( 2.379 1.018 -14.340) 14.572 8.396 ( -4.608 2.503 33.307) 33.717 9.224 ( 3.178 -7.221 -13.341) 15.499 9.630 ( 3.514 -5.209 0.314) 6.292 9.856 ( 4.976 2.735 -6.976) 8.994 10.002 ( -3.317 1.869 -5.826) 6.960 10.517 ( 1.928 -0.849 -4.749) 5.195 10.660 ( 1.037 0.311 -8.407) 8.476 11.751 ( -8.233 -0.660 16.261) 18.239 12.138 ( -0.690 3.137 19.363) 19.627 12.756 ( 7.062 -0.454 -13.749) 15.463 12.824 ( 0.124 -2.379 -11.590) 11.832 13.815 ( -0.234 -8.620 2.646) 9.020 14.050 ( -3.284 14.066 6.894) 16.005 14.573 ( 6.033 -4.729 -16.707) 18.382 15.047 ( 4.699 1.200 -15.095) 15.855 16.616 ( -3.292 -2.571 10.954) 11.723 16.740 ( -5.084 0.600 12.859) 13.840 16.834 ( -4.628 -3.461 9.908) 11.470 17.046 ( -3.782 0.556 10.400) 11.080 19.904 ( -3.747 -5.392 11.033) 12.839 20.901 ( -0.763 2.222 7.884) 8.227 21.520 ( 6.734 0.793 -30.124) 30.878 21.940 ( 10.310 2.170 -21.118) 23.601 28.458 ( -12.210 -5.956 38.011) 40.366 28.531 ( -10.371 -4.127 34.272) 36.044 30.127 ( 15.427 -1.236 -10.710) 18.821 30.419 ( -7.078 7.567 -14.338) 17.690 31.056 ( 3.354 -2.349 7.255) 8.331 31.565 ( -9.120 0.613 0.075) 9.141 31.579 ( -7.876 1.455 6.300) 10.191 32.782 ( 10.509 -2.056 -18.573) 21.439 35.745 ( -7.397 -9.603 1.397) 12.202 35.831 ( -9.543 -9.272 -2.442) 13.528 36.005 ( 8.457 5.014 6.123) 11.583 37.386 ( 14.198 12.783 -18.885) 26.863 ======================= Grid point 272 (142/201) ======================= q-point: (-0.38 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -0.901 18.131 7.856) 19.781 2.450 ( 3.496 14.587 19.202) 24.366 2.995 ( 4.339 -6.462 16.321) 18.082 3.235 ( -10.125 7.749 -4.481) 13.515 3.563 ( 0.336 6.735 -2.313) 7.129 3.783 ( 1.355 -8.639 -1.947) 8.959 3.976 ( -3.939 -5.680 -3.439) 7.720 4.331 ( 2.871 8.427 -6.682) 11.131 4.937 ( -4.422 12.090 0.825) 12.900 5.251 ( -5.843 1.339 -0.732) 6.039 5.583 ( 1.715 -8.193 14.999) 17.176 6.040 ( -1.443 -3.899 16.241) 16.765 6.253 ( 2.423 -5.067 0.055) 5.617 6.710 ( 0.299 -0.645 1.921) 2.048 6.996 ( -3.118 1.471 19.247) 19.554 7.163 ( -5.851 -2.680 -4.101) 7.631 7.583 ( -7.791 -1.088 23.408) 24.694 7.861 ( 2.110 0.071 -0.677) 2.218 8.058 ( 0.535 1.288 -8.192) 8.310 8.402 ( -7.519 4.064 28.249) 29.514 9.273 ( 4.284 -1.347 -15.900) 16.522 9.722 ( 4.123 -0.713 -5.510) 6.919 9.881 ( -4.598 4.426 -3.057) 7.077 9.916 ( 3.958 -6.143 0.263) 7.312 10.554 ( 1.834 -3.083 -3.974) 5.353 10.630 ( 3.611 2.324 -11.174) 11.971 11.733 ( -7.074 -0.764 16.829) 18.271 12.146 ( -2.742 3.968 17.406) 18.062 12.706 ( -1.927 -0.113 -11.691) 11.850 12.905 ( 9.124 -3.587 -14.041) 17.125 13.848 ( -2.544 12.160 7.399) 14.460 13.971 ( -1.472 -12.470 3.357) 12.997 14.660 ( 8.088 -3.715 -15.845) 18.173 14.999 ( 2.825 1.941 -18.109) 18.430 16.646 ( -4.693 -1.370 12.121) 13.070 16.750 ( -1.743 -1.679 11.792) 12.038 16.839 ( -4.659 0.691 8.500) 9.717 17.077 ( -2.852 -4.813 10.173) 11.610 19.990 ( -3.777 -6.110 12.164) 14.126 20.876 ( -2.821 2.698 7.616) 8.558 21.470 ( 8.117 1.306 -30.349) 31.443 21.929 ( 8.621 3.414 -22.361) 24.207 28.341 ( -16.106 6.089 36.790) 40.620 28.851 ( -5.459 -21.090 30.901) 37.808 30.100 ( -1.688 6.181 -16.537) 17.735 30.394 ( 9.550 -6.236 -11.714) 16.350 31.171 ( 3.222 -2.240 10.989) 11.669 31.460 ( -9.703 1.106 10.981) 14.696 31.515 ( 2.112 0.713 -3.318) 3.997 32.842 ( 5.991 -2.441 -19.926) 20.950 35.777 ( -7.649 -8.036 0.996) 11.139 35.840 ( -7.456 -9.995 -4.992) 13.432 36.082 ( 9.604 5.849 9.590) 14.779 37.237 ( 9.500 18.362 -18.704) 27.879 ======================= Grid point 273 (143/201) ======================= q-point: (-0.25 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 1.019 6.607 18.495) 19.666 2.443 ( 9.510 10.727 22.386) 26.583 2.940 ( -11.992 5.460 1.191) 13.230 3.219 ( -3.265 -6.233 7.099) 9.995 3.458 ( 4.231 7.790 0.260) 8.869 3.891 ( 3.507 -2.183 -6.587) 7.776 4.012 ( -5.601 -8.478 1.174) 10.229 4.274 ( 7.408 2.096 -5.814) 9.647 4.778 ( -0.488 6.263 -0.062) 6.282 5.121 ( -8.214 1.865 -2.013) 8.660 5.705 ( -6.299 -3.128 19.556) 20.782 6.130 ( -4.421 -2.537 19.301) 19.962 6.369 ( 5.559 -4.048 -1.015) 6.951 6.732 ( -1.276 -0.211 4.245) 4.438 7.007 ( -5.593 1.375 16.210) 17.203 7.149 ( 1.059 -5.573 -7.519) 9.419 7.620 ( -5.060 -1.593 24.482) 25.050 7.864 ( 4.070 2.778 -8.282) 9.638 8.009 ( -3.872 1.122 4.027) 5.698 8.335 ( -9.003 5.290 21.633) 24.021 9.232 ( 4.386 5.743 -14.073) 15.820 9.734 ( -2.931 3.378 -4.828) 6.581 9.744 ( 2.813 0.496 -10.428) 10.812 10.099 ( 3.237 -9.336 4.304) 10.778 10.568 ( 1.402 -0.243 -14.823) 14.891 10.629 ( 4.688 0.776 0.687) 4.801 11.739 ( -5.450 -1.074 18.268) 19.094 12.103 ( -5.505 4.306 15.324) 16.842 12.640 ( -2.488 -0.789 -8.837) 9.214 13.002 ( 9.035 -2.647 -16.771) 19.233 13.712 ( -1.118 7.441 5.060) 9.068 14.147 ( -0.880 -12.525 0.092) 12.556 14.723 ( 8.598 1.563 -15.216) 17.547 14.939 ( 0.889 -2.145 -17.021) 17.179 16.644 ( -3.579 0.856 11.389) 11.969 16.772 ( -5.298 1.571 5.523) 7.813 16.845 ( -0.570 -3.501 14.251) 14.686 17.169 ( -3.622 -7.475 8.747) 12.062 20.067 ( -5.805 -5.272 13.233) 15.382 20.823 ( -4.099 2.627 7.138) 8.640 21.441 ( 10.540 1.499 -29.063) 30.952 21.880 ( 7.216 3.992 -23.139) 24.564 28.215 ( -14.901 5.765 36.344) 39.701 29.167 ( -8.216 -19.405 19.583) 28.767 29.966 ( -3.565 -1.275 -12.977) 13.518 30.499 ( 2.879 -3.366 -13.867) 14.558 31.278 ( -0.099 -0.320 14.855) 14.858 31.385 ( -8.721 -1.603 15.406) 17.776 31.659 ( 19.527 -4.686 -5.778) 20.896 32.823 ( -0.202 -1.837 -21.402) 21.481 35.790 ( -6.461 -5.915 1.690) 8.922 35.882 ( -2.493 -7.692 -3.610) 8.855 36.155 ( 7.329 4.527 7.485) 11.412 36.967 ( 6.422 22.625 -16.910) 28.967 ======================= Grid point 274 (144/201) ======================= q-point: (-0.12 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 1.922 -4.516 24.524) 25.010 2.546 ( 12.375 11.631 23.615) 29.088 2.783 ( -4.621 -2.499 -7.311) 9.003 3.135 ( -10.385 2.053 6.736) 12.547 3.523 ( 7.532 0.987 3.589) 8.401 3.849 ( 2.650 8.215 -3.133) 9.183 4.108 ( -1.946 -11.370 -0.048) 11.535 4.403 ( 8.954 -5.790 -6.329) 12.400 4.731 ( 0.808 1.081 -1.197) 1.804 4.994 ( -7.348 0.303 -2.729) 7.845 5.705 ( -10.015 0.135 23.393) 25.447 6.155 ( -8.609 -1.418 19.291) 21.172 6.490 ( 5.528 -1.944 3.131) 6.644 6.694 ( -3.049 2.204 -1.506) 4.052 6.991 ( -5.943 -0.741 18.224) 19.183 7.249 ( 3.278 -6.505 -6.244) 9.594 7.702 ( -4.016 -1.586 28.215) 28.543 7.806 ( 3.784 5.210 -15.039) 16.359 7.979 ( -6.503 -0.696 15.277) 16.619 8.220 ( -6.576 5.983 10.805) 13.993 9.122 ( 3.366 8.708 -9.773) 13.516 9.613 ( -3.531 2.246 -5.779) 7.135 9.771 ( 6.008 -1.262 -13.680) 14.995 10.240 ( 1.183 -4.258 -3.291) 5.510 10.538 ( 2.142 -1.701 -9.614) 9.996 10.684 ( 3.122 0.521 3.663) 4.841 11.779 ( -3.649 -1.241 20.115) 20.481 12.025 ( -7.452 3.287 14.012) 16.208 12.589 ( -1.942 -0.650 -6.675) 6.982 13.062 ( 7.339 -1.495 -18.297) 19.770 13.650 ( 0.563 3.177 1.419) 3.524 14.271 ( 1.581 -6.023 -8.822) 10.798 14.718 ( 4.044 -0.055 -12.622) 13.254 14.945 ( 2.207 -3.232 -11.861) 12.490 16.634 ( -2.595 1.549 11.001) 11.409 16.698 ( -5.375 1.889 5.259) 7.753 16.955 ( -0.595 -3.890 13.812) 14.361 17.244 ( -6.807 -6.994 7.108) 12.074 20.085 ( -9.699 -2.714 13.874) 17.144 20.773 ( -2.969 1.676 6.761) 7.572 21.458 ( 13.355 0.902 -26.472) 29.664 21.812 ( 6.325 3.621 -23.260) 24.375 28.108 ( -14.035 4.746 35.471) 38.441 29.343 ( -7.445 -12.755 7.263) 16.459 29.874 ( -15.814 -5.056 -4.548) 17.214 30.506 ( 8.045 1.060 -11.850) 14.363 31.271 ( -8.121 -0.656 14.701) 16.808 31.450 ( -0.709 -2.691 17.904) 18.119 32.020 ( 22.212 -8.802 -9.335) 25.651 32.708 ( -6.008 -1.035 -22.191) 23.013 35.794 ( -5.912 -4.674 2.571) 7.963 35.951 ( 0.318 -3.967 0.689) 4.039 36.193 ( 2.973 4.076 1.467) 5.254 36.685 ( 11.368 19.812 -13.611) 26.590 ======================= Grid point 277 (145/201) ======================= q-point: ( 0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 7.123 -0.000 18.938) 20.233 2.961 ( 3.922 -0.000 6.631) 7.705 3.043 ( 9.831 -0.000 4.587) 10.849 3.297 ( -1.197 0.000 -4.927) 5.070 3.671 ( 4.558 -0.000 -9.144) 10.217 3.793 ( 0.021 -0.000 0.432) 0.433 4.108 ( -10.737 0.000 -8.021) 13.403 4.333 ( 7.264 -0.000 -10.791) 13.008 4.974 ( 12.004 -0.000 0.069) 12.005 5.087 ( 0.333 -0.000 17.311) 17.315 5.681 ( -15.578 0.000 2.392) 15.761 5.853 ( -2.480 0.000 28.623) 28.730 6.222 ( -8.946 0.000 -7.524) 11.690 6.812 ( -1.953 0.000 6.501) 6.788 7.016 ( -2.548 0.000 -1.456) 2.935 7.116 ( -13.012 0.000 24.631) 27.857 7.628 ( -14.423 0.000 31.655) 34.786 7.726 ( 9.904 -0.000 -22.150) 24.264 8.159 ( 4.614 -0.000 -19.180) 19.727 8.295 ( -1.654 0.000 42.189) 42.222 8.986 ( 2.981 -0.000 -7.041) 7.646 9.503 ( 3.091 -0.000 -5.092) 5.957 9.909 ( 4.274 -0.000 -11.738) 12.492 10.015 ( 0.936 -0.000 -9.314) 9.361 10.610 ( 1.838 -0.000 -5.044) 5.368 10.641 ( -5.892 0.000 0.389) 5.905 11.774 ( -8.640 0.000 17.138) 19.193 12.135 ( -0.265 0.000 21.268) 21.269 12.635 ( 7.891 -0.000 -7.558) 10.927 12.908 ( -1.044 0.000 -17.247) 17.278 13.660 ( 1.338 -0.000 -2.324) 2.682 14.247 ( 7.214 -0.000 -20.913) 22.122 14.799 ( -2.043 0.000 1.904) 2.793 14.893 ( 2.530 -0.000 -5.765) 6.296 16.559 ( -2.093 0.000 7.134) 7.434 16.682 ( -2.687 0.000 12.421) 12.709 16.855 ( -14.173 0.000 15.033) 20.660 17.106 ( -4.214 0.000 11.160) 11.930 19.795 ( -5.448 0.000 8.513) 10.107 20.914 ( 1.566 -0.000 8.072) 8.222 21.568 ( 4.896 -0.000 -27.815) 28.243 21.917 ( 13.946 -0.000 -19.072) 23.627 28.074 ( -7.534 0.000 36.994) 37.753 28.786 ( -22.671 0.000 32.458) 39.592 29.917 ( 16.117 -0.000 -10.319) 19.137 30.831 ( -1.309 0.000 -5.853) 5.998 30.976 ( -7.226 0.000 5.188) 8.895 31.675 ( -9.092 0.000 22.213) 24.002 31.714 ( -10.345 0.000 -15.673) 18.779 32.681 ( 11.074 -0.000 -18.858) 21.869 35.594 ( -8.257 0.000 0.902) 8.306 35.680 ( -8.033 0.000 0.075) 8.033 36.019 ( 5.572 -0.000 2.466) 6.094 37.498 ( 21.462 -0.000 -18.079) 28.062 ======================= Grid point 278 (146/201) ======================= q-point: ( 0.38 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 5.607 5.746 17.443) 19.202 2.841 ( -2.006 14.215 2.913) 14.648 3.135 ( 13.253 18.017 2.784) 22.539 3.280 ( -3.687 -8.855 3.079) 10.074 3.703 ( -4.116 -1.262 -2.118) 4.798 3.789 ( 4.186 0.124 -11.710) 12.436 3.937 ( -11.057 -1.740 -8.286) 13.926 4.424 ( 8.218 -3.138 -8.173) 12.007 5.073 ( 8.061 3.458 9.993) 13.296 5.256 ( 4.772 -6.576 12.796) 15.158 5.475 ( -9.707 4.790 -2.412) 11.090 5.929 ( -4.288 0.427 21.618) 22.043 6.086 ( -7.538 -2.074 -4.636) 9.089 6.760 ( -3.736 3.208 4.084) 6.397 7.005 ( -9.850 -7.930 6.458) 14.199 7.093 ( -3.376 2.690 17.637) 18.158 7.589 ( -12.435 0.588 33.448) 35.689 7.772 ( 8.453 -1.427 -16.949) 18.993 8.118 ( 2.373 0.504 -18.082) 18.244 8.435 ( -3.662 0.190 36.649) 36.832 9.032 ( 4.084 -4.315 -7.623) 9.665 9.535 ( 3.904 -1.341 -4.597) 6.179 9.907 ( 1.620 -0.214 -5.383) 5.626 10.000 ( 2.230 -0.231 -12.600) 12.798 10.540 ( -3.882 2.066 -1.576) 4.671 10.637 ( 1.313 -1.769 -5.372) 5.806 11.743 ( -7.826 -0.060 17.314) 19.001 12.204 ( -1.195 1.390 20.298) 20.380 12.719 ( 9.123 -1.253 -9.126) 12.964 12.816 ( -1.495 0.587 -15.649) 15.731 13.676 ( 0.808 -1.772 -1.795) 2.648 14.263 ( 6.521 -0.754 -17.926) 19.090 14.659 ( -0.760 12.000 1.601) 12.131 14.984 ( 2.156 -6.449 -6.088) 9.128 16.573 ( -1.648 -0.510 8.329) 8.505 16.715 ( -2.810 -2.249 12.576) 13.081 16.756 ( -11.337 -0.559 15.173) 18.949 17.085 ( -4.963 1.037 10.399) 11.569 19.790 ( -3.553 -2.269 8.426) 9.422 20.954 ( 0.397 1.178 7.963) 8.060 21.510 ( 4.460 -0.653 -28.954) 29.303 21.996 ( 12.416 1.231 -20.091) 23.649 28.178 ( -7.063 -5.444 38.082) 39.112 28.643 ( -18.421 2.921 34.365) 39.100 30.081 ( 15.949 -1.104 -13.014) 20.615 30.633 ( -13.651 5.217 -9.849) 17.623 31.012 ( 3.760 -0.740 8.293) 9.136 31.559 ( -4.922 -0.351 -12.081) 13.050 31.624 ( -11.559 0.940 19.809) 22.954 32.738 ( 9.646 -0.898 -19.525) 21.796 35.516 ( -9.076 -5.015 -0.626) 10.388 35.609 ( -8.505 -4.718 -0.753) 9.755 36.125 ( 9.835 2.403 7.149) 12.394 37.632 ( 16.743 4.508 -19.522) 26.111 ======================= Grid point 279 (147/201) ======================= q-point: (-0.50 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -2.180 22.240 2.617) 22.499 2.895 ( 4.571 -0.319 15.215) 15.890 2.966 ( 5.633 21.369 8.656) 23.734 3.413 ( -0.147 -5.364 1.165) 5.491 3.586 ( -8.251 3.150 0.108) 8.832 3.711 ( -0.707 4.292 -8.633) 9.667 3.859 ( -4.066 -4.300 -8.150) 10.072 4.478 ( 1.941 0.903 -9.197) 9.443 5.168 ( -5.359 -1.153 5.883) 8.041 5.319 ( 5.627 6.692 1.194) 8.825 5.438 ( 4.460 -1.239 12.223) 13.070 5.930 ( -1.444 -2.971 6.123) 6.957 6.099 ( -3.247 -5.497 8.091) 10.307 6.704 ( -3.070 0.572 3.654) 4.807 7.008 ( -12.818 -6.448 14.401) 20.329 7.088 ( 0.522 2.716 6.031) 6.635 7.581 ( -9.055 0.853 32.012) 33.279 7.831 ( 5.575 -1.791 -8.843) 10.607 8.061 ( 0.730 -0.186 -16.121) 16.139 8.493 ( -7.330 2.092 31.000) 31.924 9.137 ( 5.451 -6.140 -8.518) 11.831 9.610 ( 4.546 -4.057 -3.007) 6.795 9.906 ( 2.478 1.233 -6.441) 7.010 9.952 ( -1.894 1.020 -8.215) 8.492 10.480 ( -2.501 -1.222 -2.725) 3.896 10.658 ( 3.847 -0.391 -7.882) 8.780 11.722 ( -6.866 0.014 17.325) 18.636 12.236 ( -2.898 2.262 18.499) 18.860 12.724 ( -1.662 0.677 -13.031) 13.154 12.822 ( 10.210 -1.744 -11.664) 15.599 13.721 ( -0.268 -4.866 -0.102) 4.875 14.225 ( 1.004 9.183 -2.069) 9.466 14.553 ( 4.990 1.732 -9.911) 11.231 15.037 ( 2.265 -1.476 -9.961) 10.321 16.593 ( -3.595 -1.081 11.378) 11.982 16.721 ( -5.822 -1.684 12.863) 14.219 16.774 ( -2.991 -3.499 12.141) 12.984 17.045 ( -5.081 1.110 9.553) 10.877 19.836 ( -2.646 -4.247 9.531) 10.764 20.955 ( -1.518 2.497 7.771) 8.302 21.459 ( 5.046 -1.336 -29.885) 30.337 22.026 ( 10.629 2.848 -21.558) 24.204 28.360 ( -8.451 -10.221 37.909) 40.162 28.530 ( -14.404 3.832 36.027) 38.988 30.237 ( 12.855 -1.434 -14.745) 19.615 30.330 ( -10.515 5.151 -15.141) 19.140 31.121 ( 3.927 -1.139 12.463) 13.116 31.489 ( -2.784 0.821 -1.385) 3.216 31.539 ( -7.058 0.728 9.197) 11.616 32.780 ( 6.722 -1.732 -20.377) 21.527 35.502 ( -7.927 -9.001 -1.263) 12.060 35.587 ( -7.634 -7.336 -1.100) 10.644 36.248 ( 10.727 4.678 10.089) 15.451 37.630 ( 11.589 9.428 -20.694) 25.523 ======================= Grid point 280 (148/201) ======================= q-point: (-0.38 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -0.169 20.844 7.043) 22.002 2.809 ( 5.376 15.473 9.645) 19.009 3.022 ( -0.649 -2.771 16.545) 16.788 3.240 ( -9.254 12.276 1.095) 15.412 3.587 ( -4.724 -5.472 1.555) 7.394 3.663 ( 2.920 -1.538 -5.529) 6.439 3.862 ( 0.653 -4.643 -7.835) 9.130 4.402 ( 0.389 3.596 -11.538) 12.091 5.031 ( -5.261 7.586 0.232) 9.235 5.260 ( -0.752 8.339 -0.027) 8.373 5.605 ( 2.549 -3.350 20.306) 20.738 6.035 ( -0.976 -4.133 13.366) 14.024 6.201 ( 2.888 -7.899 -0.348) 8.418 6.695 ( -2.447 -1.461 4.706) 5.502 6.982 ( -12.360 -4.426 13.095) 18.543 7.089 ( 2.602 1.768 2.358) 3.932 7.605 ( -5.295 0.616 27.486) 27.998 7.882 ( 2.808 -0.874 -2.047) 3.583 8.011 ( -0.803 -1.093 -11.614) 11.693 8.458 ( -10.540 3.445 25.745) 28.032 9.253 ( 7.131 -3.905 -10.462) 13.249 9.720 ( 4.247 -3.651 -4.799) 7.376 9.849 ( -2.606 2.477 -8.385) 9.124 9.902 ( 0.068 -0.795 0.504) 0.944 10.485 ( -0.561 -3.835 -4.780) 6.154 10.676 ( 5.354 0.951 -9.441) 10.895 11.717 ( -5.721 -0.289 17.838) 18.735 12.217 ( -5.588 3.283 16.022) 17.283 12.647 ( -0.510 0.942 -10.805) 10.858 12.926 ( 9.878 -2.218 -13.897) 17.193 13.810 ( -1.675 -8.905 2.258) 9.338 14.047 ( -1.653 14.661 7.526) 16.563 14.630 ( 9.048 -5.766 -16.804) 19.937 14.997 ( 1.705 3.245 -14.218) 14.683 16.614 ( -4.764 -2.114 13.688) 14.647 16.750 ( -1.992 -1.741 9.728) 10.081 16.820 ( -3.931 -1.345 12.360) 13.040 17.024 ( -4.122 -1.853 8.654) 9.763 19.913 ( -3.029 -5.130 11.154) 12.645 20.913 ( -3.382 3.427 7.469) 8.887 21.429 ( 6.785 -1.891 -29.817) 30.638 22.006 ( 9.077 4.274 -22.941) 25.039 28.397 ( -12.608 5.981 36.487) 39.064 28.627 ( -10.738 -15.411 36.281) 40.855 30.050 ( -7.245 5.040 -15.274) 17.641 30.383 ( 9.937 -4.280 -18.473) 21.408 31.246 ( 3.020 -1.365 16.227) 16.562 31.390 ( -12.171 1.437 13.282) 18.072 31.590 ( 12.774 -1.059 -6.076) 14.185 32.772 ( 1.823 -1.572 -21.501) 21.635 35.547 ( -6.545 -9.996 0.331) 11.953 35.620 ( -3.328 -9.324 -2.531) 10.219 36.339 ( 8.647 6.687 10.824) 15.384 37.490 ( 6.695 14.066 -21.453) 26.512 ======================= Grid point 281 (149/201) ======================= q-point: (-0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 1.680 13.607 14.759) 20.144 2.742 ( 0.469 4.742 -0.238) 4.771 2.937 ( -5.125 12.429 18.315) 22.719 3.116 ( -7.835 -1.901 7.749) 11.183 3.593 ( 4.921 2.183 1.004) 5.476 3.742 ( -3.535 -10.867 -1.709) 11.555 3.933 ( 5.313 -3.311 -8.140) 10.269 4.344 ( 4.694 0.513 -12.098) 12.987 4.862 ( -4.295 7.581 1.148) 8.789 5.122 ( 0.272 9.218 -1.276) 9.310 5.713 ( -3.540 0.159 23.223) 23.492 6.085 ( -9.063 -3.879 15.429) 18.309 6.371 ( 7.082 -6.179 -1.681) 9.547 6.700 ( -4.585 -1.691 3.943) 6.279 6.941 ( -10.361 -3.233 14.342) 17.986 7.139 ( 6.579 -0.649 -3.303) 7.390 7.663 ( -2.284 -0.355 23.326) 23.440 7.910 ( 2.114 0.759 -0.270) 2.263 7.966 ( -4.323 -0.625 0.119) 4.370 8.356 ( -11.288 3.941 18.402) 21.945 9.316 ( 7.738 2.661 -11.683) 14.264 9.728 ( -4.612 5.070 -0.821) 6.903 9.736 ( 2.900 -0.427 -12.880) 13.209 10.010 ( 1.659 -9.413 2.613) 9.909 10.508 ( 0.571 -2.527 -8.143) 8.545 10.694 ( 5.289 0.733 -7.166) 8.937 11.741 ( -4.230 -1.139 19.072) 19.569 12.138 ( -8.224 4.068 13.819) 16.587 12.594 ( 0.874 1.038 -8.757) 8.861 13.010 ( 8.243 -1.878 -15.977) 18.076 13.855 ( -2.129 9.887 7.966) 12.874 13.962 ( -1.321 -10.038 3.258) 10.636 14.768 ( 10.138 -5.704 -16.229) 19.967 14.880 ( 0.800 5.445 -17.401) 18.251 16.645 ( -3.778 -1.474 13.694) 14.282 16.751 ( -4.761 1.073 6.334) 7.996 16.857 ( -1.111 -1.823 14.640) 14.795 17.061 ( -4.444 -5.169 7.610) 10.216 19.982 ( -4.973 -4.207 12.744) 14.312 20.846 ( -3.851 3.377 7.085) 8.743 21.437 ( 9.348 -2.341 -28.623) 30.202 21.948 ( 7.918 5.209 -23.717) 25.540 28.296 ( -11.427 8.179 36.510) 39.121 28.852 ( -15.056 -18.062 32.292) 39.946 29.866 ( -3.588 2.520 -14.545) 15.191 30.467 ( 7.531 -3.459 -17.454) 19.322 31.267 ( -11.183 0.712 11.278) 15.898 31.379 ( 0.974 -2.061 19.175) 19.310 31.827 ( 21.141 -4.436 -6.875) 22.669 32.681 ( -3.950 -0.715 -22.342) 22.700 35.600 ( -6.041 -8.497 1.799) 10.580 35.749 ( 2.944 -9.881 -2.536) 10.618 36.368 ( 5.197 7.782 8.997) 12.982 37.239 ( 3.713 17.160 -21.199) 27.525 ======================= Grid point 282 (150/201) ======================= q-point: (-0.12 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 2.945 3.299 19.841) 20.328 2.632 ( -9.001 -2.290 -4.145) 10.170 2.933 ( 1.225 -0.475 15.263) 15.319 3.012 ( -2.511 8.106 8.005) 11.666 3.659 ( 6.314 1.196 1.787) 6.670 3.858 ( -6.267 -12.199 1.492) 13.796 3.995 ( 10.005 1.568 -8.170) 13.012 4.406 ( 6.206 -4.415 -12.227) 14.405 4.735 ( -3.952 2.930 1.457) 5.130 5.019 ( 4.052 8.294 -0.228) 9.234 5.729 ( -6.073 2.712 25.850) 26.692 6.052 ( -13.638 -3.951 12.582) 18.971 6.521 ( 4.318 -4.107 2.245) 6.368 6.643 ( -6.266 -0.110 -0.834) 6.323 6.947 ( -7.502 -3.491 18.975) 20.701 7.226 ( 7.239 -1.931 -9.116) 11.800 7.739 ( -3.202 -0.919 20.721) 20.987 7.872 ( -0.648 4.030 -5.164) 6.583 7.960 ( -5.632 -0.192 24.636) 25.273 8.236 ( -6.144 3.136 4.330) 8.144 9.266 ( 5.278 9.233 -10.156) 14.705 9.600 ( -3.338 4.521 -0.967) 5.702 9.754 ( 5.154 -3.079 -14.794) 15.966 10.155 ( -0.148 -7.277 -0.595) 7.302 10.502 ( 1.690 -0.880 -9.156) 9.352 10.728 ( 3.032 -0.418 -2.660) 4.055 11.803 ( -2.749 -1.863 20.581) 20.847 12.025 ( -9.304 3.485 13.090) 16.434 12.565 ( 2.343 1.141 -7.205) 7.662 13.048 ( 5.468 -1.137 -17.366) 18.242 13.741 ( -0.090 7.471 4.974) 8.975 14.120 ( -1.699 -12.151 1.501) 12.361 14.733 ( 1.356 5.496 -17.966) 18.837 14.899 ( 8.328 -4.411 -13.999) 16.876 16.661 ( -4.053 0.958 11.742) 12.459 16.692 ( -3.697 1.954 7.315) 8.426 16.948 ( -1.249 -3.694 14.419) 14.937 17.095 ( -7.174 -5.136 7.093) 11.320 19.997 ( -7.901 -1.401 13.475) 15.683 20.797 ( -2.085 1.945 6.937) 7.500 21.491 ( 11.798 -2.792 -26.842) 29.453 21.869 ( 7.385 5.340 -23.479) 25.185 28.190 ( -10.647 8.405 35.931) 38.406 29.004 ( -20.114 -16.575 28.950) 38.953 29.749 ( 0.004 2.901 -12.440) 12.774 30.553 ( 9.290 -3.445 -13.672) 16.885 31.176 ( -10.629 -1.630 9.540) 14.375 31.500 ( -0.390 -2.053 21.239) 21.341 32.137 ( 19.031 -5.583 -10.963) 22.661 32.513 ( -7.245 -0.308 -21.769) 22.945 35.650 ( -4.257 -6.397 2.939) 8.227 35.905 ( 2.902 -5.702 -0.179) 6.400 36.323 ( 0.582 8.495 3.189) 9.093 36.986 ( 8.391 13.670 -18.945) 24.823 ======================= Grid point 286 (151/201) ======================= q-point: ( 0.38 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 2.569 -0.000 16.397) 16.597 3.032 ( -3.492 0.000 7.640) 8.401 3.067 ( -4.360 0.000 0.415) 4.379 3.517 ( 10.764 -0.000 4.893) 11.824 3.583 ( -3.090 0.000 -2.778) 4.155 3.748 ( -9.414 0.000 -10.591) 14.170 3.785 ( 3.076 -0.000 -14.342) 14.668 4.440 ( 4.196 -0.000 -10.175) 11.006 5.182 ( -10.802 0.000 24.013) 26.331 5.339 ( 14.120 -0.000 0.789) 14.142 5.468 ( 3.651 -0.000 3.609) 5.133 5.934 ( -5.508 0.000 -9.724) 11.175 5.973 ( -5.558 0.000 19.291) 20.076 6.747 ( -6.370 0.000 4.743) 7.942 6.847 ( -9.673 0.000 13.057) 16.249 7.148 ( -0.244 0.000 8.953) 8.956 7.602 ( -12.193 0.000 44.768) 46.399 7.796 ( 9.278 -0.000 -21.257) 23.193 8.063 ( 1.516 -0.000 -20.349) 20.406 8.517 ( -7.436 0.000 33.086) 33.911 9.037 ( 5.816 -0.000 -6.502) 8.724 9.555 ( 4.445 -0.000 -5.836) 7.336 9.894 ( -0.626 0.000 1.161) 1.319 9.984 ( 4.074 -0.000 -18.471) 18.915 10.474 ( -7.250 0.000 2.467) 7.658 10.641 ( 4.755 -0.000 -7.862) 9.188 11.725 ( -6.645 0.000 17.630) 18.841 12.269 ( -3.392 0.000 19.026) 19.326 12.726 ( -0.768 0.000 -12.214) 12.238 12.807 ( 9.863 -0.000 -11.916) 15.469 13.664 ( 0.724 -0.000 -2.952) 3.039 14.262 ( 8.071 -0.000 -21.807) 23.252 14.805 ( 0.102 -0.000 5.328) 5.329 14.890 ( 0.420 -0.000 -3.868) 3.891 16.593 ( -0.536 0.000 7.756) 7.775 16.661 ( -9.675 0.000 14.693) 17.592 16.735 ( -3.294 0.000 15.375) 15.724 17.066 ( -5.610 0.000 9.655) 11.166 19.774 ( -1.942 0.000 8.043) 8.274 20.994 ( -1.006 0.000 7.859) 7.924 21.434 ( 4.182 -0.000 -29.765) 30.058 22.068 ( 10.816 -0.000 -20.832) 23.473 28.206 ( -8.152 0.000 38.796) 39.643 28.600 ( -14.649 0.000 35.646) 38.539 30.201 ( 14.072 -0.000 -17.833) 22.717 30.432 ( -15.461 0.000 -11.303) 19.152 31.106 ( 4.098 -0.000 13.209) 13.830 31.501 ( 3.276 -0.000 -8.998) 9.576 31.549 ( -13.231 0.000 17.170) 21.676 32.754 ( 7.183 -0.000 -20.543) 21.763 35.363 ( -8.015 0.000 -0.892) 8.065 35.474 ( -6.849 0.000 -1.359) 6.983 36.316 ( 10.907 -0.000 10.398) 15.069 37.763 ( 11.899 -0.000 -20.937) 24.082 ======================= Grid point 287 (152/201) ======================= q-point: (-0.50 -0.62 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -4.651 18.022 5.712) 19.469 2.983 ( -1.765 0.118 16.666) 16.760 3.160 ( -5.956 -3.815 3.870) 8.063 3.408 ( 0.407 6.788 -2.379) 7.204 3.595 ( -1.271 8.705 -1.138) 8.870 3.698 ( -0.632 -5.716 -1.183) 5.871 3.740 ( 1.202 1.110 -12.983) 13.086 4.431 ( -0.895 -1.001 -11.586) 11.664 5.128 ( -6.996 0.735 12.464) 14.312 5.463 ( 4.963 3.699 -1.022) 6.273 5.572 ( 5.973 0.542 15.616) 16.728 5.910 ( 5.628 -4.097 -2.651) 7.449 5.991 ( -7.121 -4.423 10.056) 13.092 6.674 ( -5.999 0.066 4.554) 7.532 6.835 ( -9.489 -4.232 17.083) 19.995 7.165 ( 1.544 2.218 3.970) 4.803 7.646 ( -8.530 1.756 42.220) 43.109 7.831 ( 6.164 -2.080 -14.611) 15.994 7.992 ( 0.921 -0.020 -19.723) 19.745 8.517 ( -11.800 0.808 27.537) 29.970 9.119 ( 6.810 -3.468 -5.434) 9.377 9.608 ( 4.994 -2.383 -5.110) 7.532 9.903 ( -0.480 -0.576 2.331) 2.448 9.927 ( 1.869 2.249 -18.864) 19.089 10.408 ( -5.448 -1.301 2.544) 6.152 10.676 ( 5.487 -0.454 -8.926) 10.488 11.720 ( -5.469 0.263 17.685) 18.513 12.278 ( -6.145 1.051 16.991) 18.099 12.667 ( 0.222 0.293 -11.702) 11.708 12.893 ( 10.473 -0.288 -11.608) 15.637 13.670 ( 0.240 -1.700 -2.492) 3.026 14.283 ( 7.233 -0.454 -18.880) 20.224 14.687 ( 1.187 11.813 2.729) 12.182 14.977 ( 0.954 -5.743 -3.901) 7.008 16.588 ( -5.220 0.791 12.869) 13.910 16.662 ( -3.422 -3.879 10.081) 11.331 16.774 ( -2.119 -0.895 15.689) 15.857 17.028 ( -5.552 0.641 8.842) 10.460 19.807 ( -1.010 -2.064 8.924) 9.215 20.991 ( -2.769 1.694 7.824) 8.471 21.373 ( 5.022 -1.426 -30.484) 30.928 22.092 ( 8.977 1.613 -21.837) 23.666 28.297 ( -9.491 -5.327 38.835) 40.332 28.571 ( -11.020 3.047 37.404) 39.112 30.171 ( -12.725 2.620 -13.569) 18.786 30.291 ( 10.826 -1.781 -20.843) 23.554 31.221 ( 3.008 -0.404 17.231) 17.496 31.435 ( -12.779 1.237 13.408) 18.563 31.569 ( 11.310 -0.563 -6.238) 12.929 32.742 ( 3.825 -0.529 -21.457) 21.802 35.313 ( -4.924 -5.066 -0.186) 7.067 35.422 ( -4.527 -3.990 -1.766) 6.287 36.477 ( 9.228 2.674 11.981) 15.358 37.755 ( 6.320 4.725 -22.264) 23.621 ======================= Grid point 288 (153/201) ======================= q-point: (-0.38 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -3.993 17.692 7.945) 19.801 2.946 ( -11.187 5.657 15.494) 19.931 3.128 ( 6.734 4.540 -0.653) 8.147 3.235 ( -18.887 3.328 5.373) 19.917 3.529 ( 3.953 3.796 5.018) 7.431 3.707 ( 4.091 2.539 -6.742) 8.285 3.774 ( 3.092 -6.922 -6.496) 9.984 4.347 ( -3.168 -0.058 -13.721) 14.082 5.072 ( -2.742 4.828 5.617) 7.898 5.395 ( 2.359 7.967 -4.108) 9.269 5.709 ( 1.048 -0.579 23.574) 23.605 5.962 ( -10.294 -3.193 11.388) 15.679 6.144 ( 11.359 -9.174 -4.162) 15.183 6.635 ( -5.938 -2.469 3.532) 7.337 6.846 ( -8.988 -2.946 19.782) 21.927 7.176 ( 4.539 2.491 0.370) 5.191 7.689 ( -3.196 2.077 26.508) 26.781 7.884 ( 0.527 -2.527 2.309) 3.463 7.929 ( 0.383 -0.980 -15.724) 15.760 8.435 ( -14.505 1.427 21.785) 26.211 9.252 ( 7.722 -5.097 -5.473) 10.750 9.701 ( 4.695 -3.907 -4.461) 7.564 9.819 ( -0.667 2.916 -15.380) 15.668 9.900 ( -0.891 1.095 2.094) 2.526 10.401 ( -2.246 -3.845 -0.126) 4.454 10.710 ( 5.635 0.106 -10.187) 11.642 11.729 ( -4.339 0.238 18.178) 18.691 12.226 ( -8.986 2.000 14.502) 17.177 12.628 ( 2.456 0.964 -10.575) 10.899 12.975 ( 9.268 -0.428 -12.462) 15.536 13.703 ( -0.760 -4.596 -0.284) 4.667 14.244 ( 2.183 9.366 -3.193) 10.133 14.620 ( 6.105 0.610 -9.720) 11.494 15.003 ( 1.917 0.858 -8.634) 8.886 16.586 ( -4.972 -1.592 14.589) 15.495 16.719 ( -2.716 -3.261 7.825) 8.901 16.832 ( -1.287 -0.690 16.198) 16.264 16.990 ( -4.694 -0.056 7.727) 9.041 19.873 ( -1.149 -3.084 10.628) 11.126 20.944 ( -4.099 3.156 7.627) 9.216 21.351 ( 6.941 -3.142 -30.264) 31.208 22.069 ( 7.494 3.070 -22.792) 24.188 28.431 ( -10.857 -8.349 37.648) 40.061 28.545 ( -9.012 5.706 39.203) 40.628 29.944 ( -7.388 2.327 -13.759) 15.789 30.354 ( 7.381 -3.727 -22.201) 23.691 31.306 ( -11.191 1.609 10.151) 15.194 31.337 ( 0.756 -0.909 20.038) 20.073 31.752 ( 18.973 -1.341 -5.916) 19.919 32.673 ( -0.861 0.091 -22.354) 22.371 35.363 ( -2.768 -7.473 1.058) 8.039 35.470 ( 0.858 -8.322 -2.142) 8.636 36.567 ( 5.602 5.527 11.903) 14.270 37.607 ( 0.955 8.835 -23.297) 24.935 ======================= Grid point 289 (154/201) ======================= q-point: (-0.25 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -3.645 12.890 10.243) 16.863 2.718 ( -12.174 9.591 5.615) 16.484 2.951 ( -19.417 2.929 11.753) 22.885 3.209 ( 7.080 1.825 6.038) 9.482 3.576 ( -0.517 -4.149 3.586) 5.508 3.707 ( 4.433 2.931 -1.027) 5.412 3.911 ( 7.514 -6.612 -8.341) 13.029 4.281 ( -0.855 -3.510 -14.342) 14.790 4.968 ( 0.375 10.023 4.185) 10.868 5.297 ( 4.478 9.372 -4.333) 11.254 5.798 ( -4.039 0.490 26.688) 26.996 5.899 ( -13.914 -4.291 7.660) 16.453 6.375 ( 8.600 -6.281 -1.444) 10.747 6.600 ( -7.340 -2.582 1.538) 7.932 6.862 ( -7.778 -2.028 22.595) 23.983 7.221 ( 7.878 1.221 -5.487) 9.678 7.736 ( 0.535 0.712 12.315) 12.347 7.892 ( -2.212 -1.607 -6.320) 6.886 7.939 ( -3.145 -1.637 19.082) 19.408 8.308 ( -13.094 1.548 13.693) 19.009 9.392 ( 9.059 -2.080 -7.417) 11.891 9.692 ( 0.096 0.699 -17.458) 17.472 9.755 ( -2.141 3.660 3.215) 5.322 9.925 ( 1.872 -5.432 0.197) 5.749 10.442 ( 0.078 -4.088 -2.953) 5.043 10.729 ( 4.897 0.530 -10.614) 11.702 11.763 ( -3.060 -0.635 19.402) 19.653 12.120 ( -10.799 2.793 12.475) 16.734 12.611 ( 4.610 1.732 -9.748) 10.921 13.027 ( 6.584 -0.156 -13.768) 15.262 13.781 ( -2.092 -8.161 2.684) 8.842 14.085 ( -0.168 13.917 6.150) 15.217 14.702 ( 6.412 -6.101 -16.737) 18.933 14.945 ( 4.759 5.504 -13.513) 15.347 16.626 ( -3.786 -2.830 14.996) 15.724 16.729 ( -4.413 -0.106 7.390) 8.608 16.896 ( -0.361 -0.177 15.615) 15.621 16.982 ( -4.197 -2.325 6.260) 7.887 19.941 ( -2.543 -2.329 12.487) 12.955 20.875 ( -3.966 3.345 7.404) 9.041 21.383 ( 9.411 -4.510 -29.382) 31.180 22.009 ( 6.573 4.133 -23.281) 24.541 28.480 ( -4.982 11.076 37.112) 39.049 28.583 ( -16.834 -11.952 38.388) 43.587 29.811 ( -0.544 1.299 -12.935) 13.011 30.410 ( 5.573 -5.902 -20.029) 21.611 31.184 ( -9.668 1.706 7.623) 12.429 31.446 ( -0.788 -1.672 21.260) 21.340 32.021 ( 21.691 -2.634 -7.788) 23.197 32.526 ( -5.337 1.142 -22.517) 23.169 35.445 ( -1.387 -7.317 1.878) 7.680 35.656 ( 6.579 -10.862 -1.574) 12.796 36.562 ( 1.191 7.933 9.777) 12.647 37.352 ( -2.211 10.894 -23.355) 25.865 ======================= Grid point 290 (155/201) ======================= q-point: (-0.12 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -2.944 3.079 8.006) 9.069 2.498 ( -9.807 3.047 8.184) 13.131 2.756 ( -17.029 -1.287 12.233) 21.007 3.302 ( 10.126 4.302 4.729) 11.975 3.649 ( -3.943 -7.985 2.423) 9.229 3.726 ( 2.417 1.006 1.511) 3.023 4.072 ( 10.580 -4.922 -8.930) 14.694 4.290 ( -1.844 -6.388 -11.857) 13.594 4.865 ( 5.494 11.243 3.921) 13.114 5.220 ( 6.339 8.705 -2.902) 11.153 5.793 ( -18.131 -6.890 4.057) 19.816 5.832 ( -4.284 3.772 28.731) 29.292 6.484 ( -4.760 -1.837 -1.259) 5.255 6.572 ( 1.135 -3.362 1.471) 3.841 6.899 ( -7.143 -2.589 24.108) 25.277 7.275 ( 7.918 0.772 -12.304) 14.652 7.774 ( -2.362 0.441 12.557) 12.785 7.840 ( -6.092 0.743 2.947) 6.808 8.030 ( -3.306 -2.185 30.479) 30.736 8.196 ( -5.086 1.110 -0.082) 5.206 9.415 ( 6.179 7.818 -12.449) 15.946 9.645 ( -2.180 4.104 -0.262) 4.655 9.690 ( 3.179 -3.456 -9.033) 10.180 10.046 ( 0.689 -7.508 -1.110) 7.621 10.476 ( 1.543 -1.636 -5.367) 5.819 10.734 ( 2.791 -0.184 -8.731) 9.168 11.834 ( -2.159 -1.648 20.794) 20.971 11.994 ( -10.352 2.421 12.102) 16.108 12.613 ( 6.265 2.283 -9.201) 11.363 13.027 ( 3.087 0.257 -14.983) 15.299 13.867 ( -1.617 0.695 5.483) 5.759 13.962 ( -1.680 -0.489 5.835) 6.092 14.722 ( 0.836 1.379 -16.575) 16.653 14.929 ( 10.665 0.101 -16.915) 19.997 16.666 ( -4.269 0.847 11.666) 12.451 16.702 ( -3.197 -0.576 10.484) 10.976 16.951 ( -3.282 -0.839 14.502) 14.892 16.991 ( -3.622 -2.710 5.935) 7.463 19.966 ( -4.713 0.323 13.389) 14.198 20.828 ( -2.106 1.831 7.355) 7.867 21.464 ( 11.349 -5.140 -28.510) 31.113 21.931 ( 6.474 4.448 -22.868) 24.179 28.394 ( -5.237 13.522 36.960) 39.703 28.680 ( -19.990 -12.167 36.108) 43.028 29.777 ( 6.275 1.651 -11.412) 13.127 30.504 ( 5.272 -8.411 -15.953) 18.790 31.080 ( -7.525 1.275 5.673) 9.510 31.542 ( -3.097 -2.294 22.271) 22.602 32.198 ( -0.104 0.285 -17.524) 17.527 32.406 ( 10.405 -1.169 -15.527) 18.728 35.553 ( 1.421 -6.426 3.419) 7.417 35.867 ( 4.953 -6.536 -0.086) 8.201 36.450 ( -4.183 10.160 3.474) 11.524 37.113 ( 2.745 6.338 -20.856) 21.970 ======================= Grid point 295 (156/201) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -11.762 0.000 8.764) 14.668 2.943 ( -7.073 0.000 9.064) 11.497 3.026 ( -5.608 0.000 12.699) 13.882 3.471 ( -1.035 0.000 -10.222) 10.274 3.537 ( 0.340 -0.000 -5.100) 5.112 3.705 ( 0.006 -0.000 -9.679) 9.679 3.758 ( 1.804 -0.000 7.776) 7.983 4.350 ( -3.527 0.000 -11.640) 12.163 5.105 ( -6.255 0.000 14.985) 16.238 5.527 ( 1.159 -0.000 -4.284) 4.438 5.677 ( 1.560 -0.000 11.957) 12.058 5.949 ( -3.945 0.000 15.684) 16.173 5.971 ( 13.358 -0.000 -5.109) 14.301 6.591 ( -7.550 0.000 2.010) 7.813 6.801 ( -6.713 0.000 23.332) 24.279 7.222 ( 3.229 -0.000 1.989) 3.792 7.753 ( -8.711 0.000 49.389) 50.151 7.809 ( 4.948 -0.000 -19.379) 20.001 7.921 ( 2.740 -0.000 -23.933) 24.089 8.449 ( -16.476 0.000 23.921) 29.046 9.162 ( 6.538 -0.000 -3.467) 7.401 9.635 ( 5.383 -0.000 -4.798) 7.211 9.875 ( 1.330 -0.000 -22.409) 22.448 9.917 ( 0.860 -0.000 3.338) 3.447 10.341 ( -5.886 0.000 6.215) 8.560 10.708 ( 6.045 -0.000 -9.732) 11.456 11.737 ( -4.156 0.000 17.704) 18.185 12.253 ( -9.353 0.000 15.113) 17.773 12.640 ( 2.796 -0.000 -10.922) 11.275 12.974 ( 9.594 -0.000 -11.053) 14.636 13.652 ( 0.644 -0.000 -3.476) 3.535 14.288 ( 9.014 -0.000 -23.423) 25.097 14.853 ( -1.372 0.000 -1.642) 2.140 14.892 ( 3.127 -0.000 4.731) 5.670 16.575 ( -6.831 0.000 14.718) 16.226 16.644 ( -0.909 0.000 7.964) 8.016 16.821 ( -0.819 0.000 17.584) 17.603 16.998 ( -5.283 0.000 8.145) 9.708 19.828 ( 0.355 -0.000 9.363) 9.370 20.995 ( -3.961 0.000 8.233) 9.136 21.299 ( 5.924 -0.000 -31.306) 31.861 22.113 ( 7.039 -0.000 -22.117) 23.210 28.296 ( -11.066 0.000 39.645) 41.160 28.653 ( -4.927 0.000 39.004) 39.314 29.978 ( -10.730 0.000 -12.484) 16.462 30.296 ( 7.026 -0.000 -24.216) 25.214 31.322 ( -0.060 0.000 17.600) 17.600 31.336 ( -10.636 0.000 12.896) 16.717 31.735 ( 18.476 -0.000 -5.547) 19.291 32.677 ( 0.784 -0.000 -22.316) 22.329 35.243 ( -0.586 0.000 0.975) 1.138 35.347 ( -1.379 0.000 -2.032) 2.456 36.648 ( 5.969 -0.000 12.686) 14.020 37.732 ( 0.181 -0.000 -23.711) 23.712 ======================= Grid point 296 (157/201) ======================= q-point: (-0.38 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -12.242 12.860 8.990) 19.901 2.934 ( -11.770 -2.532 12.146) 17.102 2.998 ( -13.377 -0.591 13.810) 19.236 3.289 ( 1.552 11.697 -6.210) 13.334 3.600 ( -2.779 -1.298 -5.015) 5.879 3.693 ( 5.827 -5.301 -3.854) 8.770 3.792 ( 2.406 1.753 3.782) 4.813 4.234 ( -5.573 -0.535 -12.090) 13.323 5.100 ( -4.693 -0.569 11.253) 12.206 5.484 ( 0.881 3.528 -5.336) 6.457 5.728 ( -0.908 -0.154 6.151) 6.220 5.966 ( -2.498 3.949 22.232) 22.718 6.184 ( 13.147 -5.945 -2.186) 14.594 6.521 ( -6.786 -2.285 0.756) 7.201 6.828 ( -6.436 -0.603 25.419) 26.228 7.271 ( 5.915 1.541 -1.094) 6.210 7.769 ( 2.124 1.143 -5.827) 6.306 7.845 ( -3.384 -0.537 6.629) 7.462 7.883 ( -1.292 -2.104 7.578) 7.970 8.316 ( -18.335 -0.411 19.759) 26.958 9.255 ( 5.441 -4.133 -2.534) 7.287 9.702 ( 5.070 -2.163 -3.623) 6.596 9.773 ( 0.441 2.173 -21.936) 22.048 9.938 ( 1.416 1.813 3.478) 4.170 10.324 ( -3.589 -3.035 4.916) 6.801 10.740 ( 5.645 0.185 -10.664) 12.067 11.764 ( -3.070 0.295 18.045) 18.307 12.172 ( -11.619 0.882 13.311) 17.691 12.644 ( 5.428 0.518 -10.823) 12.119 13.035 ( 7.408 0.405 -10.874) 13.164 13.655 ( 0.286 -1.376 -2.550) 2.911 14.313 ( 8.138 -0.137 -20.391) 21.956 14.732 ( 0.449 9.253 0.880) 9.305 14.996 ( 3.223 -2.543 -2.913) 5.034 16.564 ( -5.181 -1.072 14.321) 15.267 16.681 ( -1.891 -2.084 8.065) 8.542 16.898 ( 0.591 0.003 18.369) 18.379 16.965 ( -4.577 0.291 7.221) 8.555 19.888 ( 0.836 -1.086 10.735) 10.822 20.960 ( -4.642 2.069 8.305) 9.736 21.270 ( 7.661 -2.746 -31.228) 32.271 22.087 ( 5.530 1.393 -22.410) 23.124 28.341 ( -13.561 -4.342 39.931) 42.394 28.763 ( 1.866 6.531 40.060) 40.632 29.819 ( -5.670 -0.407 -10.815) 12.218 30.274 ( 3.445 -2.887 -25.131) 25.530 31.234 ( -8.643 1.234 7.587) 11.567 31.412 ( -1.534 -0.640 21.199) 21.264 31.978 ( 21.979 -0.640 -6.394) 22.900 32.563 ( -2.637 1.007 -22.894) 23.067 35.290 ( 2.291 -2.907 1.606) 4.035 35.389 ( 3.674 -6.240 -1.567) 7.409 36.728 ( 1.574 3.266 12.133) 12.663 37.563 ( -5.744 3.862 -24.763) 25.712 ======================= Grid point 297 (158/201) ======================= q-point: (-0.25 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -14.885 11.173 9.082) 20.710 2.705 ( -25.957 5.002 10.331) 28.381 2.859 ( -4.503 8.747 16.166) 18.924 3.264 ( 3.275 -2.630 0.728) 4.263 3.552 ( -2.203 -0.211 -2.133) 3.073 3.804 ( 3.656 2.434 -1.679) 4.703 3.873 ( 6.640 -8.336 -2.887) 11.042 4.165 ( -1.652 -2.776 -8.960) 9.524 5.077 ( -4.596 1.078 7.580) 8.930 5.418 ( 1.303 4.473 -5.195) 6.978 5.697 ( -3.438 3.050 2.256) 5.119 5.965 ( -3.494 5.457 27.401) 28.157 6.401 ( 8.487 -4.585 -1.801) 9.813 6.478 ( -5.934 -2.859 0.612) 6.615 6.861 ( -6.454 -0.310 25.796) 26.593 7.318 ( 7.873 2.079 -8.050) 11.451 7.767 ( 2.942 -1.378 -11.742) 12.184 7.825 ( -0.117 -0.926 -5.039) 5.125 7.951 ( -11.022 -2.168 41.352) 42.850 8.189 ( -12.391 -1.744 10.541) 16.361 9.392 ( 4.510 -7.902 -3.429) 9.724 9.641 ( 1.246 4.128 -21.384) 21.814 9.782 ( 1.962 -1.430 1.728) 2.980 9.934 ( 2.214 2.420 1.232) 3.504 10.371 ( -0.515 -4.981 1.457) 5.216 10.750 ( 4.434 0.895 -11.786) 12.624 11.808 ( -2.067 -0.184 19.131) 19.243 12.053 ( -12.188 1.530 12.053) 17.209 12.668 ( 7.502 1.351 -11.355) 13.677 13.052 ( 4.080 1.208 -11.348) 12.120 13.682 ( -0.905 -4.005 -0.020) 4.106 14.279 ( 3.557 8.636 -6.216) 11.219 14.663 ( 3.208 0.844 -8.907) 9.505 15.018 ( 5.248 2.603 -9.770) 11.392 16.598 ( -3.859 -3.146 14.303) 15.144 16.706 ( -3.047 -0.659 8.543) 9.094 16.937 ( -4.082 -0.252 6.134) 7.373 16.980 ( 1.238 1.197 16.802) 16.890 19.959 ( 0.074 -0.568 12.490) 12.504 20.899 ( -4.256 2.841 8.017) 9.511 21.308 ( 9.822 -5.296 -30.530) 32.506 22.030 ( 4.722 2.371 -22.522) 23.133 28.401 ( -16.279 -7.044 39.619) 43.408 28.821 ( 4.149 15.343 38.208) 41.382 29.777 ( 3.142 -1.891 -8.668) 9.411 30.271 ( 1.640 -7.077 -22.379) 23.528 31.145 ( -5.375 2.474 5.439) 8.037 31.484 ( -3.806 -1.612 21.615) 22.006 32.202 ( 11.384 0.043 -13.397) 17.580 32.420 ( 3.805 1.666 -18.511) 18.972 35.384 ( 3.731 -4.446 1.883) 6.102 35.598 ( 8.914 -10.875 -0.585) 14.074 36.694 ( -3.378 6.720 9.615) 12.207 37.291 ( -9.044 5.061 -24.300) 26.418 ======================= Grid point 298 (159/201) ======================= q-point: (-0.12 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -16.507 2.895 5.316) 17.582 2.423 ( -19.657 -1.082 15.986) 25.360 2.754 ( -0.588 10.409 15.803) 18.932 3.380 ( 4.047 -5.541 1.012) 6.936 3.528 ( -4.974 -3.678 -1.567) 6.382 3.795 ( 3.242 3.508 -3.091) 5.689 4.068 ( 7.183 -8.494 -3.436) 11.643 4.163 ( -0.946 -1.839 -4.874) 5.295 5.038 ( -3.464 -0.111 5.442) 6.452 5.355 ( 1.954 4.270 -4.081) 6.222 5.586 ( -4.583 5.940 1.159) 7.592 5.960 ( -4.687 4.549 28.310) 29.054 6.392 ( -5.150 0.660 -3.594) 6.315 6.567 ( 4.522 -4.084 1.518) 6.280 6.894 ( -6.905 -0.863 26.255) 27.161 7.329 ( 6.384 2.095 -16.103) 17.448 7.753 ( -7.551 -0.370 8.475) 11.357 7.823 ( -0.929 0.497 4.857) 4.970 8.011 ( -7.438 -5.369 20.153) 22.143 8.177 ( -1.556 -1.952 12.968) 13.206 9.498 ( -1.221 0.687 -20.763) 20.810 9.559 ( 7.235 -3.862 -5.013) 9.612 9.782 ( 0.850 5.792 7.558) 9.560 9.968 ( 1.816 -3.671 -3.845) 5.618 10.444 ( 1.503 -3.776 -1.088) 4.208 10.730 ( 2.695 1.072 -12.250) 12.588 11.874 ( -3.805 -0.399 20.043) 20.405 11.941 ( -8.342 0.456 12.367) 14.925 12.697 ( 8.668 2.148 -12.107) 15.044 13.009 ( 0.644 1.921 -12.058) 12.227 13.748 ( -2.391 -7.642 3.046) 8.567 14.132 ( 0.399 13.494 3.625) 13.978 14.674 ( 3.233 -1.609 -14.863) 15.295 15.003 ( 7.896 2.692 -15.763) 17.835 16.665 ( -3.322 -3.883 13.815) 14.730 16.693 ( -3.556 1.866 9.710) 10.507 16.917 ( -4.460 -0.836 5.756) 7.329 17.029 ( 0.221 2.527 14.180) 14.405 19.997 ( -1.793 1.761 13.484) 13.717 20.854 ( -2.763 1.594 7.888) 8.509 21.401 ( 11.405 -6.450 -30.264) 32.979 21.958 ( 4.891 2.624 -22.163) 22.847 28.453 ( -18.456 -7.930 38.838) 43.725 28.763 ( 2.014 19.770 34.912) 40.171 29.856 ( 11.298 -0.161 -7.966) 13.825 30.332 ( 1.241 -10.306 -17.085) 19.992 31.076 ( -2.086 3.267 4.210) 5.722 31.542 ( -6.146 -2.452 21.787) 22.769 32.043 ( -10.973 2.916 -21.429) 24.251 32.557 ( 19.377 -0.029 -12.659) 23.146 35.533 ( 6.382 -5.877 3.466) 9.342 35.849 ( 7.152 -7.166 0.522) 10.137 36.519 ( -9.593 10.337 1.697) 14.204 37.062 ( -3.094 -0.770 -19.696) 19.953 ======================= Grid point 304 (160/201) ======================= q-point: (-0.38 -0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -18.313 0.000 11.334) 21.537 2.702 ( -17.840 0.000 11.540) 21.248 2.998 ( -4.433 0.000 16.087) 16.686 3.347 ( -15.269 0.000 -0.073) 15.269 3.507 ( 6.861 -0.000 -5.773) 8.967 3.700 ( 3.379 -0.000 -5.498) 6.453 3.853 ( 2.115 -0.000 7.887) 8.165 4.089 ( -5.385 0.000 -12.177) 13.315 5.069 ( -5.180 0.000 9.332) 10.673 5.466 ( -2.754 0.000 -4.580) 5.344 5.810 ( 5.949 -0.000 2.998) 6.662 6.073 ( -3.218 0.000 27.305) 27.494 6.298 ( 12.006 -0.000 -1.170) 12.063 6.426 ( -4.607 0.000 -1.836) 4.959 6.861 ( -5.265 0.000 26.266) 26.788 7.358 ( 7.248 -0.000 -2.918) 7.814 7.731 ( 1.895 -0.000 -17.461) 17.564 7.812 ( 6.026 -0.000 -27.917) 28.560 7.921 ( -12.657 0.000 49.082) 50.688 8.151 ( -18.844 0.000 21.091) 28.283 9.258 ( 1.571 -0.000 -2.512) 2.963 9.711 ( 2.681 -0.000 -23.107) 23.262 9.737 ( 4.450 -0.000 -2.396) 5.054 10.001 ( 3.454 -0.000 3.075) 4.625 10.278 ( -3.411 0.000 6.906) 7.702 10.765 ( 5.020 -0.000 -11.455) 12.507 11.809 ( -2.204 0.000 18.030) 18.165 12.075 ( -12.712 0.000 12.721) 17.984 12.686 ( 7.801 -0.000 -11.564) 13.949 13.073 ( 4.552 -0.000 -9.958) 10.949 13.640 ( 0.548 -0.000 -3.381) 3.425 14.326 ( 9.838 -0.000 -24.660) 26.550 14.799 ( -2.034 0.000 -0.410) 2.075 15.022 ( 5.054 -0.000 -0.687) 5.100 16.549 ( -4.569 0.000 12.999) 13.778 16.685 ( -1.214 0.000 9.001) 9.082 16.941 ( -4.223 0.000 6.716) 7.933 16.999 ( 2.288 -0.000 19.482) 19.615 19.949 ( 2.020 -0.000 11.537) 11.713 20.951 ( -4.969 0.000 9.206) 10.462 21.218 ( 8.908 -0.000 -32.023) 33.239 22.062 ( 4.019 -0.000 -22.115) 22.478 28.301 ( -14.944 0.000 40.333) 43.013 29.096 ( 14.093 -0.000 41.347) 43.683 29.713 ( -3.031 0.000 -7.483) 8.073 30.162 ( 0.462 -0.000 -26.931) 26.935 31.185 ( -4.994 0.000 5.851) 7.692 31.460 ( -4.149 0.000 21.282) 21.682 32.202 ( 15.296 -0.000 -11.727) 19.275 32.454 ( 2.092 -0.000 -20.001) 20.110 35.353 ( 7.438 -0.000 2.575) 7.871 35.381 ( 5.071 -0.000 -1.451) 5.274 36.795 ( -2.870 0.000 11.496) 11.848 37.364 ( -12.346 0.000 -25.554) 28.380 ======================= Grid point 305 (161/201) ======================= q-point: (-0.25 -0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -16.538 10.588 14.895) 24.647 2.444 ( -29.071 4.525 14.609) 32.848 2.992 ( -2.920 3.677 15.180) 15.890 3.188 ( -11.064 -7.734 5.139) 14.445 3.520 ( 1.175 4.268 -6.825) 8.135 3.796 ( 4.256 -9.151 -3.885) 10.814 3.890 ( 4.092 3.390 -0.217) 5.318 4.072 ( 1.165 -5.520 -3.437) 6.605 5.023 ( -6.046 1.555 5.160) 8.099 5.401 ( -4.281 -0.065 -2.916) 5.180 5.845 ( 5.173 7.043 3.821) 9.538 6.100 ( -5.740 4.492 28.185) 29.112 6.378 ( -3.728 -2.117 -1.036) 4.410 6.460 ( 9.487 -2.184 -1.931) 9.925 6.901 ( -5.148 0.884 24.935) 25.477 7.414 ( 7.752 3.355 -9.931) 13.037 7.700 ( 1.723 -2.472 -14.721) 15.026 7.800 ( 5.183 -1.916 -16.241) 17.155 7.906 ( -18.531 -1.967 33.378) 38.228 8.089 ( -9.435 -2.408 30.200) 31.731 9.281 ( -1.482 -5.888 -6.243) 8.708 9.653 ( 5.358 2.550 -18.675) 19.595 9.788 ( 2.628 -1.703 -1.401) 3.431 10.032 ( 3.579 4.020 3.051) 6.187 10.308 ( -0.829 -4.371 4.831) 6.568 10.764 ( 3.728 0.878 -12.631) 13.199 11.862 ( -1.861 -0.154 18.691) 18.784 11.964 ( -11.941 0.613 12.523) 17.315 12.739 ( 9.091 0.743 -12.784) 15.704 13.061 ( 1.399 1.236 -9.862) 10.037 13.638 ( -0.067 -1.063 -2.336) 2.568 14.349 ( 8.421 0.323 -21.544) 23.133 14.722 ( -0.779 5.850 -0.667) 5.939 15.071 ( 4.781 0.885 -6.736) 8.307 16.566 ( -3.580 -2.208 12.108) 12.818 16.714 ( -1.180 -0.158 9.892) 9.963 16.913 ( -4.037 0.391 6.013) 7.253 17.104 ( 3.025 1.845 17.753) 18.103 20.025 ( 1.747 0.385 12.741) 12.866 20.912 ( -4.723 1.874 8.874) 10.226 21.236 ( 10.446 -4.134 -31.471) 33.417 22.008 ( 3.304 0.874 -21.937) 22.201 28.294 ( -16.213 -2.965 39.908) 43.177 29.337 ( 13.798 18.840 31.284) 39.038 29.774 ( 10.003 -7.243 1.502) 12.441 30.088 ( 0.457 -5.519 -24.237) 24.861 31.152 ( -2.013 1.612 5.028) 5.651 31.491 ( -6.171 -1.020 20.982) 21.895 32.122 ( -8.524 2.028 -23.419) 25.004 32.565 ( 20.049 0.387 -11.411) 23.072 35.431 ( 7.319 -0.118 1.447) 7.462 35.574 ( 9.999 -9.583 0.635) 13.864 36.742 ( -7.864 4.721 8.541) 12.533 37.063 ( -15.779 0.078 -23.466) 28.278 ======================= Grid point 306 (162/201) ======================= q-point: (-0.12 -0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -22.451 12.106 15.216) 29.701 2.205 ( -18.336 -3.045 20.324) 27.542 2.973 ( 0.348 5.991 16.169) 17.247 3.270 ( -5.676 -12.043 5.960) 14.586 3.423 ( -1.645 2.023 -9.623) 9.970 3.880 ( 4.271 3.580 -4.806) 7.359 3.979 ( 4.463 -9.963 -2.817) 11.274 4.155 ( 1.250 -1.601 2.364) 3.117 4.925 ( -7.919 0.665 2.358) 8.289 5.345 ( -4.029 -0.818 -1.149) 4.269 5.782 ( 2.906 11.761 5.226) 13.193 6.068 ( -6.358 4.339 26.176) 27.284 6.347 ( -1.531 0.582 -3.244) 3.634 6.590 ( 6.160 -2.521 -0.128) 6.657 6.919 ( -6.342 0.760 25.356) 26.148 7.362 ( 3.840 4.476 -18.419) 19.340 7.694 ( -6.646 -0.011 10.890) 12.758 7.812 ( -4.084 -2.237 5.427) 7.151 7.919 ( 1.419 -6.190 -1.026) 6.433 8.180 ( -5.530 -4.486 30.271) 31.097 9.317 ( -2.186 -7.768 -14.154) 16.293 9.634 ( 7.112 2.077 -10.824) 13.117 9.835 ( 0.551 -2.392 -0.214) 2.464 10.013 ( 3.177 6.082 2.091) 7.174 10.403 ( 1.889 -5.263 2.265) 6.033 10.728 ( 2.265 1.747 -13.640) 13.937 11.853 ( -10.543 1.132 15.007) 18.375 11.943 ( -1.198 -1.662 17.402) 17.522 12.780 ( 8.441 1.560 -14.020) 16.439 12.995 ( -0.250 2.554 -10.321) 10.635 13.655 ( -1.225 -3.448 0.343) 3.675 14.309 ( 3.519 7.995 -8.771) 12.379 14.657 ( 2.828 1.572 -8.761) 9.339 15.062 ( 4.850 2.662 -12.877) 14.015 16.615 ( -3.436 -3.634 11.140) 12.211 16.736 ( -1.253 1.396 11.867) 12.014 16.879 ( -4.185 0.139 5.198) 6.675 17.157 ( 1.615 4.888 14.374) 15.268 20.075 ( -0.166 2.444 13.536) 13.756 20.867 ( -3.915 1.353 8.288) 9.265 21.324 ( 11.669 -6.556 -31.107) 33.865 21.944 ( 3.652 1.003 -21.752) 22.080 28.303 ( -17.212 -4.710 38.920) 42.816 29.257 ( 5.480 22.338 22.157) 31.936 29.985 ( 11.690 -0.935 -13.387) 17.797 30.198 ( 12.062 -5.798 -0.971) 13.419 31.132 ( 0.474 2.702 5.063) 5.759 31.509 ( -8.017 -1.814 20.575) 22.156 31.838 ( -13.220 2.928 -22.114) 25.930 32.747 ( 17.172 1.043 -14.027) 22.197 35.573 ( 8.717 -4.209 2.843) 10.089 35.850 ( 9.316 -8.525 1.129) 12.679 36.499 ( -14.861 9.226 -3.956) 17.934 36.861 ( -8.382 -6.514 -12.567) 16.451 ======================= Grid point 313 (163/201) ======================= q-point: (-0.25 -0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -26.883 0.000 20.998) 34.112 2.339 ( -19.887 0.000 21.225) 29.086 2.893 ( -15.934 0.000 7.878) 17.775 3.044 ( -1.588 0.000 10.254) 10.376 3.636 ( 3.744 -0.000 0.512) 3.778 3.687 ( 0.065 -0.000 -8.172) 8.173 4.005 ( 4.432 -0.000 4.706) 6.465 4.054 ( 8.027 -0.000 -6.267) 10.183 5.001 ( -3.290 0.000 0.622) 3.348 5.321 ( -5.982 0.000 -0.235) 5.986 5.957 ( 0.201 -0.000 7.777) 7.780 6.163 ( -9.040 0.000 29.643) 30.991 6.317 ( -1.722 0.000 -1.799) 2.490 6.555 ( 8.472 -0.000 -3.173) 9.046 6.942 ( -6.204 0.000 23.059) 23.879 7.536 ( 9.481 -0.000 -7.571) 12.133 7.627 ( 3.514 -0.000 -21.516) 21.801 7.763 ( -19.488 0.000 31.350) 36.914 7.781 ( 9.027 -0.000 -23.702) 25.363 8.110 ( -10.907 0.000 43.752) 45.091 9.173 ( -2.960 0.000 -8.999) 9.474 9.675 ( 6.582 -0.000 -15.413) 16.760 9.792 ( 1.237 -0.000 -3.354) 3.575 10.137 ( 5.095 -0.000 2.097) 5.510 10.287 ( -0.254 0.000 7.420) 7.424 10.757 ( 2.630 -0.000 -13.573) 13.825 11.871 ( -10.958 0.000 15.447) 18.939 11.921 ( -1.846 0.000 16.438) 16.542 12.804 ( 8.525 -0.000 -13.593) 16.045 13.035 ( -0.065 0.000 -9.743) 9.743 13.621 ( 0.248 -0.000 -3.071) 3.081 14.360 ( 9.077 -0.000 -25.163) 26.750 14.751 ( -1.116 0.000 -0.661) 1.297 15.103 ( 3.489 -0.000 -7.385) 8.168 16.556 ( -2.862 0.000 10.650) 11.028 16.746 ( -0.563 0.000 9.836) 9.852 16.893 ( -3.811 0.000 6.819) 7.811 17.241 ( 4.093 -0.000 15.377) 15.912 20.109 ( 1.646 -0.000 13.172) 13.275 20.900 ( -5.393 0.000 9.305) 10.755 21.209 ( 11.552 -0.000 -31.632) 33.675 21.958 ( 2.699 -0.000 -21.678) 21.845 28.235 ( -16.438 0.000 39.310) 42.609 29.659 ( 0.069 -0.000 -4.774) 4.775 29.967 ( 4.920 -0.000 -23.711) 24.216 30.079 ( 35.775 -0.000 33.695) 49.145 31.172 ( -0.393 0.000 5.988) 6.001 31.483 ( -7.337 0.000 20.024) 21.326 31.893 ( -13.379 0.000 -24.640) 28.038 32.764 ( 17.667 -0.000 -13.336) 22.135 35.556 ( 8.299 -0.000 0.037) 8.299 35.618 ( 10.516 -0.000 2.596) 10.831 36.700 ( -10.854 0.000 8.685) 13.901 36.717 ( -20.327 0.000 -21.522) 29.604 ======================= Grid point 314 (164/201) ======================= q-point: (-0.12 -0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -23.012 7.587 25.490) 35.169 2.123 ( -12.857 5.005 25.519) 29.010 2.905 ( -8.930 -12.003 10.693) 18.389 3.106 ( -0.651 -6.897 6.548) 9.532 3.494 ( 0.311 11.587 -4.135) 12.306 3.808 ( -1.631 -9.491 -0.452) 9.640 4.045 ( 7.945 3.056 -2.696) 8.929 4.172 ( 6.089 -1.597 -0.128) 6.296 4.914 ( -3.377 5.634 -2.337) 6.972 5.259 ( -5.726 -1.391 1.096) 5.994 5.919 ( -6.273 5.343 11.711) 14.320 6.145 ( -6.875 2.918 25.330) 26.408 6.324 ( 0.488 -1.857 -0.734) 2.056 6.639 ( 5.502 -1.063 -2.337) 6.071 6.948 ( -7.315 0.118 23.861) 24.957 7.429 ( 2.040 9.779 -14.285) 17.431 7.680 ( -13.015 -0.070 24.596) 27.827 7.713 ( 7.190 -4.568 -14.090) 16.465 7.873 ( 8.191 -6.350 -11.443) 15.439 8.171 ( -10.785 -3.097 40.090) 41.631 9.138 ( -1.872 -5.444 -11.802) 13.131 9.694 ( 6.716 0.918 -12.216) 13.971 9.787 ( -0.833 -1.537 -5.500) 5.771 10.164 ( 4.538 5.330 3.278) 7.729 10.375 ( 2.783 -4.711 5.670) 7.880 10.715 ( 1.466 1.252 -13.720) 13.855 11.801 ( -9.333 0.513 16.043) 18.567 11.975 ( -2.217 -1.179 16.730) 16.917 12.819 ( 2.629 1.117 -12.128) 12.459 12.994 ( 3.776 1.428 -12.344) 12.987 13.617 ( 0.053 -0.737 -1.855) 1.996 14.363 ( 6.747 0.651 -21.608) 22.646 14.707 ( 1.012 3.993 -2.555) 4.847 15.089 ( 2.285 1.709 -10.656) 11.032 16.581 ( -2.675 -1.947 9.980) 10.514 16.775 ( -1.709 -0.490 8.506) 8.690 16.872 ( -2.826 1.691 8.905) 9.495 17.312 ( 2.474 4.577 11.371) 12.505 20.163 ( -0.584 1.935 13.581) 13.731 20.858 ( -5.559 0.805 8.382) 10.090 21.266 ( 12.539 -4.440 -30.691) 33.450 21.900 ( 3.098 0.048 -21.701) 21.921 28.203 ( -16.690 -2.150 38.231) 41.771 29.560 ( -0.274 8.136 -4.281) 9.198 29.991 ( 10.248 -0.062 -16.347) 19.293 30.608 ( 31.151 8.681 16.887) 36.482 31.194 ( 0.520 1.018 7.648) 7.733 31.473 ( -7.931 -0.455 19.029) 20.621 31.599 ( -13.119 0.841 -19.893) 23.844 32.887 ( 12.053 0.900 -16.435) 20.401 35.658 ( 8.393 -0.964 1.953) 8.671 35.850 ( 9.919 -9.542 1.250) 13.820 36.356 ( -16.373 4.514 -12.325) 20.985 36.611 ( -12.331 -5.229 1.943) 13.534 ======================= Grid point 322 (165/201) ======================= q-point: (-0.12 -0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -7.387 0.000 29.823) 30.724 2.103 ( -14.608 0.000 29.578) 32.988 2.799 ( 0.591 -0.000 11.811) 11.826 3.039 ( -3.429 0.000 0.266) 3.440 3.629 ( 0.975 -0.000 -5.508) 5.593 3.655 ( -4.855 0.000 6.983) 8.505 4.130 ( 4.903 -0.000 -1.782) 5.216 4.287 ( 11.487 -0.000 -1.935) 11.649 4.909 ( -2.204 0.000 -7.175) 7.506 5.180 ( -6.059 0.000 1.473) 6.236 5.891 ( -12.515 0.000 16.859) 20.996 6.181 ( -7.382 0.000 25.047) 26.112 6.326 ( 2.772 -0.000 2.103) 3.479 6.673 ( 3.562 -0.000 -5.428) 6.493 6.950 ( -7.629 0.000 25.234) 26.362 7.482 ( -10.147 0.000 11.911) 15.647 7.586 ( 6.924 -0.000 -18.542) 19.793 7.786 ( -0.121 0.000 13.362) 13.363 7.864 ( 12.584 -0.000 -22.936) 26.162 8.160 ( -14.457 0.000 41.630) 44.069 9.033 ( -0.692 0.000 -10.423) 10.446 9.729 ( -2.105 0.000 -8.057) 8.328 9.731 ( 6.536 -0.000 -12.559) 14.158 10.266 ( 4.386 -0.000 -2.855) 5.233 10.418 ( 4.370 -0.000 10.529) 11.400 10.683 ( 0.786 -0.000 -11.879) 11.905 11.770 ( -7.400 0.000 17.882) 19.353 11.996 ( -3.844 0.000 15.441) 15.912 12.774 ( -3.507 0.000 -8.578) 9.267 13.024 ( 8.194 -0.000 -16.077) 18.045 13.610 ( 0.862 -0.000 -2.523) 2.666 14.350 ( 6.646 -0.000 -24.578) 25.461 14.744 ( 1.748 -0.000 -2.383) 2.956 15.075 ( 0.516 -0.000 -10.072) 10.085 16.577 ( -2.263 0.000 9.598) 9.861 16.757 ( -4.129 0.000 5.030) 6.508 16.915 ( -0.643 0.000 12.618) 12.634 17.411 ( 0.726 -0.000 6.989) 7.027 20.212 ( -3.544 0.000 13.856) 14.302 20.818 ( -6.542 0.000 7.719) 10.118 21.275 ( 13.899 -0.000 -29.061) 32.214 21.847 ( 3.355 -0.000 -21.921) 22.176 28.137 ( -16.404 0.000 37.101) 40.566 29.543 ( -0.477 0.000 -13.995) 14.003 30.120 ( 15.335 -0.000 -9.616) 18.101 30.915 ( -12.206 0.000 -9.278) 15.332 31.238 ( -0.981 0.000 11.670) 11.711 31.457 ( -6.353 0.000 17.428) 18.550 31.561 ( 23.217 -0.000 -1.917) 23.296 32.931 ( 5.403 -0.000 -19.081) 19.831 35.762 ( 6.564 -0.000 1.350) 6.702 35.884 ( 8.061 -0.000 1.415) 8.184 36.183 ( -5.972 0.000 -8.112) 10.073 36.415 ( -15.315 0.000 5.241) 16.187 ======================= Grid point 323 (166/201) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 9.300 -0.000 12.508) 15.587 2.644 ( -6.675 0.000 23.911) 24.825 2.731 ( -6.899 0.000 -7.960) 10.534 2.992 ( 9.009 -0.000 -11.518) 14.623 3.665 ( -9.258 0.000 3.752) 9.989 3.686 ( 7.417 -0.000 1.227) 7.518 4.235 ( 6.424 -0.000 2.142) 6.771 4.366 ( -3.181 0.000 -10.984) 11.435 4.797 ( 7.082 -0.000 6.908) 9.893 4.926 ( -8.585 0.000 -5.603) 10.251 6.177 ( -6.894 0.000 22.462) 23.496 6.461 ( -9.358 0.000 9.083) 13.041 6.491 ( -0.879 0.000 -9.654) 9.694 6.565 ( 10.693 -0.000 -1.382) 10.782 7.232 ( -3.574 0.000 5.498) 6.557 7.342 ( 3.867 -0.000 -11.032) 11.690 7.418 ( -5.330 0.000 4.407) 6.916 7.645 ( 12.272 -0.000 -16.424) 20.503 8.482 ( -8.795 0.000 30.129) 31.387 8.773 ( -14.852 0.000 36.499) 39.405 8.826 ( 4.835 -0.000 -9.440) 10.606 9.401 ( 8.115 -0.000 -26.710) 27.915 9.551 ( -4.795 0.000 6.426) 8.018 9.861 ( 6.103 -0.000 -23.129) 23.920 10.691 ( -1.599 0.000 4.253) 4.544 10.728 ( 2.768 -0.000 1.353) 3.081 12.183 ( -1.053 0.000 17.973) 18.004 12.282 ( -8.228 0.000 18.622) 20.359 12.454 ( -1.063 0.000 -10.573) 10.626 12.686 ( 7.799 -0.000 -21.962) 23.306 13.649 ( -1.329 0.000 6.136) 6.279 13.879 ( 4.774 -0.000 -17.935) 18.559 14.780 ( 1.301 -0.000 1.878) 2.285 14.849 ( -0.789 0.000 -5.199) 5.259 16.737 ( 1.046 -0.000 3.361) 3.520 16.743 ( -3.793 0.000 2.332) 4.453 17.244 ( 0.343 -0.000 9.995) 10.001 17.379 ( -3.385 0.000 -3.590) 4.934 20.478 ( -16.013 0.000 22.198) 27.371 20.944 ( 17.790 -0.000 -25.427) 31.032 20.962 ( -4.360 0.000 15.298) 15.907 21.325 ( 4.933 -0.000 -21.825) 22.375 28.664 ( -13.753 0.000 29.433) 32.487 29.156 ( 10.714 -0.000 -21.563) 24.077 30.144 ( -24.538 0.000 6.659) 25.425 30.291 ( 16.853 -0.000 -8.386) 18.824 31.611 ( -8.906 0.000 16.721) 18.945 31.870 ( 1.801 -0.000 21.126) 21.203 31.917 ( 13.952 -0.000 -15.116) 20.571 32.294 ( -4.984 0.000 -22.721) 23.261 35.928 ( 0.548 -0.000 2.837) 2.889 35.987 ( 0.852 -0.000 -3.195) 3.307 36.134 ( -16.675 0.000 6.154) 17.774 36.259 ( 19.037 -0.000 -6.638) 20.161 ======================= Grid point 324 (167/201) ======================= q-point: ( 0.12 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -2.411 10.043 7.069) 12.516 2.654 ( 6.090 6.230 -1.049) 8.775 2.858 ( 0.991 -12.386 9.264) 15.499 3.103 ( 9.179 -2.417 -8.273) 12.592 3.579 ( -5.585 -2.601 1.173) 6.272 3.802 ( 7.541 -1.353 0.575) 7.683 4.195 ( -5.258 7.051 -5.817) 10.546 4.297 ( 1.825 1.729 -3.223) 4.088 4.792 ( -5.422 1.897 -3.143) 6.548 4.935 ( 8.603 -0.097 6.340) 10.687 6.189 ( -6.790 0.145 23.434) 24.398 6.319 ( -10.772 3.591 4.607) 12.254 6.466 ( -4.288 -3.785 -7.321) 9.290 6.672 ( 9.218 2.709 -1.307) 9.696 7.170 ( -3.795 4.390 1.230) 5.932 7.237 ( 1.055 6.459 -2.979) 7.191 7.498 ( -0.901 -9.951 -1.825) 10.157 7.744 ( 9.585 -2.320 -15.318) 18.218 8.466 ( -13.875 -1.662 26.195) 29.689 8.769 ( -5.850 1.866 30.789) 31.396 8.885 ( 1.263 -4.995 -0.965) 5.241 9.408 ( 10.954 0.283 -25.888) 28.111 9.547 ( -4.565 -3.238 9.233) 10.797 9.872 ( 5.569 -3.680 -19.367) 20.485 10.641 ( -3.270 4.439 3.478) 6.519 10.734 ( 0.613 2.189 -2.611) 3.462 12.245 ( -0.450 1.122 16.384) 16.429 12.256 ( -8.768 -0.310 20.426) 22.230 12.404 ( 1.308 0.457 -10.621) 10.711 12.686 ( 6.331 -0.264 -20.848) 21.790 13.684 ( -1.406 -3.565 7.229) 8.182 13.902 ( 5.050 -4.705 -17.375) 18.696 14.739 ( -1.667 7.139 1.497) 7.482 14.825 ( 2.653 1.513 -4.240) 5.225 16.717 ( -3.410 -1.407 2.981) 4.743 16.777 ( 1.105 -1.456 4.004) 4.402 17.267 ( -1.059 2.362 9.170) 9.528 17.290 ( -4.984 2.773 -1.296) 5.849 20.359 ( -16.273 -0.314 22.011) 27.375 20.985 ( -0.781 0.553 11.625) 11.664 21.044 ( 12.871 0.681 -22.189) 25.661 21.326 ( 7.875 -1.886 -20.542) 22.081 28.650 ( -10.829 -2.930 29.433) 31.498 29.231 ( 13.311 -1.214 -20.342) 24.340 29.847 ( -23.580 3.852 14.236) 27.812 30.447 ( 15.048 2.976 -5.667) 16.353 31.500 ( -13.646 4.322 12.093) 18.738 31.946 ( 3.469 1.620 -13.689) 14.215 31.985 ( 0.599 0.539 18.631) 18.649 32.154 ( 1.905 1.648 -19.524) 19.686 35.865 ( -5.906 3.731 3.926) 8.013 35.976 ( -0.504 0.054 -3.912) 3.944 36.057 ( -9.216 -8.736 3.902) 13.284 36.514 ( 20.996 -2.354 -9.314) 23.090 ======================= Grid point 325 (168/201) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 1.201 10.187 -3.882) 10.967 2.658 ( 5.596 5.385 5.963) 9.791 2.945 ( -6.403 -1.549 0.914) 6.651 3.247 ( 6.360 -5.360 5.312) 9.869 3.628 ( 3.509 -5.095 -7.338) 9.598 3.877 ( 1.247 2.366 -1.956) 3.314 4.021 ( -0.262 5.033 -4.615) 6.834 4.251 ( 0.198 2.641 -3.586) 4.458 4.741 ( 0.985 -0.619 0.870) 1.453 5.083 ( 9.576 -1.092 5.413) 11.054 6.036 ( -16.447 7.182 3.051) 18.204 6.281 ( -5.387 -2.253 23.439) 24.155 6.400 ( -6.944 -1.690 -8.166) 10.851 6.704 ( 5.440 5.349 -0.232) 7.633 7.059 ( 1.350 4.380 -10.155) 11.141 7.206 ( 0.397 1.197 5.131) 5.283 7.616 ( -0.274 -8.398 -2.485) 8.762 7.813 ( 6.754 -1.045 -11.585) 13.451 8.414 ( -15.093 -2.131 25.767) 29.938 8.820 ( -1.350 -0.157 17.785) 17.837 8.968 ( -0.494 -4.187 5.398) 6.850 9.449 ( 11.769 0.702 -21.786) 24.771 9.605 ( -4.173 -6.570 12.224) 14.492 9.932 ( 4.372 -5.467 -14.410) 16.021 10.528 ( -3.414 6.314 1.619) 7.358 10.666 ( -0.365 4.484 -6.468) 7.879 12.213 ( -9.610 -0.250 16.584) 19.169 12.292 ( 0.007 2.774 16.282) 16.517 12.395 ( 4.476 0.078 -9.106) 10.147 12.681 ( 4.278 -1.347 -18.201) 18.746 13.773 ( -1.905 -7.058 8.742) 11.396 13.982 ( 4.918 -7.161 -15.803) 18.033 14.585 ( -3.387 10.406 2.477) 11.220 14.814 ( 4.917 4.252 -5.581) 8.568 16.721 ( -2.606 -2.585 3.808) 5.289 16.838 ( 1.053 -2.446 4.686) 5.390 17.155 ( -6.188 4.056 -0.219) 7.402 17.255 ( -1.357 3.508 8.663) 9.445 20.280 ( -13.531 -2.393 22.800) 26.621 21.006 ( 4.588 2.884 -5.248) 7.544 21.066 ( 3.751 0.833 -7.368) 8.309 21.396 ( 10.173 -2.682 -19.735) 22.364 28.728 ( -6.843 -6.639 29.234) 30.750 29.345 ( 12.581 -1.165 -14.933) 19.561 29.573 ( -18.798 4.348 15.403) 24.688 30.523 ( 11.413 8.731 -5.046) 15.230 31.271 ( -14.801 5.355 7.130) 17.279 31.817 ( -8.436 -0.463 -18.409) 20.255 32.052 ( -2.202 2.030 22.947) 23.142 32.158 ( 12.506 1.683 -16.866) 21.065 35.794 ( -0.824 2.564 6.127) 6.692 35.942 ( -1.229 0.649 -2.771) 3.100 36.101 ( -10.098 -12.420 0.561) 16.017 36.742 ( 17.684 -0.296 -11.000) 20.828 ======================= Grid point 326 (169/201) ======================= q-point: ( 0.38 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -0.457 11.117 -5.830) 12.561 2.718 ( 4.914 -1.389 6.221) 8.048 2.845 ( -8.476 3.753 9.525) 13.291 3.388 ( 4.130 -2.880 -2.080) 5.448 3.671 ( 2.954 1.408 -6.829) 7.573 3.742 ( -6.446 5.180 -0.739) 8.302 4.027 ( 1.516 -3.100 -2.887) 4.500 4.232 ( 5.518 4.939 -2.616) 7.854 4.875 ( 9.006 -8.915 1.321) 12.741 5.245 ( 8.318 -1.222 3.428) 9.080 5.697 ( -18.185 8.891 2.732) 20.426 6.235 ( -9.685 0.789 -3.898) 10.470 6.391 ( -3.762 -4.084 18.177) 19.006 6.680 ( 2.529 4.548 -0.220) 5.209 7.006 ( 5.377 2.424 -14.321) 15.488 7.230 ( -0.832 -0.401 7.900) 7.954 7.681 ( -0.314 -3.130 -5.260) 6.129 7.864 ( 5.010 -1.125 -6.299) 8.127 8.367 ( -13.683 -1.378 27.756) 30.976 8.873 ( -0.172 -2.007 3.636) 4.156 9.027 ( -1.672 -0.959 11.114) 11.280 9.489 ( 9.447 1.381 -17.530) 19.961 9.723 ( -2.292 -8.521 10.885) 14.013 9.996 ( 1.561 -3.326 -5.463) 6.584 10.419 ( -0.195 4.406 -2.933) 5.296 10.557 ( -0.458 5.044 -9.056) 10.376 12.160 ( -9.471 0.015 15.500) 18.164 12.318 ( 1.105 2.476 11.507) 11.822 12.426 ( 5.914 0.688 -7.034) 9.215 12.678 ( 1.853 -2.649 -15.338) 15.675 13.896 ( -1.970 -8.287 7.659) 11.455 14.070 ( 2.737 -4.029 -8.116) 9.466 14.415 ( -2.327 7.267 -0.538) 7.649 14.784 ( 5.326 5.066 -7.562) 10.546 16.756 ( -1.488 -3.390 4.729) 6.006 16.898 ( 0.173 -0.826 4.876) 4.948 17.033 ( -4.881 2.072 0.823) 5.366 17.218 ( -1.604 3.193 6.830) 7.708 20.276 ( -10.279 -4.408 23.857) 26.348 20.963 ( 9.047 5.256 -26.230) 28.240 21.083 ( -2.261 -0.103 11.753) 11.969 21.467 ( 8.850 -1.668 -20.024) 21.956 28.907 ( -2.425 -9.954 25.936) 27.887 29.303 ( -17.410 4.840 25.718) 31.432 29.540 ( 15.115 -3.196 -19.330) 24.745 30.396 ( 0.772 15.419 -10.179) 18.492 31.133 ( -4.770 -0.616 8.105) 9.425 31.629 ( -9.480 -0.269 -16.776) 19.271 32.055 ( -7.259 2.728 22.696) 23.985 32.254 ( 14.642 -0.562 -17.933) 23.158 35.814 ( 6.184 4.563 7.463) 10.712 35.912 ( -2.275 -1.456 -2.048) 3.390 36.134 ( -11.872 -12.225 -1.578) 17.114 36.870 ( 11.999 2.892 -10.108) 15.953 ======================= Grid point 327 (170/201) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -3.624 4.745 2.064) 6.317 2.707 ( -7.768 6.866 15.076) 18.297 2.881 ( 6.617 -7.694 -0.228) 10.151 3.412 ( 0.043 2.578 -3.798) 4.591 3.572 ( -4.570 3.981 3.464) 6.981 3.686 ( 2.192 0.097 -4.380) 4.899 4.098 ( -2.666 -7.092 2.404) 7.949 4.190 ( 4.510 7.893 -4.089) 9.968 5.110 ( -0.621 1.586 1.432) 2.225 5.258 ( 0.680 -1.427 -2.176) 2.690 5.526 ( 1.463 -3.445 3.767) 5.310 6.113 ( -4.535 -0.978 -4.219) 6.271 6.474 ( -5.157 -4.024 18.211) 19.350 6.649 ( 2.178 3.083 -1.780) 4.173 6.991 ( 5.529 1.303 -14.587) 15.654 7.250 ( -2.702 -0.391 8.970) 9.377 7.664 ( -0.154 1.088 -5.162) 5.278 7.901 ( 2.986 0.536 -5.298) 6.105 8.345 ( -10.892 -0.297 30.708) 32.584 8.899 ( 1.330 -1.782 -7.431) 7.756 9.042 ( -4.615 1.860 17.706) 18.392 9.498 ( 6.591 1.819 -15.484) 16.926 9.849 ( 0.289 -5.391 0.802) 5.458 10.010 ( -2.201 0.138 8.509) 8.790 10.379 ( 3.904 2.362 -11.324) 12.209 10.469 ( 0.414 0.174 -6.491) 6.506 12.109 ( -8.598 -0.210 15.293) 17.546 12.351 ( 1.103 2.280 11.851) 12.119 12.461 ( 6.684 0.593 -10.111) 12.135 12.671 ( 0.079 -3.482 -13.964) 14.392 13.967 ( -1.381 3.039 4.813) 5.857 14.075 ( -1.863 -0.580 4.452) 4.860 14.378 ( 2.460 -4.948 -9.819) 11.267 14.757 ( 3.533 1.544 -8.248) 9.105 16.810 ( -0.995 -2.264 4.953) 5.536 16.878 ( -1.675 1.722 3.132) 3.947 16.998 ( -2.005 0.597 3.691) 4.242 17.206 ( -0.659 -1.219 4.349) 4.565 20.335 ( -7.848 -5.487 24.473) 26.280 20.886 ( 10.161 5.867 -29.840) 32.064 21.098 ( -4.226 0.085 14.186) 14.802 21.495 ( 6.657 -0.408 -20.612) 21.664 29.077 ( -8.432 0.701 19.176) 20.960 29.199 ( -7.799 -7.340 26.080) 28.193 29.706 ( 14.737 -0.330 -19.122) 24.144 30.153 ( 0.140 5.511 -10.262) 11.649 31.196 ( 3.121 -2.196 10.942) 11.589 31.449 ( -7.593 0.391 -14.916) 16.742 31.990 ( -11.008 2.816 21.190) 24.044 32.378 ( 13.218 -2.260 -19.077) 23.319 35.848 ( 7.670 7.849 5.249) 12.165 35.926 ( -2.134 -5.558 -1.479) 6.135 36.126 ( -9.361 -7.150 -1.789) 11.915 36.882 ( 4.863 5.482 -6.819) 10.010 ======================= Grid point 328 (171/201) ======================= q-point: (-0.38 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -4.922 -4.605 12.594) 14.284 2.604 ( -4.263 4.883 15.864) 17.137 3.057 ( 3.850 -5.923 -9.575) 11.899 3.303 ( -3.995 4.214 7.461) 9.454 3.510 ( -3.248 4.512 7.162) 9.067 3.746 ( 4.231 -5.095 -3.427) 7.457 4.079 ( 2.699 7.773 -4.676) 9.464 4.182 ( -4.439 -6.417 2.473) 8.185 4.884 ( -8.527 7.920 0.301) 11.642 5.293 ( -5.356 -0.087 -1.174) 5.483 5.764 ( 12.359 -11.692 -0.747) 17.030 6.133 ( 3.410 -2.852 1.048) 4.567 6.516 ( -6.562 -2.619 15.074) 16.648 6.644 ( 3.322 0.983 -3.678) 5.053 6.986 ( 4.373 -0.577 -12.653) 13.399 7.249 ( -3.975 -0.535 7.793) 8.765 7.618 ( 0.445 3.043 -2.787) 4.150 7.868 ( 1.091 4.494 -5.534) 7.212 8.357 ( -7.837 0.495 31.572) 32.534 8.895 ( 4.005 0.548 -14.480) 15.034 9.007 ( -9.665 2.951 25.273) 27.218 9.480 ( 4.922 1.459 -16.243) 17.035 9.831 ( -2.525 4.015 -0.941) 4.835 10.046 ( 1.860 -0.287 -1.752) 2.571 10.353 ( 2.899 -1.155 -5.666) 6.469 10.520 ( 3.068 -4.542 -2.652) 6.089 12.082 ( -7.051 -0.820 15.840) 17.358 12.369 ( -1.670 3.115 15.140) 15.547 12.498 ( 6.898 -0.852 -14.288) 15.889 12.661 ( 0.435 -3.353 -14.925) 15.303 13.851 ( -3.272 9.749 9.825) 14.222 14.081 ( 2.448 1.579 -8.300) 8.797 14.483 ( 2.354 -8.777 -4.879) 10.314 14.770 ( 0.590 -4.329 -7.441) 8.628 16.782 ( -1.524 3.183 2.419) 4.278 16.916 ( -1.568 -1.973 2.924) 3.860 16.970 ( -0.135 0.747 6.916) 6.957 17.270 ( 0.288 -5.227 1.866) 5.558 20.426 ( -6.751 -5.521 24.263) 25.782 20.817 ( 11.896 5.505 -29.948) 32.691 21.088 ( -6.443 0.430 14.461) 15.837 21.477 ( 4.886 0.584 -21.292) 21.853 28.964 ( -14.480 3.677 26.998) 30.856 29.322 ( -1.949 -2.370 -0.092) 3.070 29.706 ( 10.861 2.674 -18.071) 21.252 30.304 ( 7.084 -16.257 -1.800) 17.824 31.317 ( 0.017 0.648 -10.381) 10.401 31.338 ( 5.004 -1.474 12.454) 13.502 31.889 ( -12.707 1.662 19.768) 23.559 32.476 ( 9.262 -2.612 -20.741) 22.865 35.851 ( 5.333 5.684 3.541) 8.561 35.959 ( -6.122 -7.606 -6.382) 11.665 36.100 ( 2.056 3.340 2.069) 4.434 36.787 ( -3.214 6.667 -2.052) 7.680 ======================= Grid point 329 (172/201) ======================= q-point: (-0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -3.937 -9.319 18.369) 20.971 2.613 ( 0.093 -0.041 15.903) 15.904 2.964 ( -8.506 4.850 -3.679) 10.460 3.304 ( -0.706 7.905 -0.626) 7.961 3.452 ( 0.958 -2.057 9.868) 10.125 3.824 ( -3.180 -2.109 -0.260) 3.825 4.047 ( 7.823 1.207 -3.902) 8.825 4.226 ( -0.354 -5.054 0.385) 5.081 4.748 ( -3.668 0.966 -0.588) 3.838 5.178 ( -9.093 -0.054 -3.346) 9.689 6.040 ( 5.669 -7.279 6.497) 11.284 6.249 ( 7.150 -2.536 2.451) 7.973 6.518 ( -5.829 -1.691 9.391) 11.182 6.647 ( 1.796 1.928 -5.015) 5.665 7.045 ( 5.046 -6.322 -8.101) 11.448 7.239 ( -3.757 -1.894 4.624) 6.251 7.571 ( 1.935 4.264 -1.855) 5.037 7.763 ( 0.757 8.342 -5.749) 10.159 8.394 ( -6.172 0.810 31.729) 32.334 8.865 ( 6.222 3.467 -17.052) 18.480 8.934 ( -15.004 1.916 31.822) 35.234 9.450 ( 4.662 0.610 -19.291) 19.855 9.719 ( -4.878 4.871 3.120) 7.567 10.001 ( 5.211 4.447 -21.619) 22.679 10.461 ( 2.970 -6.642 6.116) 9.505 10.615 ( 3.176 -3.466 -0.129) 4.703 12.088 ( -5.089 -1.236 16.765) 17.564 12.350 ( -4.706 3.022 16.255) 17.190 12.527 ( 2.923 -1.905 -12.950) 13.412 12.656 ( 4.469 -1.956 -18.550) 19.181 13.732 ( -2.787 6.986 9.174) 11.863 14.018 ( 4.543 5.601 -15.910) 17.468 14.619 ( 1.209 -8.027 0.064) 8.118 14.817 ( -0.731 -6.188 -6.879) 9.281 16.738 ( -0.210 2.691 2.443) 3.641 16.862 ( -3.737 2.402 1.813) 4.798 17.065 ( 2.092 -3.866 8.636) 9.690 17.353 ( -0.031 -5.449 -0.961) 5.533 20.511 ( -7.486 -4.586 23.607) 25.187 20.792 ( 14.337 3.914 -28.459) 32.105 21.044 ( -8.377 0.986 14.465) 16.744 21.428 ( 3.974 1.064 -21.971) 22.353 28.847 ( -15.318 2.990 29.600) 33.463 29.231 ( 1.397 4.084 -18.767) 19.257 29.852 ( 14.971 -4.785 -9.852) 18.550 30.519 ( -10.491 -13.959 -5.115) 18.196 31.391 ( 15.116 -4.089 -4.809) 16.381 31.494 ( 6.855 -0.739 14.497) 16.053 31.803 ( -11.731 -0.644 18.845) 22.207 32.501 ( 3.692 -1.941 -22.396) 22.782 35.861 ( 4.401 3.420 2.757) 6.218 35.937 ( -4.752 -4.656 -6.420) 9.245 36.107 ( 8.673 7.103 1.284) 11.284 36.604 ( -10.902 6.234 2.575) 12.820 ======================= Grid point 330 (173/201) ======================= q-point: (-0.12 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 1.613 -9.718 18.073) 20.584 2.692 ( -1.212 3.461 20.789) 21.110 2.794 ( -7.272 -1.935 -5.835) 9.522 3.089 ( -3.039 12.466 -3.203) 13.225 3.579 ( 6.009 -2.201 1.979) 6.699 3.764 ( -6.933 0.450 3.078) 7.599 4.133 ( 6.657 -0.849 -0.918) 6.773 4.344 ( 4.317 -6.178 -4.423) 8.739 4.726 ( 0.266 -0.449 1.450) 1.541 5.053 ( -9.074 -1.005 -4.645) 10.243 6.157 ( -4.140 -1.946 17.307) 17.902 6.405 ( 9.626 -2.610 0.181) 9.975 6.500 ( -4.558 -1.573 4.241) 6.421 6.585 ( -1.543 3.943 -3.787) 5.680 7.193 ( 2.382 -7.543 -2.088) 8.181 7.260 ( -1.159 -5.389 -0.519) 5.537 7.524 ( 0.819 5.416 -1.188) 5.605 7.633 ( 5.679 8.472 -10.126) 14.372 8.443 ( -6.038 0.648 32.454) 33.017 8.817 ( -1.588 1.710 -0.864) 2.488 8.854 ( -9.741 2.290 21.057) 23.313 9.421 ( 5.717 0.001 -23.481) 24.167 9.613 ( -5.294 2.911 4.803) 7.718 9.912 ( 6.102 3.447 -25.387) 26.336 10.616 ( 2.267 -5.560 6.440) 8.805 10.687 ( 2.530 -0.865 1.668) 3.151 12.126 ( -2.993 -0.928 17.566) 17.843 12.313 ( -6.811 1.572 17.318) 18.676 12.508 ( -1.190 -1.350 -10.954) 11.101 12.672 ( 8.034 -0.566 -21.462) 22.923 13.665 ( -1.868 3.373 7.112) 8.089 13.929 ( 4.709 4.406 -18.072) 19.188 14.726 ( 0.728 -4.575 1.904) 5.009 14.854 ( -0.604 -3.955 -6.342) 7.499 16.723 ( 0.684 1.497 2.828) 3.272 16.793 ( -3.868 1.415 1.920) 4.544 17.174 ( 1.479 -2.415 9.423) 9.839 17.400 ( -1.317 -3.397 -3.320) 4.929 20.545 ( -11.372 -2.392 23.200) 25.948 20.836 ( 16.893 1.486 -26.725) 31.651 20.983 ( -7.634 1.008 14.553) 16.464 21.370 ( 4.000 0.863 -22.229) 22.603 28.741 ( -15.338 1.965 29.957) 33.713 29.150 ( 6.740 2.100 -22.068) 23.169 30.080 ( 16.068 -4.106 -8.924) 18.833 30.408 ( -20.786 -4.401 -2.503) 21.393 31.592 ( 0.447 -0.722 17.120) 17.141 31.712 ( 17.415 -5.411 -7.758) 19.818 31.790 ( -3.798 -1.595 17.512) 17.990 32.434 ( -1.850 -0.940 -23.297) 23.389 35.892 ( 3.076 0.983 3.075) 4.459 35.950 ( 2.771 -2.207 -3.308) 4.847 36.131 ( 10.443 5.309 -2.934) 12.077 36.367 ( -16.015 4.637 5.131) 17.445 ======================= Grid point 332 (174/201) ======================= q-point: ( 0.12 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 3.541 -0.000 -2.302) 4.223 2.818 ( 5.399 -0.000 8.082) 9.719 2.836 ( 7.768 -0.000 2.484) 8.155 3.205 ( 15.177 -0.000 -15.793) 21.903 3.455 ( -8.651 0.000 2.217) 8.930 3.897 ( 5.566 -0.000 6.396) 8.479 4.116 ( -5.264 0.000 -13.634) 14.615 4.286 ( -6.133 0.000 -1.486) 6.310 4.771 ( 2.513 -0.000 -1.696) 3.032 5.081 ( 8.416 -0.000 8.460) 11.933 6.169 ( -13.767 0.000 10.040) 17.039 6.250 ( -7.573 0.000 19.376) 20.803 6.339 ( -4.975 0.000 -8.031) 9.447 6.802 ( 8.305 -0.000 -1.666) 8.471 7.156 ( -6.272 0.000 5.619) 8.421 7.331 ( 3.207 -0.000 -11.448) 11.889 7.339 ( -2.420 0.000 1.729) 2.974 7.777 ( 8.926 -0.000 -18.285) 20.347 8.384 ( -14.650 0.000 28.756) 32.272 8.823 ( 2.327 -0.000 -12.990) 13.197 8.893 ( -4.750 0.000 41.474) 41.745 9.457 ( 12.625 -0.000 -24.071) 27.181 9.510 ( -3.702 0.000 9.200) 9.917 9.837 ( 5.012 -0.000 -16.235) 16.991 10.630 ( -4.177 0.000 0.321) 4.189 10.730 ( -1.875 0.000 -2.558) 3.172 12.211 ( -9.674 0.000 19.448) 21.721 12.344 ( 0.836 -0.000 18.870) 18.888 12.390 ( 3.525 -0.000 -11.405) 11.938 12.664 ( 4.407 -0.000 -20.190) 20.665 13.672 ( -1.135 0.000 6.555) 6.652 13.861 ( 5.410 -0.000 -17.094) 17.930 14.799 ( -0.064 0.000 -3.439) 3.440 14.834 ( 1.370 -0.000 2.076) 2.487 16.682 ( -2.648 0.000 3.394) 4.305 16.798 ( 0.915 -0.000 4.558) 4.649 17.223 ( -7.098 0.000 -0.386) 7.108 17.307 ( -2.115 0.000 9.874) 10.098 20.239 ( -15.539 0.000 21.699) 26.689 21.037 ( -1.182 0.000 16.466) 16.508 21.092 ( 9.556 -0.000 -28.250) 29.822 21.357 ( 12.074 -0.000 -18.734) 22.288 28.633 ( -8.256 0.000 30.544) 31.640 29.323 ( 15.960 -0.000 -21.787) 27.007 29.644 ( -22.455 0.000 18.099) 28.841 30.638 ( 12.650 -0.000 0.676) 12.668 31.390 ( -16.226 0.000 8.053) 18.115 31.807 ( -9.029 0.000 -18.464) 20.554 32.083 ( -2.499 0.000 23.907) 24.038 32.187 ( 10.624 -0.000 -19.009) 21.776 35.811 ( -8.441 0.000 0.850) 8.483 35.873 ( -5.858 0.000 1.342) 6.010 35.977 ( -1.161 0.000 1.036) 1.557 36.751 ( 23.106 -0.000 -11.590) 25.850 ======================= Grid point 333 (175/201) ======================= q-point: ( 0.25 0.12 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 12.371 11.232 -4.204) 17.230 2.816 ( 2.075 8.791 -2.729) 9.436 2.954 ( 6.054 1.590 5.819) 8.546 3.291 ( 5.121 -0.897 -0.338) 5.210 3.507 ( 3.257 -12.433 -9.415) 15.932 3.888 ( -8.474 3.459 2.863) 9.590 4.035 ( 2.032 3.285 -12.693) 13.268 4.203 ( -2.987 -4.850 -1.089) 5.800 4.826 ( 8.269 2.383 1.047) 8.668 5.223 ( 8.554 -0.106 7.877) 11.628 5.934 ( -18.140 6.198 6.070) 20.108 6.237 ( -8.699 -0.664 -3.335) 9.340 6.294 ( -4.028 -2.462 18.241) 18.842 6.835 ( 2.586 5.745 0.696) 6.339 7.089 ( -0.412 1.337 -4.343) 4.563 7.242 ( 0.053 3.290 0.480) 3.325 7.461 ( -0.180 -10.426 -3.414) 10.972 7.810 ( 6.045 -1.786 -17.467) 18.569 8.341 ( -12.729 -0.435 31.856) 34.308 8.808 ( 2.867 -1.746 -13.695) 14.101 9.010 ( -3.955 -0.294 35.179) 35.402 9.509 ( 8.509 0.175 -16.642) 18.692 9.538 ( 0.024 -3.535 4.557) 5.767 9.863 ( 4.136 -3.652 -11.730) 12.963 10.552 ( -3.296 3.273 -1.442) 4.864 10.668 ( -2.924 2.156 -4.100) 5.478 12.167 ( -9.712 0.283 19.113) 21.441 12.383 ( 4.080 1.940 -3.377) 5.641 12.438 ( 2.648 -0.203 9.354) 9.724 12.631 ( 2.472 -0.740 -18.196) 18.378 13.710 ( -1.613 -3.584 7.338) 8.324 13.893 ( 5.614 -4.579 -16.895) 18.382 14.709 ( -1.022 9.163 1.540) 9.347 14.875 ( 2.580 -0.184 -1.968) 3.250 16.681 ( -1.639 -1.571 3.944) 4.551 16.840 ( 0.698 -1.655 5.048) 5.358 17.112 ( -7.626 2.167 1.453) 8.060 17.300 ( -3.172 1.763 8.871) 9.585 20.166 ( -12.769 -2.499 22.147) 25.686 21.057 ( 6.376 1.458 -26.767) 27.555 21.092 ( -0.847 0.361 13.887) 13.917 21.444 ( 12.778 -0.140 -19.311) 23.156 28.704 ( -5.334 -3.828 31.510) 32.187 29.417 ( -6.428 2.644 6.274) 9.363 29.469 ( 3.583 -1.610 -8.496) 9.360 30.740 ( 5.423 6.426 1.360) 8.518 31.175 ( -13.510 2.976 5.197) 14.778 31.618 ( -9.340 -0.499 -15.082) 17.747 32.113 ( -7.174 1.161 22.895) 24.021 32.246 ( 11.668 -0.106 -19.645) 22.849 35.735 ( -7.755 -3.776 0.140) 8.627 35.837 ( -8.393 -6.733 0.503) 10.771 35.989 ( 4.321 2.514 4.455) 6.696 36.965 ( 20.432 2.394 -13.572) 24.646 ======================= Grid point 334 (176/201) ======================= q-point: ( 0.38 0.12 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 7.774 22.544 -7.369) 24.960 2.784 ( 6.855 0.063 -0.989) 6.926 2.958 ( 1.306 9.678 12.736) 16.049 3.386 ( 4.347 -3.307 -3.634) 6.561 3.648 ( 2.625 -4.835 -10.441) 11.802 3.712 ( -9.014 3.974 1.272) 9.933 3.942 ( -4.670 -2.202 -6.477) 8.284 4.306 ( 4.879 -2.801 -3.058) 6.403 4.949 ( 13.184 -1.758 1.272) 13.362 5.351 ( 5.507 1.060 2.559) 6.164 5.632 ( -14.763 8.465 9.862) 19.669 6.100 ( -9.501 -0.097 -2.639) 9.861 6.362 ( -4.132 -3.673 16.274) 17.188 6.759 ( -0.832 5.244 1.526) 5.524 7.067 ( 5.780 2.762 -12.946) 14.444 7.228 ( -2.566 -0.615 6.419) 6.940 7.573 ( -1.256 -7.862 -2.453) 8.331 7.835 ( 3.073 -3.197 -14.118) 14.798 8.339 ( -10.157 -0.080 34.225) 35.700 8.828 ( 4.526 -2.728 -14.485) 15.419 9.083 ( -5.199 1.022 28.092) 28.587 9.531 ( 6.817 0.452 -17.904) 19.163 9.635 ( -0.096 -6.748 6.352) 9.268 9.935 ( 2.333 -5.021 -4.944) 7.423 10.461 ( -0.566 3.999 -3.468) 5.323 10.569 ( -2.376 3.796 -6.052) 7.528 12.119 ( -9.034 0.637 18.034) 20.180 12.403 ( 5.508 1.687 -4.282) 7.178 12.501 ( 2.426 1.384 7.726) 8.216 12.596 ( 0.755 -1.696 -15.695) 15.804 13.792 ( -2.340 -6.919 8.093) 10.901 13.980 ( 5.321 -7.088 -15.628) 17.967 14.550 ( -1.617 12.193 4.980) 13.270 14.873 ( 3.148 3.463 -5.744) 7.410 16.717 ( -0.666 -2.931 4.753) 5.624 16.902 ( 0.528 -2.424 5.374) 5.919 16.995 ( -6.476 2.160 2.178) 7.166 17.257 ( -3.726 2.733 7.027) 8.410 20.172 ( -10.026 -5.194 23.046) 25.664 20.991 ( 6.226 1.633 -30.238) 30.915 21.126 ( -1.922 1.471 15.881) 16.064 21.506 ( 10.899 1.071 -20.459) 23.206 28.869 ( -2.731 -7.784 30.371) 31.472 29.245 ( -16.667 3.848 22.990) 28.656 29.610 ( 17.047 -3.699 -23.582) 29.332 30.508 ( -11.186 14.276 -9.560) 20.502 31.150 ( 3.084 -1.016 12.519) 12.933 31.459 ( -6.756 0.077 -12.235) 13.977 32.062 ( -11.579 2.068 20.945) 24.022 32.322 ( 11.397 -1.561 -20.287) 23.321 35.703 ( -9.056 -7.590 -2.943) 12.177 35.837 ( -10.717 -9.261 1.309) 14.224 36.067 ( 10.924 4.581 9.432) 15.142 37.078 ( 15.789 6.311 -14.380) 22.268 ======================= Grid point 335 (177/201) ======================= q-point: (-0.50 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 4.542 18.238 -0.093) 18.795 2.849 ( -1.308 11.917 11.770) 16.801 2.921 ( 11.487 -2.089 -1.614) 11.787 3.421 ( -0.309 1.689 -4.076) 4.423 3.565 ( -3.758 1.525 0.299) 4.066 3.674 ( -0.512 -1.350 -4.120) 4.366 3.937 ( -6.226 -7.630 1.216) 9.922 4.300 ( 0.650 5.262 -6.846) 8.659 5.176 ( 3.780 4.334 -0.615) 5.784 5.232 ( -2.913 1.005 0.295) 3.096 5.554 ( 4.305 -0.791 5.338) 6.903 6.046 ( -1.369 -3.063 4.546) 5.650 6.420 ( -5.183 -4.016 13.123) 14.670 6.698 ( -0.026 3.040 -0.242) 3.050 7.039 ( 5.283 3.155 -13.827) 15.135 7.227 ( -4.452 -1.105 7.216) 8.551 7.622 ( -1.346 -3.349 -2.447) 4.361 7.858 ( 0.334 -3.819 -9.405) 10.156 8.370 ( -7.668 0.427 34.491) 35.336 8.873 ( 6.356 -1.857 -13.157) 14.730 9.084 ( -7.842 2.252 22.760) 24.178 9.516 ( 5.208 0.968 -20.465) 21.139 9.769 ( 0.363 -7.765 4.862) 9.169 9.998 ( -1.262 -2.578 4.392) 5.247 10.415 ( 3.754 1.615 -8.876) 9.771 10.462 ( -1.278 3.457 -5.965) 7.012 12.078 ( -7.680 0.460 17.168) 18.813 12.434 ( 4.328 1.583 -1.468) 4.836 12.521 ( 0.825 1.971 2.529) 3.311 12.574 ( 2.130 -2.280 -14.262) 14.599 13.907 ( -2.137 -8.443 6.865) 11.090 14.067 ( 2.389 -3.391 -7.769) 8.807 14.401 ( 0.708 8.141 2.322) 8.495 14.810 ( 2.160 5.435 -9.063) 10.787 16.781 ( -0.373 -3.505 5.604) 6.620 16.896 ( -2.829 2.582 3.288) 5.048 16.976 ( -1.117 -2.912 4.246) 5.268 17.202 ( -3.410 1.321 4.787) 6.024 20.242 ( -8.288 -6.825 23.782) 26.093 20.922 ( 7.164 1.592 -31.047) 31.902 21.132 ( -3.499 2.402 15.689) 16.253 21.518 ( 8.766 2.321 -21.495) 23.329 29.076 ( -4.921 -0.462 20.272) 20.865 29.106 ( -10.815 -5.158 29.077) 31.449 29.786 ( 15.567 -3.644 -23.412) 28.350 30.133 ( -9.744 7.979 -13.026) 18.119 31.294 ( 6.404 -1.017 15.132) 16.463 31.349 ( -1.314 0.986 -8.992) 9.141 31.946 ( -14.519 2.159 18.692) 23.767 32.398 ( 9.047 -2.642 -21.271) 23.265 35.695 ( -8.410 -9.511 -4.641) 13.518 35.829 ( -9.923 -7.938 1.245) 12.768 36.196 ( 11.877 5.536 12.534) 18.133 37.066 ( 10.277 10.385 -13.984) 20.224 ======================= Grid point 336 (178/201) ======================= q-point: (-0.38 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 4.481 9.485 9.970) 14.472 2.723 ( -1.389 8.284 6.539) 10.645 3.070 ( 8.957 1.595 -4.252) 10.042 3.339 ( -2.994 1.867 9.101) 9.761 3.526 ( -2.935 1.834 0.289) 3.473 3.709 ( 1.819 -4.346 -2.197) 5.198 3.984 ( -7.399 -9.799 2.855) 12.606 4.169 ( -0.602 5.941 -9.712) 11.401 4.949 ( -4.117 11.326 0.551) 12.064 5.211 ( -7.088 2.351 -3.288) 8.159 5.799 ( 14.489 -8.668 4.193) 17.397 6.156 ( 3.661 -3.922 9.560) 10.962 6.450 ( -6.168 -3.435 10.262) 12.456 6.673 ( 2.059 0.948 -4.509) 5.046 7.003 ( 3.693 1.913 -11.259) 12.003 7.203 ( -5.481 -0.949 5.019) 7.492 7.630 ( -0.148 -0.610 -0.729) 0.962 7.859 ( -0.969 -1.386 -6.628) 6.840 8.418 ( -5.922 0.882 33.113) 33.650 8.923 ( 6.824 0.428 -8.752) 11.106 9.014 ( -10.609 3.164 18.173) 21.279 9.470 ( 3.958 0.788 -21.555) 21.930 9.846 ( -1.353 0.674 2.637) 3.039 10.033 ( -1.142 -2.993 4.647) 5.644 10.370 ( 3.082 2.504 -8.968) 9.808 10.477 ( 3.206 -4.796 -4.872) 7.551 12.062 ( -5.795 -0.373 16.949) 17.916 12.438 ( -1.384 2.050 5.481) 6.013 12.495 ( -1.293 0.701 -2.679) 3.057 12.599 ( 7.513 -1.600 -17.281) 18.911 13.986 ( -0.402 4.881 4.769) 6.836 14.048 ( -3.049 -2.471 4.635) 6.073 14.415 ( 6.140 -4.136 -7.846) 10.787 14.718 ( -0.339 2.597 -9.890) 10.231 16.811 ( -1.419 1.303 4.148) 4.574 16.885 ( -1.122 -1.669 3.463) 4.004 16.997 ( -0.814 -0.025 6.216) 6.270 17.199 ( -2.022 -3.939 2.133) 4.914 20.341 ( -7.861 -7.016 23.904) 26.123 20.875 ( 9.204 1.142 -30.589) 31.964 21.102 ( -5.361 3.132 15.575) 16.766 21.487 ( 7.091 3.159 -22.321) 23.633 28.963 ( -12.553 4.917 26.197) 29.462 29.265 ( -2.133 -4.780 8.851) 10.283 29.784 ( 5.382 3.239 -16.297) 17.466 30.101 ( 0.761 -12.761 -11.790) 17.390 31.339 ( 8.290 -0.061 -7.459) 11.152 31.467 ( 6.658 -0.932 17.887) 19.108 31.804 ( -15.432 0.867 16.864) 22.876 32.433 ( 4.581 -2.648 -22.461) 23.076 35.721 ( -4.970 -9.468 -4.951) 11.784 35.825 ( -7.733 -6.804 1.526) 10.413 36.298 ( 9.583 7.467 12.327) 17.307 36.933 ( 4.565 13.891 -12.523) 19.252 ======================= Grid point 337 (179/201) ======================= q-point: (-0.25 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 4.478 0.721 16.948) 17.544 2.637 ( -2.891 1.224 -3.992) 5.079 3.029 ( 1.086 10.192 9.922) 14.266 3.397 ( -7.262 7.182 -0.477) 10.224 3.453 ( 6.663 -4.807 8.115) 11.548 3.760 ( -1.131 -2.456 -4.659) 5.387 4.054 ( -6.123 -9.763 3.386) 12.011 4.114 ( 5.649 -2.053 -9.910) 11.590 4.803 ( 1.036 7.097 2.057) 7.461 5.050 ( -8.698 2.005 -4.960) 10.211 6.068 ( 4.858 -4.225 14.018) 15.426 6.301 ( 4.580 -4.184 6.542) 9.015 6.451 ( -5.078 -2.725 5.391) 7.892 6.662 ( 1.756 1.069 -9.774) 9.987 7.017 ( 4.184 -2.516 -4.323) 6.521 7.166 ( -4.762 -1.873 0.770) 5.175 7.636 ( 2.067 1.500 0.222) 2.563 7.812 ( -0.587 2.497 -6.441) 6.933 8.473 ( -4.921 1.292 32.279) 32.677 8.885 ( -15.548 2.839 22.803) 27.745 8.954 ( 8.054 3.617 -10.250) 13.528 9.421 ( 4.534 0.048 -23.435) 23.870 9.762 ( -4.954 6.535 7.723) 11.265 10.037 ( 3.684 2.833 -14.932) 15.639 10.420 ( 1.628 -6.075 4.641) 7.816 10.581 ( 3.672 -5.922 -5.124) 8.649 12.087 ( -3.610 -1.413 17.303) 17.732 12.388 ( -6.450 3.137 13.059) 14.899 12.459 ( -0.930 -1.246 -8.705) 8.842 12.649 ( 9.192 -0.806 -19.405) 21.487 13.861 ( -2.735 10.100 10.253) 14.650 14.070 ( 2.371 1.484 -8.373) 8.828 14.540 ( 4.298 -6.017 -3.561) 8.207 14.682 ( -1.411 -5.650 -8.520) 10.320 16.788 ( 0.089 2.493 3.428) 4.239 16.855 ( -3.834 2.210 2.399) 5.033 17.068 ( 1.426 -3.973 8.639) 9.615 17.253 ( -2.148 -5.965 -0.259) 6.345 20.426 ( -9.278 -5.672 23.579) 25.966 20.872 ( 11.680 0.108 -28.684) 30.971 21.045 ( -6.121 3.417 15.288) 16.818 21.428 ( 6.214 3.402 -22.780) 23.856 28.845 ( -12.851 5.228 28.364) 31.575 29.243 ( 2.387 3.287 -12.787) 13.417 29.872 ( 3.280 -9.021 1.664) 9.742 30.194 ( -3.925 -9.563 -12.956) 16.575 31.507 ( 14.764 -4.082 -3.500) 15.713 31.612 ( -0.341 -0.762 12.233) 12.261 31.718 ( -5.847 -2.466 18.754) 19.799 32.391 ( -0.874 -1.884 -23.245) 23.338 35.797 ( 0.449 -8.106 -3.719) 8.930 35.837 ( -5.644 -6.121 1.838) 8.526 36.330 ( 6.197 8.849 9.884) 14.643 36.698 ( 0.184 15.995 -10.598) 19.188 ======================= Grid point 338 (180/201) ======================= q-point: (-0.12 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 2.889 -6.063 18.774) 19.940 2.586 ( -2.584 -4.803 -11.887) 13.078 2.961 ( 3.229 12.245 17.198) 21.357 3.177 ( -5.467 7.936 -4.285) 10.547 3.606 ( 1.613 -2.069 6.291) 6.816 3.749 ( 4.121 0.735 -7.242) 8.364 4.121 ( -3.218 -8.273 2.667) 9.268 4.236 ( 4.530 -6.584 -8.936) 11.988 4.792 ( 2.947 1.186 6.115) 6.891 4.914 ( -5.394 0.533 -5.697) 7.863 6.166 ( -4.653 -0.372 22.521) 23.000 6.373 ( -7.233 -3.457 3.857) 8.897 6.514 ( 7.884 -3.344 -0.273) 8.568 6.591 ( -1.743 2.942 -8.827) 9.467 7.127 ( 3.557 -6.126 -1.245) 7.193 7.152 ( -3.232 -3.812 -1.634) 5.258 7.620 ( 1.495 5.803 -0.387) 6.005 7.744 ( 4.233 3.802 -9.741) 11.281 8.516 ( -6.823 2.115 29.886) 30.728 8.760 ( -13.994 0.726 25.658) 29.235 8.938 ( 4.551 5.427 -4.915) 8.621 9.394 ( 7.462 -0.474 -25.768) 26.831 9.638 ( -5.474 5.990 9.433) 12.443 9.954 ( 5.464 5.368 -20.535) 21.917 10.558 ( -0.889 -7.561 6.856) 10.245 10.678 ( 2.794 -4.471 -4.170) 6.722 12.154 ( -1.485 -1.874 17.828) 17.988 12.314 ( -8.540 2.116 16.170) 18.409 12.430 ( -0.249 -1.282 -10.103) 10.187 12.682 ( 8.202 -0.070 -20.416) 22.002 13.748 ( -2.169 7.181 9.165) 11.843 13.997 ( 4.509 6.525 -15.937) 17.802 14.648 ( -1.583 -7.528 2.566) 8.109 14.754 ( 2.634 -6.608 -7.979) 10.689 16.775 ( 0.716 2.315 3.506) 4.262 16.780 ( -3.654 2.437 2.664) 5.137 17.181 ( 0.766 -4.003 9.327) 10.179 17.294 ( -3.447 -5.272 -1.924) 6.586 20.443 ( -13.189 -2.535 22.949) 26.590 20.925 ( 11.341 -1.315 -21.434) 24.285 21.001 ( -1.710 2.371 10.004) 10.423 21.365 ( 6.267 2.974 -22.308) 23.362 28.732 ( -12.525 4.732 28.979) 31.923 29.199 ( 8.809 2.791 -18.738) 20.893 29.980 ( -18.014 -10.085 12.518) 24.144 30.248 ( 12.053 -3.939 -14.332) 19.136 31.551 ( -12.533 -3.383 14.137) 19.193 31.786 ( 13.031 -5.245 -2.212) 14.220 31.862 ( 6.786 -2.474 11.705) 13.754 32.273 ( -5.064 -1.184 -22.830) 23.415 35.855 ( -5.270 -5.147 3.580) 8.190 35.922 ( 3.876 -5.563 -3.110) 7.459 36.282 ( -3.162 9.022 7.309) 12.034 36.455 ( 7.495 13.383 -10.541) 18.612 ======================= Grid point 341 (181/201) ======================= q-point: ( 0.25 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 10.521 -0.000 -2.504) 10.815 3.011 ( 6.744 -0.000 -3.291) 7.504 3.104 ( 16.683 -0.000 -1.603) 16.760 3.298 ( -6.309 0.000 7.871) 10.087 3.396 ( 9.482 -0.000 -15.232) 17.942 3.782 ( -9.775 0.000 -3.170) 10.276 3.971 ( -13.162 0.000 -4.614) 13.947 4.169 ( 8.802 -0.000 -5.964) 10.632 4.982 ( 11.854 -0.000 0.684) 11.874 5.359 ( 7.817 -0.000 5.795) 9.731 5.788 ( -17.375 0.000 14.344) 22.531 6.097 ( -9.581 0.000 -4.984) 10.799 6.298 ( -5.066 0.000 16.911) 17.653 6.917 ( -0.017 0.000 0.791) 0.791 7.026 ( -5.911 0.000 3.799) 7.026 7.317 ( -1.914 0.000 5.020) 5.372 7.339 ( 6.551 -0.000 -15.019) 16.386 7.782 ( 4.251 -0.000 -19.511) 19.969 8.339 ( -10.059 0.000 36.144) 37.518 8.782 ( 5.329 -0.000 -15.427) 16.322 9.098 ( -5.514 0.000 32.218) 32.687 9.515 ( -2.534 0.000 10.897) 11.188 9.555 ( 10.006 -0.000 -25.375) 27.277 9.845 ( 3.706 -0.000 -7.747) 8.588 10.530 ( -1.657 0.000 -3.705) 4.059 10.624 ( -4.063 0.000 -2.129) 4.587 12.130 ( -9.341 0.000 19.473) 21.597 12.434 ( 7.978 -0.000 -13.251) 15.467 12.517 ( -0.230 0.000 18.086) 18.088 12.574 ( 1.242 -0.000 -17.087) 17.132 13.692 ( -1.881 0.000 6.563) 6.827 13.862 ( 5.853 -0.000 -16.823) 17.812 14.794 ( 1.347 -0.000 -1.564) 2.064 14.878 ( 0.427 -0.000 2.591) 2.626 16.672 ( -0.580 0.000 3.940) 3.983 16.855 ( 0.143 -0.000 5.275) 5.276 17.038 ( -7.689 0.000 3.589) 8.485 17.299 ( -4.565 0.000 8.253) 9.432 20.091 ( -10.449 0.000 22.010) 24.365 21.008 ( 4.343 -0.000 -29.581) 29.898 21.151 ( -1.298 0.000 16.514) 16.565 21.527 ( 12.738 -0.000 -20.707) 24.312 28.754 ( -4.327 0.000 33.669) 33.946 29.308 ( -16.818 0.000 21.568) 27.350 29.552 ( 17.010 -0.000 -26.350) 31.363 30.745 ( -14.247 0.000 -5.641) 15.323 31.137 ( 2.449 -0.000 12.583) 12.819 31.455 ( -6.460 0.000 -11.095) 12.839 32.093 ( -11.740 0.000 20.915) 23.985 32.298 ( 10.468 -0.000 -20.842) 23.323 35.587 ( -9.567 0.000 -1.158) 9.636 35.677 ( -9.090 0.000 -0.526) 9.105 36.138 ( 10.535 -0.000 9.446) 14.150 37.173 ( 18.103 -0.000 -15.639) 23.923 ======================= Grid point 342 (182/201) ======================= q-point: ( 0.38 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 2.802 17.344 -5.455) 18.396 2.932 ( 12.773 5.795 -1.176) 14.075 3.218 ( 8.472 12.182 6.394) 16.158 3.359 ( 0.959 -6.270 1.868) 6.612 3.535 ( 5.484 -8.669 -13.167) 16.691 3.637 ( -8.564 1.987 -2.058) 9.029 3.802 ( -8.870 -2.184 -4.022) 9.981 4.274 ( 4.008 -5.221 -7.573) 10.034 5.135 ( 14.214 1.258 -0.098) 14.270 5.407 ( -2.007 2.896 -2.724) 4.454 5.669 ( -4.808 6.126 21.445) 22.815 5.968 ( -8.403 -2.383 1.141) 8.808 6.306 ( -6.647 -3.310 11.476) 13.669 6.825 ( -2.903 5.933 2.493) 7.060 7.043 ( -3.054 -4.891 0.088) 5.767 7.254 ( 1.181 4.598 -1.266) 4.913 7.443 ( 1.906 -7.442 -5.873) 9.670 7.759 ( 2.362 -2.225 -18.167) 18.455 8.382 ( -7.976 0.321 38.428) 39.249 8.816 ( 7.937 -1.492 -13.872) 16.052 9.128 ( -7.997 0.813 24.984) 26.245 9.533 ( 3.437 0.295 -11.940) 12.429 9.583 ( 2.281 -3.892 -3.639) 5.796 9.886 ( 2.526 -3.273 -4.148) 5.857 10.487 ( 0.351 2.339 -4.378) 4.976 10.554 ( -3.272 1.748 -2.160) 4.293 12.094 ( -8.411 0.458 18.815) 20.614 12.478 ( 8.025 1.243 -12.536) 14.937 12.523 ( 1.362 -0.609 -13.989) 14.068 12.574 ( -1.151 0.622 14.073) 14.134 13.717 ( -2.596 -3.634 6.855) 8.181 13.899 ( 5.933 -4.480 -16.706) 18.286 14.723 ( 0.394 9.973 3.492) 10.574 14.907 ( 1.171 -0.191 -2.024) 2.346 16.699 ( 0.202 -1.731 4.262) 4.604 16.885 ( -1.665 -2.100 4.403) 5.155 16.962 ( -4.656 1.491 5.681) 7.495 17.257 ( -5.252 1.388 6.672) 8.604 20.090 ( -8.226 -3.197 22.499) 24.168 20.932 ( 3.870 -0.210 -30.321) 30.568 21.190 ( -2.418 1.245 16.468) 16.691 21.581 ( 11.257 1.478 -22.108) 24.853 28.875 ( -4.520 -4.336 34.221) 34.789 29.195 ( -12.672 2.373 22.436) 25.876 29.665 ( 15.893 -2.718 -28.126) 32.420 30.418 ( -18.145 7.319 -13.276) 23.644 31.281 ( 7.127 -0.018 17.923) 19.288 31.364 ( -1.314 0.041 -7.808) 7.918 31.995 ( -15.237 1.014 18.229) 23.780 32.341 ( 8.915 -1.166 -21.669) 23.460 35.489 ( -9.000 -4.042 -1.746) 10.019 35.599 ( -9.521 -5.779 -0.459) 11.147 36.323 ( 13.038 2.568 13.159) 18.701 37.280 ( 13.669 4.085 -16.981) 22.178 ======================= Grid point 343 (183/201) ======================= q-point: ( 0.50 0.25 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 5.008 21.144 1.318) 21.769 2.997 ( 2.408 6.185 -0.738) 6.678 3.158 ( 11.120 9.611 4.325) 15.321 3.421 ( -0.288 0.148 -1.278) 1.318 3.532 ( -1.432 0.217 -4.345) 4.580 3.587 ( -4.258 -4.771 -1.528) 6.575 3.772 ( -4.394 -4.560 0.005) 6.332 4.288 ( -2.488 0.510 -10.087) 10.401 5.231 ( -5.595 5.980 3.091) 8.753 5.300 ( 5.619 4.496 -3.052) 7.817 5.653 ( 7.844 0.471 4.219) 8.919 6.033 ( 1.989 -4.989 15.032) 15.963 6.316 ( -8.288 -5.748 7.589) 12.622 6.738 ( -1.562 3.437 0.089) 3.776 7.045 ( -2.106 -1.118 -3.275) 4.051 7.207 ( -0.565 2.608 -0.284) 2.684 7.530 ( -0.272 -5.960 -2.485) 6.463 7.756 ( 1.039 -4.119 -14.052) 14.680 8.444 ( -6.431 0.938 37.974) 38.526 8.901 ( 9.333 -1.600 -10.111) 13.853 9.083 ( -10.663 1.643 18.760) 21.641 9.493 ( 4.425 0.872 -24.254) 24.670 9.691 ( 0.379 -7.251 6.998) 10.085 9.949 ( -0.069 -4.021 -0.281) 4.031 10.442 ( 0.149 2.175 -2.106) 3.031 10.480 ( 0.840 3.280 -7.278) 8.027 12.066 ( -6.915 0.491 18.024) 19.311 12.457 ( 1.195 0.073 -13.835) 13.887 12.541 ( 2.759 1.527 1.611) 3.541 12.593 ( 2.824 0.848 -1.105) 3.149 13.788 ( -3.124 -7.249 7.646) 10.989 13.988 ( 5.539 -6.767 -15.363) 17.677 14.585 ( 0.150 12.367 7.158) 14.290 14.871 ( 1.111 4.707 -7.191) 8.666 16.756 ( 0.054 -2.866 5.209) 5.945 16.878 ( -4.222 -1.035 3.321) 5.470 16.963 ( 0.611 -0.708 6.287) 6.356 17.190 ( -5.090 1.747 4.668) 7.124 20.154 ( -6.908 -5.507 23.210) 24.835 20.865 ( 4.785 -1.145 -30.707) 31.099 21.192 ( -4.012 2.652 16.458) 17.147 21.585 ( 9.666 3.167 -23.133) 25.270 29.028 ( -7.980 -6.246 31.266) 32.867 29.117 ( -6.579 3.033 23.708) 24.790 29.797 ( 13.720 -5.829 -27.754) 31.504 30.034 ( -13.165 8.078 -15.978) 22.223 31.353 ( 5.908 0.604 -6.480) 8.790 31.453 ( 6.328 -0.071 20.164) 21.134 31.841 ( -16.919 1.360 15.489) 22.979 32.366 ( 5.841 -1.853 -22.545) 23.363 35.464 ( -5.967 -7.530 -2.223) 9.861 35.581 ( -9.231 -8.509 0.189) 12.556 36.491 ( 11.761 5.299 15.048) 19.820 37.259 ( 8.402 8.407 -17.618) 21.252 ======================= Grid point 344 (184/201) ======================= q-point: (-0.38 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 5.733 16.240 10.006) 19.918 2.822 ( -3.717 10.911 -6.073) 13.029 3.274 ( 10.206 2.482 7.200) 12.734 3.355 ( -3.230 4.571 7.196) 9.117 3.521 ( 2.598 0.563 -6.455) 6.981 3.614 ( -5.403 -7.371 0.707) 9.166 3.801 ( -2.884 -5.695 3.274) 7.174 4.150 ( -3.768 2.978 -13.875) 14.683 5.063 ( -3.022 9.269 2.973) 10.192 5.193 ( -2.828 7.747 -4.997) 9.643 5.918 ( 16.130 -6.238 5.969) 18.295 6.194 ( 2.072 -3.084 15.313) 15.757 6.317 ( -9.534 -7.011 5.651) 13.114 6.683 ( -0.346 1.058 -5.989) 6.092 7.013 ( -0.496 0.550 -1.831) 1.975 7.156 ( -1.752 1.627 -2.511) 3.467 7.593 ( 0.036 -4.293 0.402) 4.312 7.774 ( 0.168 -4.091 -9.925) 10.737 8.511 ( -5.182 1.400 36.139) 36.535 8.956 ( -13.111 1.842 21.360) 25.131 9.016 ( 9.366 0.644 -13.242) 16.232 9.427 ( 3.405 0.455 -24.763) 25.001 9.829 ( 0.700 -5.255 6.369) 8.287 9.981 ( -2.982 -2.756 3.696) 5.491 10.404 ( -0.498 1.806 -2.725) 3.307 10.451 ( 5.388 -0.119 -10.851) 12.116 12.063 ( -4.976 -0.229 17.624) 18.314 12.416 ( 0.903 -0.186 -12.096) 12.131 12.505 ( -6.695 3.127 12.529) 14.545 12.642 ( 10.190 0.426 -14.898) 18.054 13.902 ( -2.960 -9.479 7.406) 12.388 14.064 ( 2.518 -1.611 -7.489) 8.064 14.481 ( 3.060 6.526 3.571) 8.044 14.750 ( 0.328 7.684 -11.107) 13.510 16.811 ( -1.108 -1.870 6.080) 6.457 16.867 ( -1.780 -0.787 2.829) 3.434 17.010 ( 0.579 -0.832 6.085) 6.169 17.136 ( -3.885 -0.914 2.439) 4.677 20.252 ( -6.754 -6.133 23.657) 25.355 20.833 ( 6.777 -2.423 -30.036) 30.886 21.154 ( -5.471 3.812 16.392) 17.696 21.547 ( 8.492 4.427 -23.701) 25.562 29.008 ( -9.060 5.338 26.538) 28.545 29.212 ( -4.083 -5.497 20.100) 21.234 29.762 ( -7.147 2.502 -10.838) 13.222 29.935 ( 9.986 -7.942 -25.806) 28.788 31.449 ( 13.363 -0.409 -5.477) 14.448 31.601 ( -0.689 -0.312 15.940) 15.958 31.686 ( -10.577 0.268 17.343) 20.315 32.340 ( 1.181 -1.584 -23.284) 23.368 35.533 ( -1.060 -9.725 -2.000) 9.985 35.601 ( -7.490 -9.297 0.614) 11.954 36.587 ( 7.887 8.256 14.929) 18.795 37.112 ( 3.285 12.164 -17.656) 21.691 ======================= Grid point 345 (185/201) ======================= q-point: (-0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 2.256 8.538 16.517) 18.730 2.600 ( -3.322 6.759 -11.653) 13.875 3.273 ( 1.495 9.483 13.493) 16.560 3.311 ( -11.580 0.965 8.916) 14.647 3.572 ( 8.421 -0.101 -1.927) 8.639 3.655 ( 2.490 -6.427 -8.951) 11.297 3.877 ( -4.001 -7.005 5.492) 9.759 4.082 ( 3.586 -3.562 -13.869) 14.762 4.925 ( -2.904 7.943 5.031) 9.840 5.038 ( 1.551 8.078 -6.084) 10.231 6.162 ( 2.459 -0.389 18.024) 18.195 6.246 ( -7.696 -5.950 3.132) 10.220 6.382 ( 2.650 -5.702 5.797) 8.552 6.631 ( -1.629 0.152 -10.862) 10.984 7.024 ( 1.057 -1.228 1.728) 2.369 7.108 ( 0.440 0.541 -5.263) 5.310 7.663 ( 2.665 -2.608 1.515) 4.025 7.778 ( -0.187 -1.586 -8.045) 8.202 8.576 ( -4.772 1.905 33.011) 33.409 8.810 ( -16.295 2.300 21.577) 27.137 9.072 ( 9.153 3.457 -11.196) 14.869 9.374 ( 4.917 -0.925 -24.090) 24.604 9.833 ( -4.006 5.840 10.537) 12.696 10.023 ( 0.925 -3.556 -4.905) 6.129 10.388 ( 0.489 -1.519 -0.334) 1.630 10.514 ( 4.614 -5.327 -10.303) 12.483 12.100 ( -2.802 -1.530 17.622) 17.909 12.374 ( -2.984 1.149 -1.716) 3.629 12.421 ( -4.642 1.570 3.160) 5.830 12.693 ( 9.233 0.942 -16.286) 18.745 14.001 ( -3.138 4.223 5.985) 7.969 14.030 ( 0.381 -3.155 2.815) 4.245 14.537 ( 6.972 -4.636 -6.069) 10.341 14.594 ( -1.282 5.601 -11.036) 12.442 16.832 ( -0.096 0.685 5.166) 5.212 16.847 ( -3.140 1.538 2.948) 4.574 17.070 ( 1.184 -2.599 7.472) 7.999 17.141 ( -3.242 -4.557 0.283) 5.600 20.338 ( -8.181 -4.668 23.767) 25.566 20.854 ( 8.947 -3.656 -27.744) 29.379 21.093 ( -5.498 3.964 15.181) 16.625 21.484 ( 7.988 4.949 -23.499) 25.308 28.916 ( -8.679 7.818 27.434) 29.817 29.265 ( 1.106 0.170 -0.213) 1.139 29.691 ( -11.362 -7.591 7.467) 15.572 30.070 ( 11.268 -7.898 -22.832) 26.658 31.481 ( -15.287 -1.043 10.624) 18.646 31.664 ( 17.456 -2.658 -7.178) 19.061 31.802 ( 3.743 -1.708 21.047) 21.445 32.241 ( -3.649 -0.902 -23.262) 23.564 35.644 ( -5.484 -9.147 2.646) 10.988 35.697 ( 4.516 -9.762 -2.841) 11.125 36.579 ( 2.155 10.891 13.091) 17.165 36.870 ( 0.838 14.083 -17.203) 22.248 ======================= Grid point 346 (186/201) ======================= q-point: (-0.12 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -5.751 -1.078 6.050) 8.416 2.528 ( 5.381 0.390 -1.487) 5.596 3.109 ( -14.096 2.936 3.142) 14.738 3.244 ( 4.201 9.083 12.271) 15.835 3.632 ( 2.923 -1.353 -5.406) 6.293 3.802 ( 11.795 -1.863 -9.326) 15.151 3.937 ( -5.799 -8.543 7.074) 12.516 4.178 ( 4.894 -6.254 -9.781) 12.599 4.801 ( -4.252 4.907 3.336) 7.300 4.993 ( 8.159 4.936 -0.468) 9.547 6.133 ( -13.953 -4.668 5.092) 15.569 6.274 ( -4.545 0.775 20.933) 21.435 6.525 ( -1.795 -2.491 -8.075) 8.639 6.557 ( 3.962 -2.166 -2.124) 4.990 7.041 ( -0.423 -2.821 -7.582) 8.101 7.144 ( 3.320 -1.245 3.284) 4.833 7.709 ( 1.744 3.833 -0.989) 4.326 7.770 ( 3.840 -1.570 -7.419) 8.500 8.547 ( -13.250 3.591 22.302) 26.189 8.747 ( -6.923 0.042 32.083) 32.821 9.042 ( 3.690 5.464 -10.060) 12.029 9.387 ( 9.628 -1.415 -22.525) 24.537 9.717 ( -5.132 8.007 12.764) 15.917 10.009 ( 3.761 3.593 -13.642) 14.600 10.454 ( -1.992 -6.844 3.746) 8.053 10.607 ( 2.735 -6.161 -8.887) 11.154 12.182 ( -0.835 -2.657 17.296) 17.518 12.288 ( -9.591 1.777 14.004) 17.066 12.390 ( 2.392 -0.283 -10.084) 10.368 12.707 ( 6.767 1.407 -17.382) 18.706 13.880 ( -2.388 9.394 9.310) 13.440 14.066 ( 2.870 2.606 -8.307) 9.167 14.515 ( -3.731 -4.467 -2.849) 6.480 14.685 ( 6.740 -6.856 -7.617) 12.266 16.784 ( -3.323 2.861 3.396) 5.547 16.838 ( 0.957 2.130 4.607) 5.165 17.157 ( -3.255 -4.762 1.823) 6.049 17.171 ( -0.810 -4.494 5.753) 7.344 20.357 ( -11.338 -0.976 23.508) 26.118 20.923 ( 8.975 -4.128 -20.923) 23.138 21.051 ( -1.898 1.880 8.864) 9.258 21.422 ( 8.298 4.517 -22.036) 23.976 28.810 ( -8.182 8.152 27.870) 30.169 29.284 ( 8.571 1.771 -10.873) 13.958 29.665 ( -18.093 -7.785 14.328) 24.357 30.272 ( 13.397 -9.186 -14.235) 21.598 31.360 ( -15.003 -3.629 9.132) 17.935 31.880 ( 11.689 -2.471 -6.480) 13.592 31.950 ( 1.232 -1.847 15.426) 15.585 32.102 ( -2.012 -1.350 -20.396) 20.539 35.718 ( -2.988 -7.231 4.028) 8.800 35.881 ( 5.131 -6.646 -2.101) 8.656 36.410 ( -7.530 14.066 4.094) 16.471 36.681 ( 8.476 9.233 -11.287) 16.866 ======================= Grid point 350 (187/201) ======================= q-point: ( 0.38 0.38 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 7.345 -0.000 -4.359) 8.541 3.123 ( 2.341 -0.000 0.368) 2.369 3.248 ( -4.906 0.000 11.054) 12.094 3.427 ( 1.364 -0.000 -12.445) 12.520 3.545 ( 5.315 -0.000 -5.895) 7.937 3.556 ( -1.912 0.000 -8.044) 8.269 3.671 ( 0.127 -0.000 8.194) 8.195 4.232 ( 2.015 -0.000 -11.056) 11.238 5.320 ( 13.434 -0.000 -2.874) 13.738 5.368 ( -5.472 0.000 1.007) 5.564 5.809 ( -7.579 0.000 -3.070) 8.177 5.855 ( 3.500 -0.000 29.295) 29.504 6.208 ( -9.450 0.000 6.343) 11.382 6.817 ( -7.145 0.000 -0.019) 7.145 6.977 ( -0.954 0.000 6.709) 6.776 7.318 ( -2.566 0.000 8.868) 9.232 7.380 ( 7.000 -0.000 -19.779) 20.981 7.690 ( 1.808 -0.000 -18.170) 18.260 8.461 ( -6.852 0.000 41.186) 41.752 8.870 ( 10.318 -0.000 -11.554) 15.490 9.106 ( -11.292 0.000 20.129) 23.080 9.520 ( 5.818 -0.000 -29.399) 29.970 9.566 ( -1.002 0.000 11.547) 11.591 9.874 ( 2.152 -0.000 -4.828) 5.285 10.500 ( 2.443 -0.000 -5.930) 6.413 10.517 ( -3.952 0.000 1.829) 4.354 12.076 ( -7.326 0.000 18.501) 19.899 12.456 ( 1.215 -0.000 -15.322) 15.370 12.572 ( 10.892 -0.000 -12.801) 16.808 12.604 ( -4.803 0.000 15.610) 16.332 13.684 ( -2.764 0.000 5.918) 6.532 13.871 ( 5.975 -0.000 -16.777) 17.809 14.837 ( 2.627 -0.000 -0.598) 2.695 14.893 ( -1.087 0.000 2.647) 2.862 16.711 ( 0.809 -0.000 3.847) 3.932 16.844 ( -4.672 0.000 4.132) 6.237 16.970 ( -0.511 0.000 7.748) 7.764 17.221 ( -5.881 0.000 5.551) 8.087 20.070 ( -6.232 0.000 22.560) 23.405 20.844 ( 3.407 -0.000 -30.737) 30.926 21.231 ( -3.723 0.000 16.854) 17.261 21.634 ( 10.229 -0.000 -23.278) 25.427 28.920 ( -6.788 0.000 35.306) 35.953 29.181 ( -7.845 0.000 24.664) 25.882 29.706 ( 13.477 -0.000 -31.171) 33.960 30.173 ( -16.469 0.000 -16.758) 23.496 31.362 ( 5.506 -0.000 -5.568) 7.831 31.454 ( 6.089 -0.000 21.124) 21.985 31.863 ( -17.217 0.000 15.263) 23.008 32.338 ( 6.562 -0.000 -22.582) 23.516 35.352 ( -7.099 0.000 -0.122) 7.100 35.443 ( -7.460 0.000 -1.892) 7.696 36.568 ( 12.232 -0.000 15.727) 19.924 37.380 ( 9.065 -0.000 -18.715) 20.795 ======================= Grid point 351 (188/201) ======================= q-point: ( 0.50 0.38 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 2.139 16.449 4.871) 17.288 3.099 ( 1.620 5.213 -2.272) 5.913 3.327 ( -6.479 0.977 7.589) 10.027 3.343 ( -0.914 -6.785 -2.340) 7.235 3.487 ( -1.711 -2.216 -5.928) 6.556 3.519 ( 2.099 1.532 -8.248) 8.648 3.783 ( 6.176 3.499 7.606) 10.404 4.202 ( -2.388 -0.257 -11.745) 11.988 5.276 ( -3.553 5.575 5.000) 8.289 5.399 ( 2.054 4.610 -4.940) 7.062 5.776 ( 10.950 -1.818 -0.207) 11.102 6.044 ( -6.848 -8.885 17.455) 20.749 6.163 ( -1.193 -1.120 10.130) 10.261 6.709 ( -6.981 0.437 -2.815) 7.540 7.012 ( 0.258 -0.232 6.108) 6.118 7.263 ( 0.520 5.289 -2.879) 6.045 7.436 ( 1.574 -5.926 -7.074) 9.362 7.659 ( 1.487 -2.873 -15.222) 15.562 8.547 ( -6.231 0.898 41.085) 41.564 8.971 ( 8.052 -0.577 -4.359) 9.174 9.019 ( -11.254 0.168 13.042) 17.227 9.448 ( 3.775 0.889 -28.624) 28.886 9.643 ( 0.452 -4.712 9.130) 10.284 9.896 ( 1.412 -2.584 -5.277) 6.044 10.459 ( -3.117 2.372 2.748) 4.785 10.508 ( 3.469 1.109 -7.070) 7.953 12.067 ( -5.796 0.246 17.918) 18.834 12.414 ( 2.203 0.010 -14.653) 14.817 12.575 ( -7.547 1.470 13.694) 15.705 12.659 ( 11.027 0.472 -12.259) 16.495 13.700 ( -2.911 -3.795 6.423) 8.008 13.910 ( 6.062 -4.576 -16.739) 18.382 14.777 ( 0.515 9.529 5.033) 10.789 14.902 ( 0.660 1.207 -3.845) 4.084 16.749 ( 0.452 -1.427 4.483) 4.726 16.815 ( -4.095 -1.875 4.028) 6.043 17.007 ( 1.575 0.415 7.559) 7.732 17.159 ( -5.552 0.984 3.939) 6.878 20.118 ( -4.870 -2.764 23.112) 23.780 20.770 ( 4.419 -1.471 -30.991) 31.339 21.236 ( -5.218 1.629 17.283) 18.127 21.642 ( 8.919 1.919 -23.842) 25.528 29.000 ( -7.565 -3.230 33.719) 34.708 29.195 ( -4.639 2.724 27.085) 27.614 29.741 ( 6.920 -3.368 -29.667) 30.649 29.904 ( -7.085 3.154 -19.371) 20.865 31.453 ( 12.411 0.276 -5.014) 13.388 31.594 ( -0.544 -0.137 17.888) 17.897 31.709 ( -12.779 0.769 16.276) 20.708 32.310 ( 3.221 -0.519 -23.365) 23.592 35.316 ( -3.187 -4.501 0.432) 5.532 35.388 ( -5.289 -4.575 -1.687) 7.194 36.753 ( 8.857 3.135 16.713) 19.173 37.349 ( 3.550 4.336 -19.780) 20.559 ======================= Grid point 352 (189/201) ======================= q-point: (-0.38 -0.62 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -2.916 15.365 12.549) 20.052 2.927 ( 0.627 14.108 -10.707) 17.722 3.289 ( -6.513 -0.699 13.131) 14.674 3.384 ( -12.708 -6.882 7.399) 16.236 3.499 ( 4.326 1.398 -7.063) 8.400 3.566 ( 10.726 -4.078 -9.132) 14.666 3.814 ( 1.773 4.119 11.050) 11.925 4.072 ( -3.051 2.384 -14.529) 15.036 5.172 ( -0.955 8.217 5.336) 9.844 5.285 ( 1.330 8.110 -6.326) 10.371 6.028 ( -7.730 -8.840 4.637) 12.626 6.065 ( 7.895 -7.497 -0.574) 10.903 6.282 ( 1.987 -0.060 22.434) 22.522 6.612 ( -5.543 -1.327 -7.812) 9.670 7.036 ( 1.767 1.541 4.429) 5.011 7.178 ( 0.792 4.325 -7.296) 8.518 7.520 ( 0.789 -6.519 -0.607) 6.595 7.676 ( 1.298 -4.663 -11.518) 12.494 8.623 ( -5.724 1.465 38.187) 38.641 8.867 ( -16.886 1.605 19.305) 25.698 9.107 ( 11.675 -0.929 -9.737) 15.231 9.357 ( 2.114 0.053 -26.930) 27.013 9.778 ( 1.008 -7.296 8.221) 11.038 9.925 ( 0.046 -2.165 -3.102) 3.783 10.401 ( -2.263 1.768 1.064) 3.063 10.500 ( 4.870 2.451 -9.530) 10.979 12.078 ( -3.981 -0.151 17.597) 18.042 12.387 ( 3.364 0.294 -14.091) 14.490 12.488 ( -10.199 2.205 12.521) 16.299 12.731 ( 10.230 1.456 -12.734) 16.399 13.771 ( -3.229 -7.443 7.796) 11.252 13.999 ( 5.582 -6.417 -15.256) 17.466 14.658 ( -0.196 10.641 7.725) 13.151 14.827 ( 1.721 7.108 -9.334) 11.858 16.792 ( -1.329 -2.253 6.432) 6.943 16.827 ( -1.820 -2.641 2.580) 4.116 17.057 ( 2.559 0.732 6.621) 7.136 17.093 ( -4.515 0.779 2.324) 5.138 20.208 ( -4.524 -3.944 23.753) 24.499 20.743 ( 6.475 -3.579 -30.533) 31.416 21.200 ( -6.409 3.173 17.482) 18.889 21.609 ( 7.912 3.463 -23.893) 25.406 29.081 ( -6.300 -0.556 29.108) 29.787 29.215 ( -4.534 2.318 28.471) 28.923 29.633 ( -5.380 0.997 -16.563) 17.444 29.864 ( 9.279 -5.566 -27.386) 29.446 31.485 ( -14.731 0.830 8.404) 16.980 31.629 ( 17.327 -0.303 -6.526) 18.517 31.770 ( 1.257 -0.542 23.447) 23.487 32.228 ( -1.073 -0.032 -23.778) 23.802 35.391 ( -1.917 -7.753 1.798) 8.186 35.429 ( 1.292 -8.036 -2.103) 8.407 36.837 ( 3.739 6.725 16.189) 17.924 37.187 ( -1.516 7.923 -20.213) 21.763 ======================= Grid point 353 (190/201) ======================= q-point: (-0.25 -0.62 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -11.442 11.524 6.238) 17.397 2.733 ( 4.688 13.000 -0.186) 13.821 3.184 ( -17.221 2.411 11.402) 20.794 3.358 ( -4.246 -2.381 7.661) 9.077 3.538 ( 4.469 -2.322 -6.220) 8.003 3.727 ( 6.494 -4.804 -9.509) 12.477 3.820 ( 2.326 0.675 8.769) 9.098 4.034 ( 5.372 -1.521 -8.802) 10.423 5.058 ( 0.848 11.066 4.681) 12.045 5.186 ( 5.146 7.549 -5.442) 10.634 5.945 ( -18.251 -8.069 0.444) 19.961 6.311 ( 5.890 -0.463 15.417) 16.510 6.375 ( 1.027 -3.880 6.850) 7.939 6.538 ( -3.670 -1.362 -7.545) 8.500 7.038 ( 1.523 2.305 -5.059) 5.764 7.139 ( 2.963 0.938 0.294) 3.122 7.638 ( 2.923 -6.595 0.314) 7.220 7.713 ( 1.560 -3.671 -8.082) 9.013 8.637 ( -12.611 2.515 21.653) 25.183 8.758 ( -9.904 0.654 34.336) 35.742 9.171 ( 7.053 3.439 -17.877) 19.523 9.318 ( 5.619 -3.496 -17.471) 18.682 9.903 ( -0.934 2.278 9.000) 9.330 9.932 ( -0.740 -6.655 -0.201) 6.699 10.371 ( -0.064 -0.453 -3.319) 3.350 10.493 ( 4.741 0.513 -11.046) 12.031 12.123 ( -2.034 -1.294 17.380) 17.547 12.347 ( -6.297 2.133 3.734) 7.626 12.395 ( -0.346 0.634 -4.915) 4.968 12.764 ( 7.610 2.369 -13.459) 15.642 13.884 ( -3.521 -9.439 8.152) 12.959 14.071 ( 3.009 -1.549 -7.683) 8.395 14.558 ( -0.624 5.708 1.172) 5.861 14.697 ( 4.621 9.018 -10.534) 14.617 16.836 ( -1.821 -2.303 4.455) 5.336 16.840 ( -1.336 -0.152 4.873) 5.055 17.054 ( -3.375 -1.610 1.107) 3.900 17.106 ( 2.369 0.460 5.889) 6.364 20.298 ( -5.588 -2.845 24.214) 25.013 20.779 ( 8.755 -5.520 -29.209) 30.989 21.139 ( -6.420 3.761 16.526) 18.124 21.551 ( 7.412 4.194 -23.207) 24.720 29.071 ( -3.846 8.242 23.557) 25.252 29.264 ( -6.795 -2.228 26.967) 27.899 29.529 ( -1.528 -0.780 -11.626) 11.752 29.989 ( 9.624 -9.745 -22.256) 26.133 31.326 ( -12.960 0.672 6.988) 14.739 31.834 ( 14.998 -0.708 -4.633) 15.714 31.895 ( 1.311 -1.842 17.610) 17.755 32.091 ( -2.743 0.467 -22.422) 22.594 35.487 ( -0.754 -8.216 2.442) 8.605 35.625 ( 7.770 -10.466 -1.589) 13.131 36.775 ( -4.812 11.048 9.846) 15.561 36.953 ( -1.510 8.680 -15.513) 17.840 ======================= Grid point 354 (191/201) ======================= q-point: (-0.12 -0.62 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -10.014 2.862 -1.768) 10.564 2.674 ( 4.383 6.592 8.618) 11.702 2.964 ( -16.116 1.845 8.353) 18.245 3.377 ( 1.223 0.637 2.583) 2.928 3.612 ( 4.235 -3.344 -5.665) 7.824 3.750 ( -4.833 -5.078 -3.459) 7.817 3.968 ( 10.931 0.077 3.874) 11.598 4.112 ( 3.884 -4.952 -6.681) 9.178 4.937 ( 4.182 12.011 2.611) 12.983 5.170 ( 7.745 4.491 -0.552) 8.970 5.815 ( -19.177 -7.972 0.077) 20.768 6.334 ( -7.149 0.440 10.721) 12.893 6.427 ( -2.956 1.271 4.071) 5.189 6.566 ( 5.031 -4.317 -0.911) 6.691 6.998 ( 2.556 0.446 -12.069) 12.344 7.192 ( 1.864 -0.213 6.828) 7.082 7.715 ( 0.503 -1.992 -7.749) 8.017 7.789 ( 5.980 -2.720 -0.098) 6.570 8.487 ( -15.981 2.550 20.694) 26.271 8.825 ( -4.494 0.138 33.467) 33.768 9.086 ( 2.127 3.671 -17.744) 18.244 9.405 ( 9.667 -2.588 -14.815) 17.879 9.829 ( -2.945 7.596 10.168) 13.030 10.010 ( 0.330 -2.599 -1.988) 3.289 10.379 ( 0.758 -2.231 -3.785) 4.458 10.520 ( 2.490 -3.967 -10.971) 11.929 12.204 ( -1.242 -2.036 13.572) 13.780 12.245 ( -9.612 0.981 16.763) 19.348 12.393 ( 5.493 0.145 -12.521) 13.674 12.743 ( 4.362 2.909 -14.440) 15.362 13.974 ( -2.343 -0.890 4.907) 5.510 14.065 ( -0.205 0.071 3.740) 3.746 14.450 ( -1.049 4.118 -10.555) 11.378 14.682 ( 6.937 -1.119 -6.874) 9.830 16.805 ( -2.101 2.748 4.168) 5.416 16.877 ( -0.388 -1.101 4.959) 5.095 17.050 ( -3.516 -2.740 0.674) 4.509 17.159 ( 0.749 -1.587 6.237) 6.479 20.332 ( -8.165 0.706 24.329) 25.673 20.866 ( 9.914 -6.396 -26.871) 29.347 21.087 ( -4.335 2.298 13.505) 14.369 21.493 ( 7.522 3.769 -21.624) 23.203 28.985 ( -2.993 10.675 22.991) 25.525 29.313 ( -11.014 -4.052 26.369) 28.862 29.501 ( 5.587 0.635 -14.021) 15.106 30.186 ( 7.785 -13.091 -15.399) 21.659 31.202 ( -9.654 0.323 6.803) 11.815 31.831 ( -7.445 0.664 -19.585) 20.963 31.984 ( -2.822 -2.500 22.618) 22.930 32.119 ( 16.021 -0.746 -14.490) 21.614 35.629 ( 3.001 -7.838 4.433) 9.492 35.854 ( 6.855 -7.017 -1.268) 9.891 36.486 ( -11.769 13.339 -3.396) 18.110 36.825 ( 3.482 5.535 -5.291) 8.412 ======================= Grid point 359 (192/201) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -10.410 0.000 7.692) 12.944 3.117 ( -1.136 0.000 9.271) 9.340 3.203 ( 0.527 -0.000 -0.313) 0.613 3.362 ( 3.932 -0.000 -11.764) 12.404 3.373 ( -6.261 0.000 5.252) 8.173 3.535 ( 4.112 -0.000 -8.553) 9.490 3.926 ( 2.658 -0.000 9.695) 10.053 4.128 ( -3.335 0.000 -11.261) 11.745 5.311 ( -2.186 0.000 7.096) 7.425 5.425 ( -0.076 0.000 -5.567) 5.567 5.854 ( -12.160 0.000 5.028) 13.158 5.910 ( 14.927 -0.000 -2.118) 15.076 6.298 ( 5.852 -0.000 21.322) 22.111 6.585 ( -8.817 0.000 -5.443) 10.362 7.068 ( 2.619 -0.000 7.138) 7.603 7.333 ( 4.015 -0.000 -23.272) 23.616 7.336 ( -2.951 0.000 11.731) 12.096 7.593 ( 1.371 -0.000 -14.131) 14.197 8.648 ( -6.785 0.000 41.149) 41.705 8.892 ( -17.088 0.000 18.497) 25.182 9.077 ( 10.805 -0.000 -6.307) 12.511 9.365 ( 2.202 -0.000 -30.597) 30.676 9.660 ( 1.574 -0.000 8.494) 8.639 9.877 ( 3.294 -0.000 -9.063) 9.643 10.446 ( -3.889 0.000 4.470) 5.925 10.537 ( 4.066 -0.000 -6.499) 7.666 12.078 ( -4.356 0.000 17.483) 18.017 12.392 ( 4.123 -0.000 -14.866) 15.427 12.522 ( -10.767 0.000 12.878) 16.786 12.755 ( 10.613 -0.000 -11.673) 15.777 13.665 ( -2.418 0.000 5.641) 6.137 13.884 ( 6.334 -0.000 -16.992) 18.134 14.867 ( -2.360 0.000 1.994) 3.089 14.907 ( 3.278 -0.000 -1.567) 3.634 16.766 ( -4.012 0.000 4.726) 6.199 16.767 ( 0.868 -0.000 3.989) 4.082 17.073 ( 3.039 -0.000 7.612) 8.196 17.112 ( -5.017 0.000 2.840) 5.765 20.148 ( -3.130 0.000 23.502) 23.710 20.687 ( 5.389 -0.000 -31.294) 31.755 21.248 ( -6.370 0.000 18.010) 19.104 21.660 ( 7.565 -0.000 -23.785) 24.959 29.025 ( -8.480 0.000 35.867) 36.856 29.304 ( 0.078 -0.000 28.799) 28.799 29.637 ( -0.469 0.000 -25.492) 25.497 29.795 ( 1.890 -0.000 -25.007) 25.079 31.501 ( -14.354 0.000 7.507) 16.199 31.627 ( 17.487 -0.000 -5.847) 18.438 31.765 ( -0.242 0.000 24.126) 24.127 32.230 ( 0.376 -0.000 -24.002) 24.005 35.270 ( 0.540 -0.000 1.755) 1.836 35.307 ( -1.194 0.000 -2.063) 2.383 36.934 ( 4.358 -0.000 17.049) 17.597 37.300 ( -2.294 0.000 -20.975) 21.100 ======================= Grid point 360 (193/201) ======================= q-point: (-0.38 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -11.489 12.272 9.723) 19.420 3.112 ( -9.802 3.736 1.572) 10.607 3.182 ( 2.534 3.856 3.307) 5.677 3.275 ( -5.189 -0.027 11.856) 12.941 3.495 ( 2.825 -5.876 -4.402) 7.867 3.569 ( 6.613 -2.819 -8.305) 10.984 3.904 ( -5.840 6.000 1.430) 8.494 4.048 ( 1.112 -1.406 -2.213) 2.848 5.279 ( -3.125 3.380 7.321) 8.648 5.375 ( 1.862 4.452 -5.305) 7.171 5.770 ( -7.705 -2.135 0.210) 7.998 6.150 ( 14.446 -6.198 -1.282) 15.771 6.412 ( -2.583 2.627 12.162) 12.708 6.483 ( -2.387 -2.290 1.816) 3.773 7.117 ( 3.043 2.085 3.903) 5.370 7.220 ( 1.071 5.053 -10.484) 11.687 7.428 ( 0.370 -7.522 1.414) 7.662 7.581 ( 1.315 -3.871 -11.826) 12.512 8.687 ( -12.882 1.010 24.060) 27.310 8.777 ( -12.532 0.490 35.835) 37.966 9.195 ( 8.640 -2.008 -4.291) 9.854 9.255 ( 1.992 0.438 -30.721) 30.789 9.744 ( 1.514 -3.813 6.655) 7.817 9.900 ( 4.547 -1.657 -9.762) 10.896 10.404 ( -3.123 1.814 3.917) 5.328 10.549 ( 3.832 1.478 -7.271) 8.351 12.106 ( -2.851 -0.135 17.229) 17.464 12.389 ( 4.643 0.678 -13.558) 14.347 12.420 ( -10.914 0.788 10.702) 15.306 12.820 ( 8.263 1.214 -11.710) 14.383 13.685 ( -2.588 -3.706 6.421) 7.852 13.927 ( 6.561 -4.442 -16.981) 18.738 14.794 ( -2.415 6.565 3.572) 7.855 14.910 ( 3.145 4.271 -4.960) 7.262 16.753 ( -3.256 -2.055 4.706) 6.081 16.806 ( 0.623 -1.333 4.301) 4.546 17.058 ( -4.024 0.741 1.782) 4.463 17.143 ( 4.088 1.109 6.486) 7.746 20.228 ( -2.348 -1.567 24.107) 24.272 20.652 ( 7.239 -2.708 -31.136) 32.081 21.225 ( -7.210 1.844 18.328) 19.781 21.636 ( 6.367 1.620 -23.369) 24.275 29.073 ( -11.141 -2.533 35.592) 37.381 29.415 ( 4.508 7.479 26.238) 27.653 29.535 ( 1.298 0.203 -20.106) 20.149 29.764 ( 4.981 -5.802 -24.673) 25.831 31.356 ( -11.129 0.876 5.382) 12.392 31.830 ( 16.071 0.162 -5.969) 17.145 31.856 ( -0.824 -0.832 20.801) 20.834 32.114 ( -0.943 0.776 -23.397) 23.429 35.317 ( 1.876 -2.776 0.817) 3.448 35.369 ( 5.425 -6.346 -0.140) 8.350 36.998 ( -1.604 4.311 15.172) 15.854 37.122 ( -7.006 3.038 -20.182) 21.579 ======================= Grid point 361 (194/201) ======================= q-point: (-0.25 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -13.450 16.035 7.209) 22.136 2.895 ( -13.584 5.560 8.794) 17.111 3.115 ( -2.867 9.400 8.286) 12.854 3.308 ( -0.753 -3.551 5.491) 6.582 3.525 ( -2.272 -2.930 -0.343) 3.723 3.668 ( 3.330 -0.960 -8.874) 9.526 3.833 ( 3.400 -5.562 -4.254) 7.784 4.125 ( 5.288 0.101 5.289) 7.480 5.209 ( -5.052 2.974 5.936) 8.343 5.313 ( 4.125 6.190 -5.111) 9.025 5.686 ( -5.559 1.638 -1.438) 5.971 6.314 ( -5.156 -1.109 -6.940) 8.716 6.394 ( 7.584 -4.877 0.215) 9.019 6.532 ( -1.116 2.392 17.923) 18.116 7.076 ( 1.895 4.666 -11.378) 12.443 7.194 ( 1.630 0.578 5.682) 5.940 7.565 ( 2.339 -7.604 -1.696) 8.134 7.640 ( 3.459 -7.056 -7.266) 10.703 8.544 ( -17.197 1.478 19.807) 26.272 8.829 ( -7.390 0.178 39.961) 40.639 9.144 ( 0.845 -0.083 -27.691) 27.704 9.318 ( 8.625 -2.567 -6.392) 11.038 9.841 ( 0.149 -5.354 1.369) 5.528 9.946 ( 3.419 -0.753 -2.083) 4.073 10.361 ( -0.774 1.336 -0.416) 1.599 10.532 ( 3.324 2.640 -8.140) 9.181 12.159 ( -1.452 -0.947 16.841) 16.930 12.292 ( -11.425 1.788 12.484) 17.017 12.405 ( 6.773 0.580 -14.932) 16.407 12.826 ( 4.883 2.571 -12.331) 13.510 13.755 ( -3.368 -7.129 8.039) 11.260 14.015 ( 5.751 -5.799 -15.240) 17.290 14.662 ( -2.466 9.187 2.173) 9.758 14.839 ( 3.985 7.801 -6.656) 11.002 16.776 ( -2.583 -3.739 3.666) 5.839 16.850 ( 0.359 -0.690 5.685) 5.737 17.009 ( -3.188 0.308 1.134) 3.398 17.194 ( 3.814 2.505 5.020) 6.784 20.320 ( -3.051 -1.058 24.587) 24.798 20.686 ( 9.359 -5.551 -30.498) 32.381 21.172 ( -7.246 3.042 17.508) 19.191 21.585 ( 5.636 2.462 -22.584) 23.407 29.104 ( -12.668 -3.156 31.138) 33.764 29.381 ( -1.640 9.637 15.710) 18.503 29.532 ( 9.891 0.748 -17.185) 19.842 29.886 ( 9.163 -7.546 -10.909) 16.122 31.244 ( -6.640 1.869 5.093) 8.575 31.856 ( -5.241 0.977 -20.936) 21.604 31.922 ( -4.748 -1.756 23.233) 23.778 32.122 ( 17.751 0.735 -13.890) 22.551 35.423 ( 4.472 -5.659 2.105) 7.514 35.588 ( 9.688 -10.081 -0.461) 13.989 36.797 ( -12.608 8.175 -12.033) 19.250 36.986 ( -4.266 4.642 5.906) 8.639 ======================= Grid point 362 (195/201) ======================= q-point: (-0.12 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -12.499 10.707 4.871) 17.164 2.730 ( -14.061 -1.028 14.861) 20.485 2.966 ( 1.611 12.014 3.092) 12.510 3.373 ( 0.660 -3.531 -0.145) 3.595 3.548 ( -4.727 -5.503 3.233) 7.942 3.671 ( 3.309 0.451 -5.877) 6.760 4.006 ( 6.383 -9.211 -4.429) 12.050 4.174 ( 2.891 4.675 5.242) 7.596 5.133 ( -5.121 0.766 3.913) 6.491 5.274 ( 4.673 4.581 -3.741) 7.538 5.583 ( -2.754 4.122 -0.093) 4.958 6.214 ( -6.096 -0.457 -8.108) 10.155 6.504 ( -2.361 2.497 16.891) 17.237 6.566 ( 3.493 -2.529 1.412) 4.538 7.001 ( 3.090 2.181 -13.479) 13.999 7.234 ( -0.453 -0.047 8.936) 8.948 7.644 ( 0.685 -4.446 -6.085) 7.567 7.801 ( 6.528 -6.490 -3.014) 9.686 8.407 ( -15.142 1.281 24.455) 28.792 8.898 ( -5.741 0.023 29.691) 30.241 9.051 ( 0.757 0.036 -18.354) 18.370 9.427 ( 7.731 -2.731 -10.010) 12.940 9.888 ( 0.265 -1.350 -5.008) 5.193 9.985 ( -0.752 0.055 10.512) 10.539 10.352 ( 2.246 -1.246 -7.772) 8.185 10.498 ( 2.350 2.292 -7.833) 8.493 12.176 ( -9.272 1.091 12.682) 15.748 12.251 ( -1.232 -1.981 17.840) 17.992 12.425 ( 7.688 0.654 -15.086) 16.945 12.770 ( 1.710 3.492 -13.119) 13.683 13.863 ( -3.701 -9.276 8.796) 13.308 14.082 ( 2.941 -1.838 -8.020) 8.738 14.504 ( -0.606 8.988 -4.692) 10.158 14.764 ( 4.371 5.498 -6.524) 9.586 16.810 ( -2.080 -2.795 2.865) 4.511 16.871 ( -0.173 1.377 5.895) 6.057 16.990 ( -2.599 -2.059 2.103) 3.926 17.211 ( 2.069 3.007 4.207) 5.570 20.369 ( -5.393 1.858 24.759) 25.408 20.780 ( 10.700 -7.092 -29.585) 32.250 21.117 ( -5.873 2.298 15.313) 16.561 21.528 ( 5.550 2.223 -21.427) 22.246 29.099 ( -11.387 -1.775 23.414) 26.096 29.289 ( -4.691 8.350 20.484) 22.613 29.602 ( 12.711 -0.550 -17.678) 21.780 30.058 ( 8.341 -5.267 -7.926) 12.654 31.184 ( -1.794 2.446 6.999) 7.628 31.644 ( -9.759 0.972 -19.713) 22.018 31.974 ( -7.579 -2.767 22.608) 24.004 32.281 ( 17.382 1.274 -15.994) 23.655 35.607 ( 7.429 -7.665 4.264) 11.494 35.849 ( 9.057 -7.691 -0.601) 11.897 36.445 ( -14.447 9.094 -11.183) 20.408 36.883 ( -3.782 3.687 2.865) 6.009 ======================= Grid point 368 (196/201) ======================= q-point: (-0.38 -0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -13.145 0.000 10.588) 16.879 2.966 ( -13.250 0.000 14.430) 19.590 3.251 ( -3.950 0.000 9.021) 9.848 3.338 ( -5.242 0.000 -0.484) 5.264 3.449 ( 8.535 -0.000 1.224) 8.622 3.574 ( 1.346 -0.000 -7.088) 7.214 3.862 ( -4.271 0.000 -11.089) 11.883 4.027 ( 0.332 -0.000 10.039) 10.045 5.227 ( -10.338 0.000 6.701) 12.320 5.395 ( 0.064 -0.000 -2.465) 2.466 5.802 ( 7.921 -0.000 -1.454) 8.053 6.272 ( 12.358 -0.000 -1.640) 12.466 6.305 ( -5.181 0.000 -14.096) 15.018 6.580 ( 0.300 -0.000 23.721) 23.723 7.188 ( 2.320 -0.000 4.043) 4.661 7.233 ( 4.270 -0.000 -22.314) 22.719 7.373 ( -1.766 0.000 12.557) 12.681 7.515 ( 1.199 -0.000 -11.682) 11.743 8.566 ( -17.804 0.000 20.252) 26.965 8.833 ( -8.816 0.000 42.247) 43.157 9.119 ( -1.792 0.000 -22.698) 22.768 9.290 ( 9.806 -0.000 -10.727) 14.534 9.762 ( 1.021 -0.000 4.779) 4.887 9.912 ( 7.217 -0.000 -14.721) 16.395 10.400 ( -2.561 0.000 5.441) 6.014 10.574 ( 2.784 -0.000 -5.985) 6.600 12.147 ( -1.999 0.000 16.925) 17.042 12.322 ( -12.233 0.000 13.008) 17.856 12.415 ( 7.811 -0.000 -16.324) 18.096 12.866 ( 5.235 -0.000 -11.885) 12.987 13.654 ( -2.321 0.000 5.661) 6.118 13.909 ( 6.976 -0.000 -17.393) 18.740 14.814 ( -2.740 0.000 1.358) 3.058 14.963 ( 2.708 -0.000 -4.133) 4.941 16.715 ( -2.940 0.000 3.989) 4.956 16.829 ( 1.123 -0.000 5.035) 5.159 17.025 ( -3.046 0.000 1.410) 3.356 17.237 ( 5.020 -0.000 5.045) 7.117 20.301 ( -1.172 0.000 24.487) 24.515 20.600 ( 8.683 -0.000 -31.237) 32.421 21.221 ( -7.863 0.000 18.604) 20.198 21.621 ( 4.888 -0.000 -22.769) 23.288 29.047 ( -14.081 0.000 37.009) 39.597 29.496 ( 5.719 -0.000 -18.399) 19.267 29.613 ( -0.088 0.000 -27.229) 27.229 29.755 ( 16.687 -0.000 27.531) 32.194 31.275 ( -5.739 0.000 4.017) 7.005 31.872 ( -3.441 0.000 -21.318) 21.594 31.895 ( -5.625 0.000 23.306) 23.975 32.137 ( 17.482 -0.000 -13.936) 22.357 35.359 ( 5.971 -0.000 -0.801) 6.025 35.402 ( 7.720 -0.000 2.388) 8.081 36.918 ( -12.918 0.000 -20.778) 24.466 37.052 ( -5.946 0.000 15.330) 16.443 ======================= Grid point 369 (197/201) ======================= q-point: (-0.25 -0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -10.244 14.859 13.466) 22.518 2.744 ( -22.120 5.084 15.186) 27.308 3.246 ( -4.980 -1.722 9.742) 11.076 3.309 ( -3.774 -6.128 8.351) 11.025 3.386 ( -3.927 7.696 -6.613) 10.881 3.699 ( 8.327 -7.476 -5.665) 12.543 3.808 ( 4.907 2.848 -4.391) 7.174 4.135 ( 0.921 -6.598 6.681) 9.434 5.104 ( -11.324 0.872 3.026) 11.753 5.374 ( -0.867 1.200 0.253) 1.502 5.846 ( 9.744 9.113 -1.879) 13.473 6.201 ( -1.902 -0.807 -14.497) 14.643 6.431 ( 8.527 -3.036 -2.613) 9.421 6.636 ( -4.005 2.861 22.787) 23.313 7.127 ( 3.010 6.547 -14.079) 15.816 7.239 ( 0.596 0.178 5.298) 5.334 7.485 ( 1.845 -6.684 0.831) 6.983 7.541 ( 3.599 -8.279 -8.014) 12.072 8.435 ( -16.227 0.602 24.103) 29.062 8.894 ( -8.974 -0.102 39.397) 40.406 9.014 ( -0.723 -1.736 -23.267) 23.343 9.369 ( 7.843 -1.026 -8.824) 11.850 9.793 ( -0.823 -2.155 1.379) 2.688 9.957 ( 7.173 -1.926 -14.719) 16.487 10.387 ( -0.557 2.066 4.611) 5.083 10.571 ( 2.146 1.587 -4.740) 5.440 12.193 ( -3.978 -0.190 15.222) 15.735 12.230 ( -8.427 0.405 15.577) 17.714 12.448 ( 8.877 0.612 -17.095) 19.272 12.849 ( 2.042 1.676 -12.540) 12.816 13.672 ( -2.772 -3.460 6.594) 7.946 13.953 ( 6.581 -3.981 -17.405) 19.029 14.745 ( -2.397 5.608 1.185) 6.213 14.942 ( 2.213 4.289 -5.509) 7.324 16.714 ( -2.233 -2.352 3.210) 4.563 16.872 ( 0.801 -1.032 5.441) 5.595 16.991 ( -1.914 1.259 1.811) 2.920 17.302 ( 4.583 2.242 3.082) 5.960 20.391 ( -1.649 0.105 24.640) 24.695 20.616 ( 10.536 -3.571 -30.795) 32.743 21.183 ( -8.196 1.645 17.761) 19.630 21.574 ( 3.971 0.884 -22.175) 22.546 29.024 ( -15.641 -1.749 35.059) 38.430 29.485 ( -1.392 1.922 -16.461) 16.631 29.523 ( 10.009 -0.973 -20.731) 23.042 30.098 ( 22.154 3.738 19.601) 29.816 31.242 ( -0.973 1.270 4.894) 5.149 31.677 ( -9.582 0.962 -22.383) 24.367 31.914 ( -7.834 -1.217 22.538) 23.891 32.314 ( 18.419 0.776 -14.895) 23.700 35.458 ( 7.934 -1.961 1.467) 8.303 35.588 ( 10.316 -7.880 0.719) 13.002 36.623 ( -15.728 3.333 -17.840) 24.015 36.990 ( -10.059 2.515 12.729) 16.418 ======================= Grid point 370 (198/201) ======================= q-point: (-0.12 -0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -14.765 18.298 13.952) 27.341 2.591 ( -12.168 -1.636 17.517) 21.391 3.188 ( 1.967 11.825 -7.189) 13.978 3.267 ( -5.953 -5.539 5.657) 9.906 3.422 ( -4.018 -8.591 10.719) 14.313 3.770 ( 7.663 6.253 -4.694) 10.948 3.923 ( 4.271 -9.430 -2.694) 10.697 4.233 ( -0.595 -1.945 4.466) 4.907 4.955 ( -11.641 -0.906 0.703) 11.697 5.345 ( -2.037 0.871 1.059) 2.455 5.803 ( 10.529 12.552 -3.306) 16.714 6.147 ( 0.992 0.937 -8.228) 8.340 6.535 ( 1.906 -1.514 2.000) 3.151 6.616 ( -3.115 2.558 14.191) 14.752 7.027 ( 3.254 4.479 -12.790) 13.937 7.257 ( -1.916 0.336 8.465) 8.686 7.564 ( 0.902 -5.162 -4.139) 6.678 7.740 ( 5.554 -10.493 -5.608) 13.130 8.354 ( -12.340 0.351 28.708) 31.250 8.917 ( -2.305 -0.325 0.191) 2.335 8.976 ( -5.610 -2.685 12.936) 14.353 9.440 ( 6.295 -1.871 -10.809) 12.647 9.813 ( -2.178 -3.697 -1.882) 4.686 10.013 ( 4.749 -2.114 -9.625) 10.939 10.368 ( 1.612 3.043 0.425) 3.469 10.550 ( 2.415 3.081 -2.973) 4.916 12.133 ( -8.811 1.205 14.613) 17.106 12.281 ( -1.495 -2.102 17.011) 17.205 12.477 ( 8.934 1.160 -17.067) 19.299 12.770 ( -0.205 3.045 -13.286) 13.632 13.737 ( -3.417 -6.882 8.583) 11.520 14.027 ( 5.269 -5.251 -15.552) 17.239 14.617 ( -0.977 9.055 -0.463) 9.120 14.864 ( 1.668 6.277 -6.163) 8.953 16.744 ( -1.710 -3.500 2.339) 4.544 16.921 ( -0.815 -2.528 4.944) 5.612 16.956 ( -0.329 3.226 3.739) 4.950 17.312 ( 2.716 4.413 1.964) 5.541 20.447 ( -3.895 2.311 24.457) 24.872 20.702 ( 11.981 -6.077 -29.944) 32.820 21.126 ( -7.651 1.669 15.707) 17.551 21.517 ( 3.844 0.820 -21.528) 21.884 28.992 ( -15.698 -2.625 30.482) 34.387 29.388 ( -1.982 1.064 -8.773) 9.057 29.602 ( 12.106 -1.654 -18.525) 22.191 30.326 ( 19.433 12.261 9.217) 24.758 31.259 ( 2.905 1.901 8.300) 8.997 31.448 ( -9.453 0.356 -18.032) 20.363 31.919 ( -9.962 -1.985 21.536) 23.812 32.438 ( 14.385 1.772 -18.020) 23.126 35.635 ( 9.099 -5.922 3.547) 11.421 35.857 ( 10.751 -9.205 -0.426) 14.159 36.295 ( -14.941 5.005 -13.546) 20.779 36.855 ( -10.948 2.349 8.044) 13.787 ======================= Grid point 377 (199/201) ======================= q-point: (-0.25 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -18.326 0.000 19.145) 26.502 2.760 ( -13.867 0.000 20.772) 24.976 3.018 ( -13.292 0.000 5.591) 14.420 3.200 ( -5.652 0.000 6.703) 8.767 3.502 ( 2.199 -0.000 -10.899) 11.119 3.692 ( 7.527 -0.000 4.897) 8.980 3.960 ( 11.595 -0.000 -2.952) 11.965 4.084 ( -1.819 0.000 3.700) 4.123 4.997 ( -8.635 0.000 -0.739) 8.666 5.351 ( -4.403 0.000 2.771) 5.202 6.030 ( 6.882 -0.000 2.466) 7.310 6.141 ( 4.766 -0.000 -16.519) 17.192 6.498 ( 6.961 -0.000 -4.862) 8.490 6.675 ( -8.493 0.000 22.816) 24.345 7.211 ( 7.307 -0.000 -16.647) 18.180 7.246 ( -0.193 0.000 3.870) 3.875 7.466 ( 2.933 -0.000 -11.550) 11.917 7.467 ( 1.212 -0.000 8.110) 8.200 8.361 ( -13.106 0.000 28.302) 31.189 8.900 ( 0.290 -0.000 -21.318) 21.320 8.934 ( -10.938 0.000 38.909) 40.417 9.412 ( 6.687 -0.000 -11.055) 12.920 9.759 ( -3.157 0.000 0.915) 3.287 9.959 ( 8.048 -0.000 -22.807) 24.186 10.435 ( 1.602 -0.000 6.718) 6.907 10.592 ( 1.552 -0.000 -1.095) 1.899 12.154 ( -8.982 0.000 14.967) 17.456 12.251 ( -2.398 0.000 16.996) 17.165 12.497 ( 9.593 -0.000 -18.066) 20.455 12.817 ( -0.180 0.000 -13.245) 13.247 13.641 ( -2.395 0.000 5.944) 6.409 13.930 ( 6.209 -0.000 -18.143) 19.176 14.762 ( -1.957 0.000 1.363) 2.385 14.966 ( 0.983 -0.000 -6.236) 6.313 16.687 ( -1.377 0.000 2.792) 3.113 16.878 ( -1.410 0.000 3.004) 3.318 17.012 ( 1.056 -0.000 5.055) 5.164 17.385 ( 4.219 -0.000 0.445) 4.242 20.477 ( -2.001 0.000 24.502) 24.583 20.605 ( 12.316 -0.000 -30.304) 32.711 21.157 ( -9.265 0.000 17.031) 19.388 21.529 ( 3.024 -0.000 -22.010) 22.216 28.955 ( -16.736 0.000 35.021) 38.815 29.353 ( -0.635 0.000 -27.599) 27.606 29.621 ( 13.396 -0.000 -12.489) 18.315 30.546 ( 26.696 -0.000 16.212) 31.233 31.288 ( 2.689 -0.000 6.699) 7.219 31.457 ( -10.790 0.000 -20.254) 22.949 31.889 ( -9.321 0.000 21.612) 23.537 32.466 ( 14.705 -0.000 -17.643) 22.967 35.565 ( 9.148 -0.000 0.903) 9.192 35.658 ( 10.023 -0.000 1.491) 10.133 36.371 ( -15.305 0.000 -14.872) 21.340 36.903 ( -14.504 0.000 12.377) 19.067 ======================= Grid point 378 (200/201) ======================= q-point: (-0.12 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -17.516 12.232 19.756) 29.099 2.590 ( -5.141 5.688 20.442) 21.833 3.030 ( -10.123 -7.477 0.760) 12.608 3.211 ( -5.655 -9.073 5.777) 12.152 3.440 ( 4.316 6.125 -1.289) 7.603 3.845 ( 0.645 -5.318 4.941) 7.288 3.970 ( 8.173 7.248 -3.853) 11.583 4.187 ( 3.399 -5.503 0.857) 6.524 4.860 ( -7.424 3.234 -2.603) 8.506 5.288 ( -6.923 -0.093 0.577) 6.948 6.054 ( 6.342 7.065 1.001) 9.546 6.182 ( 6.990 0.123 -5.419) 8.846 6.549 ( 2.158 -0.257 -2.830) 3.568 6.638 ( -7.174 0.441 15.431) 17.023 7.131 ( 5.556 9.390 -10.494) 15.138 7.272 ( -1.507 0.842 5.605) 5.864 7.495 ( 2.207 -4.237 -5.006) 6.920 7.613 ( 2.985 -11.545 -4.204) 12.644 8.347 ( -9.012 -0.182 31.261) 32.535 8.846 ( 2.720 -1.974 -19.166) 19.459 8.948 ( -12.910 -1.002 35.831) 38.099 9.444 ( 5.578 -0.807 -14.075) 15.161 9.725 ( -4.477 -2.112 0.254) 4.957 9.972 ( 6.689 -2.761 -24.480) 25.527 10.470 ( 3.301 3.881 6.293) 8.097 10.607 ( 2.088 1.214 1.507) 2.847 12.111 ( -7.096 0.824 16.069) 17.585 12.297 ( -3.265 -1.493 16.821) 17.200 12.533 ( 8.636 0.951 -17.592) 19.620 12.738 ( -0.710 1.685 -14.443) 14.559 13.660 ( -2.514 -3.289 7.005) 8.137 13.956 ( 5.426 -3.920 -18.073) 19.273 14.711 ( -0.793 5.207 1.105) 5.381 14.920 ( 0.151 3.654 -6.425) 7.393 16.700 ( -0.643 -1.914 2.369) 3.113 16.869 ( -3.002 -1.560 1.760) 3.814 17.047 ( 2.305 2.338 7.510) 8.196 17.405 ( 2.440 3.181 -1.109) 4.159 20.531 ( -4.132 1.880 23.831) 24.259 20.674 ( 13.945 -3.409 -28.884) 32.254 21.097 ( -9.624 0.567 15.341) 18.119 21.472 ( 2.973 0.007 -21.866) 22.067 28.892 ( -16.672 -1.296 32.334) 36.402 29.261 ( 0.313 -2.776 -23.780) 23.944 29.745 ( 15.881 2.067 -11.944) 19.978 30.767 ( 8.927 11.846 1.074) 14.872 31.308 ( 2.733 0.106 -10.187) 10.548 31.370 ( 4.936 0.447 10.901) 11.975 31.859 ( -10.295 -0.547 20.526) 22.969 32.531 ( 9.339 1.136 -20.393) 22.458 35.701 ( 8.689 -2.755 2.505) 9.453 35.856 ( 9.538 -8.642 -0.665) 12.888 36.131 ( -10.124 2.946 -9.893) 14.459 36.739 ( -16.373 0.826 9.731) 19.064 ======================= Grid point 386 (201/201) ======================= q-point: (-0.12 -0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -7.397 0.000 19.737) 21.078 2.637 ( -10.203 0.000 23.745) 25.845 2.921 ( 0.750 -0.000 0.310) 0.811 3.034 ( -10.306 0.000 0.584) 10.322 3.526 ( 5.459 -0.000 -4.942) 7.364 3.826 ( -5.488 0.000 10.316) 11.685 4.063 ( 5.062 -0.000 -4.584) 6.829 4.272 ( 11.886 -0.000 0.128) 11.887 4.788 ( -5.537 0.000 -4.085) 6.880 5.187 ( -8.360 0.000 -2.044) 8.606 6.155 ( -1.585 0.000 11.418) 11.528 6.286 ( 11.961 -0.000 -5.199) 13.042 6.556 ( 2.594 -0.000 -9.123) 9.485 6.587 ( -10.414 0.000 17.657) 20.499 7.255 ( -2.088 0.000 5.588) 5.966 7.299 ( 7.066 -0.000 -10.626) 12.761 7.491 ( 8.573 -0.000 -14.745) 17.056 7.499 ( -3.478 0.000 5.491) 6.500 8.381 ( -6.832 0.000 32.731) 33.437 8.799 ( 4.148 -0.000 -15.254) 15.808 8.907 ( -15.607 0.000 34.237) 37.627 9.440 ( 5.274 -0.000 -18.397) 19.138 9.649 ( -5.317 0.000 1.635) 5.562 9.921 ( 6.545 -0.000 -28.081) 28.834 10.585 ( 5.045 -0.000 5.716) 7.624 10.648 ( 1.240 -0.000 4.631) 4.794 12.110 ( -5.050 0.000 17.054) 17.786 12.304 ( -5.102 0.000 17.099) 17.844 12.559 ( 4.332 -0.000 -14.905) 15.521 12.688 ( 2.704 -0.000 -17.895) 18.098 13.638 ( -1.884 0.000 6.122) 6.406 13.914 ( 4.904 -0.000 -18.596) 19.231 14.747 ( -0.151 0.000 1.734) 1.740 14.916 ( -0.412 0.000 -6.390) 6.404 16.695 ( 0.215 -0.000 2.489) 2.498 16.823 ( -3.532 0.000 1.523) 3.846 17.128 ( 2.201 -0.000 8.774) 9.046 17.442 ( 0.994 -0.000 -3.351) 3.495 20.580 ( -6.899 0.000 23.889) 24.866 20.723 ( 16.210 -0.000 -27.811) 32.190 21.033 ( -10.203 0.000 14.486) 17.719 21.415 ( 3.039 -0.000 -22.111) 22.319 28.804 ( -16.750 0.000 31.614) 35.778 29.164 ( 3.899 -0.000 -24.407) 24.717 29.928 ( 17.720 -0.000 -11.648) 21.205 30.727 ( -17.548 0.000 -8.161) 19.352 31.488 ( 4.680 -0.000 14.687) 15.414 31.511 ( 22.947 -0.000 -4.350) 23.356 31.816 ( -9.188 0.000 19.381) 21.449 32.530 ( 3.421 -0.000 -22.375) 22.635 35.794 ( 7.267 -0.000 1.778) 7.482 35.892 ( 7.175 -0.000 -0.453) 7.189 36.051 ( -0.449 0.000 -5.767) 5.785 36.553 ( -19.149 0.000 8.922) 21.125 =================== 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 3/38016 10.0 262.799 226.336 221.959 -0.000 164.712 0.000 3/38016 20.0 94.747 74.836 91.826 -0.000 31.537 0.000 3/38016 30.0 42.289 34.936 54.090 -0.000 6.904 0.000 3/38016 40.0 25.227 21.361 38.335 0.000 1.367 0.000 3/38016 50.0 17.409 14.896 29.612 0.000 -0.386 0.000 3/38016 60.0 13.097 11.237 24.142 0.000 -1.047 0.000 3/38016 70.0 10.437 8.946 20.455 0.000 -1.318 0.000 3/38016 80.0 8.663 7.406 17.823 0.000 -1.428 0.000 3/38016 90.0 7.408 6.314 15.857 0.000 -1.463 0.000 3/38016 100.0 6.479 5.506 14.331 0.000 -1.461 0.000 3/38016 110.0 5.767 4.887 13.112 0.000 -1.441 0.000 3/38016 120.0 5.204 4.400 12.115 0.000 -1.411 0.000 3/38016 130.0 4.749 4.006 11.283 0.000 -1.377 0.000 3/38016 140.0 4.374 3.683 10.579 0.000 -1.343 0.000 3/38016 150.0 4.060 3.413 9.976 0.000 -1.308 0.000 3/38016 160.0 3.793 3.183 9.454 0.000 -1.275 0.000 3/38016 170.0 3.565 2.986 8.997 0.000 -1.244 0.000 3/38016 180.0 3.367 2.814 8.595 0.000 -1.215 0.000 3/38016 190.0 3.195 2.664 8.238 0.000 -1.188 0.000 3/38016 200.0 3.044 2.531 7.920 0.000 -1.162 0.000 3/38016 210.0 2.910 2.413 7.634 0.000 -1.138 0.000 3/38016 220.0 2.791 2.307 7.375 0.000 -1.116 0.000 3/38016 230.0 2.684 2.212 7.141 0.000 -1.095 0.000 3/38016 240.0 2.589 2.126 6.927 0.000 -1.075 0.000 3/38016 250.0 2.503 2.048 6.731 0.000 -1.057 0.000 3/38016 260.0 2.425 1.976 6.550 0.000 -1.039 0.000 3/38016 270.0 2.354 1.910 6.382 0.000 -1.022 0.000 3/38016 280.0 2.289 1.850 6.227 0.000 -1.005 0.000 3/38016 290.0 2.230 1.794 6.081 0.000 -0.990 0.000 3/38016 300.0 2.175 1.742 5.945 0.000 -0.974 0.000 3/38016 310.0 2.124 1.694 5.817 0.000 -0.960 0.000 3/38016 320.0 2.077 1.649 5.696 0.000 -0.945 0.000 3/38016 330.0 2.033 1.607 5.582 0.000 -0.932 0.000 3/38016 340.0 1.991 1.567 5.473 0.000 -0.918 0.000 3/38016 350.0 1.952 1.530 5.370 0.000 -0.905 0.000 3/38016 360.0 1.916 1.495 5.271 0.000 -0.892 0.000 3/38016 370.0 1.881 1.462 5.177 0.000 -0.880 0.000 3/38016 380.0 1.848 1.430 5.086 0.000 -0.867 0.000 3/38016 390.0 1.817 1.401 4.999 0.000 -0.855 0.000 3/38016 400.0 1.787 1.372 4.915 0.000 -0.844 0.000 3/38016 410.0 1.758 1.345 4.835 0.000 -0.832 0.000 3/38016 420.0 1.730 1.319 4.757 0.000 -0.821 0.000 3/38016 430.0 1.704 1.294 4.682 0.000 -0.810 0.000 3/38016 440.0 1.679 1.271 4.609 0.000 -0.799 0.000 3/38016 450.0 1.654 1.248 4.538 0.000 -0.789 0.000 3/38016 460.0 1.630 1.226 4.470 0.000 -0.778 0.000 3/38016 470.0 1.607 1.205 4.404 0.000 -0.768 0.000 3/38016 480.0 1.585 1.185 4.339 0.000 -0.758 0.000 3/38016 490.0 1.563 1.165 4.277 0.000 -0.748 0.000 3/38016 500.0 1.542 1.147 4.216 0.000 -0.739 0.000 3/38016 510.0 1.522 1.128 4.157 0.000 -0.729 0.000 3/38016 520.0 1.502 1.111 4.099 0.000 -0.720 0.000 3/38016 530.0 1.483 1.094 4.043 0.000 -0.711 0.000 3/38016 540.0 1.464 1.077 3.988 0.000 -0.702 0.000 3/38016 550.0 1.446 1.061 3.935 0.000 -0.693 0.000 3/38016 560.0 1.428 1.046 3.883 0.000 -0.685 0.000 3/38016 570.0 1.410 1.031 3.832 0.000 -0.677 0.000 3/38016 580.0 1.393 1.016 3.782 0.000 -0.668 0.000 3/38016 590.0 1.376 1.002 3.734 0.000 -0.660 0.000 3/38016 600.0 1.360 0.988 3.687 0.000 -0.653 0.000 3/38016 610.0 1.344 0.975 3.641 0.000 -0.645 0.000 3/38016 620.0 1.328 0.962 3.595 0.000 -0.637 0.000 3/38016 630.0 1.313 0.949 3.551 0.000 -0.630 0.000 3/38016 640.0 1.298 0.937 3.508 0.000 -0.622 0.000 3/38016 650.0 1.283 0.925 3.466 0.000 -0.615 0.000 3/38016 660.0 1.269 0.913 3.425 0.000 -0.608 0.000 3/38016 670.0 1.255 0.902 3.384 0.000 -0.601 0.000 3/38016 680.0 1.241 0.891 3.345 0.000 -0.595 0.000 3/38016 690.0 1.228 0.880 3.306 0.000 -0.588 0.000 3/38016 700.0 1.214 0.869 3.268 0.000 -0.582 0.000 3/38016 710.0 1.201 0.859 3.231 0.000 -0.575 0.000 3/38016 720.0 1.189 0.848 3.195 0.000 -0.569 0.000 3/38016 730.0 1.176 0.839 3.160 0.000 -0.563 0.000 3/38016 740.0 1.164 0.829 3.125 0.000 -0.557 0.000 3/38016 750.0 1.152 0.819 3.091 0.000 -0.551 0.000 3/38016 760.0 1.140 0.810 3.057 0.000 -0.545 0.000 3/38016 770.0 1.128 0.801 3.024 0.000 -0.539 0.000 3/38016 780.0 1.117 0.792 2.992 0.000 -0.534 0.000 3/38016 790.0 1.106 0.783 2.961 0.000 -0.528 0.000 3/38016 800.0 1.095 0.775 2.930 0.000 -0.523 0.000 3/38016 810.0 1.084 0.767 2.899 0.000 -0.518 0.000 3/38016 820.0 1.073 0.758 2.870 0.000 -0.512 0.000 3/38016 830.0 1.063 0.751 2.840 0.000 -0.507 0.000 3/38016 840.0 1.053 0.743 2.812 0.000 -0.502 0.000 3/38016 850.0 1.043 0.735 2.784 0.000 -0.497 0.000 3/38016 860.0 1.033 0.727 2.756 0.000 -0.493 0.000 3/38016 870.0 1.023 0.720 2.729 0.000 -0.488 0.000 3/38016 880.0 1.013 0.713 2.702 0.000 -0.483 0.000 3/38016 890.0 1.004 0.706 2.676 0.000 -0.479 0.000 3/38016 900.0 0.995 0.699 2.651 0.000 -0.474 0.000 3/38016 910.0 0.986 0.692 2.625 0.000 -0.470 0.000 3/38016 920.0 0.977 0.685 2.601 0.000 -0.465 0.000 3/38016 930.0 0.968 0.679 2.576 0.000 -0.461 0.000 3/38016 940.0 0.959 0.672 2.552 0.000 -0.457 0.000 3/38016 950.0 0.951 0.666 2.529 0.000 -0.453 0.000 3/38016 960.0 0.943 0.660 2.506 0.000 -0.449 0.000 3/38016 970.0 0.934 0.654 2.483 0.000 -0.445 0.000 3/38016 980.0 0.926 0.648 2.461 0.000 -0.441 0.000 3/38016 990.0 0.918 0.642 2.439 0.000 -0.437 0.000 3/38016 1000.0 0.911 0.636 2.417 0.000 -0.433 0.000 3/38016 Thermal conductivity related properties were written into "kappa-m8811.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:52:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|