----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:12:19]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.175071620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.151601280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.503606609999999 Atomic positions (fractional): *1 Na 0.45498982663477 0.75000000000000 0.87226793266576 22.990 2 Na 0.95498982663477 0.75000000000000 0.62773206733424 22.990 3 Na 0.54501017336523 0.25000000000000 0.12773206733424 22.990 4 Na 0.04501017336523 0.25000000000000 0.37226793266576 22.990 *5 Na 0.10557915849228 0.75000000000000 0.96601431479275 22.990 6 Na 0.60557915849228 0.75000000000000 0.53398568520725 22.990 7 Na 0.89442084150772 0.25000000000000 0.03398568520725 22.990 8 Na 0.39442084150772 0.25000000000000 0.46601431479275 22.990 *9 Na 0.28004400251356 0.75000000000000 0.25165069289070 22.990 10 Na 0.78004400251356 0.75000000000000 0.24834930710930 22.990 11 Na 0.71995599748644 0.25000000000000 0.74834930710930 22.990 12 Na 0.21995599748644 0.25000000000000 0.75165069289070 22.990 *13 H 0.16873720811900 0.51878646957406 0.53405647316059 1.008 14 H 0.66873720811900 0.98121353042594 0.96594352683941 1.008 15 H 0.83126279188100 0.01878646957406 0.46594352683941 1.008 16 H 0.33126279188100 0.48121353042594 0.03405647316059 1.008 17 H 0.83126279188100 0.48121353042594 0.46594352683941 1.008 18 H 0.33126279188100 0.01878646957406 0.03405647316059 1.008 19 H 0.16873720811900 0.98121353042594 0.53405647316059 1.008 20 H 0.66873720811900 0.51878646957406 0.96594352683941 1.008 *21 H 0.39471426737200 0.52679461791638 0.66228811091812 1.008 22 H 0.89471426737200 0.97320538208362 0.83771188908188 1.008 23 H 0.60528573262800 0.02679461791637 0.33771188908188 1.008 24 H 0.10528573262800 0.47320538208363 0.16228811091812 1.008 25 H 0.60528573262800 0.47320538208363 0.33771188908188 1.008 26 H 0.10528573262800 0.02679461791637 0.16228811091812 1.008 27 H 0.39471426737200 0.97320538208362 0.66228811091812 1.008 28 H 0.89471426737200 0.52679461791638 0.83771188908188 1.008 *29 H 0.37830513652145 0.75000000000000 0.45270415685163 1.008 30 H 0.87830513652146 0.75000000000000 0.04729584314837 1.008 31 H 0.62169486347854 0.25000000000000 0.54729584314837 1.008 32 H 0.12169486347854 0.25000000000000 0.95270415685163 1.008 *33 H 0.18635042431843 0.75000000000000 0.74999926590442 1.008 34 H 0.68635042431843 0.75000000000000 0.75000073409558 1.008 35 H 0.81364957568157 0.25000000000000 0.25000073409558 1.008 36 H 0.31364957568157 0.25000000000000 0.24999926590442 1.008 *37 Ir 0.27950611578821 0.75000000000000 0.59918983084490 192.217 38 Ir 0.77950611578822 0.75000000000000 0.90081016915510 192.217 39 Ir 0.72049388421178 0.25000000000000 0.40081016915509 192.217 40 Ir 0.22049388421179 0.25000000000000 0.09918983084490 192.217 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.175071620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.151601280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.503606609999999 Atomic positions (fractional): *1 Na 0.45498982663477 0.75000000000000 0.87226793266576 22.990 > 1 2 Na 0.95498982663477 0.75000000000000 0.62773206733424 22.990 > 2 3 Na 0.54501017336523 0.25000000000000 0.12773206733424 22.990 > 3 4 Na 0.04501017336523 0.25000000000000 0.37226793266576 22.990 > 4 *5 Na 0.10557915849228 0.75000000000000 0.96601431479275 22.990 > 5 6 Na 0.60557915849228 0.75000000000000 0.53398568520725 22.990 > 6 7 Na 0.89442084150772 0.25000000000000 0.03398568520725 22.990 > 7 8 Na 0.39442084150772 0.25000000000000 0.46601431479275 22.990 > 8 *9 Na 0.28004400251356 0.75000000000000 0.25165069289070 22.990 > 9 10 Na 0.78004400251356 0.75000000000000 0.24834930710930 22.990 > 10 11 Na 0.71995599748644 0.25000000000000 0.74834930710930 22.990 > 11 12 Na 0.21995599748644 0.25000000000000 0.75165069289070 22.990 > 12 *13 H 0.16873720811900 0.51878646957406 0.53405647316059 1.008 > 13 14 H 0.66873720811900 0.98121353042594 0.96594352683941 1.008 > 14 15 H 0.83126279188100 0.01878646957406 0.46594352683941 1.008 > 15 16 H 0.33126279188100 0.48121353042594 0.03405647316059 1.008 > 16 17 H 0.83126279188100 0.48121353042594 0.46594352683941 1.008 > 17 18 H 0.33126279188100 0.01878646957406 0.03405647316059 1.008 > 18 19 H 0.16873720811900 0.98121353042594 0.53405647316059 1.008 > 19 20 H 0.66873720811900 0.51878646957406 0.96594352683941 1.008 > 20 *21 H 0.39471426737200 0.52679461791638 0.66228811091812 1.008 > 21 22 H 0.89471426737200 0.97320538208362 0.83771188908188 1.008 > 22 23 H 0.60528573262800 0.02679461791637 0.33771188908188 1.008 > 23 24 H 0.10528573262800 0.47320538208363 0.16228811091812 1.008 > 24 25 H 0.60528573262800 0.47320538208363 0.33771188908188 1.008 > 25 26 H 0.10528573262800 0.02679461791637 0.16228811091812 1.008 > 26 27 H 0.39471426737200 0.97320538208362 0.66228811091812 1.008 > 27 28 H 0.89471426737200 0.52679461791638 0.83771188908188 1.008 > 28 *29 H 0.37830513652145 0.75000000000000 0.45270415685163 1.008 > 29 30 H 0.87830513652146 0.75000000000000 0.04729584314837 1.008 > 30 31 H 0.62169486347854 0.25000000000000 0.54729584314837 1.008 > 31 32 H 0.12169486347854 0.25000000000000 0.95270415685163 1.008 > 32 *33 H 0.18635042431843 0.75000000000000 0.74999926590442 1.008 > 33 34 H 0.68635042431843 0.75000000000000 0.75000073409558 1.008 > 34 35 H 0.81364957568157 0.25000000000000 0.25000073409558 1.008 > 35 36 H 0.31364957568157 0.25000000000000 0.24999926590442 1.008 > 36 *37 Ir 0.27950611578821 0.75000000000000 0.59918983084490 192.217 > 37 38 Ir 0.77950611578822 0.75000000000000 0.90081016915510 192.217 > 38 39 Ir 0.72049388421178 0.25000000000000 0.40081016915509 192.217 > 39 40 Ir 0.22049388421179 0.25000000000000 0.09918983084490 192.217 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.175071620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.303202560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.503606609999999 Atomic positions (fractional): *1 Na 0.45498982663477 0.37500000000000 0.87226793266576 22.990 > 1 2 Na 0.45498982663477 0.87500000000000 0.87226793266576 22.990 > 1 3 Na 0.95498982663477 0.37500000000000 0.62773206733424 22.990 > 2 4 Na 0.95498982663477 0.87500000000000 0.62773206733424 22.990 > 2 5 Na 0.54501017336523 0.12500000000000 0.12773206733424 22.990 > 3 6 Na 0.54501017336523 0.62500000000000 0.12773206733424 22.990 > 3 7 Na 0.04501017336523 0.12500000000000 0.37226793266576 22.990 > 4 8 Na 0.04501017336523 0.62500000000000 0.37226793266576 22.990 > 4 *9 Na 0.10557915849228 0.37500000000000 0.96601431479275 22.990 > 5 10 Na 0.10557915849228 0.87500000000000 0.96601431479275 22.990 > 5 11 Na 0.60557915849228 0.37500000000000 0.53398568520725 22.990 > 6 12 Na 0.60557915849228 0.87500000000000 0.53398568520725 22.990 > 6 13 Na 0.89442084150772 0.12500000000000 0.03398568520725 22.990 > 7 14 Na 0.89442084150772 0.62500000000000 0.03398568520725 22.990 > 7 15 Na 0.39442084150772 0.12500000000000 0.46601431479275 22.990 > 8 16 Na 0.39442084150772 0.62500000000000 0.46601431479275 22.990 > 8 *17 Na 0.28004400251356 0.37500000000000 0.25165069289070 22.990 > 9 18 Na 0.28004400251356 0.87500000000000 0.25165069289070 22.990 > 9 19 Na 0.78004400251356 0.37500000000000 0.24834930710930 22.990 > 10 20 Na 0.78004400251356 0.87500000000000 0.24834930710930 22.990 > 10 21 Na 0.71995599748644 0.12500000000000 0.74834930710930 22.990 > 11 22 Na 0.71995599748644 0.62500000000000 0.74834930710930 22.990 > 11 23 Na 0.21995599748644 0.12500000000000 0.75165069289070 22.990 > 12 24 Na 0.21995599748644 0.62500000000000 0.75165069289070 22.990 > 12 *25 H 0.16873720811900 0.25939323478703 0.53405647316059 1.008 > 13 26 H 0.16873720811900 0.75939323478703 0.53405647316059 1.008 > 13 27 H 0.66873720811900 0.49060676521297 0.96594352683941 1.008 > 14 28 H 0.66873720811900 0.99060676521297 0.96594352683941 1.008 > 14 29 H 0.83126279188100 0.00939323478703 0.46594352683941 1.008 > 15 30 H 0.83126279188100 0.50939323478703 0.46594352683941 1.008 > 15 31 H 0.33126279188100 0.24060676521297 0.03405647316059 1.008 > 16 32 H 0.33126279188100 0.74060676521297 0.03405647316059 1.008 > 16 33 H 0.83126279188100 0.24060676521297 0.46594352683941 1.008 > 17 34 H 0.83126279188100 0.74060676521297 0.46594352683941 1.008 > 17 35 H 0.33126279188100 0.00939323478703 0.03405647316059 1.008 > 18 36 H 0.33126279188100 0.50939323478703 0.03405647316059 1.008 > 18 37 H 0.16873720811900 0.49060676521297 0.53405647316059 1.008 > 19 38 H 0.16873720811900 0.99060676521297 0.53405647316059 1.008 > 19 39 H 0.66873720811900 0.25939323478703 0.96594352683941 1.008 > 20 40 H 0.66873720811900 0.75939323478703 0.96594352683941 1.008 > 20 *41 H 0.39471426737200 0.26339730895819 0.66228811091812 1.008 > 21 42 H 0.39471426737200 0.76339730895819 0.66228811091812 1.008 > 21 43 H 0.89471426737200 0.48660269104181 0.83771188908188 1.008 > 22 44 H 0.89471426737200 0.98660269104181 0.83771188908188 1.008 > 22 45 H 0.60528573262800 0.01339730895819 0.33771188908188 1.008 > 23 46 H 0.60528573262800 0.51339730895819 0.33771188908188 1.008 > 23 47 H 0.10528573262800 0.23660269104181 0.16228811091812 1.008 > 24 48 H 0.10528573262800 0.73660269104181 0.16228811091812 1.008 > 24 49 H 0.60528573262800 0.23660269104181 0.33771188908188 1.008 > 25 50 H 0.60528573262800 0.73660269104181 0.33771188908188 1.008 > 25 51 H 0.10528573262800 0.01339730895819 0.16228811091812 1.008 > 26 52 H 0.10528573262800 0.51339730895819 0.16228811091812 1.008 > 26 53 H 0.39471426737200 0.48660269104181 0.66228811091812 1.008 > 27 54 H 0.39471426737200 0.98660269104181 0.66228811091812 1.008 > 27 55 H 0.89471426737200 0.26339730895819 0.83771188908188 1.008 > 28 56 H 0.89471426737200 0.76339730895819 0.83771188908188 1.008 > 28 *57 H 0.37830513652145 0.37500000000000 0.45270415685163 1.008 > 29 58 H 0.37830513652145 0.87500000000000 0.45270415685163 1.008 > 29 59 H 0.87830513652146 0.37500000000000 0.04729584314837 1.008 > 30 60 H 0.87830513652146 0.87500000000000 0.04729584314837 1.008 > 30 61 H 0.62169486347854 0.12500000000000 0.54729584314837 1.008 > 31 62 H 0.62169486347854 0.62500000000000 0.54729584314837 1.008 > 31 63 H 0.12169486347854 0.12500000000000 0.95270415685163 1.008 > 32 64 H 0.12169486347854 0.62500000000000 0.95270415685163 1.008 > 32 *65 H 0.18635042431843 0.37500000000000 0.74999926590442 1.008 > 33 66 H 0.18635042431843 0.87500000000000 0.74999926590442 1.008 > 33 67 H 0.68635042431843 0.37500000000000 0.75000073409558 1.008 > 34 68 H 0.68635042431843 0.87500000000000 0.75000073409558 1.008 > 34 69 H 0.81364957568157 0.12500000000000 0.25000073409558 1.008 > 35 70 H 0.81364957568157 0.62500000000000 0.25000073409558 1.008 > 35 71 H 0.31364957568157 0.12500000000000 0.24999926590442 1.008 > 36 72 H 0.31364957568157 0.62500000000000 0.24999926590442 1.008 > 36 *73 Ir 0.27950611578821 0.37500000000000 0.59918983084490 192.217 > 37 74 Ir 0.27950611578821 0.87500000000000 0.59918983084490 192.217 > 37 75 Ir 0.77950611578822 0.37500000000000 0.90081016915510 192.217 > 38 76 Ir 0.77950611578822 0.87500000000000 0.90081016915510 192.217 > 38 77 Ir 0.72049388421178 0.12500000000000 0.40081016915509 192.217 > 39 78 Ir 0.72049388421178 0.62500000000000 0.40081016915509 192.217 > 39 79 Ir 0.22049388421179 0.12500000000000 0.09918983084490 192.217 > 40 80 Ir 0.22049388421179 0.62500000000000 0.09918983084490 192.217 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4813253 0.0000000 0.0000000 0.0000000 3.5522081 0.0000000 0.0000000 0.0000000 3.3899406 -------------------------- Born effective charges -------------------------- 1 Na 1.2716552 0.0000000 0.0101972 0.0000000 0.8423121 0.0000000 0.0478928 0.0000000 1.0957385 2 Na 1.2716552 0.0000000 -0.0101972 0.0000000 0.8423121 0.0000000 -0.0478928 0.0000000 1.0957385 3 Na 1.2716552 0.0000000 0.0101972 0.0000000 0.8423121 0.0000000 0.0478928 0.0000000 1.0957385 4 Na 1.2716552 0.0000000 -0.0101972 0.0000000 0.8423121 0.0000000 -0.0478928 0.0000000 1.0957385 5 Na 1.0313405 0.0000000 0.0740082 0.0000000 1.0691741 0.0000000 0.0821961 0.0000000 0.8647627 6 Na 1.0313405 0.0000000 -0.0740082 0.0000000 1.0691741 0.0000000 -0.0821961 0.0000000 0.8647627 7 Na 1.0313405 0.0000000 0.0740082 0.0000000 1.0691741 0.0000000 0.0821961 0.0000000 0.8647627 8 Na 1.0313405 0.0000000 -0.0740082 0.0000000 1.0691741 0.0000000 -0.0821961 0.0000000 0.8647627 9 Na 0.7091364 0.0000000 0.1021673 0.0000000 1.2031220 0.0000000 0.1756758 0.0000000 1.1274044 10 Na 0.7091364 0.0000000 -0.1021673 0.0000000 1.2031220 0.0000000 -0.1756758 0.0000000 1.1274044 11 Na 0.7091364 0.0000000 0.1021673 0.0000000 1.2031220 0.0000000 0.1756758 0.0000000 1.1274044 12 Na 0.7091364 0.0000000 -0.1021673 0.0000000 1.2031220 0.0000000 -0.1756758 0.0000000 1.1274044 13 H -0.3197363 -0.5222992 -0.2755429 -0.5955218 -0.5828763 -0.3645638 -0.2620023 -0.3197622 -0.0176714 14 H -0.3197363 0.5222992 0.2755429 0.5955218 -0.5828763 -0.3645638 0.2620023 -0.3197622 -0.0176714 15 H -0.3197363 0.5222992 -0.2755429 0.5955218 -0.5828763 0.3645638 -0.2620023 0.3197622 -0.0176714 16 H -0.3197363 -0.5222992 0.2755429 -0.5955218 -0.5828763 0.3645638 0.2620023 0.3197622 -0.0176714 17 H -0.3197363 -0.5222992 -0.2755429 -0.5955218 -0.5828763 -0.3645638 -0.2620023 -0.3197622 -0.0176714 18 H -0.3197363 0.5222992 0.2755429 0.5955218 -0.5828763 -0.3645638 0.2620023 -0.3197622 -0.0176714 19 H -0.3197363 0.5222992 -0.2755429 0.5955218 -0.5828763 0.3645638 -0.2620023 0.3197622 -0.0176714 20 H -0.3197363 -0.5222992 0.2755429 -0.5955218 -0.5828763 0.3645638 0.2620023 0.3197622 -0.0176714 21 H -0.3299140 0.5061577 -0.2774282 0.5516575 -0.4882633 0.3313795 -0.2498866 0.2701770 -0.0021097 22 H -0.3299140 -0.5061577 0.2774282 -0.5516575 -0.4882633 0.3313795 0.2498866 0.2701770 -0.0021097 23 H -0.3299140 -0.5061577 -0.2774282 -0.5516575 -0.4882633 -0.3313795 -0.2498866 -0.2701770 -0.0021097 24 H -0.3299140 0.5061577 0.2774282 0.5516575 -0.4882633 -0.3313795 0.2498866 -0.2701770 -0.0021097 25 H -0.3299140 0.5061577 -0.2774282 0.5516575 -0.4882633 0.3313795 -0.2498866 0.2701770 -0.0021097 26 H -0.3299140 -0.5061577 0.2774282 -0.5516575 -0.4882633 0.3313795 0.2498866 0.2701770 -0.0021097 27 H -0.3299140 -0.5061577 -0.2774282 -0.5516575 -0.4882633 -0.3313795 -0.2498866 -0.2701770 -0.0021097 28 H -0.3299140 0.5061577 0.2774282 0.5516575 -0.4882633 -0.3313795 0.2498866 -0.2701770 -0.0021097 29 H -0.2449288 0.0000000 0.5970465 0.0000000 0.1345456 0.0000000 0.5530699 0.0000000 -0.6824029 30 H -0.2449288 0.0000000 -0.5970465 0.0000000 0.1345456 0.0000000 -0.5530699 0.0000000 -0.6824029 31 H -0.2449288 0.0000000 0.5970465 0.0000000 0.1345456 0.0000000 0.5530699 0.0000000 -0.6824029 32 H -0.2449288 0.0000000 -0.5970465 0.0000000 0.1345456 0.0000000 -0.5530699 0.0000000 -0.6824029 33 H -0.2045421 0.0000000 0.5818220 0.0000000 0.1674889 0.0000000 0.5547087 0.0000000 -0.7981013 34 H -0.2045421 0.0000000 -0.5818220 0.0000000 0.1674889 0.0000000 -0.5547087 0.0000000 -0.7981013 35 H -0.2045421 0.0000000 0.5818220 0.0000000 0.1674889 0.0000000 0.5547087 0.0000000 -0.7981013 36 H -0.2045421 0.0000000 -0.5818220 0.0000000 0.1674889 0.0000000 -0.5547087 0.0000000 -0.7981013 37 Ir -1.2633605 0.0000000 0.0068160 0.0000000 -1.2743635 0.0000000 -0.0679557 0.0000000 -1.5678391 38 Ir -1.2633605 0.0000000 -0.0068160 0.0000000 -1.2743635 0.0000000 0.0679557 0.0000000 -1.5678391 39 Ir -1.2633605 0.0000000 0.0068160 0.0000000 -1.2743635 0.0000000 -0.0679557 0.0000000 -1.5678391 40 Ir -1.2633605 0.0000000 -0.0068160 0.0000000 -1.2743635 0.0000000 0.0679557 0.0000000 -1.5678391 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1926 Number of blocks in projector: 1926 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 266 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 266 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 266 Use standard eigh solver. Tree of FC basis block matrices: - (1926, 1878), data: False |-- (266, 258), data: True |-- (266, 258), data: True |-- (266, 258), data: True |-- (328, 324), data: True |-- (328, 324), data: True |-- (472, 456), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.200 Solver_block: 200 / 640 - Time: 2.192 Solver_block: 300 / 640 - Time: 2.190 Solver_block: 400 / 640 - Time: 2.191 Solver_block: 500 / 640 - Time: 2.189 Solver_block: 600 / 640 - Time: 2.191 Solver_block: 640 / 640 - Time: 0.946 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.148 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1926 Number of blocks in projector: 1926 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 266 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 266 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 266 Use standard eigh solver. Tree of FC basis block matrices: - (1926, 1878), data: False |-- (266, 258), data: True |-- (266, 258), data: True |-- (266, 258), data: True |-- (328, 324), data: True |-- (328, 324), data: True |-- (472, 456), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:12:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:12:53]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.175071620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.151601280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.503606609999999 Atomic positions (fractional): 1 Na 0.45498982663477 0.75000000000000 0.87226793266576 22.990 2 Na 0.95498982663477 0.75000000000000 0.62773206733424 22.990 3 Na 0.54501017336523 0.25000000000000 0.12773206733424 22.990 4 Na 0.04501017336523 0.25000000000000 0.37226793266576 22.990 5 Na 0.10557915849228 0.75000000000000 0.96601431479275 22.990 6 Na 0.60557915849228 0.75000000000000 0.53398568520725 22.990 7 Na 0.89442084150772 0.25000000000000 0.03398568520725 22.990 8 Na 0.39442084150772 0.25000000000000 0.46601431479275 22.990 9 Na 0.28004400251356 0.75000000000000 0.25165069289070 22.990 10 Na 0.78004400251356 0.75000000000000 0.24834930710930 22.990 11 Na 0.71995599748644 0.25000000000000 0.74834930710930 22.990 12 Na 0.21995599748644 0.25000000000000 0.75165069289070 22.990 13 H 0.16873720811900 0.51878646957406 0.53405647316059 1.008 14 H 0.66873720811900 0.98121353042594 0.96594352683941 1.008 15 H 0.83126279188100 0.01878646957406 0.46594352683941 1.008 16 H 0.33126279188100 0.48121353042594 0.03405647316059 1.008 17 H 0.83126279188100 0.48121353042594 0.46594352683941 1.008 18 H 0.33126279188100 0.01878646957406 0.03405647316059 1.008 19 H 0.16873720811900 0.98121353042594 0.53405647316059 1.008 20 H 0.66873720811900 0.51878646957406 0.96594352683941 1.008 21 H 0.39471426737200 0.52679461791638 0.66228811091812 1.008 22 H 0.89471426737200 0.97320538208362 0.83771188908188 1.008 23 H 0.60528573262800 0.02679461791637 0.33771188908188 1.008 24 H 0.10528573262800 0.47320538208363 0.16228811091812 1.008 25 H 0.60528573262800 0.47320538208363 0.33771188908188 1.008 26 H 0.10528573262800 0.02679461791637 0.16228811091812 1.008 27 H 0.39471426737200 0.97320538208362 0.66228811091812 1.008 28 H 0.89471426737200 0.52679461791638 0.83771188908188 1.008 29 H 0.37830513652145 0.75000000000000 0.45270415685163 1.008 30 H 0.87830513652146 0.75000000000000 0.04729584314837 1.008 31 H 0.62169486347854 0.25000000000000 0.54729584314837 1.008 32 H 0.12169486347854 0.25000000000000 0.95270415685163 1.008 33 H 0.18635042431843 0.75000000000000 0.74999926590442 1.008 34 H 0.68635042431843 0.75000000000000 0.75000073409558 1.008 35 H 0.81364957568157 0.25000000000000 0.25000073409558 1.008 36 H 0.31364957568157 0.25000000000000 0.24999926590442 1.008 37 Ir 0.27950611578821 0.75000000000000 0.59918983084490 192.217 38 Ir 0.77950611578822 0.75000000000000 0.90081016915510 192.217 39 Ir 0.72049388421178 0.25000000000000 0.40081016915509 192.217 40 Ir 0.22049388421179 0.25000000000000 0.09918983084490 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.175071620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.303202560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.503606609999999 Atomic positions (fractional): 1 Na 0.45498982663477 0.37500000000000 0.87226793266576 22.990 > 1 2 Na 0.45498982663477 0.87500000000000 0.87226793266576 22.990 > 1 3 Na 0.95498982663477 0.37500000000000 0.62773206733424 22.990 > 3 4 Na 0.95498982663477 0.87500000000000 0.62773206733424 22.990 > 3 5 Na 0.54501017336523 0.12500000000000 0.12773206733424 22.990 > 5 6 Na 0.54501017336523 0.62500000000000 0.12773206733424 22.990 > 5 7 Na 0.04501017336523 0.12500000000000 0.37226793266576 22.990 > 7 8 Na 0.04501017336523 0.62500000000000 0.37226793266576 22.990 > 7 9 Na 0.10557915849228 0.37500000000000 0.96601431479275 22.990 > 9 10 Na 0.10557915849228 0.87500000000000 0.96601431479275 22.990 > 9 11 Na 0.60557915849228 0.37500000000000 0.53398568520725 22.990 > 11 12 Na 0.60557915849228 0.87500000000000 0.53398568520725 22.990 > 11 13 Na 0.89442084150772 0.12500000000000 0.03398568520725 22.990 > 13 14 Na 0.89442084150772 0.62500000000000 0.03398568520725 22.990 > 13 15 Na 0.39442084150772 0.12500000000000 0.46601431479275 22.990 > 15 16 Na 0.39442084150772 0.62500000000000 0.46601431479275 22.990 > 15 17 Na 0.28004400251356 0.37500000000000 0.25165069289070 22.990 > 17 18 Na 0.28004400251356 0.87500000000000 0.25165069289070 22.990 > 17 19 Na 0.78004400251356 0.37500000000000 0.24834930710930 22.990 > 19 20 Na 0.78004400251356 0.87500000000000 0.24834930710930 22.990 > 19 21 Na 0.71995599748644 0.12500000000000 0.74834930710930 22.990 > 21 22 Na 0.71995599748644 0.62500000000000 0.74834930710930 22.990 > 21 23 Na 0.21995599748644 0.12500000000000 0.75165069289070 22.990 > 23 24 Na 0.21995599748644 0.62500000000000 0.75165069289070 22.990 > 23 25 H 0.16873720811900 0.25939323478703 0.53405647316059 1.008 > 25 26 H 0.16873720811900 0.75939323478703 0.53405647316059 1.008 > 25 27 H 0.66873720811900 0.49060676521297 0.96594352683941 1.008 > 27 28 H 0.66873720811900 0.99060676521297 0.96594352683941 1.008 > 27 29 H 0.83126279188100 0.00939323478703 0.46594352683941 1.008 > 29 30 H 0.83126279188100 0.50939323478703 0.46594352683941 1.008 > 29 31 H 0.33126279188100 0.24060676521297 0.03405647316059 1.008 > 31 32 H 0.33126279188100 0.74060676521297 0.03405647316059 1.008 > 31 33 H 0.83126279188100 0.24060676521297 0.46594352683941 1.008 > 33 34 H 0.83126279188100 0.74060676521297 0.46594352683941 1.008 > 33 35 H 0.33126279188100 0.00939323478703 0.03405647316059 1.008 > 35 36 H 0.33126279188100 0.50939323478703 0.03405647316059 1.008 > 35 37 H 0.16873720811900 0.49060676521297 0.53405647316059 1.008 > 37 38 H 0.16873720811900 0.99060676521297 0.53405647316059 1.008 > 37 39 H 0.66873720811900 0.25939323478703 0.96594352683941 1.008 > 39 40 H 0.66873720811900 0.75939323478703 0.96594352683941 1.008 > 39 41 H 0.39471426737200 0.26339730895819 0.66228811091812 1.008 > 41 42 H 0.39471426737200 0.76339730895819 0.66228811091812 1.008 > 41 43 H 0.89471426737200 0.48660269104181 0.83771188908188 1.008 > 43 44 H 0.89471426737200 0.98660269104181 0.83771188908188 1.008 > 43 45 H 0.60528573262800 0.01339730895819 0.33771188908188 1.008 > 45 46 H 0.60528573262800 0.51339730895819 0.33771188908188 1.008 > 45 47 H 0.10528573262800 0.23660269104181 0.16228811091812 1.008 > 47 48 H 0.10528573262800 0.73660269104181 0.16228811091812 1.008 > 47 49 H 0.60528573262800 0.23660269104181 0.33771188908188 1.008 > 49 50 H 0.60528573262800 0.73660269104181 0.33771188908188 1.008 > 49 51 H 0.10528573262800 0.01339730895819 0.16228811091812 1.008 > 51 52 H 0.10528573262800 0.51339730895819 0.16228811091812 1.008 > 51 53 H 0.39471426737200 0.48660269104181 0.66228811091812 1.008 > 53 54 H 0.39471426737200 0.98660269104181 0.66228811091812 1.008 > 53 55 H 0.89471426737200 0.26339730895819 0.83771188908188 1.008 > 55 56 H 0.89471426737200 0.76339730895819 0.83771188908188 1.008 > 55 57 H 0.37830513652145 0.37500000000000 0.45270415685163 1.008 > 57 58 H 0.37830513652145 0.87500000000000 0.45270415685163 1.008 > 57 59 H 0.87830513652146 0.37500000000000 0.04729584314837 1.008 > 59 60 H 0.87830513652146 0.87500000000000 0.04729584314837 1.008 > 59 61 H 0.62169486347854 0.12500000000000 0.54729584314837 1.008 > 61 62 H 0.62169486347854 0.62500000000000 0.54729584314837 1.008 > 61 63 H 0.12169486347854 0.12500000000000 0.95270415685163 1.008 > 63 64 H 0.12169486347854 0.62500000000000 0.95270415685163 1.008 > 63 65 H 0.18635042431843 0.37500000000000 0.74999926590442 1.008 > 65 66 H 0.18635042431843 0.87500000000000 0.74999926590442 1.008 > 65 67 H 0.68635042431843 0.37500000000000 0.75000073409558 1.008 > 67 68 H 0.68635042431843 0.87500000000000 0.75000073409558 1.008 > 67 69 H 0.81364957568157 0.12500000000000 0.25000073409558 1.008 > 69 70 H 0.81364957568157 0.62500000000000 0.25000073409558 1.008 > 69 71 H 0.31364957568157 0.12500000000000 0.24999926590442 1.008 > 71 72 H 0.31364957568157 0.62500000000000 0.24999926590442 1.008 > 71 73 Ir 0.27950611578821 0.37500000000000 0.59918983084490 192.217 > 73 74 Ir 0.27950611578821 0.87500000000000 0.59918983084490 192.217 > 73 75 Ir 0.77950611578822 0.37500000000000 0.90081016915510 192.217 > 75 76 Ir 0.77950611578822 0.87500000000000 0.90081016915510 192.217 > 75 77 Ir 0.72049388421178 0.12500000000000 0.40081016915509 192.217 > 77 78 Ir 0.72049388421178 0.62500000000000 0.40081016915509 192.217 > 77 79 Ir 0.22049388421179 0.12500000000000 0.09918983084490 192.217 > 79 80 Ir 0.22049388421179 0.62500000000000 0.09918983084490 192.217 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4813253 0.0000000 0.0000000 0.0000000 3.5522081 0.0000000 0.0000000 0.0000000 3.3899406 -------------------------- Born effective charges -------------------------- 1 Na 1.2716552 0.0000000 0.0101972 0.0000000 0.8423121 0.0000000 0.0478928 0.0000000 1.0957385 2 Na 1.2716552 0.0000000 -0.0101972 0.0000000 0.8423121 0.0000000 -0.0478928 0.0000000 1.0957385 3 Na 1.2716552 0.0000000 0.0101972 0.0000000 0.8423121 0.0000000 0.0478928 0.0000000 1.0957385 4 Na 1.2716552 0.0000000 -0.0101972 0.0000000 0.8423121 0.0000000 -0.0478928 0.0000000 1.0957385 5 Na 1.0313405 0.0000000 0.0740082 0.0000000 1.0691741 0.0000000 0.0821961 0.0000000 0.8647627 6 Na 1.0313405 0.0000000 -0.0740082 0.0000000 1.0691741 0.0000000 -0.0821961 0.0000000 0.8647627 7 Na 1.0313405 0.0000000 0.0740082 0.0000000 1.0691741 0.0000000 0.0821961 0.0000000 0.8647627 8 Na 1.0313405 0.0000000 -0.0740082 0.0000000 1.0691741 0.0000000 -0.0821961 0.0000000 0.8647627 9 Na 0.7091364 0.0000000 0.1021673 0.0000000 1.2031220 0.0000000 0.1756758 0.0000000 1.1274044 10 Na 0.7091364 0.0000000 -0.1021673 0.0000000 1.2031220 0.0000000 -0.1756758 0.0000000 1.1274044 11 Na 0.7091364 0.0000000 0.1021673 0.0000000 1.2031220 0.0000000 0.1756758 0.0000000 1.1274044 12 Na 0.7091364 0.0000000 -0.1021673 0.0000000 1.2031220 0.0000000 -0.1756758 0.0000000 1.1274044 13 H -0.3197363 -0.5222992 -0.2755429 -0.5955218 -0.5828763 -0.3645638 -0.2620023 -0.3197622 -0.0176714 14 H -0.3197363 0.5222992 0.2755429 0.5955218 -0.5828763 -0.3645638 0.2620023 -0.3197622 -0.0176714 15 H -0.3197363 0.5222992 -0.2755429 0.5955218 -0.5828763 0.3645638 -0.2620023 0.3197622 -0.0176714 16 H -0.3197363 -0.5222992 0.2755429 -0.5955218 -0.5828763 0.3645638 0.2620023 0.3197622 -0.0176714 17 H -0.3197363 -0.5222992 -0.2755429 -0.5955218 -0.5828763 -0.3645638 -0.2620023 -0.3197622 -0.0176714 18 H -0.3197363 0.5222992 0.2755429 0.5955218 -0.5828763 -0.3645638 0.2620023 -0.3197622 -0.0176714 19 H -0.3197363 0.5222992 -0.2755429 0.5955218 -0.5828763 0.3645638 -0.2620023 0.3197622 -0.0176714 20 H -0.3197363 -0.5222992 0.2755429 -0.5955218 -0.5828763 0.3645638 0.2620023 0.3197622 -0.0176714 21 H -0.3299140 0.5061577 -0.2774282 0.5516575 -0.4882633 0.3313795 -0.2498866 0.2701770 -0.0021097 22 H -0.3299140 -0.5061577 0.2774282 -0.5516575 -0.4882633 0.3313795 0.2498866 0.2701770 -0.0021097 23 H -0.3299140 -0.5061577 -0.2774282 -0.5516575 -0.4882633 -0.3313795 -0.2498866 -0.2701770 -0.0021097 24 H -0.3299140 0.5061577 0.2774282 0.5516575 -0.4882633 -0.3313795 0.2498866 -0.2701770 -0.0021097 25 H -0.3299140 0.5061577 -0.2774282 0.5516575 -0.4882633 0.3313795 -0.2498866 0.2701770 -0.0021097 26 H -0.3299140 -0.5061577 0.2774282 -0.5516575 -0.4882633 0.3313795 0.2498866 0.2701770 -0.0021097 27 H -0.3299140 -0.5061577 -0.2774282 -0.5516575 -0.4882633 -0.3313795 -0.2498866 -0.2701770 -0.0021097 28 H -0.3299140 0.5061577 0.2774282 0.5516575 -0.4882633 -0.3313795 0.2498866 -0.2701770 -0.0021097 29 H -0.2449288 0.0000000 0.5970465 0.0000000 0.1345456 0.0000000 0.5530699 0.0000000 -0.6824029 30 H -0.2449288 0.0000000 -0.5970465 0.0000000 0.1345456 0.0000000 -0.5530699 0.0000000 -0.6824029 31 H -0.2449288 0.0000000 0.5970465 0.0000000 0.1345456 0.0000000 0.5530699 0.0000000 -0.6824029 32 H -0.2449288 0.0000000 -0.5970465 0.0000000 0.1345456 0.0000000 -0.5530699 0.0000000 -0.6824029 33 H -0.2045421 0.0000000 0.5818220 0.0000000 0.1674889 0.0000000 0.5547087 0.0000000 -0.7981013 34 H -0.2045421 0.0000000 -0.5818220 0.0000000 0.1674889 0.0000000 -0.5547087 0.0000000 -0.7981013 35 H -0.2045421 0.0000000 0.5818220 0.0000000 0.1674889 0.0000000 0.5547087 0.0000000 -0.7981013 36 H -0.2045421 0.0000000 -0.5818220 0.0000000 0.1674889 0.0000000 -0.5547087 0.0000000 -0.7981013 37 Ir -1.2633605 0.0000000 0.0068160 0.0000000 -1.2743635 0.0000000 -0.0679557 0.0000000 -1.5678391 38 Ir -1.2633605 0.0000000 -0.0068160 0.0000000 -1.2743635 0.0000000 0.0679557 0.0000000 -1.5678391 39 Ir -1.2633605 0.0000000 0.0068160 0.0000000 -1.2743635 0.0000000 -0.0679557 0.0000000 -1.5678391 40 Ir -1.2633605 0.0000000 -0.0068160 0.0000000 -1.2743635 0.0000000 0.0679557 0.0000000 -1.5678391 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (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 2026-01-08 22:13:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:13:12]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.175071620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.151601280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.503606609999999 Atomic positions (fractional): 1 Na 0.45498982663477 0.75000000000000 0.87226793266576 22.990 2 Na 0.95498982663477 0.75000000000000 0.62773206733424 22.990 3 Na 0.54501017336523 0.25000000000000 0.12773206733424 22.990 4 Na 0.04501017336523 0.25000000000000 0.37226793266576 22.990 5 Na 0.10557915849228 0.75000000000000 0.96601431479275 22.990 6 Na 0.60557915849228 0.75000000000000 0.53398568520725 22.990 7 Na 0.89442084150772 0.25000000000000 0.03398568520725 22.990 8 Na 0.39442084150772 0.25000000000000 0.46601431479275 22.990 9 Na 0.28004400251356 0.75000000000000 0.25165069289070 22.990 10 Na 0.78004400251356 0.75000000000000 0.24834930710930 22.990 11 Na 0.71995599748644 0.25000000000000 0.74834930710930 22.990 12 Na 0.21995599748644 0.25000000000000 0.75165069289070 22.990 13 H 0.16873720811900 0.51878646957406 0.53405647316059 1.008 14 H 0.66873720811900 0.98121353042594 0.96594352683941 1.008 15 H 0.83126279188100 0.01878646957406 0.46594352683941 1.008 16 H 0.33126279188100 0.48121353042594 0.03405647316059 1.008 17 H 0.83126279188100 0.48121353042594 0.46594352683941 1.008 18 H 0.33126279188100 0.01878646957406 0.03405647316059 1.008 19 H 0.16873720811900 0.98121353042594 0.53405647316059 1.008 20 H 0.66873720811900 0.51878646957406 0.96594352683941 1.008 21 H 0.39471426737200 0.52679461791638 0.66228811091812 1.008 22 H 0.89471426737200 0.97320538208362 0.83771188908188 1.008 23 H 0.60528573262800 0.02679461791637 0.33771188908188 1.008 24 H 0.10528573262800 0.47320538208363 0.16228811091812 1.008 25 H 0.60528573262800 0.47320538208363 0.33771188908188 1.008 26 H 0.10528573262800 0.02679461791637 0.16228811091812 1.008 27 H 0.39471426737200 0.97320538208362 0.66228811091812 1.008 28 H 0.89471426737200 0.52679461791638 0.83771188908188 1.008 29 H 0.37830513652145 0.75000000000000 0.45270415685163 1.008 30 H 0.87830513652146 0.75000000000000 0.04729584314837 1.008 31 H 0.62169486347854 0.25000000000000 0.54729584314837 1.008 32 H 0.12169486347854 0.25000000000000 0.95270415685163 1.008 33 H 0.18635042431843 0.75000000000000 0.74999926590442 1.008 34 H 0.68635042431843 0.75000000000000 0.75000073409558 1.008 35 H 0.81364957568157 0.25000000000000 0.25000073409558 1.008 36 H 0.31364957568157 0.25000000000000 0.24999926590442 1.008 37 Ir 0.27950611578821 0.75000000000000 0.59918983084490 192.217 38 Ir 0.77950611578822 0.75000000000000 0.90081016915510 192.217 39 Ir 0.72049388421178 0.25000000000000 0.40081016915509 192.217 40 Ir 0.22049388421179 0.25000000000000 0.09918983084490 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.175071620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.303202560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.503606609999999 Atomic positions (fractional): 1 Na 0.45498982663477 0.37500000000000 0.87226793266576 22.990 > 1 2 Na 0.45498982663477 0.87500000000000 0.87226793266576 22.990 > 1 3 Na 0.95498982663477 0.37500000000000 0.62773206733424 22.990 > 3 4 Na 0.95498982663477 0.87500000000000 0.62773206733424 22.990 > 3 5 Na 0.54501017336523 0.12500000000000 0.12773206733424 22.990 > 5 6 Na 0.54501017336523 0.62500000000000 0.12773206733424 22.990 > 5 7 Na 0.04501017336523 0.12500000000000 0.37226793266576 22.990 > 7 8 Na 0.04501017336523 0.62500000000000 0.37226793266576 22.990 > 7 9 Na 0.10557915849228 0.37500000000000 0.96601431479275 22.990 > 9 10 Na 0.10557915849228 0.87500000000000 0.96601431479275 22.990 > 9 11 Na 0.60557915849228 0.37500000000000 0.53398568520725 22.990 > 11 12 Na 0.60557915849228 0.87500000000000 0.53398568520725 22.990 > 11 13 Na 0.89442084150772 0.12500000000000 0.03398568520725 22.990 > 13 14 Na 0.89442084150772 0.62500000000000 0.03398568520725 22.990 > 13 15 Na 0.39442084150772 0.12500000000000 0.46601431479275 22.990 > 15 16 Na 0.39442084150772 0.62500000000000 0.46601431479275 22.990 > 15 17 Na 0.28004400251356 0.37500000000000 0.25165069289070 22.990 > 17 18 Na 0.28004400251356 0.87500000000000 0.25165069289070 22.990 > 17 19 Na 0.78004400251356 0.37500000000000 0.24834930710930 22.990 > 19 20 Na 0.78004400251356 0.87500000000000 0.24834930710930 22.990 > 19 21 Na 0.71995599748644 0.12500000000000 0.74834930710930 22.990 > 21 22 Na 0.71995599748644 0.62500000000000 0.74834930710930 22.990 > 21 23 Na 0.21995599748644 0.12500000000000 0.75165069289070 22.990 > 23 24 Na 0.21995599748644 0.62500000000000 0.75165069289070 22.990 > 23 25 H 0.16873720811900 0.25939323478703 0.53405647316059 1.008 > 25 26 H 0.16873720811900 0.75939323478703 0.53405647316059 1.008 > 25 27 H 0.66873720811900 0.49060676521297 0.96594352683941 1.008 > 27 28 H 0.66873720811900 0.99060676521297 0.96594352683941 1.008 > 27 29 H 0.83126279188100 0.00939323478703 0.46594352683941 1.008 > 29 30 H 0.83126279188100 0.50939323478703 0.46594352683941 1.008 > 29 31 H 0.33126279188100 0.24060676521297 0.03405647316059 1.008 > 31 32 H 0.33126279188100 0.74060676521297 0.03405647316059 1.008 > 31 33 H 0.83126279188100 0.24060676521297 0.46594352683941 1.008 > 33 34 H 0.83126279188100 0.74060676521297 0.46594352683941 1.008 > 33 35 H 0.33126279188100 0.00939323478703 0.03405647316059 1.008 > 35 36 H 0.33126279188100 0.50939323478703 0.03405647316059 1.008 > 35 37 H 0.16873720811900 0.49060676521297 0.53405647316059 1.008 > 37 38 H 0.16873720811900 0.99060676521297 0.53405647316059 1.008 > 37 39 H 0.66873720811900 0.25939323478703 0.96594352683941 1.008 > 39 40 H 0.66873720811900 0.75939323478703 0.96594352683941 1.008 > 39 41 H 0.39471426737200 0.26339730895819 0.66228811091812 1.008 > 41 42 H 0.39471426737200 0.76339730895819 0.66228811091812 1.008 > 41 43 H 0.89471426737200 0.48660269104181 0.83771188908188 1.008 > 43 44 H 0.89471426737200 0.98660269104181 0.83771188908188 1.008 > 43 45 H 0.60528573262800 0.01339730895819 0.33771188908188 1.008 > 45 46 H 0.60528573262800 0.51339730895819 0.33771188908188 1.008 > 45 47 H 0.10528573262800 0.23660269104181 0.16228811091812 1.008 > 47 48 H 0.10528573262800 0.73660269104181 0.16228811091812 1.008 > 47 49 H 0.60528573262800 0.23660269104181 0.33771188908188 1.008 > 49 50 H 0.60528573262800 0.73660269104181 0.33771188908188 1.008 > 49 51 H 0.10528573262800 0.01339730895819 0.16228811091812 1.008 > 51 52 H 0.10528573262800 0.51339730895819 0.16228811091812 1.008 > 51 53 H 0.39471426737200 0.48660269104181 0.66228811091812 1.008 > 53 54 H 0.39471426737200 0.98660269104181 0.66228811091812 1.008 > 53 55 H 0.89471426737200 0.26339730895819 0.83771188908188 1.008 > 55 56 H 0.89471426737200 0.76339730895819 0.83771188908188 1.008 > 55 57 H 0.37830513652145 0.37500000000000 0.45270415685163 1.008 > 57 58 H 0.37830513652145 0.87500000000000 0.45270415685163 1.008 > 57 59 H 0.87830513652146 0.37500000000000 0.04729584314837 1.008 > 59 60 H 0.87830513652146 0.87500000000000 0.04729584314837 1.008 > 59 61 H 0.62169486347854 0.12500000000000 0.54729584314837 1.008 > 61 62 H 0.62169486347854 0.62500000000000 0.54729584314837 1.008 > 61 63 H 0.12169486347854 0.12500000000000 0.95270415685163 1.008 > 63 64 H 0.12169486347854 0.62500000000000 0.95270415685163 1.008 > 63 65 H 0.18635042431843 0.37500000000000 0.74999926590442 1.008 > 65 66 H 0.18635042431843 0.87500000000000 0.74999926590442 1.008 > 65 67 H 0.68635042431843 0.37500000000000 0.75000073409558 1.008 > 67 68 H 0.68635042431843 0.87500000000000 0.75000073409558 1.008 > 67 69 H 0.81364957568157 0.12500000000000 0.25000073409558 1.008 > 69 70 H 0.81364957568157 0.62500000000000 0.25000073409558 1.008 > 69 71 H 0.31364957568157 0.12500000000000 0.24999926590442 1.008 > 71 72 H 0.31364957568157 0.62500000000000 0.24999926590442 1.008 > 71 73 Ir 0.27950611578821 0.37500000000000 0.59918983084490 192.217 > 73 74 Ir 0.27950611578821 0.87500000000000 0.59918983084490 192.217 > 73 75 Ir 0.77950611578822 0.37500000000000 0.90081016915510 192.217 > 75 76 Ir 0.77950611578822 0.87500000000000 0.90081016915510 192.217 > 75 77 Ir 0.72049388421178 0.12500000000000 0.40081016915509 192.217 > 77 78 Ir 0.72049388421178 0.62500000000000 0.40081016915509 192.217 > 77 79 Ir 0.22049388421179 0.12500000000000 0.09918983084490 192.217 > 79 80 Ir 0.22049388421179 0.62500000000000 0.09918983084490 192.217 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4813253 0.0000000 0.0000000 0.0000000 3.5522081 0.0000000 0.0000000 0.0000000 3.3899406 -------------------------- Born effective charges -------------------------- 1 Na 1.2716552 0.0000000 0.0101972 0.0000000 0.8423121 0.0000000 0.0478928 0.0000000 1.0957385 2 Na 1.2716552 0.0000000 -0.0101972 0.0000000 0.8423121 0.0000000 -0.0478928 0.0000000 1.0957385 3 Na 1.2716552 0.0000000 0.0101972 0.0000000 0.8423121 0.0000000 0.0478928 0.0000000 1.0957385 4 Na 1.2716552 0.0000000 -0.0101972 0.0000000 0.8423121 0.0000000 -0.0478928 0.0000000 1.0957385 5 Na 1.0313405 0.0000000 0.0740082 0.0000000 1.0691741 0.0000000 0.0821961 0.0000000 0.8647627 6 Na 1.0313405 0.0000000 -0.0740082 0.0000000 1.0691741 0.0000000 -0.0821961 0.0000000 0.8647627 7 Na 1.0313405 0.0000000 0.0740082 0.0000000 1.0691741 0.0000000 0.0821961 0.0000000 0.8647627 8 Na 1.0313405 0.0000000 -0.0740082 0.0000000 1.0691741 0.0000000 -0.0821961 0.0000000 0.8647627 9 Na 0.7091364 0.0000000 0.1021673 0.0000000 1.2031220 0.0000000 0.1756758 0.0000000 1.1274044 10 Na 0.7091364 0.0000000 -0.1021673 0.0000000 1.2031220 0.0000000 -0.1756758 0.0000000 1.1274044 11 Na 0.7091364 0.0000000 0.1021673 0.0000000 1.2031220 0.0000000 0.1756758 0.0000000 1.1274044 12 Na 0.7091364 0.0000000 -0.1021673 0.0000000 1.2031220 0.0000000 -0.1756758 0.0000000 1.1274044 13 H -0.3197363 -0.5222992 -0.2755429 -0.5955218 -0.5828763 -0.3645638 -0.2620023 -0.3197622 -0.0176714 14 H -0.3197363 0.5222992 0.2755429 0.5955218 -0.5828763 -0.3645638 0.2620023 -0.3197622 -0.0176714 15 H -0.3197363 0.5222992 -0.2755429 0.5955218 -0.5828763 0.3645638 -0.2620023 0.3197622 -0.0176714 16 H -0.3197363 -0.5222992 0.2755429 -0.5955218 -0.5828763 0.3645638 0.2620023 0.3197622 -0.0176714 17 H -0.3197363 -0.5222992 -0.2755429 -0.5955218 -0.5828763 -0.3645638 -0.2620023 -0.3197622 -0.0176714 18 H -0.3197363 0.5222992 0.2755429 0.5955218 -0.5828763 -0.3645638 0.2620023 -0.3197622 -0.0176714 19 H -0.3197363 0.5222992 -0.2755429 0.5955218 -0.5828763 0.3645638 -0.2620023 0.3197622 -0.0176714 20 H -0.3197363 -0.5222992 0.2755429 -0.5955218 -0.5828763 0.3645638 0.2620023 0.3197622 -0.0176714 21 H -0.3299140 0.5061577 -0.2774282 0.5516575 -0.4882633 0.3313795 -0.2498866 0.2701770 -0.0021097 22 H -0.3299140 -0.5061577 0.2774282 -0.5516575 -0.4882633 0.3313795 0.2498866 0.2701770 -0.0021097 23 H -0.3299140 -0.5061577 -0.2774282 -0.5516575 -0.4882633 -0.3313795 -0.2498866 -0.2701770 -0.0021097 24 H -0.3299140 0.5061577 0.2774282 0.5516575 -0.4882633 -0.3313795 0.2498866 -0.2701770 -0.0021097 25 H -0.3299140 0.5061577 -0.2774282 0.5516575 -0.4882633 0.3313795 -0.2498866 0.2701770 -0.0021097 26 H -0.3299140 -0.5061577 0.2774282 -0.5516575 -0.4882633 0.3313795 0.2498866 0.2701770 -0.0021097 27 H -0.3299140 -0.5061577 -0.2774282 -0.5516575 -0.4882633 -0.3313795 -0.2498866 -0.2701770 -0.0021097 28 H -0.3299140 0.5061577 0.2774282 0.5516575 -0.4882633 -0.3313795 0.2498866 -0.2701770 -0.0021097 29 H -0.2449288 0.0000000 0.5970465 0.0000000 0.1345456 0.0000000 0.5530699 0.0000000 -0.6824029 30 H -0.2449288 0.0000000 -0.5970465 0.0000000 0.1345456 0.0000000 -0.5530699 0.0000000 -0.6824029 31 H -0.2449288 0.0000000 0.5970465 0.0000000 0.1345456 0.0000000 0.5530699 0.0000000 -0.6824029 32 H -0.2449288 0.0000000 -0.5970465 0.0000000 0.1345456 0.0000000 -0.5530699 0.0000000 -0.6824029 33 H -0.2045421 0.0000000 0.5818220 0.0000000 0.1674889 0.0000000 0.5547087 0.0000000 -0.7981013 34 H -0.2045421 0.0000000 -0.5818220 0.0000000 0.1674889 0.0000000 -0.5547087 0.0000000 -0.7981013 35 H -0.2045421 0.0000000 0.5818220 0.0000000 0.1674889 0.0000000 0.5547087 0.0000000 -0.7981013 36 H -0.2045421 0.0000000 -0.5818220 0.0000000 0.1674889 0.0000000 -0.5547087 0.0000000 -0.7981013 37 Ir -1.2633605 0.0000000 0.0068160 0.0000000 -1.2743635 0.0000000 -0.0679557 0.0000000 -1.5678391 38 Ir -1.2633605 0.0000000 -0.0068160 0.0000000 -1.2743635 0.0000000 0.0679557 0.0000000 -1.5678391 39 Ir -1.2633605 0.0000000 0.0068160 0.0000000 -1.2743635 0.0000000 -0.0679557 0.0000000 -1.5678391 40 Ir -1.2633605 0.0000000 -0.0068160 0.0000000 -1.2743635 0.0000000 0.0679557 0.0000000 -1.5678391 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 295, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.395 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.530 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 12.575 ( 0.000 0.000 0.000) 0.000 12.593 ( 0.000 0.000 0.000) 0.000 12.687 ( 0.000 0.000 0.000) 0.000 12.745 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.092 ( 0.000 0.000 0.000) 0.000 13.131 ( 0.000 0.000 0.000) 0.000 13.438 ( 0.000 0.000 0.000) 0.000 20.172 ( 0.000 0.000 0.000) 0.000 20.237 ( 0.000 0.000 0.000) 0.000 20.284 ( 0.000 0.000 0.000) 0.000 20.288 ( 0.000 0.000 0.000) 0.000 20.716 ( 0.000 0.000 0.000) 0.000 20.771 ( 0.000 0.000 0.000) 0.000 20.774 ( 0.000 0.000 0.000) 0.000 20.784 ( 0.000 0.000 0.000) 0.000 20.824 ( 0.000 0.000 0.000) 0.000 20.831 ( 0.000 0.000 0.000) 0.000 20.847 ( 0.000 0.000 0.000) 0.000 20.863 ( 0.000 0.000 0.000) 0.000 22.408 ( 0.000 0.000 0.000) 0.000 22.480 ( 0.000 0.000 0.000) 0.000 22.498 ( 0.000 0.000 0.000) 0.000 22.559 ( 0.000 0.000 0.000) 0.000 23.755 ( 0.000 0.000 0.000) 0.000 23.760 ( 0.000 0.000 0.000) 0.000 23.784 ( 0.000 0.000 0.000) 0.000 23.799 ( 0.000 0.000 0.000) 0.000 24.355 ( 0.000 0.000 0.000) 0.000 24.417 ( 0.000 0.000 0.000) 0.000 24.420 ( 0.000 0.000 0.000) 0.000 24.485 ( 0.000 0.000 0.000) 0.000 24.653 ( 0.000 0.000 0.000) 0.000 24.659 ( 0.000 0.000 0.000) 0.000 24.691 ( 0.000 0.000 0.000) 0.000 24.725 ( 0.000 0.000 0.000) 0.000 26.301 ( 0.000 0.000 0.000) 0.000 26.335 ( 0.000 0.000 0.000) 0.000 26.341 ( 0.000 0.000 0.000) 0.000 26.356 ( 0.000 0.000 0.000) 0.000 28.994 ( 0.000 0.000 0.000) 0.000 29.033 ( 0.000 0.000 0.000) 0.000 29.060 ( 0.000 0.000 0.000) 0.000 29.116 ( 0.000 0.000 0.000) 0.000 49.937 ( 0.000 0.000 0.000) 0.000 50.102 ( 0.000 0.000 0.000) 0.000 50.362 ( 0.000 0.000 0.000) 0.000 50.881 ( 0.000 0.000 0.000) 0.000 51.595 ( 0.000 0.000 0.000) 0.000 51.825 ( 0.000 0.000 0.000) 0.000 52.229 ( 0.000 0.000 0.000) 0.000 53.197 ( 0.000 0.000 0.000) 0.000 54.278 ( 0.000 0.000 0.000) 0.000 54.328 ( 0.000 0.000 0.000) 0.000 55.864 ( 0.000 0.000 0.000) 0.000 55.904 ( 0.000 0.000 0.000) 0.000 60.724 ( 0.000 0.000 0.000) 0.000 60.742 ( 0.000 0.000 0.000) 0.000 60.784 ( 0.000 0.000 0.000) 0.000 60.824 ( 0.000 0.000 0.000) 0.000 61.229 ( 0.000 0.000 0.000) 0.000 61.242 ( 0.000 0.000 0.000) 0.000 61.249 ( 0.000 0.000 0.000) 0.000 61.274 ( 0.000 0.000 0.000) 0.000 64.107 ( 0.000 0.000 0.000) 0.000 64.120 ( 0.000 0.000 0.000) 0.000 64.138 ( 0.000 0.000 0.000) 0.000 64.162 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 16.533 0.000 0.000) 16.533 0.432 ( 19.036 0.000 0.000) 19.036 0.846 ( 36.417 0.000 0.000) 36.417 1.245 ( -9.230 0.000 0.000) 9.230 1.456 ( -11.184 0.000 0.000) 11.184 1.534 ( 3.930 0.000 0.000) 3.930 1.667 ( -0.783 0.000 0.000) 0.783 1.684 ( 3.211 0.000 0.000) 3.211 2.084 ( -1.716 0.000 0.000) 1.716 2.164 ( -4.557 0.000 0.000) 4.557 2.294 ( 9.541 0.000 0.000) 9.541 2.909 ( 1.164 0.000 0.000) 1.164 2.939 ( -0.756 0.000 0.000) 0.756 3.079 ( -0.837 0.000 0.000) 0.837 3.090 ( -2.759 0.000 0.000) 2.759 3.308 ( -0.670 0.000 0.000) 0.670 3.315 ( 4.086 0.000 0.000) 4.086 3.568 ( -4.787 0.000 0.000) 4.787 3.874 ( -0.117 0.000 0.000) 0.117 3.891 ( -0.362 0.000 0.000) 0.362 4.157 ( 2.359 0.000 0.000) 2.359 4.197 ( 2.693 0.000 0.000) 2.693 4.356 ( -2.631 0.000 0.000) 2.631 4.450 ( 3.923 0.000 0.000) 3.923 4.507 ( -5.771 0.000 0.000) 5.771 4.595 ( -9.665 0.000 0.000) 9.665 4.752 ( -1.529 0.000 0.000) 1.529 4.766 ( -8.844 0.000 0.000) 8.844 4.859 ( 7.034 0.000 0.000) 7.034 5.046 ( -6.521 0.000 0.000) 6.521 5.113 ( -8.795 0.000 0.000) 8.795 5.317 ( -4.797 0.000 0.000) 4.797 5.329 ( 4.825 0.000 0.000) 4.825 5.398 ( 1.898 0.000 0.000) 1.898 5.454 ( -1.382 0.000 0.000) 1.382 5.481 ( -0.520 0.000 0.000) 0.520 5.551 ( -6.533 0.000 0.000) 6.533 5.642 ( 9.261 0.000 0.000) 9.261 5.648 ( 5.134 0.000 0.000) 5.134 5.867 ( -1.300 0.000 0.000) 1.300 5.957 ( 1.317 0.000 0.000) 1.317 6.001 ( 9.789 0.000 0.000) 9.789 6.169 ( 4.666 0.000 0.000) 4.666 6.596 ( -4.786 0.000 0.000) 4.786 6.661 ( 3.367 0.000 0.000) 3.367 6.766 ( 2.684 0.000 0.000) 2.684 6.909 ( -1.409 0.000 0.000) 1.409 6.950 ( -2.435 0.000 0.000) 2.435 7.253 ( 3.016 0.000 0.000) 3.016 7.520 ( -1.800 0.000 0.000) 1.800 7.693 ( 3.793 0.000 0.000) 3.793 8.104 ( -4.100 0.000 0.000) 4.100 12.575 ( 0.064 0.000 0.000) 0.064 12.592 ( -0.143 0.000 0.000) 0.143 12.695 ( 0.645 0.000 0.000) 0.645 12.740 ( -0.440 0.000 0.000) 0.440 12.995 ( 0.496 0.000 0.000) 0.496 13.065 ( -1.510 0.000 0.000) 1.510 13.181 ( 3.465 0.000 0.000) 3.465 13.434 ( -2.402 0.000 0.000) 2.402 20.177 ( 0.487 0.000 0.000) 0.487 20.229 ( -0.647 0.000 0.000) 0.647 20.285 ( 0.043 0.000 0.000) 0.043 20.288 ( 0.009 0.000 0.000) 0.009 20.720 ( 0.370 0.000 0.000) 0.370 20.764 ( -0.667 0.000 0.000) 0.667 20.775 ( 0.137 0.000 0.000) 0.137 20.786 ( 0.028 0.000 0.000) 0.028 20.826 ( 0.151 0.000 0.000) 0.151 20.833 ( 0.160 0.000 0.000) 0.160 20.846 ( -0.040 0.000 0.000) 0.040 20.861 ( -0.202 0.000 0.000) 0.202 22.477 ( -0.143 0.000 0.000) 0.143 22.478 ( -0.044 0.000 0.000) 0.044 22.507 ( 0.684 0.000 0.000) 0.684 22.554 ( -0.428 0.000 0.000) 0.428 23.752 ( -0.034 0.000 0.000) 0.034 23.769 ( 0.582 0.000 0.000) 0.582 23.778 ( -0.515 0.000 0.000) 0.515 23.799 ( -0.105 0.000 0.000) 0.105 24.356 ( 0.140 0.000 0.000) 0.140 24.392 ( -1.064 0.000 0.000) 1.064 24.448 ( 1.397 0.000 0.000) 1.397 24.525 ( -0.651 0.000 0.000) 0.651 24.660 ( 0.613 0.000 0.000) 0.613 24.662 ( 0.275 0.000 0.000) 0.275 24.688 ( -0.261 0.000 0.000) 0.261 24.718 ( -0.602 0.000 0.000) 0.602 26.304 ( 0.280 0.000 0.000) 0.280 26.331 ( -0.307 0.000 0.000) 0.307 26.348 ( 0.069 0.000 0.000) 0.069 26.355 ( -0.098 0.000 0.000) 0.098 28.998 ( 0.359 0.000 0.000) 0.359 29.029 ( -0.288 0.000 0.000) 0.288 29.103 ( 0.098 0.000 0.000) 0.098 29.114 ( -0.132 0.000 0.000) 0.132 49.977 ( 3.561 0.000 0.000) 3.561 50.175 ( 6.391 0.000 0.000) 6.391 50.322 ( -3.530 0.000 0.000) 3.530 50.805 ( -6.685 0.000 0.000) 6.685 51.855 ( 2.766 0.000 0.000) 2.766 52.186 ( -3.803 0.000 0.000) 3.803 53.271 ( 6.425 0.000 0.000) 6.425 53.792 ( -4.726 0.000 0.000) 4.726 54.279 ( 0.053 0.000 0.000) 0.053 54.317 ( -0.898 0.000 0.000) 0.898 55.919 ( 1.447 0.000 0.000) 1.447 56.174 ( -4.295 0.000 0.000) 4.295 60.642 ( -4.569 0.000 0.000) 4.569 60.645 ( -4.373 0.000 0.000) 4.373 60.888 ( 4.897 0.000 0.000) 4.897 60.903 ( 4.323 0.000 0.000) 4.323 61.195 ( -1.076 0.000 0.000) 1.076 61.227 ( -1.252 0.000 0.000) 1.252 61.298 ( 2.737 0.000 0.000) 2.737 61.304 ( 1.856 0.000 0.000) 1.856 64.048 ( -2.274 0.000 0.000) 2.274 64.081 ( -2.795 0.000 0.000) 2.795 64.192 ( 3.333 0.000 0.000) 3.333 64.216 ( 2.553 0.000 0.000) 2.553 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 14.896 0.000 0.000) 14.896 0.821 ( 16.660 0.000 0.000) 16.660 1.010 ( -12.295 0.000 0.000) 12.295 1.163 ( -14.681 0.000 0.000) 14.681 1.540 ( 25.964 0.000 0.000) 25.964 1.601 ( 2.366 0.000 0.000) 2.366 1.643 ( -1.482 0.000 0.000) 1.482 1.802 ( 7.209 0.000 0.000) 7.209 1.975 ( -13.407 0.000 0.000) 13.407 1.981 ( -7.365 0.000 0.000) 7.365 2.572 ( 14.755 0.000 0.000) 14.755 2.848 ( -8.675 0.000 0.000) 8.675 2.950 ( 2.554 0.000 0.000) 2.554 3.017 ( -3.505 0.000 0.000) 3.505 3.126 ( 5.226 0.000 0.000) 5.226 3.264 ( -4.906 0.000 0.000) 4.906 3.385 ( 2.148 0.000 0.000) 2.148 3.439 ( -4.659 0.000 0.000) 4.659 3.874 ( 0.167 0.000 0.000) 0.167 3.882 ( -0.452 0.000 0.000) 0.452 4.226 ( 4.208 0.000 0.000) 4.208 4.276 ( 4.409 0.000 0.000) 4.409 4.328 ( -1.290 0.000 0.000) 1.290 4.384 ( -5.380 0.000 0.000) 5.380 4.402 ( -3.862 0.000 0.000) 3.862 4.529 ( -9.713 0.000 0.000) 9.713 4.579 ( 6.114 0.000 0.000) 6.114 4.708 ( -3.701 0.000 0.000) 3.701 4.945 ( -2.669 0.000 0.000) 2.669 4.953 ( -4.318 0.000 0.000) 4.318 5.020 ( 7.536 0.000 0.000) 7.536 5.181 ( -7.077 0.000 0.000) 7.077 5.392 ( 1.778 0.000 0.000) 1.778 5.444 ( -3.316 0.000 0.000) 3.316 5.451 ( 0.552 0.000 0.000) 0.552 5.466 ( -0.774 0.000 0.000) 0.774 5.524 ( 8.553 0.000 0.000) 8.553 5.708 ( -6.292 0.000 0.000) 6.292 5.749 ( 4.083 0.000 0.000) 4.083 5.823 ( -2.708 0.000 0.000) 2.708 5.997 ( 7.714 0.000 0.000) 7.714 6.128 ( -0.607 0.000 0.000) 0.607 6.342 ( 7.614 0.000 0.000) 7.614 6.470 ( -5.372 0.000 0.000) 5.372 6.747 ( 3.689 0.000 0.000) 3.689 6.800 ( -0.371 0.000 0.000) 0.371 6.878 ( -0.907 0.000 0.000) 0.907 6.889 ( -2.280 0.000 0.000) 2.280 7.341 ( 4.811 0.000 0.000) 4.811 7.447 ( -4.530 0.000 0.000) 4.530 7.820 ( 7.226 0.000 0.000) 7.226 7.981 ( -6.949 0.000 0.000) 6.949 12.579 ( 0.290 0.000 0.000) 0.290 12.587 ( -0.319 0.000 0.000) 0.319 12.711 ( 0.792 0.000 0.000) 0.792 12.728 ( -0.685 0.000 0.000) 0.685 13.011 ( 0.923 0.000 0.000) 0.923 13.035 ( -1.239 0.000 0.000) 1.239 13.268 ( 4.376 0.000 0.000) 4.376 13.362 ( -4.029 0.000 0.000) 4.029 20.192 ( 0.831 0.000 0.000) 0.831 20.212 ( -0.917 0.000 0.000) 0.917 20.286 ( 0.074 0.000 0.000) 0.074 20.288 ( -0.055 0.000 0.000) 0.055 20.732 ( 0.659 0.000 0.000) 0.659 20.748 ( -0.789 0.000 0.000) 0.789 20.779 ( 0.217 0.000 0.000) 0.217 20.784 ( -0.168 0.000 0.000) 0.168 20.830 ( 0.226 0.000 0.000) 0.226 20.834 ( -0.102 0.000 0.000) 0.102 20.848 ( 0.257 0.000 0.000) 0.257 20.855 ( -0.339 0.000 0.000) 0.339 22.476 ( 0.027 0.000 0.000) 0.027 22.477 ( -0.083 0.000 0.000) 0.083 22.524 ( 0.817 0.000 0.000) 0.817 22.541 ( -0.719 0.000 0.000) 0.719 23.755 ( 0.332 0.000 0.000) 0.332 23.765 ( -0.570 0.000 0.000) 0.570 23.782 ( 0.591 0.000 0.000) 0.591 23.793 ( -0.398 0.000 0.000) 0.398 24.361 ( 0.360 0.000 0.000) 0.360 24.373 ( -0.704 0.000 0.000) 0.704 24.478 ( 1.336 0.000 0.000) 1.336 24.505 ( -1.103 0.000 0.000) 1.103 24.670 ( 0.435 0.000 0.000) 0.435 24.677 ( 0.662 0.000 0.000) 0.662 24.681 ( -0.105 0.000 0.000) 0.105 24.701 ( -0.977 0.000 0.000) 0.977 26.312 ( 0.452 0.000 0.000) 0.452 26.322 ( -0.460 0.000 0.000) 0.460 26.350 ( 0.099 0.000 0.000) 0.099 26.352 ( -0.124 0.000 0.000) 0.124 29.008 ( 0.554 0.000 0.000) 0.554 29.021 ( -0.512 0.000 0.000) 0.512 29.106 ( 0.174 0.000 0.000) 0.174 29.110 ( -0.194 0.000 0.000) 0.194 50.082 ( 5.788 0.000 0.000) 5.788 50.212 ( -5.699 0.000 0.000) 5.699 50.370 ( 10.454 0.000 0.000) 10.454 50.609 ( -10.705 0.000 0.000) 10.705 51.946 ( 5.382 0.000 0.000) 5.382 52.075 ( -6.000 0.000 0.000) 6.000 53.450 ( 9.279 0.000 0.000) 9.279 53.647 ( -8.274 0.000 0.000) 8.274 54.282 ( 0.353 0.000 0.000) 0.353 54.296 ( -0.864 0.000 0.000) 0.864 55.971 ( 3.382 0.000 0.000) 3.382 56.065 ( -5.075 0.000 0.000) 5.075 60.572 ( -1.660 0.000 0.000) 1.660 60.574 ( -1.818 0.000 0.000) 1.818 60.966 ( 2.046 0.000 0.000) 2.046 60.971 ( 1.604 0.000 0.000) 1.604 61.187 ( 0.244 0.000 0.000) 0.244 61.202 ( -0.991 0.000 0.000) 0.991 61.339 ( 1.092 0.000 0.000) 1.092 61.341 ( 0.991 0.000 0.000) 0.991 64.019 ( -0.345 0.000 0.000) 0.345 64.032 ( -1.537 0.000 0.000) 1.537 64.248 ( 1.554 0.000 0.000) 1.554 64.255 ( 0.839 0.000 0.000) 0.839 ======================= Grid point 5 (4/54) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 0.000 18.177 0.000) 18.177 0.416 ( 0.000 21.601 0.000) 21.601 0.820 ( 0.000 40.784 0.000) 40.784 1.502 ( 0.000 6.017 0.000) 6.017 1.582 ( 0.000 17.423 0.000) 17.423 1.654 ( 0.000 5.853 0.000) 5.853 1.800 ( 0.000 11.813 0.000) 11.813 1.818 ( 0.000 15.411 0.000) 15.411 2.075 ( 0.000 -12.822 0.000) 12.822 2.100 ( 0.000 1.049 0.000) 1.049 2.127 ( 0.000 2.709 0.000) 2.709 2.854 ( 0.000 -6.552 0.000) 6.552 3.066 ( 0.000 -5.518 0.000) 5.518 3.080 ( 0.000 -3.514 0.000) 3.514 3.177 ( 0.000 -12.623 0.000) 12.623 3.181 ( 0.000 -3.407 0.000) 3.407 3.288 ( 0.000 1.653 0.000) 1.653 3.743 ( 0.000 10.361 0.000) 10.361 3.878 ( 0.000 -1.686 0.000) 1.686 3.918 ( 0.000 3.619 0.000) 3.619 4.146 ( 0.000 2.613 0.000) 2.613 4.207 ( 0.000 3.838 0.000) 3.838 4.402 ( 0.000 0.056 0.000) 0.056 4.403 ( 0.000 -0.566 0.000) 0.566 4.545 ( 0.000 -7.051 0.000) 7.051 4.762 ( 0.000 4.338 0.000) 4.338 4.770 ( 0.000 -0.934 0.000) 0.934 4.832 ( 0.000 -3.152 0.000) 3.152 4.890 ( 0.000 8.185 0.000) 8.185 5.074 ( 0.000 -6.457 0.000) 6.457 5.194 ( 0.000 -5.434 0.000) 5.434 5.231 ( 0.000 -1.390 0.000) 1.390 5.304 ( 0.000 -6.382 0.000) 6.382 5.396 ( 0.000 1.286 0.000) 1.286 5.452 ( 0.000 -6.243 0.000) 6.243 5.476 ( 0.000 -3.544 0.000) 3.544 5.492 ( 0.000 0.153 0.000) 0.153 5.557 ( 0.000 2.017 0.000) 2.017 5.715 ( 0.000 -2.009 0.000) 2.009 5.797 ( 0.000 -7.261 0.000) 7.261 5.866 ( 0.000 -1.483 0.000) 1.483 5.872 ( 0.000 0.839 0.000) 0.839 6.097 ( 0.000 -4.451 0.000) 4.451 6.505 ( 0.000 7.341 0.000) 7.341 6.600 ( 0.000 -4.425 0.000) 4.425 6.680 ( 0.000 5.025 0.000) 5.025 6.921 ( 0.000 -0.124 0.000) 0.124 6.958 ( 0.000 -0.817 0.000) 0.817 7.351 ( 0.000 11.961 0.000) 11.961 7.588 ( 0.000 5.511 0.000) 5.511 7.714 ( 0.000 5.371 0.000) 5.371 8.173 ( 0.000 2.188 0.000) 2.188 12.669 ( 0.000 6.818 0.000) 6.818 12.673 ( 0.000 7.997 0.000) 7.997 12.757 ( 0.000 7.011 0.000) 7.011 12.808 ( 0.000 6.026 0.000) 6.026 12.990 ( 0.000 0.156 0.000) 0.156 13.077 ( 0.000 -1.509 0.000) 1.509 13.122 ( 0.000 -0.762 0.000) 0.762 13.410 ( 0.000 -2.865 0.000) 2.865 20.182 ( 0.000 0.977 0.000) 0.977 20.288 ( 0.000 0.313 0.000) 0.313 20.293 ( 0.000 0.485 0.000) 0.485 20.358 ( 0.000 0.100 0.000) 0.100 20.706 ( 0.000 -1.040 0.000) 1.040 20.757 ( 0.000 -1.561 0.000) 1.561 20.759 ( 0.000 -1.175 0.000) 1.175 20.772 ( 0.000 -1.148 0.000) 1.148 20.832 ( 0.000 0.618 0.000) 0.618 20.842 ( 0.000 0.049 0.000) 0.049 20.850 ( 0.000 0.266 0.000) 0.266 20.864 ( 0.000 0.081 0.000) 0.081 22.398 ( 0.000 -1.004 0.000) 1.004 22.466 ( 0.000 -1.384 0.000) 1.384 22.484 ( 0.000 -1.468 0.000) 1.468 22.543 ( 0.000 -1.606 0.000) 1.606 23.756 ( 0.000 0.105 0.000) 0.105 23.781 ( 0.000 -0.097 0.000) 0.097 23.786 ( 0.000 0.140 0.000) 0.140 23.800 ( 0.000 0.014 0.000) 0.014 24.359 ( 0.000 0.393 0.000) 0.393 24.413 ( 0.000 -0.338 0.000) 0.338 24.418 ( 0.000 -0.172 0.000) 0.172 24.480 ( 0.000 -0.533 0.000) 0.533 24.659 ( 0.000 0.587 0.000) 0.587 24.694 ( 0.000 0.305 0.000) 0.305 24.728 ( 0.000 0.294 0.000) 0.294 24.789 ( 0.000 -0.314 0.000) 0.314 26.293 ( 0.000 -0.806 0.000) 0.806 26.324 ( 0.000 -1.010 0.000) 1.010 26.331 ( 0.000 -1.005 0.000) 1.005 26.344 ( 0.000 -1.156 0.000) 1.156 28.993 ( 0.000 -0.054 0.000) 0.054 29.032 ( 0.000 -0.083 0.000) 0.083 29.056 ( 0.000 -0.419 0.000) 0.419 29.111 ( 0.000 -0.493 0.000) 0.493 50.207 ( 0.000 9.901 0.000) 9.901 50.494 ( 0.000 12.855 0.000) 12.855 50.988 ( 0.000 8.662 0.000) 8.662 51.493 ( 0.000 -8.102 0.000) 8.102 51.706 ( 0.000 -11.691 0.000) 11.691 51.955 ( 0.000 -24.157 0.000) 24.157 52.998 ( 0.000 -19.017 0.000) 19.017 53.112 ( 0.000 8.478 0.000) 8.478 54.311 ( 0.000 3.495 0.000) 3.495 54.337 ( 0.000 1.334 0.000) 1.334 55.780 ( 0.000 -8.066 0.000) 8.066 55.820 ( 0.000 -7.849 0.000) 7.849 60.738 ( 0.000 -6.481 0.000) 6.481 60.769 ( 0.000 1.933 0.000) 1.933 60.783 ( 0.000 0.054 0.000) 0.054 60.795 ( 0.000 5.735 0.000) 5.735 61.250 ( 0.000 0.684 0.000) 0.684 61.262 ( 0.000 2.857 0.000) 2.857 61.274 ( 0.000 2.777 0.000) 2.777 61.362 ( 0.000 6.652 0.000) 6.652 64.108 ( 0.000 0.122 0.000) 0.122 64.114 ( 0.000 -0.558 0.000) 0.558 64.131 ( 0.000 -0.722 0.000) 0.722 64.160 ( 0.000 -0.212 0.000) 0.212 ======================= Grid point 6 (5/54) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 13.173 14.536 0.000) 19.617 0.758 ( 16.124 19.048 0.000) 24.956 1.015 ( 22.716 23.139 0.000) 32.425 1.426 ( -6.401 15.512 0.000) 16.781 1.506 ( -10.933 5.818 0.000) 12.385 1.626 ( 3.236 8.645 0.000) 9.231 1.789 ( -0.882 8.927 0.000) 8.971 1.796 ( -0.318 12.088 0.000) 12.092 2.082 ( -2.301 0.721 0.000) 2.411 2.092 ( -0.228 -4.830 0.000) 4.835 2.253 ( 9.026 -1.419 0.000) 9.137 2.836 ( -2.196 -7.771 0.000) 8.076 3.007 ( -4.333 -0.438 0.000) 4.355 3.027 ( -2.728 -6.810 0.000) 7.336 3.138 ( -1.715 7.065 0.000) 7.270 3.212 ( 2.471 -9.071 0.000) 9.402 3.278 ( 3.352 -2.757 0.000) 4.340 3.678 ( -5.918 9.580 0.000) 11.261 3.883 ( 0.415 -0.709 0.000) 0.821 3.919 ( -0.117 4.033 0.000) 4.035 4.189 ( 2.384 2.765 0.000) 3.651 4.227 ( 1.627 2.847 0.000) 3.279 4.353 ( -3.817 -0.980 0.000) 3.941 4.433 ( 2.989 -2.207 0.000) 3.716 4.513 ( -5.319 -4.096 0.000) 6.713 4.637 ( -9.267 4.107 0.000) 10.136 4.668 ( -7.034 0.011 0.000) 7.034 4.745 ( -1.823 -0.960 0.000) 2.061 4.831 ( 1.777 -2.724 0.000) 3.252 5.055 ( -4.696 -2.162 0.000) 5.170 5.075 ( -7.496 -3.294 0.000) 8.188 5.187 ( -3.753 -9.141 0.000) 9.881 5.351 ( -0.431 -0.272 0.000) 0.510 5.413 ( -4.718 -4.399 0.000) 6.451 5.416 ( 1.380 -2.937 0.000) 3.245 5.434 ( 3.914 2.024 0.000) 4.406 5.541 ( -4.309 -2.400 0.000) 4.932 5.631 ( 4.568 -1.231 0.000) 4.731 5.639 ( 8.458 -0.514 0.000) 8.473 5.860 ( 1.144 -0.932 0.000) 1.475 5.919 ( 4.285 -3.539 0.000) 5.558 6.021 ( 10.075 1.272 0.000) 10.155 6.283 ( 2.707 6.040 0.000) 6.619 6.571 ( -4.173 -4.724 0.000) 6.303 6.610 ( 8.696 -7.722 0.000) 11.630 6.685 ( 1.886 4.449 0.000) 4.832 6.902 ( -1.618 -0.371 0.000) 1.661 6.936 ( -2.165 -1.020 0.000) 2.393 7.377 ( 2.207 11.174 0.000) 11.390 7.579 ( -1.391 5.707 0.000) 5.874 7.748 ( 3.509 5.261 0.000) 6.324 8.130 ( -3.886 2.455 0.000) 4.597 12.658 ( -0.356 7.615 0.000) 7.623 12.672 ( -0.186 7.944 0.000) 7.946 12.764 ( 0.485 6.755 0.000) 6.772 12.802 ( -0.472 5.939 0.000) 5.958 12.995 ( 0.513 0.205 0.000) 0.552 13.058 ( -1.153 -0.520 0.000) 1.265 13.163 ( 3.116 -1.687 0.000) 3.543 13.396 ( -1.810 -3.374 0.000) 3.829 20.188 ( 0.550 1.033 0.000) 1.170 20.279 ( -2.430 2.195 0.000) 3.274 20.288 ( 0.060 0.332 0.000) 0.337 20.299 ( -0.939 1.459 0.000) 1.735 20.710 ( 0.365 -1.046 0.000) 1.108 20.752 ( -0.591 -1.166 0.000) 1.307 20.759 ( 0.173 -1.532 0.000) 1.541 20.773 ( -0.027 -1.244 0.000) 1.244 20.833 ( 0.121 0.595 0.000) 0.607 20.838 ( -0.015 0.348 0.000) 0.348 20.849 ( -0.064 0.260 0.000) 0.268 20.862 ( -0.205 0.079 0.000) 0.219 22.436 ( 1.537 -2.834 0.000) 3.224 22.462 ( -0.207 -1.456 0.000) 1.471 22.493 ( 0.682 -1.460 0.000) 1.611 22.538 ( -0.411 -1.585 0.000) 1.637 23.757 ( 0.006 0.240 0.000) 0.240 23.776 ( 0.083 0.376 0.000) 0.385 23.780 ( -0.487 0.166 0.000) 0.515 23.799 ( -0.094 0.028 0.000) 0.098 24.360 ( 0.100 0.347 0.000) 0.361 24.391 ( -0.983 -0.095 0.000) 0.988 24.444 ( 1.294 -0.429 0.000) 1.363 24.494 ( 0.492 -1.554 0.000) 1.630 24.666 ( 0.574 0.544 0.000) 0.791 24.693 ( -0.139 0.419 0.000) 0.442 24.718 ( -1.410 1.114 0.000) 1.797 24.728 ( -1.946 2.178 0.000) 2.921 26.295 ( 0.258 -0.831 0.000) 0.870 26.320 ( -0.286 -1.042 0.000) 1.081 26.336 ( 0.194 -1.121 0.000) 1.137 26.343 ( -0.083 -1.139 0.000) 1.142 28.997 ( 0.349 -0.071 0.000) 0.356 29.029 ( -0.293 -0.088 0.000) 0.306 29.081 ( 1.081 -1.453 0.000) 1.811 29.109 ( -0.165 -0.524 0.000) 0.550 50.287 ( 7.014 10.428 0.000) 12.567 50.462 ( -2.758 13.716 0.000) 13.991 50.566 ( -24.146 30.442 0.000) 38.856 50.980 ( -9.027 19.344 0.000) 21.347 51.736 ( 2.755 -11.580 0.000) 11.903 52.042 ( -2.080 -15.660 0.000) 15.798 53.040 ( 3.604 -22.117 0.000) 22.409 53.263 ( 2.351 -34.939 0.000) 35.018 54.310 ( -0.087 3.428 0.000) 3.429 54.330 ( -0.501 1.717 0.000) 1.788 55.830 ( 0.956 -8.313 0.000) 8.368 55.947 ( 3.648 -15.322 0.000) 15.750 60.693 ( -2.194 1.224 0.000) 2.513 60.735 ( -2.109 4.673 0.000) 5.127 60.850 ( 3.179 -0.723 0.000) 3.260 60.902 ( 4.176 -0.060 0.000) 4.177 61.244 ( 1.139 3.777 0.000) 3.945 61.281 ( 0.577 3.397 0.000) 3.446 61.309 ( 2.207 1.911 0.000) 2.919 61.367 ( 0.309 6.010 0.000) 6.018 64.048 ( -2.153 0.125 0.000) 2.157 64.080 ( -2.581 -0.120 0.000) 2.583 64.184 ( 3.123 -0.742 0.000) 3.210 64.209 ( 2.417 -0.712 0.000) 2.519 ======================= Grid point 7 (6/54) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 14.124 8.836 0.000) 16.660 1.000 ( 9.347 22.866 0.000) 24.703 1.227 ( -12.519 6.505 0.000) 14.108 1.243 ( -9.570 19.255 0.000) 21.502 1.576 ( 19.773 6.492 0.000) 20.812 1.703 ( 2.344 8.762 0.000) 9.070 1.801 ( 2.235 13.034 0.000) 13.225 1.823 ( 4.581 1.423 0.000) 4.797 1.976 ( -7.010 0.412 0.000) 7.022 2.001 ( -8.872 4.881 0.000) 10.127 2.487 ( 11.959 -6.456 0.000) 13.590 2.724 ( -8.503 -9.223 0.000) 12.545 2.954 ( -0.507 -1.771 0.000) 1.842 2.972 ( -1.925 -5.311 0.000) 5.649 3.196 ( 5.608 5.196 0.000) 7.645 3.259 ( 0.910 -4.379 0.000) 4.473 3.348 ( 3.185 -2.085 0.000) 3.807 3.493 ( -9.931 7.538 0.000) 12.468 3.895 ( 0.645 1.263 0.000) 1.418 3.910 ( -0.671 3.293 0.000) 3.360 4.237 ( 2.476 1.238 0.000) 2.768 4.269 ( 2.411 -0.479 0.000) 2.459 4.294 ( -1.372 -3.022 0.000) 3.319 4.370 ( -5.817 -4.106 0.000) 7.120 4.461 ( -4.312 4.739 0.000) 6.408 4.488 ( -3.776 -1.518 0.000) 4.070 4.586 ( 4.185 1.200 0.000) 4.354 4.697 ( -3.545 -1.052 0.000) 3.698 4.910 ( 2.276 -4.586 0.000) 5.119 4.939 ( -3.707 -1.541 0.000) 4.014 4.980 ( 0.813 -2.230 0.000) 2.374 5.083 ( -5.621 -8.163 0.000) 9.911 5.324 ( -0.558 -5.774 0.000) 5.801 5.337 ( -1.865 -7.505 0.000) 7.734 5.449 ( 1.560 0.783 0.000) 1.746 5.486 ( -1.818 0.402 0.000) 1.862 5.582 ( 7.757 2.782 0.000) 8.241 5.709 ( -2.475 -2.180 0.000) 3.298 5.732 ( 4.723 -1.208 0.000) 4.875 5.850 ( -5.518 2.718 0.000) 6.151 6.014 ( 8.922 0.735 0.000) 8.952 6.156 ( -0.585 2.303 0.000) 2.377 6.373 ( 5.147 2.949 0.000) 5.932 6.460 ( -4.100 -1.872 0.000) 4.508 6.736 ( 1.905 0.006 0.000) 1.905 6.739 ( 2.577 -4.629 0.000) 5.298 6.865 ( -1.199 -1.012 0.000) 1.569 6.877 ( -2.445 -1.087 0.000) 2.675 7.442 ( 3.584 9.319 0.000) 9.984 7.523 ( -3.491 7.162 0.000) 7.967 7.864 ( 6.657 4.295 0.000) 7.922 8.013 ( -6.494 3.189 0.000) 7.235 12.658 ( 0.262 7.677 0.000) 7.681 12.665 ( -0.371 7.809 0.000) 7.818 12.776 ( 0.619 6.262 0.000) 6.293 12.790 ( -0.625 5.935 0.000) 5.968 13.011 ( 0.906 0.284 0.000) 0.949 13.033 ( -1.081 0.127 0.000) 1.088 13.244 ( 4.121 -2.373 0.000) 4.756 13.333 ( -3.745 -2.899 0.000) 4.736 20.205 ( 1.037 1.259 0.000) 1.631 20.233 ( -1.593 1.869 0.000) 2.456 20.290 ( 0.112 0.390 0.000) 0.406 20.293 ( -0.135 0.514 0.000) 0.531 20.721 ( 0.648 -1.063 0.000) 1.245 20.737 ( -0.766 -1.097 0.000) 1.338 20.764 ( 0.275 -1.454 0.000) 1.479 20.770 ( -0.228 -1.352 0.000) 1.371 20.836 ( 0.176 0.531 0.000) 0.560 20.839 ( -0.036 0.424 0.000) 0.426 20.849 ( 0.197 0.142 0.000) 0.243 20.856 ( -0.333 0.081 0.000) 0.343 22.454 ( 0.370 -2.102 0.000) 2.135 22.459 ( -0.132 -1.652 0.000) 1.657 22.509 ( 0.800 -1.486 0.000) 1.688 22.526 ( -0.696 -1.536 0.000) 1.686 23.759 ( 0.267 0.321 0.000) 0.417 23.768 ( -0.521 0.241 0.000) 0.575 23.784 ( 0.510 0.135 0.000) 0.527 23.794 ( -0.375 0.058 0.000) 0.379 24.364 ( 0.295 0.233 0.000) 0.376 24.373 ( -0.626 0.078 0.000) 0.631 24.471 ( 1.148 -0.695 0.000) 1.342 24.491 ( -0.638 -1.149 0.000) 1.315 24.682 ( 0.753 0.427 0.000) 0.866 24.691 ( 0.096 0.845 0.000) 0.850 24.691 ( -0.550 1.484 0.000) 1.583 24.706 ( -0.934 0.622 0.000) 1.122 26.303 ( 0.412 -0.898 0.000) 0.988 26.312 ( -0.413 -0.985 0.000) 1.068 26.339 ( 0.105 -1.083 0.000) 1.088 26.341 ( -0.108 -1.103 0.000) 1.108 29.008 ( 0.549 -0.090 0.000) 0.557 29.020 ( -0.513 -0.095 0.000) 0.522 29.096 ( 0.458 -0.942 0.000) 1.047 29.104 ( -0.292 -0.644 0.000) 0.707 50.343 ( -1.330 21.231 0.000) 21.273 50.382 ( -3.283 14.596 0.000) 14.960 50.500 ( 11.217 13.796 0.000) 17.781 50.758 ( -11.576 15.478 0.000) 19.328 51.824 ( 5.187 -11.632 0.000) 12.737 51.947 ( -5.617 -12.368 0.000) 13.584 53.138 ( 4.911 -29.489 0.000) 29.896 53.235 ( -3.568 -36.583 0.000) 36.756 54.310 ( 0.161 3.238 0.000) 3.242 54.318 ( -0.528 2.690 0.000) 2.741 55.866 ( 2.434 -9.592 0.000) 9.896 55.930 ( -3.028 -11.713 0.000) 12.098 60.666 ( -0.091 5.617 0.000) 5.618 60.688 ( -1.860 6.988 0.000) 7.232 60.909 ( 2.067 -1.996 0.000) 2.873 60.936 ( -0.252 -0.631 0.000) 0.680 61.280 ( 1.487 7.317 0.000) 7.467 61.293 ( 0.268 5.632 0.000) 5.639 61.347 ( 1.331 0.851 0.000) 1.580 61.367 ( -0.447 3.499 0.000) 3.527 64.021 ( -0.283 0.295 0.000) 0.409 64.034 ( -1.441 0.242 0.000) 1.461 64.237 ( 1.526 -1.019 0.000) 1.835 64.246 ( 0.757 -0.952 0.000) 1.216 ======================= Grid point 10 (7/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 19.599 0.000) 19.599 0.839 ( 0.000 21.950 0.000) 21.950 1.547 ( 0.000 32.521 0.000) 32.521 1.652 ( 0.000 8.372 0.000) 8.372 1.761 ( 0.000 -16.920 0.000) 16.920 1.808 ( 0.000 9.538 0.000) 9.538 1.984 ( 0.000 20.946 0.000) 20.946 2.082 ( 0.000 15.601 0.000) 15.601 2.140 ( 0.000 3.785 0.000) 3.785 2.178 ( 0.000 19.846 0.000) 19.846 2.203 ( 0.000 5.336 0.000) 5.336 2.736 ( 0.000 -5.134 0.000) 5.134 2.890 ( 0.000 -15.532 0.000) 15.532 2.924 ( 0.000 -8.769 0.000) 8.769 2.984 ( 0.000 -6.186 0.000) 6.186 3.088 ( 0.000 -5.936 0.000) 5.936 3.332 ( 0.000 2.732 0.000) 2.732 3.833 ( 0.000 -2.906 0.000) 2.906 3.942 ( 0.000 8.990 0.000) 8.990 4.002 ( 0.000 4.965 0.000) 4.965 4.205 ( 0.000 3.063 0.000) 3.063 4.298 ( 0.000 5.063 0.000) 5.063 4.367 ( 0.000 -3.454 0.000) 3.454 4.388 ( 0.000 -0.937 0.000) 0.937 4.437 ( 0.000 -3.719 0.000) 3.719 4.721 ( 0.000 -4.317 0.000) 4.317 4.748 ( 0.000 -5.187 0.000) 5.187 4.864 ( 0.000 3.798 0.000) 3.798 4.937 ( 0.000 -7.064 0.000) 7.064 5.006 ( 0.000 2.098 0.000) 2.098 5.093 ( 0.000 -3.748 0.000) 3.748 5.148 ( 0.000 -8.081 0.000) 8.081 5.219 ( 0.000 -0.569 0.000) 0.569 5.285 ( 0.000 -7.054 0.000) 7.054 5.381 ( 0.000 -4.572 0.000) 4.572 5.466 ( 0.000 -3.142 0.000) 3.142 5.483 ( 0.000 5.484 0.000) 5.484 5.591 ( 0.000 1.216 0.000) 1.216 5.635 ( 0.000 -5.360 0.000) 5.360 5.665 ( 0.000 -5.788 0.000) 5.788 5.834 ( 0.000 -1.376 0.000) 1.376 5.844 ( 0.000 -4.062 0.000) 4.062 6.056 ( 0.000 -0.119 0.000) 0.119 6.463 ( 0.000 -8.812 0.000) 8.812 6.645 ( 0.000 6.688 0.000) 6.688 6.817 ( 0.000 7.868 0.000) 7.868 6.935 ( 0.000 1.836 0.000) 1.836 6.945 ( 0.000 -0.527 0.000) 0.527 7.621 ( 0.000 14.733 0.000) 14.733 7.727 ( 0.000 8.203 0.000) 8.203 7.844 ( 0.000 7.393 0.000) 7.393 8.228 ( 0.000 3.124 0.000) 3.124 12.833 ( 0.000 8.434 0.000) 8.434 12.883 ( 0.000 12.843 0.000) 12.843 12.938 ( 0.000 5.253 0.000) 5.253 12.942 ( 0.000 11.358 0.000) 11.358 13.012 ( 0.000 3.222 0.000) 3.222 13.038 ( 0.000 -2.360 0.000) 2.360 13.128 ( 0.000 3.126 0.000) 3.126 13.332 ( 0.000 -4.929 0.000) 4.929 20.207 ( 0.000 1.596 0.000) 1.596 20.295 ( 0.000 0.433 0.000) 0.433 20.306 ( 0.000 0.824 0.000) 0.824 20.360 ( 0.000 0.127 0.000) 0.127 20.678 ( 0.000 -1.747 0.000) 1.747 20.718 ( 0.000 -2.352 0.000) 2.352 20.728 ( 0.000 -1.955 0.000) 1.955 20.742 ( 0.000 -1.942 0.000) 1.942 20.843 ( 0.000 0.078 0.000) 0.078 20.844 ( 0.000 0.652 0.000) 0.652 20.856 ( 0.000 0.314 0.000) 0.314 20.866 ( 0.000 0.107 0.000) 0.107 22.373 ( 0.000 -1.507 0.000) 1.507 22.429 ( 0.000 -2.227 0.000) 2.227 22.445 ( 0.000 -2.404 0.000) 2.404 22.500 ( 0.000 -2.775 0.000) 2.775 23.759 ( 0.000 0.166 0.000) 0.166 23.778 ( 0.000 -0.162 0.000) 0.162 23.789 ( 0.000 0.214 0.000) 0.214 23.800 ( 0.000 0.009 0.000) 0.009 24.369 ( 0.000 0.681 0.000) 0.681 24.405 ( 0.000 -0.438 0.000) 0.438 24.414 ( 0.000 -0.249 0.000) 0.249 24.466 ( 0.000 -0.811 0.000) 0.811 24.673 ( 0.000 0.815 0.000) 0.815 24.701 ( 0.000 0.342 0.000) 0.342 24.735 ( 0.000 0.378 0.000) 0.378 24.781 ( 0.000 -0.499 0.000) 0.499 26.271 ( 0.000 -1.298 0.000) 1.298 26.298 ( 0.000 -1.663 0.000) 1.663 26.304 ( 0.000 -1.679 0.000) 1.679 26.314 ( 0.000 -1.897 0.000) 1.897 28.992 ( 0.000 -0.046 0.000) 0.046 29.030 ( 0.000 -0.072 0.000) 0.072 29.045 ( 0.000 -0.706 0.000) 0.706 29.097 ( 0.000 -0.858 0.000) 0.858 50.419 ( 0.000 9.503 0.000) 9.503 50.794 ( 0.000 14.168 0.000) 14.168 50.938 ( 0.000 -16.675 0.000) 16.675 51.405 ( 0.000 -30.724 0.000) 30.724 51.434 ( 0.000 -12.469 0.000) 12.469 51.565 ( 0.000 18.640 0.000) 18.640 52.563 ( 0.000 -22.277 0.000) 22.277 53.230 ( 0.000 2.944 0.000) 2.944 54.399 ( 0.000 5.347 0.000) 5.347 54.417 ( 0.000 7.432 0.000) 7.432 55.581 ( 0.000 -11.640 0.000) 11.640 55.637 ( 0.000 -10.222 0.000) 10.222 60.642 ( 0.000 -2.479 0.000) 2.479 60.792 ( 0.000 1.071 0.000) 1.071 60.816 ( 0.000 2.758 0.000) 2.758 60.886 ( 0.000 3.132 0.000) 3.132 61.260 ( 0.000 0.114 0.000) 0.114 61.312 ( 0.000 1.545 0.000) 1.545 61.349 ( 0.000 3.935 0.000) 3.935 61.460 ( 0.000 2.509 0.000) 2.509 64.102 ( 0.000 -0.651 0.000) 0.651 64.110 ( 0.000 0.078 0.000) 0.078 64.115 ( 0.000 -0.775 0.000) 0.775 64.154 ( 0.000 -0.361 0.000) 0.361 ======================= Grid point 11 (8/54) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 7.546 19.050 0.000) 20.490 1.030 ( 21.940 13.711 0.000) 25.872 1.587 ( 2.239 25.954 0.000) 26.051 1.681 ( 1.750 -1.242 0.000) 2.146 1.685 ( -7.400 14.268 0.000) 16.073 1.703 ( -3.694 3.210 0.000) 4.894 1.986 ( 0.706 17.757 0.000) 17.771 2.073 ( -1.006 13.593 0.000) 13.630 2.127 ( -0.843 5.143 0.000) 5.212 2.208 ( 1.252 14.922 0.000) 14.975 2.257 ( 3.457 2.369 0.000) 4.191 2.694 ( -4.012 -6.667 0.000) 7.781 2.843 ( -1.240 -10.639 0.000) 10.711 2.944 ( -2.605 -4.690 0.000) 5.365 3.013 ( 4.995 -10.481 0.000) 11.610 3.123 ( 1.867 -6.799 0.000) 7.051 3.321 ( 1.016 5.274 0.000) 5.371 3.861 ( -6.484 8.058 0.000) 10.343 3.870 ( 2.714 -0.705 0.000) 2.804 4.019 ( 0.274 6.106 0.000) 6.113 4.222 ( 0.701 -0.956 0.000) 1.185 4.293 ( -1.497 3.072 0.000) 3.417 4.309 ( -4.109 -2.828 0.000) 4.988 4.358 ( -3.050 -2.500 0.000) 3.944 4.448 ( 1.459 -1.691 0.000) 2.234 4.669 ( -5.358 -3.512 0.000) 6.407 4.715 ( -8.682 0.698 0.000) 8.710 4.755 ( -6.375 3.080 0.000) 7.080 4.772 ( -0.458 -2.555 0.000) 2.596 4.965 ( -3.195 -5.969 0.000) 6.770 4.981 ( -7.382 -8.513 0.000) 11.268 5.030 ( -3.552 -3.317 0.000) 4.860 5.266 ( -1.822 -7.152 0.000) 7.381 5.335 ( -6.150 -4.244 0.000) 7.473 5.420 ( 7.256 3.004 0.000) 7.854 5.468 ( -2.212 -3.708 0.000) 4.318 5.478 ( 1.904 2.320 0.000) 3.001 5.607 ( 2.870 -1.051 0.000) 3.056 5.609 ( 5.208 -2.806 0.000) 5.915 5.783 ( 6.561 -6.667 0.000) 9.354 5.892 ( 4.269 0.969 0.000) 4.377 6.021 ( 11.813 -1.591 0.000) 11.919 6.283 ( 11.804 -3.070 0.000) 12.197 6.432 ( -3.039 -8.870 0.000) 9.377 6.622 ( -0.094 5.767 0.000) 5.768 6.806 ( -0.794 7.071 0.000) 7.116 6.910 ( -2.199 1.479 0.000) 2.650 6.918 ( -2.479 -0.848 0.000) 2.620 7.631 ( 0.903 14.001 0.000) 14.030 7.722 ( -0.670 8.436 0.000) 8.462 7.875 ( 2.982 7.251 0.000) 7.841 8.191 ( -3.300 3.517 0.000) 4.823 12.834 ( 0.211 8.810 0.000) 8.813 12.878 ( -0.461 12.321 0.000) 12.330 12.926 ( -0.761 4.796 0.000) 4.856 12.933 ( -0.640 9.758 0.000) 9.779 13.026 ( 1.112 4.537 0.000) 4.672 13.061 ( 1.437 0.825 0.000) 1.657 13.135 ( 0.923 0.806 0.000) 1.225 13.314 ( -1.758 -4.990 0.000) 5.291 20.214 ( 0.648 1.632 0.000) 1.756 20.296 ( 0.109 0.469 0.000) 0.482 20.302 ( -0.536 0.888 0.000) 1.037 20.330 ( -2.037 1.177 0.000) 2.352 20.682 ( 0.350 -1.758 0.000) 1.793 20.721 ( 0.223 -2.325 0.000) 2.335 20.722 ( -0.524 -1.916 0.000) 1.987 20.740 ( -0.144 -2.025 0.000) 2.030 20.844 ( 0.080 0.199 0.000) 0.214 20.845 ( 0.084 0.631 0.000) 0.637 20.855 ( -0.063 0.342 0.000) 0.348 20.864 ( -0.205 0.109 0.000) 0.232 22.388 ( 1.043 -2.181 0.000) 2.417 22.424 ( -0.312 -2.281 0.000) 2.302 22.454 ( 0.656 -2.422 0.000) 2.510 22.496 ( -0.357 -2.733 0.000) 2.756 23.761 ( 0.167 0.201 0.000) 0.261 23.779 ( 0.153 0.015 0.000) 0.153 23.784 ( -0.428 0.252 0.000) 0.497 23.800 ( -0.078 0.015 0.000) 0.079 24.369 ( 0.000 0.615 0.000) 0.615 24.389 ( -0.764 -0.083 0.000) 0.769 24.433 ( 1.053 -0.608 0.000) 1.216 24.470 ( 0.170 -1.064 0.000) 1.077 24.679 ( 0.473 0.749 0.000) 0.886 24.702 ( 0.102 0.472 0.000) 0.483 24.728 ( -0.661 0.412 0.000) 0.778 24.756 ( -1.687 0.587 0.000) 1.787 26.274 ( 0.201 -1.337 0.000) 1.352 26.293 ( -0.275 -1.621 0.000) 1.645 26.307 ( 0.173 -1.756 0.000) 1.765 26.313 ( -0.049 -1.876 0.000) 1.877 28.996 ( 0.326 -0.054 0.000) 0.330 29.027 ( -0.301 -0.078 0.000) 0.311 29.057 ( 0.872 -1.074 0.000) 1.383 29.095 ( -0.232 -0.894 0.000) 0.923 50.507 ( 7.387 9.800 0.000) 12.272 50.777 ( -1.021 14.173 0.000) 14.210 50.777 ( -9.457 -4.432 0.000) 10.443 51.366 ( -6.556 3.297 0.000) 7.338 51.477 ( 3.745 -10.917 0.000) 11.542 51.622 ( 4.412 -11.610 0.000) 12.420 52.536 ( -2.283 -25.726 0.000) 25.827 52.895 ( -21.471 -3.775 0.000) 21.800 54.394 ( 0.139 5.125 0.000) 5.126 54.416 ( -0.098 7.474 0.000) 7.475 55.637 ( 0.094 -10.735 0.000) 10.735 55.663 ( 3.425 -14.098 0.000) 14.508 60.655 ( 1.201 -1.901 0.000) 2.249 60.796 ( -1.759 2.234 0.000) 2.844 60.888 ( 5.609 -0.383 0.000) 5.622 60.906 ( 1.677 3.292 0.000) 3.695 61.288 ( 3.041 0.894 0.000) 3.169 61.354 ( 0.579 3.543 0.000) 3.590 61.361 ( 3.033 1.816 0.000) 3.536 61.464 ( 0.048 2.757 0.000) 2.758 64.054 ( -1.801 0.473 0.000) 1.862 64.079 ( -1.984 0.079 0.000) 1.986 64.166 ( 2.584 -1.067 0.000) 2.796 64.191 ( 2.002 -1.083 0.000) 2.276 ======================= Grid point 12 (9/54) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 11.017 14.353 0.000) 18.094 1.393 ( -4.617 15.292 0.000) 15.974 1.401 ( 2.544 11.529 0.000) 11.807 1.564 ( -6.518 8.894 0.000) 11.027 1.805 ( 7.102 5.167 0.000) 8.783 1.822 ( 10.490 15.447 0.000) 18.672 1.991 ( -1.113 16.233 0.000) 16.272 2.006 ( -5.606 8.616 0.000) 10.279 2.114 ( 1.801 14.363 0.000) 14.475 2.192 ( -3.060 12.467 0.000) 12.837 2.368 ( 6.974 -5.324 0.000) 8.774 2.553 ( -8.723 -7.970 0.000) 11.816 2.844 ( 1.198 -6.484 0.000) 6.594 2.887 ( -2.500 -4.236 0.000) 4.919 3.111 ( 3.480 -9.508 0.000) 10.125 3.148 ( 0.099 -8.059 0.000) 8.060 3.428 ( 8.703 7.403 0.000) 11.425 3.663 ( -11.288 8.114 0.000) 13.902 3.933 ( 2.959 2.816 0.000) 4.085 3.995 ( -2.410 5.457 0.000) 5.966 4.198 ( -2.516 -5.161 0.000) 5.742 4.204 ( -1.900 -7.394 0.000) 7.634 4.286 ( -0.561 0.727 0.000) 0.919 4.294 ( -1.718 0.653 0.000) 1.838 4.470 ( 0.326 -1.732 0.000) 1.763 4.521 ( -5.252 -0.102 0.000) 5.253 4.642 ( 2.124 4.254 0.000) 4.755 4.691 ( -1.383 1.304 0.000) 1.901 4.788 ( 0.982 -7.340 0.000) 7.405 4.846 ( -4.856 -8.830 0.000) 10.077 4.929 ( 0.260 -3.409 0.000) 3.419 4.964 ( -2.543 -2.346 0.000) 3.460 5.214 ( -2.027 -5.373 0.000) 5.742 5.215 ( -2.805 -4.655 0.000) 5.435 5.453 ( 0.372 -0.782 0.000) 0.866 5.461 ( -0.199 -2.974 0.000) 2.981 5.595 ( 3.819 -0.955 0.000) 3.936 5.643 ( -0.791 -3.771 0.000) 3.853 5.733 ( 8.158 1.795 0.000) 8.353 5.883 ( -3.410 -0.085 0.000) 3.411 6.009 ( 9.809 -0.588 0.000) 9.827 6.182 ( -1.921 -0.555 0.000) 1.999 6.378 ( 1.578 -5.837 0.000) 6.047 6.412 ( 1.272 0.025 0.000) 1.272 6.699 ( 5.171 1.427 0.000) 5.364 6.779 ( -2.105 4.056 0.000) 4.569 6.855 ( -2.140 0.317 0.000) 2.164 6.855 ( -2.331 -0.942 0.000) 2.514 7.659 ( 1.573 12.161 0.000) 12.262 7.695 ( -1.612 9.951 0.000) 10.081 7.970 ( 5.400 6.112 0.000) 8.156 8.093 ( -5.406 4.608 0.000) 7.104 12.844 ( 0.709 9.397 0.000) 9.423 12.863 ( -0.905 10.522 0.000) 10.560 12.916 ( -0.088 6.193 0.000) 6.194 12.920 ( -0.445 7.858 0.000) 7.871 13.053 ( 1.191 5.640 0.000) 5.764 13.072 ( -0.419 5.342 0.000) 5.359 13.183 ( 3.237 -3.567 0.000) 4.817 13.257 ( -3.247 -4.646 0.000) 5.668 20.236 ( 1.286 1.738 0.000) 2.162 20.270 ( -1.863 1.758 0.000) 2.562 20.300 ( 0.214 0.575 0.000) 0.614 20.306 ( -0.390 0.785 0.000) 0.877 20.693 ( 0.618 -1.790 0.000) 1.893 20.708 ( -0.714 -1.843 0.000) 1.977 20.727 ( 0.357 -2.251 0.000) 2.279 20.735 ( -0.327 -2.149 0.000) 2.174 20.847 ( 0.188 0.328 0.000) 0.378 20.848 ( 0.101 0.567 0.000) 0.576 20.854 ( 0.003 0.313 0.000) 0.313 20.858 ( -0.309 0.129 0.000) 0.334 22.407 ( 0.665 -2.503 0.000) 2.590 22.417 ( -0.348 -2.395 0.000) 2.420 22.470 ( 0.736 -2.511 0.000) 2.617 22.485 ( -0.620 -2.628 0.000) 2.700 23.765 ( 0.289 0.320 0.000) 0.431 23.774 ( -0.455 0.325 0.000) 0.559 23.786 ( 0.432 0.058 0.000) 0.436 23.795 ( -0.342 0.029 0.000) 0.343 24.370 ( 0.133 0.442 0.000) 0.461 24.376 ( -0.427 0.201 0.000) 0.472 24.455 ( 0.856 -0.910 0.000) 1.250 24.468 ( -0.359 -1.143 0.000) 1.198 24.692 ( 0.696 0.598 0.000) 0.917 24.708 ( 0.516 0.819 0.000) 0.967 24.709 ( -0.895 0.583 0.000) 1.068 24.726 ( -1.083 1.010 0.000) 1.481 26.280 ( 0.320 -1.437 0.000) 1.472 26.287 ( -0.329 -1.552 0.000) 1.586 26.310 ( 0.092 -1.792 0.000) 1.794 26.312 ( -0.070 -1.830 0.000) 1.831 29.006 ( 0.535 -0.075 0.000) 0.540 29.018 ( -0.514 -0.084 0.000) 0.520 29.075 ( 0.709 -1.161 0.000) 1.360 29.087 ( -0.455 -1.007 0.000) 1.106 50.633 ( 1.154 8.956 0.000) 9.030 50.647 ( -2.321 6.226 0.000) 6.645 50.850 ( 10.563 15.556 0.000) 18.803 51.137 ( -13.316 15.181 0.000) 20.194 51.582 ( 5.314 -8.231 0.000) 9.797 51.666 ( -1.268 -11.391 0.000) 11.461 52.489 ( -1.026 -31.598 0.000) 31.615 52.553 ( -8.568 -25.364 0.000) 26.772 54.404 ( 0.522 6.107 0.000) 6.130 54.413 ( -0.259 7.178 0.000) 7.183 55.648 ( 1.003 -12.041 0.000) 12.082 55.677 ( -1.240 -13.572 0.000) 13.629 60.693 ( 2.172 -0.613 0.000) 2.257 60.746 ( -2.588 0.825 0.000) 2.717 60.947 ( 1.678 3.143 0.000) 3.563 60.960 ( 0.945 1.539 0.000) 1.806 61.370 ( 3.061 0.989 0.000) 3.217 61.375 ( 1.109 2.905 0.000) 3.110 61.404 ( 1.165 3.895 0.000) 4.065 61.448 ( -1.710 3.054 0.000) 3.500 64.032 ( -0.191 0.845 0.000) 0.866 64.043 ( -1.155 0.710 0.000) 1.356 64.212 ( 1.391 -1.560 0.000) 2.090 64.221 ( 0.552 -1.520 0.000) 1.617 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 19.202 0.000) 19.202 1.265 ( 0.000 21.764 0.000) 21.764 1.470 ( 0.000 -11.238 0.000) 11.238 1.777 ( 0.000 2.934 0.000) 2.934 1.921 ( 0.000 4.998 0.000) 4.998 2.048 ( 0.000 13.420 0.000) 13.420 2.276 ( 0.000 5.464 0.000) 5.464 2.324 ( 0.000 10.970 0.000) 10.970 2.330 ( 0.000 16.975 0.000) 16.975 2.416 ( 0.000 14.569 0.000) 14.569 2.464 ( 0.000 1.795 0.000) 1.795 2.655 ( 0.000 -5.244 0.000) 5.244 2.693 ( 0.000 3.371 0.000) 3.371 2.767 ( 0.000 -3.360 0.000) 3.360 2.853 ( 0.000 -6.871 0.000) 6.871 2.958 ( 0.000 -7.344 0.000) 7.344 3.391 ( 0.000 3.289 0.000) 3.289 3.762 ( 0.000 -4.542 0.000) 4.542 4.072 ( 0.000 4.353 0.000) 4.353 4.112 ( 0.000 6.366 0.000) 6.366 4.255 ( 0.000 2.186 0.000) 2.186 4.286 ( 0.000 -4.471 0.000) 4.471 4.371 ( 0.000 -0.670 0.000) 0.670 4.394 ( 0.000 4.727 0.000) 4.727 4.408 ( 0.000 0.557 0.000) 0.557 4.617 ( 0.000 -5.788 0.000) 5.788 4.644 ( 0.000 -5.266 0.000) 5.266 4.810 ( 0.000 -5.824 0.000) 5.824 4.822 ( 0.000 -6.656 0.000) 6.656 4.936 ( 0.000 -7.754 0.000) 7.754 4.976 ( 0.000 -6.623 0.000) 6.623 5.089 ( 0.000 -8.515 0.000) 8.515 5.159 ( 0.000 6.329 0.000) 6.329 5.305 ( 0.000 4.715 0.000) 4.715 5.364 ( 0.000 2.019 0.000) 2.019 5.375 ( 0.000 -5.385 0.000) 5.385 5.549 ( 0.000 -3.302 0.000) 3.302 5.555 ( 0.000 -5.970 0.000) 5.970 5.598 ( 0.000 -0.589 0.000) 0.589 5.609 ( 0.000 6.927 0.000) 6.927 5.724 ( 0.000 -7.355 0.000) 7.355 5.833 ( 0.000 1.608 0.000) 1.608 6.060 ( 0.000 -0.126 0.000) 0.126 6.277 ( 0.000 -9.867 0.000) 9.867 6.758 ( 0.000 4.922 0.000) 4.922 6.935 ( 0.000 -0.664 0.000) 0.664 6.960 ( 0.000 6.388 0.000) 6.388 6.989 ( 0.000 3.323 0.000) 3.323 7.886 ( 0.000 7.805 0.000) 7.805 7.895 ( 0.000 12.936 0.000) 12.936 7.979 ( 0.000 6.081 0.000) 6.081 8.282 ( 0.000 2.134 0.000) 2.134 12.928 ( 0.000 2.234 0.000) 2.234 12.964 ( 0.000 -1.103 0.000) 1.103 12.986 ( 0.000 -2.401 0.000) 2.401 13.147 ( 0.000 13.042 0.000) 13.042 13.158 ( 0.000 10.387 0.000) 10.387 13.170 ( 0.000 11.305 0.000) 11.305 13.227 ( 0.000 -5.684 0.000) 5.684 13.268 ( 0.000 9.229 0.000) 9.229 20.240 ( 0.000 1.726 0.000) 1.726 20.303 ( 0.000 0.267 0.000) 0.267 20.323 ( 0.000 0.935 0.000) 0.935 20.362 ( 0.000 0.030 0.000) 0.030 20.642 ( 0.000 -1.826 0.000) 1.826 20.670 ( 0.000 -2.499 0.000) 2.499 20.688 ( 0.000 -2.008 0.000) 2.008 20.701 ( 0.000 -2.147 0.000) 2.147 20.846 ( 0.000 0.169 0.000) 0.169 20.856 ( 0.000 0.516 0.000) 0.516 20.860 ( 0.000 0.127 0.000) 0.127 20.868 ( 0.000 0.082 0.000) 0.082 22.345 ( 0.000 -1.196 0.000) 1.196 22.385 ( 0.000 -2.197 0.000) 2.197 22.396 ( 0.000 -2.452 0.000) 2.452 22.440 ( 0.000 -3.158 0.000) 3.158 23.762 ( 0.000 0.177 0.000) 0.177 23.775 ( 0.000 -0.181 0.000) 0.181 23.794 ( 0.000 0.200 0.000) 0.200 23.800 ( 0.000 -0.007 0.000) 0.007 24.384 ( 0.000 0.822 0.000) 0.822 24.398 ( 0.000 -0.270 0.000) 0.270 24.409 ( 0.000 -0.273 0.000) 0.273 24.450 ( 0.000 -0.868 0.000) 0.868 24.688 ( 0.000 0.687 0.000) 0.687 24.706 ( 0.000 0.166 0.000) 0.166 24.742 ( 0.000 0.327 0.000) 0.327 24.771 ( 0.000 -0.521 0.000) 0.521 26.246 ( 0.000 -1.249 0.000) 1.249 26.264 ( 0.000 -1.686 0.000) 1.686 26.270 ( 0.000 -1.761 0.000) 1.761 26.275 ( 0.000 -1.972 0.000) 1.972 28.992 ( 0.000 0.060 0.000) 0.060 29.030 ( 0.000 -0.800 0.000) 0.800 29.030 ( 0.000 0.080 0.000) 0.080 29.079 ( 0.000 -1.007 0.000) 1.007 50.491 ( 0.000 -2.754 0.000) 2.754 50.547 ( 0.000 -20.141 0.000) 20.141 50.774 ( 0.000 -14.801 0.000) 14.801 50.822 ( 0.000 -27.954 0.000) 27.954 51.492 ( 0.000 17.043 0.000) 17.043 52.024 ( 0.000 25.582 0.000) 25.582 52.251 ( 0.000 -8.633 0.000) 8.633 53.223 ( 0.000 -3.397 0.000) 3.397 54.540 ( 0.000 8.780 0.000) 8.780 54.595 ( 0.000 10.620 0.000) 10.620 55.350 ( 0.000 -11.797 0.000) 11.797 55.438 ( 0.000 -10.124 0.000) 10.124 60.659 ( 0.000 4.332 0.000) 4.332 60.832 ( 0.000 3.152 0.000) 3.152 60.877 ( 0.000 3.679 0.000) 3.679 60.935 ( 0.000 2.661 0.000) 2.661 61.241 ( 0.000 -2.305 0.000) 2.305 61.304 ( 0.000 -2.452 0.000) 2.452 61.375 ( 0.000 -2.137 0.000) 2.137 61.445 ( 0.000 -3.971 0.000) 3.971 64.092 ( 0.000 -0.292 0.000) 0.292 64.105 ( 0.000 -0.212 0.000) 0.212 64.110 ( 0.000 -0.136 0.000) 0.136 64.146 ( 0.000 -0.507 0.000) 0.507 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 2.691 15.621 0.000) 15.851 1.316 ( 17.536 15.297 0.000) 23.270 1.527 ( 5.100 -2.659 0.000) 5.752 1.840 ( 4.939 3.507 0.000) 6.058 1.857 ( -7.171 9.091 0.000) 11.579 2.032 ( -1.395 11.520 0.000) 11.605 2.201 ( -1.373 4.602 0.000) 4.803 2.317 ( -0.341 11.753 0.000) 11.757 2.349 ( -0.376 12.658 0.000) 12.663 2.406 ( -4.404 -0.596 0.000) 4.445 2.413 ( -1.454 13.137 0.000) 13.218 2.610 ( -3.628 0.484 0.000) 3.660 2.726 ( 2.722 1.216 0.000) 2.981 2.833 ( 4.368 -5.698 0.000) 7.180 2.849 ( -0.299 -4.433 0.000) 4.443 2.967 ( 0.495 -8.451 0.000) 8.465 3.416 ( 3.262 4.661 0.000) 5.689 3.839 ( 6.039 -3.111 0.000) 6.793 3.986 ( -6.607 5.105 0.000) 8.350 4.136 ( 0.054 5.180 0.000) 5.181 4.183 ( -5.490 -0.743 0.000) 5.540 4.236 ( -4.167 -3.500 0.000) 5.442 4.353 ( -1.464 0.159 0.000) 1.472 4.360 ( -3.211 3.070 0.000) 4.442 4.421 ( 0.396 -1.251 0.000) 1.313 4.574 ( -4.096 -5.180 0.000) 6.603 4.673 ( -2.045 -5.277 0.000) 5.659 4.716 ( -6.612 -7.626 0.000) 10.093 4.717 ( -0.909 -2.166 0.000) 2.349 4.867 ( -6.575 -2.274 0.000) 6.957 4.878 ( -3.981 -2.547 0.000) 4.726 5.031 ( -4.702 2.856 0.000) 5.502 5.119 ( 0.628 -7.433 0.000) 7.460 5.238 ( -4.044 -4.912 0.000) 6.362 5.421 ( -5.195 -1.985 0.000) 5.561 5.467 ( -4.939 -3.647 0.000) 6.139 5.516 ( 10.288 5.848 0.000) 11.834 5.537 ( 3.503 -4.017 0.000) 5.330 5.635 ( 2.399 4.512 0.000) 5.110 5.650 ( 8.237 -6.200 0.000) 10.309 5.936 ( 6.630 3.369 0.000) 7.437 5.964 ( 14.036 -3.921 0.000) 14.573 6.234 ( 11.198 -2.175 0.000) 11.407 6.248 ( -2.687 -9.705 0.000) 10.070 6.733 ( -1.313 5.037 0.000) 5.205 6.902 ( -2.736 -0.781 0.000) 2.846 6.933 ( -2.465 5.412 0.000) 5.947 6.959 ( -2.572 3.368 0.000) 4.238 7.887 ( 0.014 8.124 0.000) 8.124 7.893 ( -0.159 12.422 0.000) 12.423 8.007 ( 2.478 5.864 0.000) 6.366 8.253 ( -2.608 2.520 0.000) 3.626 12.926 ( -0.163 1.920 0.000) 1.927 12.942 ( -1.017 -0.673 0.000) 1.220 13.026 ( 2.587 -2.851 0.000) 3.849 13.141 ( -0.796 11.263 0.000) 11.291 13.144 ( -0.198 12.879 0.000) 12.880 13.194 ( 1.273 9.237 0.000) 9.325 13.211 ( -1.357 -4.182 0.000) 4.396 13.264 ( -0.416 9.312 0.000) 9.321 20.248 ( 0.655 1.700 0.000) 1.822 20.305 ( 0.187 0.320 0.000) 0.371 20.319 ( -0.407 0.912 0.000) 0.999 20.345 ( -1.332 0.488 0.000) 1.418 20.646 ( 0.330 -1.836 0.000) 1.866 20.673 ( 0.269 -2.474 0.000) 2.488 20.683 ( -0.466 -1.974 0.000) 2.029 20.698 ( -0.245 -2.203 0.000) 2.216 20.847 ( 0.152 0.204 0.000) 0.255 20.856 ( 0.041 0.486 0.000) 0.488 20.860 ( -0.006 0.165 0.000) 0.165 20.866 ( -0.188 0.098 0.000) 0.212 22.351 ( 0.516 -1.477 0.000) 1.564 22.380 ( -0.316 -2.145 0.000) 2.168 22.404 ( 0.559 -2.548 0.000) 2.609 22.438 ( -0.268 -3.095 0.000) 3.107 23.765 ( 0.232 0.199 0.000) 0.305 23.778 ( 0.268 -0.120 0.000) 0.293 23.789 ( -0.361 0.248 0.000) 0.438 23.800 ( -0.088 -0.028 0.000) 0.092 24.383 ( -0.107 0.770 0.000) 0.778 24.389 ( -0.466 0.065 0.000) 0.471 24.421 ( 0.757 -0.605 0.000) 0.969 24.450 ( -0.007 -0.960 0.000) 0.960 24.693 ( 0.368 0.636 0.000) 0.735 24.709 ( 0.288 0.249 0.000) 0.381 24.735 ( -0.585 0.363 0.000) 0.688 24.759 ( -0.903 -0.130 0.000) 0.912 26.247 ( 0.131 -1.289 0.000) 1.296 26.261 ( -0.210 -1.615 0.000) 1.629 26.271 ( 0.113 -1.824 0.000) 1.828 26.275 ( -0.018 -1.957 0.000) 1.957 28.996 ( 0.319 0.066 0.000) 0.326 29.026 ( -0.308 0.077 0.000) 0.318 29.037 ( 0.616 -0.945 0.000) 1.128 29.076 ( -0.284 -1.029 0.000) 1.068 50.537 ( -0.114 -16.439 0.000) 16.440 50.572 ( 6.438 -4.071 0.000) 7.617 50.759 ( -0.952 -13.989 0.000) 14.022 50.880 ( 4.082 -29.316 0.000) 29.599 51.554 ( 5.764 16.825 0.000) 17.784 51.962 ( -5.170 24.453 0.000) 24.994 52.186 ( -5.173 -8.578 0.000) 10.017 52.917 ( -23.968 2.055 0.000) 24.056 54.530 ( 0.068 8.613 0.000) 8.613 54.593 ( -0.257 10.442 0.000) 10.445 55.399 ( 2.414 -13.108 0.000) 13.328 55.429 ( -0.743 -10.563 0.000) 10.589 60.673 ( 1.337 4.064 0.000) 4.278 60.842 ( -1.925 3.082 0.000) 3.634 60.908 ( 4.367 2.496 0.000) 5.030 60.958 ( 1.841 2.760 0.000) 3.318 61.277 ( 3.199 -2.282 0.000) 3.929 61.347 ( 3.139 -3.298 0.000) 4.554 61.371 ( -0.055 -2.662 0.000) 2.663 61.457 ( 0.571 -3.444 0.000) 3.491 64.066 ( -1.103 0.738 0.000) 1.327 64.085 ( -1.199 0.547 0.000) 1.318 64.145 ( 1.881 -1.111 0.000) 2.185 64.169 ( 1.386 -1.181 0.000) 1.821 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 8.007 11.394 0.000) 13.926 1.609 ( -5.262 10.764 0.000) 11.982 1.659 ( 5.626 6.901 0.000) 8.904 1.677 ( 2.483 13.489 0.000) 13.716 1.950 ( 4.239 6.551 0.000) 7.803 1.999 ( -1.140 6.289 0.000) 6.392 2.225 ( 1.969 0.085 0.000) 1.971 2.291 ( -3.830 1.719 0.000) 4.198 2.334 ( 0.153 6.729 0.000) 6.730 2.357 ( 0.312 5.281 0.000) 5.290 2.365 ( 0.797 16.316 0.000) 16.336 2.495 ( -6.936 5.373 0.000) 8.774 2.788 ( 2.661 1.914 0.000) 3.278 2.833 ( -1.379 0.146 0.000) 1.387 2.920 ( 3.222 -9.131 0.000) 9.683 2.965 ( -0.918 -10.192 0.000) 10.233 3.554 ( 9.140 5.489 0.000) 10.662 3.787 ( -11.108 4.859 0.000) 12.124 3.979 ( 6.018 -1.174 0.000) 6.131 4.081 ( -4.185 -2.319 0.000) 4.784 4.084 ( -1.977 -1.273 0.000) 2.351 4.132 ( -4.848 3.835 0.000) 6.181 4.299 ( -1.122 0.644 0.000) 1.294 4.310 ( -1.862 0.286 0.000) 1.884 4.419 ( 0.366 -3.109 0.000) 3.130 4.467 ( -4.224 -4.198 0.000) 5.955 4.620 ( -0.820 -8.411 0.000) 8.451 4.628 ( -1.771 -9.427 0.000) 9.592 4.743 ( 0.905 4.602 0.000) 4.690 4.774 ( -2.154 2.989 0.000) 3.684 4.874 ( 3.175 -1.623 0.000) 3.566 4.950 ( -3.390 0.458 0.000) 3.421 5.110 ( -0.656 -5.306 0.000) 5.346 5.136 ( -3.654 -3.877 0.000) 5.327 5.377 ( -0.133 -5.629 0.000) 5.630 5.395 ( -1.867 -5.425 0.000) 5.738 5.587 ( 1.385 -1.488 0.000) 2.033 5.600 ( 0.262 2.276 0.000) 2.291 5.791 ( 7.839 3.554 0.000) 8.607 5.825 ( 5.748 -5.222 0.000) 7.766 6.037 ( 2.380 3.542 0.000) 4.267 6.120 ( -4.196 -5.059 0.000) 6.573 6.275 ( 8.928 -4.512 0.000) 10.004 6.384 ( 0.811 -2.413 0.000) 2.546 6.760 ( 4.208 3.697 0.000) 5.601 6.845 ( -1.302 -0.122 0.000) 1.308 6.860 ( -3.910 3.458 0.000) 5.220 6.883 ( -4.038 2.553 0.000) 4.777 7.887 ( 0.033 9.361 0.000) 9.361 7.889 ( -0.139 11.058 0.000) 11.058 8.082 ( 4.146 4.900 0.000) 6.419 8.176 ( -4.199 3.565 0.000) 5.509 12.923 ( -0.051 1.133 0.000) 1.134 12.927 ( -0.388 0.200 0.000) 0.436 13.087 ( 2.807 -2.673 0.000) 3.876 13.127 ( -0.671 9.244 0.000) 9.269 13.141 ( 0.069 11.373 0.000) 11.374 13.166 ( -2.219 -2.064 0.000) 3.030 13.225 ( 1.285 9.974 0.000) 10.057 13.249 ( -0.887 9.554 0.000) 9.595 20.269 ( 1.248 1.591 0.000) 2.023 20.300 ( -1.432 1.256 0.000) 1.904 20.311 ( 0.358 0.464 0.000) 0.586 20.321 ( -0.663 0.669 0.000) 0.942 20.656 ( 0.580 -1.866 0.000) 1.954 20.670 ( -0.658 -1.914 0.000) 2.024 20.681 ( 0.436 -2.406 0.000) 2.445 20.691 ( -0.426 -2.309 0.000) 2.348 20.852 ( 0.290 0.222 0.000) 0.365 20.857 ( -0.036 0.377 0.000) 0.379 20.860 ( -0.028 0.254 0.000) 0.255 20.861 ( -0.218 0.167 0.000) 0.275 22.363 ( 0.511 -1.864 0.000) 1.933 22.373 ( -0.354 -2.051 0.000) 2.081 22.417 ( 0.598 -2.737 0.000) 2.801 22.429 ( -0.483 -2.936 0.000) 2.975 23.771 ( 0.361 0.275 0.000) 0.454 23.780 ( -0.426 0.306 0.000) 0.524 23.786 ( 0.438 -0.066 0.000) 0.443 23.795 ( -0.339 -0.052 0.000) 0.343 24.381 ( -0.054 0.621 0.000) 0.623 24.382 ( -0.179 0.382 0.000) 0.422 24.437 ( 0.630 -0.896 0.000) 1.096 24.447 ( -0.303 -1.029 0.000) 1.072 24.703 ( 0.615 0.546 0.000) 0.823 24.719 ( -0.801 0.473 0.000) 0.930 24.720 ( 0.683 0.379 0.000) 0.781 24.738 ( -0.959 0.303 0.000) 1.006 26.251 ( 0.213 -1.391 0.000) 1.407 26.256 ( -0.233 -1.511 0.000) 1.529 26.273 ( 0.059 -1.880 0.000) 1.881 26.274 ( -0.031 -1.921 0.000) 1.921 29.005 ( 0.526 0.069 0.000) 0.530 29.017 ( -0.515 0.071 0.000) 0.520 29.053 ( 0.718 -1.088 0.000) 1.304 29.067 ( -0.542 -1.080 0.000) 1.208 50.566 ( 2.754 -11.782 0.000) 12.100 50.634 ( -2.379 -8.963 0.000) 9.273 50.827 ( 7.515 -14.876 0.000) 16.667 50.934 ( -0.674 -25.452 0.000) 25.461 51.722 ( 7.817 18.301 0.000) 19.901 51.840 ( -4.910 20.610 0.000) 21.187 52.110 ( 1.749 -5.547 0.000) 5.817 52.382 ( -21.531 3.624 0.000) 21.834 54.551 ( 1.497 8.874 0.000) 9.000 54.580 ( -0.997 9.793 0.000) 9.844 55.416 ( -0.266 -11.686 0.000) 11.689 55.418 ( -0.199 -12.937 0.000) 12.939 60.717 ( 2.613 3.719 0.000) 4.545 60.782 ( -3.165 3.515 0.000) 4.730 60.986 ( 2.056 1.770 0.000) 2.712 60.995 ( 1.033 2.430 0.000) 2.641 61.354 ( 2.872 -2.960 0.000) 4.125 61.377 ( 0.277 -3.229 0.000) 3.241 61.409 ( 2.306 -3.352 0.000) 4.069 61.452 ( -1.279 -2.938 0.000) 3.204 64.053 ( -0.024 1.321 0.000) 1.321 64.062 ( -0.776 1.229 0.000) 1.454 64.180 ( 1.147 -1.693 0.000) 2.045 64.189 ( 0.305 -1.706 0.000) 1.733 ======================= Grid point 20 (13/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 1.374 0.000) 1.374 1.439 ( 0.000 16.869 0.000) 16.869 1.677 ( 0.000 19.988 0.000) 19.988 1.716 ( 0.000 -8.472 0.000) 8.472 1.904 ( 0.000 -5.543 0.000) 5.543 2.270 ( 0.000 10.019 0.000) 10.019 2.338 ( 0.000 -9.240 0.000) 9.240 2.369 ( 0.000 3.988 0.000) 3.988 2.399 ( 0.000 -1.344 0.000) 1.344 2.498 ( 0.000 -6.437 0.000) 6.437 2.616 ( 0.000 7.286 0.000) 7.286 2.650 ( 0.000 7.715 0.000) 7.715 2.757 ( 0.000 -0.346 0.000) 0.346 2.819 ( 0.000 -5.752 0.000) 5.752 2.869 ( 0.000 8.402 0.000) 8.402 2.888 ( 0.000 9.068 0.000) 9.068 3.461 ( 0.000 3.996 0.000) 3.996 3.660 ( 0.000 -5.732 0.000) 5.732 4.122 ( 0.000 1.373 0.000) 1.373 4.197 ( 0.000 -2.591 0.000) 2.591 4.255 ( 0.000 6.273 0.000) 6.273 4.299 ( 0.000 2.543 0.000) 2.543 4.364 ( 0.000 -0.128 0.000) 0.128 4.438 ( 0.000 2.000 0.000) 2.000 4.479 ( 0.000 3.210 0.000) 3.210 4.510 ( 0.000 -4.483 0.000) 4.483 4.547 ( 0.000 -4.621 0.000) 4.621 4.683 ( 0.000 -6.731 0.000) 6.731 4.722 ( 0.000 -3.035 0.000) 3.035 4.784 ( 0.000 -6.631 0.000) 6.631 4.880 ( 0.000 -3.114 0.000) 3.114 4.943 ( 0.000 -6.134 0.000) 6.134 5.290 ( 0.000 6.581 0.000) 6.581 5.299 ( 0.000 -1.673 0.000) 1.673 5.398 ( 0.000 -0.978 0.000) 0.978 5.406 ( 0.000 5.329 0.000) 5.329 5.445 ( 0.000 -3.041 0.000) 3.041 5.498 ( 0.000 -2.129 0.000) 2.129 5.558 ( 0.000 -7.865 0.000) 7.865 5.568 ( 0.000 -2.518 0.000) 2.518 5.768 ( 0.000 7.848 0.000) 7.848 5.892 ( 0.000 4.076 0.000) 4.076 6.038 ( 0.000 -2.253 0.000) 2.253 6.092 ( 0.000 -9.116 0.000) 9.116 6.837 ( 0.000 3.249 0.000) 3.249 6.917 ( 0.000 -1.174 0.000) 1.174 7.050 ( 0.000 2.656 0.000) 2.656 7.053 ( 0.000 3.131 0.000) 3.131 8.016 ( 0.000 5.211 0.000) 5.211 8.067 ( 0.000 2.738 0.000) 2.738 8.111 ( 0.000 9.176 0.000) 9.176 8.298 ( 0.000 -0.706 0.000) 0.706 12.938 ( 0.000 -1.175 0.000) 1.175 12.945 ( 0.000 -1.607 0.000) 1.607 12.968 ( 0.000 2.375 0.000) 2.375 13.118 ( 0.000 -5.248 0.000) 5.248 13.341 ( 0.000 7.363 0.000) 7.363 13.353 ( 0.000 6.887 0.000) 6.887 13.365 ( 0.000 8.702 0.000) 8.702 13.422 ( 0.000 5.674 0.000) 5.674 20.272 ( 0.000 1.429 0.000) 1.429 20.304 ( 0.000 -0.188 0.000) 0.188 20.341 ( 0.000 0.815 0.000) 0.815 20.361 ( 0.000 -0.201 0.000) 0.201 20.613 ( 0.000 -1.070 0.000) 1.070 20.627 ( 0.000 -1.795 0.000) 1.795 20.656 ( 0.000 -1.190 0.000) 1.190 20.664 ( 0.000 -1.541 0.000) 1.541 20.850 ( 0.000 0.275 0.000) 0.275 20.860 ( 0.000 -0.132 0.000) 0.132 20.864 ( 0.000 0.313 0.000) 0.313 20.869 ( 0.000 0.012 0.000) 0.012 22.331 ( 0.000 -0.104 0.000) 0.104 22.350 ( 0.000 -1.293 0.000) 1.293 22.356 ( 0.000 -1.588 0.000) 1.588 22.383 ( 0.000 -2.622 0.000) 2.622 23.765 ( 0.000 0.165 0.000) 0.165 23.772 ( 0.000 -0.170 0.000) 0.170 23.797 ( 0.000 0.131 0.000) 0.131 23.800 ( 0.000 -0.026 0.000) 0.026 24.396 ( 0.000 0.012 0.000) 0.012 24.400 ( 0.000 0.851 0.000) 0.851 24.403 ( 0.000 -0.285 0.000) 0.285 24.433 ( 0.000 -0.849 0.000) 0.849 24.699 ( 0.000 0.426 0.000) 0.426 24.708 ( 0.000 -0.033 0.000) 0.033 24.748 ( 0.000 0.294 0.000) 0.294 24.761 ( 0.000 -0.437 0.000) 0.437 26.227 ( 0.000 -0.622 0.000) 0.622 26.237 ( 0.000 -1.018 0.000) 1.018 26.240 ( 0.000 -1.167 0.000) 1.167 26.242 ( 0.000 -1.382 0.000) 1.382 28.995 ( 0.000 0.261 0.000) 0.261 29.015 ( 0.000 -0.712 0.000) 0.712 29.034 ( 0.000 0.353 0.000) 0.353 29.060 ( 0.000 -0.926 0.000) 0.926 50.233 ( 0.000 -10.895 0.000) 10.895 50.368 ( 0.000 -17.851 0.000) 17.851 50.374 ( 0.000 -6.549 0.000) 6.549 50.475 ( 0.000 -13.005 0.000) 13.005 51.846 ( 0.000 16.561 0.000) 16.561 52.175 ( 0.000 -1.988 0.000) 1.988 52.497 ( 0.000 22.231 0.000) 22.231 53.103 ( 0.000 -9.052 0.000) 9.052 54.724 ( 0.000 9.986 0.000) 9.986 54.816 ( 0.000 11.760 0.000) 11.760 55.129 ( 0.000 -10.991 0.000) 10.991 55.243 ( 0.000 -10.127 0.000) 10.127 60.804 ( 0.000 10.240 0.000) 10.240 60.915 ( 0.000 5.283 0.000) 5.283 60.962 ( 0.000 4.940 0.000) 4.940 61.011 ( 0.000 5.459 0.000) 5.459 61.170 ( 0.000 -4.782 0.000) 4.782 61.222 ( 0.000 -5.571 0.000) 5.571 61.259 ( 0.000 -9.383 0.000) 9.383 61.321 ( 0.000 -8.216 0.000) 8.216 64.091 ( 0.000 0.163 0.000) 0.163 64.105 ( 0.000 -0.361 0.000) 0.361 64.107 ( 0.000 0.443 0.000) 0.443 64.134 ( 0.000 -0.690 0.000) 0.690 ======================= Grid point 21 (14/54) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 4.404 4.375 0.000) 6.208 1.604 ( 13.207 13.812 0.000) 19.110 1.747 ( 5.381 16.735 0.000) 17.579 1.787 ( 6.467 -7.397 0.000) 9.825 1.935 ( 0.883 -1.309 0.000) 1.578 2.220 ( -5.547 9.185 0.000) 10.730 2.283 ( -4.007 4.753 0.000) 6.216 2.334 ( -1.168 -5.607 0.000) 5.728 2.377 ( -1.085 -1.179 0.000) 1.602 2.472 ( -7.877 0.079 0.000) 7.877 2.524 ( 2.071 -7.515 0.000) 7.795 2.658 ( -3.562 4.444 0.000) 5.695 2.770 ( 3.310 -0.992 0.000) 3.455 2.847 ( -1.290 8.885 0.000) 8.978 2.873 ( 1.979 0.527 0.000) 2.048 2.907 ( 0.790 6.839 0.000) 6.885 3.510 ( 4.655 5.211 0.000) 6.987 3.746 ( 6.462 -6.055 0.000) 8.855 4.060 ( -5.925 2.630 0.000) 6.482 4.154 ( -5.560 -2.886 0.000) 6.264 4.215 ( -5.664 3.522 0.000) 6.670 4.247 ( 0.738 4.760 0.000) 4.817 4.343 ( -2.193 -1.279 0.000) 2.539 4.400 ( -1.884 -0.592 0.000) 1.975 4.416 ( -5.569 2.732 0.000) 6.203 4.475 ( -2.451 -5.425 0.000) 5.953 4.533 ( -3.647 -7.280 0.000) 8.143 4.568 ( -8.098 -6.139 0.000) 10.162 4.725 ( 4.735 2.015 0.000) 5.146 4.832 ( 1.040 -2.642 0.000) 2.840 4.846 ( -1.235 0.211 0.000) 1.253 4.979 ( 1.170 -6.215 0.000) 6.324 5.120 ( -6.914 5.136 0.000) 8.613 5.180 ( -5.651 -0.446 0.000) 5.668 5.341 ( -6.601 -6.145 0.000) 9.018 5.357 ( -6.424 -6.626 0.000) 9.229 5.495 ( 3.862 -0.153 0.000) 3.865 5.558 ( 6.707 -3.381 0.000) 7.511 5.642 ( 11.350 6.539 0.000) 13.099 5.745 ( -0.216 5.834 0.000) 5.838 5.884 ( 14.548 -3.796 0.000) 15.035 6.017 ( 8.155 4.740 0.000) 9.432 6.067 ( -1.870 -8.736 0.000) 8.934 6.184 ( 9.928 -3.176 0.000) 10.424 6.812 ( -1.592 3.141 0.000) 3.522 6.885 ( -2.557 -1.042 0.000) 2.762 7.009 ( -3.468 2.791 0.000) 4.452 7.024 ( -2.896 2.470 0.000) 3.806 8.023 ( 0.693 5.608 0.000) 5.651 8.090 ( 1.955 2.417 0.000) 3.109 8.101 ( -0.904 8.816 0.000) 8.862 8.276 ( -1.991 -0.381 0.000) 2.027 12.929 ( -0.203 -0.337 0.000) 0.394 12.961 ( -0.605 2.141 0.000) 2.225 12.971 ( 1.674 -2.499 0.000) 3.008 13.102 ( -1.376 -5.046 0.000) 5.230 13.338 ( -0.019 7.837 0.000) 7.837 13.361 ( -0.314 8.688 0.000) 8.694 13.367 ( 0.947 6.432 0.000) 6.501 13.418 ( -0.329 5.690 0.000) 5.699 20.278 ( 0.562 1.359 0.000) 1.470 20.307 ( 0.293 -0.119 0.000) 0.316 20.336 ( -0.455 0.743 0.000) 0.871 20.350 ( -0.873 0.039 0.000) 0.874 20.616 ( 0.319 -1.072 0.000) 1.118 20.630 ( 0.305 -1.781 0.000) 1.807 20.651 ( -0.421 -1.163 0.000) 1.237 20.660 ( -0.319 -1.582 0.000) 1.614 20.852 ( 0.161 0.270 0.000) 0.315 20.861 ( 0.062 -0.093 0.000) 0.112 20.864 ( -0.021 0.273 0.000) 0.274 20.867 ( -0.147 0.043 0.000) 0.153 22.334 ( 0.208 -0.255 0.000) 0.329 22.347 ( -0.166 -1.122 0.000) 1.134 22.361 ( 0.361 -1.776 0.000) 1.812 22.381 ( -0.146 -2.542 0.000) 2.546 23.768 ( 0.273 0.186 0.000) 0.330 23.775 ( 0.310 -0.159 0.000) 0.348 23.793 ( -0.288 0.198 0.000) 0.349 23.799 ( -0.134 -0.081 0.000) 0.157 24.392 ( -0.153 0.289 0.000) 0.327 24.398 ( -0.168 0.840 0.000) 0.856 24.410 ( 0.449 -0.562 0.000) 0.720 24.432 ( -0.101 -0.904 0.000) 0.910 24.703 ( 0.325 0.421 0.000) 0.532 24.712 ( 0.362 -0.014 0.000) 0.362 24.742 ( -0.517 0.328 0.000) 0.613 24.755 ( -0.568 -0.312 0.000) 0.648 26.228 ( 0.070 -0.653 0.000) 0.657 26.235 ( -0.118 -0.947 0.000) 0.954 26.241 ( 0.047 -1.225 0.000) 1.225 26.242 ( 0.004 -1.370 0.000) 1.370 28.999 ( 0.339 0.283 0.000) 0.441 29.020 ( 0.473 -0.786 0.000) 0.917 29.030 ( -0.312 0.352 0.000) 0.470 29.056 ( -0.308 -0.934 0.000) 0.983 50.259 ( 2.370 -10.172 0.000) 10.445 50.407 ( 3.273 -18.389 0.000) 18.678 50.419 ( 3.238 -8.411 0.000) 9.013 50.474 ( -0.087 -12.290 0.000) 12.290 51.893 ( 4.742 15.231 0.000) 15.952 52.140 ( -2.358 0.401 0.000) 2.392 52.410 ( -7.407 20.648 0.000) 21.937 52.902 ( -16.685 -4.280 0.000) 17.226 54.718 ( 0.105 10.505 0.000) 10.505 54.808 ( -0.758 11.380 0.000) 11.405 55.155 ( 1.532 -12.013 0.000) 12.111 55.228 ( -1.295 -10.274 0.000) 10.355 60.811 ( 0.752 9.769 0.000) 9.798 60.929 ( -0.595 5.832 0.000) 5.863 60.982 ( 2.782 4.970 0.000) 5.696 61.035 ( 1.777 5.514 0.000) 5.793 61.199 ( 2.536 -5.505 0.000) 6.061 61.244 ( 1.792 -6.781 0.000) 7.014 61.249 ( -0.370 -9.424 0.000) 9.431 61.340 ( 1.048 -8.030 0.000) 8.098 64.082 ( -0.304 0.955 0.000) 1.003 64.100 ( -0.466 1.001 0.000) 1.104 64.123 ( 1.153 -1.103 0.000) 1.596 64.146 ( 0.740 -1.221 0.000) 1.428 ======================= Grid point 22 (15/54) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 9.839 7.960 0.000) 12.656 1.804 ( -8.553 8.816 0.000) 12.282 1.878 ( 5.826 9.567 0.000) 11.201 1.899 ( 6.141 8.121 0.000) 10.182 1.969 ( 9.238 -1.874 0.000) 9.426 2.120 ( -3.246 3.732 0.000) 4.946 2.217 ( -3.975 5.230 0.000) 6.569 2.261 ( -4.993 2.564 0.000) 5.613 2.348 ( -0.624 -5.390 0.000) 5.426 2.369 ( -0.599 -3.699 0.000) 3.747 2.570 ( 1.732 -5.587 0.000) 5.849 2.600 ( -1.629 0.167 0.000) 1.637 2.816 ( 0.788 0.342 0.000) 0.859 2.824 ( -0.594 5.820 0.000) 5.850 2.894 ( 0.585 3.718 0.000) 3.764 2.910 ( -0.535 4.747 0.000) 4.777 3.652 ( 8.168 5.020 0.000) 9.587 3.864 ( -10.742 3.355 0.000) 11.254 3.877 ( 4.925 -6.487 0.000) 8.145 4.001 ( -7.140 -4.193 0.000) 8.280 4.155 ( 1.502 5.245 0.000) 5.456 4.238 ( -3.607 5.145 0.000) 6.284 4.299 ( -0.451 -1.440 0.000) 1.509 4.315 ( -1.533 1.105 0.000) 1.890 4.368 ( -1.003 -1.587 0.000) 1.877 4.392 ( -4.153 -3.180 0.000) 5.230 4.456 ( -1.458 -7.615 0.000) 7.753 4.466 ( -2.001 -6.749 0.000) 7.040 4.827 ( 1.630 3.546 0.000) 3.902 4.836 ( 0.002 3.051 0.000) 3.051 4.864 ( 4.239 0.195 0.000) 4.243 4.959 ( -3.368 -1.526 0.000) 3.697 5.038 ( -0.427 0.227 0.000) 0.483 5.077 ( -3.693 -1.303 0.000) 3.916 5.248 ( -1.473 -7.322 0.000) 7.468 5.263 ( -2.556 -7.595 0.000) 8.013 5.590 ( 4.266 1.507 0.000) 4.524 5.672 ( -3.171 4.668 0.000) 5.643 5.720 ( 7.563 -5.027 0.000) 9.081 5.832 ( -0.087 -0.678 0.000) 0.683 6.050 ( 3.963 -0.466 0.000) 3.990 6.127 ( 0.211 5.330 0.000) 5.334 6.190 ( 11.019 -4.512 0.000) 11.907 6.322 ( 0.364 -3.994 0.000) 4.010 6.819 ( 3.133 2.159 0.000) 3.805 6.847 ( 0.444 0.173 0.000) 0.477 6.912 ( -4.871 2.151 0.000) 5.325 6.930 ( -5.350 1.658 0.000) 5.601 8.045 ( 1.272 6.627 0.000) 6.748 8.075 ( -1.376 7.852 0.000) 7.972 8.147 ( 3.128 1.558 0.000) 3.494 8.218 ( -3.171 0.482 0.000) 3.208 12.931 ( 0.427 0.634 0.000) 0.765 12.945 ( -0.770 1.509 0.000) 1.694 13.014 ( 2.200 -3.568 0.000) 4.191 13.062 ( -2.165 -4.465 0.000) 4.962 13.342 ( 0.367 8.319 0.000) 8.327 13.352 ( -0.474 8.593 0.000) 8.606 13.389 ( 0.970 6.001 0.000) 6.079 13.407 ( -0.693 5.773 0.000) 5.814 20.295 ( 1.020 1.140 0.000) 1.530 20.316 ( 0.536 0.066 0.000) 0.540 20.319 ( -1.053 0.799 0.000) 1.322 20.330 ( -0.785 0.260 0.000) 0.827 20.626 ( 0.554 -1.084 0.000) 1.217 20.639 ( -0.614 -1.115 0.000) 1.273 20.639 ( 0.502 -1.737 0.000) 1.808 20.651 ( -0.512 -1.665 0.000) 1.742 20.857 ( 0.260 0.227 0.000) 0.345 20.862 ( -0.198 0.175 0.000) 0.265 20.862 ( 0.070 0.013 0.000) 0.071 20.864 ( -0.098 0.113 0.000) 0.149 22.339 ( 0.234 -0.566 0.000) 0.612 22.343 ( -0.171 -0.863 0.000) 0.880 22.369 ( 0.379 -2.062 0.000) 2.096 22.377 ( -0.286 -2.335 0.000) 2.352 23.776 ( 0.416 0.237 0.000) 0.479 23.784 ( 0.454 -0.148 0.000) 0.478 23.785 ( -0.409 0.256 0.000) 0.483 23.793 ( -0.361 -0.133 0.000) 0.385 24.391 ( 0.057 0.591 0.000) 0.593 24.394 ( -0.196 0.771 0.000) 0.795 24.420 ( 0.440 -0.846 0.000) 0.953 24.428 ( -0.287 -0.954 0.000) 0.997 24.713 ( 0.589 0.427 0.000) 0.727 24.723 ( 0.674 -0.023 0.000) 0.675 24.728 ( -0.723 0.404 0.000) 0.828 24.739 ( -0.778 -0.124 0.000) 0.788 26.230 ( 0.115 -0.733 0.000) 0.742 26.232 ( -0.131 -0.837 0.000) 0.847 26.242 ( 0.015 -1.292 0.000) 1.292 26.242 ( 0.002 -1.339 0.000) 1.339 29.009 ( 0.541 0.321 0.000) 0.629 29.021 ( -0.522 0.345 0.000) 0.626 29.033 ( 0.652 -0.897 0.000) 1.109 29.047 ( -0.555 -0.940 0.000) 1.092 50.333 ( 4.161 -9.325 0.000) 10.211 50.418 ( -3.032 -9.683 0.000) 10.146 50.485 ( 3.092 -18.175 0.000) 18.436 50.506 ( 1.488 -14.559 0.000) 14.635 52.053 ( 7.944 13.300 0.000) 15.492 52.154 ( 7.268 5.392 0.000) 9.050 52.218 ( -8.872 16.662 0.000) 18.877 52.482 ( -19.467 3.334 0.000) 19.750 54.741 ( 1.790 10.518 0.000) 10.670 54.782 ( -1.665 10.712 0.000) 10.840 55.177 ( 0.662 -11.920 0.000) 11.938 55.197 ( -1.270 -10.881 0.000) 10.955 60.841 ( 1.981 8.851 0.000) 9.070 60.891 ( -2.346 7.611 0.000) 7.964 61.045 ( 2.147 4.509 0.000) 4.994 61.064 ( 0.423 5.004 0.000) 5.021 61.248 ( 1.153 -7.965 0.000) 8.048 61.252 ( 0.417 -9.211 0.000) 9.221 61.297 ( 2.910 -7.121 0.000) 7.692 61.344 ( -0.985 -7.461 0.000) 7.526 64.082 ( 0.241 1.587 0.000) 1.605 64.090 ( -0.437 1.579 0.000) 1.639 64.147 ( 0.853 -1.695 0.000) 1.898 64.156 ( 0.063 -1.735 0.000) 1.736 ======================= Grid point 25 (16/54) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 -10.731 0.000) 10.731 1.501 ( 0.000 10.731 0.000) 10.731 1.726 ( 0.000 -12.372 0.000) 12.372 1.726 ( 0.000 12.372 0.000) 12.372 2.054 ( 0.000 -17.824 0.000) 17.824 2.054 ( 0.000 17.824 0.000) 17.824 2.402 ( 0.000 -2.118 0.000) 2.118 2.402 ( 0.000 2.118 0.000) 2.118 2.421 ( 0.000 -2.637 0.000) 2.637 2.421 ( 0.000 2.637 0.000) 2.637 2.651 ( 0.000 -2.487 0.000) 2.487 2.651 ( 0.000 2.487 0.000) 2.487 2.802 ( 0.000 -0.122 0.000) 0.122 2.802 ( 0.000 0.122 0.000) 0.122 2.970 ( 0.000 -0.844 0.000) 0.844 2.970 ( 0.000 0.844 0.000) 0.844 3.550 ( 0.000 -5.276 0.000) 5.276 3.550 ( 0.000 5.276 0.000) 5.276 4.149 ( 0.000 -1.801 0.000) 1.801 4.149 ( 0.000 1.801 0.000) 1.801 4.348 ( 0.000 -1.955 0.000) 1.955 4.348 ( 0.000 1.955 0.000) 1.955 4.388 ( 0.000 -6.556 0.000) 6.556 4.388 ( 0.000 6.556 0.000) 6.556 4.478 ( 0.000 -2.407 0.000) 2.407 4.478 ( 0.000 2.407 0.000) 2.407 4.571 ( 0.000 -4.879 0.000) 4.879 4.571 ( 0.000 4.879 0.000) 4.879 4.703 ( 0.000 -1.471 0.000) 1.471 4.703 ( 0.000 1.471 0.000) 1.471 4.864 ( 0.000 -1.673 0.000) 1.673 4.864 ( 0.000 1.673 0.000) 1.673 5.319 ( 0.000 -3.544 0.000) 3.544 5.319 ( 0.000 3.544 0.000) 3.544 5.416 ( 0.000 -6.667 0.000) 6.667 5.416 ( 0.000 6.667 0.000) 6.667 5.461 ( 0.000 -1.783 0.000) 1.783 5.461 ( 0.000 1.783 0.000) 1.783 5.502 ( 0.000 -4.239 0.000) 4.239 5.502 ( 0.000 4.239 0.000) 4.239 5.924 ( 0.000 -8.234 0.000) 8.234 5.924 ( 0.000 8.234 0.000) 8.234 5.975 ( 0.000 -4.033 0.000) 4.033 5.975 ( 0.000 4.033 0.000) 4.033 6.887 ( 0.000 -2.006 0.000) 2.006 6.887 ( 0.000 2.006 0.000) 2.006 7.080 ( 0.000 -0.255 0.000) 0.255 7.080 ( 0.000 0.255 0.000) 0.255 8.081 ( 0.000 -1.380 0.000) 1.380 8.081 ( 0.000 1.380 0.000) 1.380 8.247 ( 0.000 -4.769 0.000) 4.769 8.247 ( 0.000 4.769 0.000) 4.769 12.927 ( 0.000 -0.164 0.000) 0.164 12.927 ( 0.000 0.164 0.000) 0.164 13.028 ( 0.000 -3.892 0.000) 3.892 13.028 ( 0.000 3.892 0.000) 3.892 13.419 ( 0.000 -0.346 0.000) 0.346 13.419 ( 0.000 0.346 0.000) 0.346 13.466 ( 0.000 -1.457 0.000) 1.457 13.466 ( 0.000 1.457 0.000) 1.457 20.294 ( 0.000 -0.837 0.000) 0.837 20.294 ( 0.000 0.837 0.000) 0.837 20.354 ( 0.000 -0.525 0.000) 0.525 20.354 ( 0.000 0.525 0.000) 0.525 20.605 ( 0.000 -0.369 0.000) 0.369 20.605 ( 0.000 0.369 0.000) 0.369 20.646 ( 0.000 -0.226 0.000) 0.226 20.646 ( 0.000 0.226 0.000) 0.226 20.856 ( 0.000 -0.286 0.000) 0.286 20.856 ( 0.000 0.286 0.000) 0.286 20.868 ( 0.000 -0.120 0.000) 0.120 20.868 ( 0.000 0.120 0.000) 0.120 22.338 ( 0.000 -0.152 0.000) 0.152 22.338 ( 0.000 0.152 0.000) 0.152 22.343 ( 0.000 -1.366 0.000) 1.366 22.343 ( 0.000 1.366 0.000) 1.366 23.768 ( 0.000 -0.159 0.000) 0.159 23.768 ( 0.000 0.159 0.000) 0.159 23.799 ( 0.000 -0.063 0.000) 0.063 23.799 ( 0.000 0.063 0.000) 0.063 24.398 ( 0.000 -0.221 0.000) 0.221 24.398 ( 0.000 0.221 0.000) 0.221 24.417 ( 0.000 -0.842 0.000) 0.842 24.417 ( 0.000 0.842 0.000) 0.842 24.705 ( 0.000 -0.206 0.000) 0.206 24.705 ( 0.000 0.206 0.000) 0.206 24.754 ( 0.000 -0.339 0.000) 0.339 24.754 ( 0.000 0.339 0.000) 0.339 26.224 ( 0.000 -0.382 0.000) 0.382 26.224 ( 0.000 0.382 0.000) 0.382 26.227 ( 0.000 -0.092 0.000) 0.092 26.227 ( 0.000 0.092 0.000) 0.092 29.003 ( 0.000 -0.505 0.000) 0.505 29.003 ( 0.000 0.505 0.000) 0.505 29.044 ( 0.000 -0.672 0.000) 0.672 29.044 ( 0.000 0.672 0.000) 0.672 50.157 ( 0.000 -3.454 0.000) 3.454 50.157 ( 0.000 3.454 0.000) 3.454 50.322 ( 0.000 -2.319 0.000) 2.319 50.322 ( 0.000 2.319 0.000) 2.319 52.089 ( 0.000 -8.116 0.000) 8.116 52.089 ( 0.000 8.116 0.000) 8.116 52.866 ( 0.000 -15.589 0.000) 15.589 52.866 ( 0.000 15.589 0.000) 15.589 54.922 ( 0.000 -10.374 0.000) 10.374 54.922 ( 0.000 10.374 0.000) 10.374 55.039 ( 0.000 -11.026 0.000) 11.026 55.039 ( 0.000 11.026 0.000) 11.026 61.016 ( 0.000 -3.154 0.000) 3.154 61.016 ( 0.000 3.154 0.000) 3.154 61.031 ( 0.000 -11.932 0.000) 11.932 61.031 ( 0.000 11.932 0.000) 11.932 61.117 ( 0.000 -3.260 0.000) 3.260 61.117 ( 0.000 3.260 0.000) 3.260 61.155 ( 0.000 -7.817 0.000) 7.817 61.155 ( 0.000 7.817 0.000) 7.817 64.097 ( 0.000 -0.407 0.000) 0.407 64.097 ( 0.000 0.407 0.000) 0.407 64.120 ( 0.000 -0.751 0.000) 0.751 64.120 ( 0.000 0.751 0.000) 0.751 ======================= Grid point 27 (17/54) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 6.109 -10.986 0.000) 12.570 1.570 ( 6.109 10.986 0.000) 12.570 1.831 ( 8.088 -8.995 0.000) 12.097 1.831 ( 8.088 8.995 0.000) 12.097 2.095 ( 3.530 -16.414 0.000) 16.790 2.095 ( 3.530 16.414 0.000) 16.790 2.335 ( -6.414 -2.799 0.000) 6.998 2.335 ( -6.414 2.799 0.000) 6.998 2.418 ( -0.296 -3.922 0.000) 3.933 2.418 ( -0.296 3.922 0.000) 3.933 2.526 ( -6.600 -8.608 0.000) 10.847 2.526 ( -6.600 8.608 0.000) 10.847 2.868 ( 2.779 -3.282 0.000) 4.301 2.868 ( 2.779 3.282 0.000) 4.301 2.962 ( -0.808 -1.812 0.000) 1.984 2.962 ( -0.808 1.812 0.000) 1.984 3.622 ( 5.690 -6.286 0.000) 8.479 3.622 ( 5.690 6.286 0.000) 8.479 4.103 ( -5.081 -2.204 0.000) 5.538 4.103 ( -5.081 2.204 0.000) 5.538 4.293 ( -4.241 -3.797 0.000) 5.692 4.293 ( -4.241 3.797 0.000) 5.692 4.354 ( -2.175 -6.072 0.000) 6.450 4.354 ( -2.175 6.072 0.000) 6.450 4.424 ( -2.726 -3.478 0.000) 4.419 4.424 ( -2.726 3.478 0.000) 4.419 4.480 ( -6.548 -3.567 0.000) 7.457 4.480 ( -6.548 3.567 0.000) 7.457 4.776 ( 4.694 -2.961 0.000) 5.550 4.776 ( 4.694 2.961 0.000) 5.550 4.882 ( 1.074 -3.540 0.000) 3.699 4.882 ( 1.074 3.540 0.000) 3.699 5.226 ( -6.386 -4.780 0.000) 7.977 5.226 ( -6.386 4.780 0.000) 7.977 5.230 ( -7.328 -6.225 0.000) 9.615 5.230 ( -7.328 6.225 0.000) 9.615 5.511 ( 4.593 -1.578 0.000) 4.856 5.511 ( 4.593 1.578 0.000) 4.856 5.756 ( 10.860 -4.813 0.000) 11.879 5.756 ( 10.860 4.813 0.000) 11.879 5.913 ( 0.956 -6.822 0.000) 6.889 5.913 ( 0.956 6.822 0.000) 6.889 6.109 ( 9.034 -4.512 0.000) 10.098 6.109 ( 9.034 4.512 0.000) 10.098 6.859 ( -2.066 -1.778 0.000) 2.726 6.859 ( -2.066 1.778 0.000) 2.726 7.042 ( -3.418 -0.499 0.000) 3.454 7.042 ( -3.418 0.499 0.000) 3.454 8.096 ( 1.357 -1.775 0.000) 2.234 8.096 ( 1.357 1.775 0.000) 2.234 8.230 ( -1.461 -4.469 0.000) 4.702 8.230 ( -1.461 4.469 0.000) 4.702 12.935 ( 0.714 -1.090 0.000) 1.303 12.935 ( 0.714 1.090 0.000) 1.303 13.017 ( -1.003 -3.669 0.000) 3.804 13.017 ( -1.003 3.669 0.000) 3.804 13.425 ( 0.471 -0.766 0.000) 0.900 13.425 ( 0.471 0.766 0.000) 0.900 13.462 ( -0.321 -1.466 0.000) 1.501 13.462 ( -0.321 1.466 0.000) 1.501 20.299 ( 0.424 -0.757 0.000) 0.868 20.299 ( 0.424 0.757 0.000) 0.868 20.347 ( -0.602 -0.390 0.000) 0.717 20.347 ( -0.602 0.390 0.000) 0.717 20.609 ( 0.317 -0.369 0.000) 0.487 20.609 ( 0.317 0.369 0.000) 0.487 20.641 ( -0.376 -0.258 0.000) 0.456 20.641 ( -0.376 0.258 0.000) 0.456 20.857 ( 0.125 -0.257 0.000) 0.286 20.857 ( 0.125 0.257 0.000) 0.286 20.867 ( -0.088 -0.081 0.000) 0.120 20.867 ( -0.088 0.081 0.000) 0.120 22.339 ( 0.091 -0.378 0.000) 0.389 22.339 ( 0.091 0.378 0.000) 0.389 22.344 ( 0.007 -1.265 0.000) 1.265 22.344 ( 0.007 1.265 0.000) 1.265 23.772 ( 0.304 -0.172 0.000) 0.349 23.772 ( 0.304 0.172 0.000) 0.349 23.796 ( -0.207 -0.139 0.000) 0.250 23.796 ( -0.207 0.139 0.000) 0.250 24.400 ( 0.149 -0.474 0.000) 0.497 24.400 ( 0.149 0.474 0.000) 0.497 24.415 ( -0.160 -0.872 0.000) 0.886 24.415 ( -0.160 0.872 0.000) 0.886 24.709 ( 0.347 -0.225 0.000) 0.414 24.709 ( 0.347 0.225 0.000) 0.414 24.748 ( -0.484 -0.333 0.000) 0.588 24.748 ( -0.484 0.333 0.000) 0.588 26.224 ( 0.028 -0.364 0.000) 0.365 26.224 ( 0.028 0.364 0.000) 0.365 26.227 ( -0.029 -0.154 0.000) 0.156 26.227 ( -0.029 0.154 0.000) 0.156 29.007 ( 0.388 -0.547 0.000) 0.671 29.007 ( 0.388 0.547 0.000) 0.671 29.040 ( -0.313 -0.673 0.000) 0.743 29.040 ( -0.313 0.673 0.000) 0.743 50.190 ( 2.884 -3.687 0.000) 4.681 50.190 ( 2.884 3.687 0.000) 4.681 50.338 ( 1.022 -1.185 0.000) 1.565 50.338 ( 1.022 1.185 0.000) 1.565 52.100 ( 1.719 -5.862 0.000) 6.109 52.100 ( 1.719 5.862 0.000) 6.109 52.738 ( -10.886 -12.781 0.000) 16.788 52.738 ( -10.886 12.781 0.000) 16.788 54.930 ( 0.704 -11.260 0.000) 11.282 54.930 ( 0.704 11.260 0.000) 11.282 55.024 ( -1.269 -10.781 0.000) 10.856 55.024 ( -1.269 10.781 0.000) 10.856 61.030 ( 0.163 -12.030 0.000) 12.031 61.030 ( 0.163 12.030 0.000) 12.031 61.052 ( 2.385 -4.497 0.000) 5.090 61.052 ( 2.385 4.497 0.000) 5.090 61.117 ( 0.387 -3.977 0.000) 3.995 61.117 ( 0.387 3.977 0.000) 3.995 61.174 ( 1.313 -8.295 0.000) 8.398 61.174 ( 1.313 8.295 0.000) 8.398 64.102 ( 0.443 -1.077 0.000) 1.164 64.102 ( 0.443 1.077 0.000) 1.164 64.122 ( 0.147 -1.216 0.000) 1.225 64.122 ( 0.147 1.216 0.000) 1.225 ======================= Grid point 29 (18/54) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 9.851 -10.267 0.000) 14.228 1.750 ( 9.851 10.267 0.000) 14.228 1.934 ( -3.290 -3.931 0.000) 5.126 1.934 ( -3.290 3.931 0.000) 5.126 2.181 ( 3.335 -11.800 0.000) 12.262 2.181 ( 3.335 11.800 0.000) 12.262 2.208 ( -1.462 -7.228 0.000) 7.375 2.208 ( -1.462 7.228 0.000) 7.375 2.406 ( -0.673 -7.839 0.000) 7.868 2.406 ( -0.673 7.839 0.000) 7.868 2.424 ( -2.923 -12.339 0.000) 12.681 2.424 ( -2.923 12.339 0.000) 12.681 2.906 ( 1.234 -3.183 0.000) 3.414 2.906 ( 1.234 3.183 0.000) 3.414 2.936 ( -1.461 -2.792 0.000) 3.151 2.936 ( -1.461 2.792 0.000) 3.151 3.756 ( 6.431 -5.792 0.000) 8.655 3.756 ( 6.431 5.792 0.000) 8.655 3.927 ( -9.293 -3.388 0.000) 9.891 3.927 ( -9.293 3.388 0.000) 9.891 4.248 ( 1.371 -3.954 0.000) 4.185 4.248 ( 1.371 3.954 0.000) 4.185 4.331 ( -2.490 -4.279 0.000) 4.951 4.331 ( -2.490 4.279 0.000) 4.951 4.347 ( -2.655 -2.067 0.000) 3.365 4.347 ( -2.655 2.067 0.000) 3.365 4.374 ( -2.056 -2.482 0.000) 3.223 4.374 ( -2.056 2.482 0.000) 3.223 4.865 ( 3.020 -0.561 0.000) 3.071 4.865 ( 3.020 0.561 0.000) 3.071 4.896 ( -0.019 -3.391 0.000) 3.391 4.896 ( -0.019 3.391 0.000) 3.391 5.117 ( -2.732 -5.282 0.000) 5.947 5.117 ( -2.732 5.282 0.000) 5.947 5.121 ( -2.837 -6.552 0.000) 7.140 5.121 ( -2.837 6.552 0.000) 7.140 5.638 ( 6.422 -3.372 0.000) 7.254 5.638 ( 6.422 3.372 0.000) 7.254 5.767 ( -4.904 -4.794 0.000) 6.858 5.767 ( -4.904 4.794 0.000) 6.858 6.101 ( 10.500 -4.376 0.000) 11.375 6.101 ( 10.500 4.376 0.000) 11.375 6.232 ( 0.003 -5.218 0.000) 5.218 6.232 ( 0.003 5.218 0.000) 5.218 6.845 ( 1.996 -0.583 0.000) 2.079 6.845 ( 1.996 0.583 0.000) 2.079 6.940 ( -5.501 -0.597 0.000) 5.533 6.940 ( -5.501 0.597 0.000) 5.533 8.136 ( 2.237 -2.664 0.000) 3.478 8.136 ( 2.237 2.664 0.000) 3.478 8.188 ( -2.300 -3.674 0.000) 4.335 8.188 ( -2.300 3.674 0.000) 4.335 12.958 ( 1.296 -2.134 0.000) 2.497 12.958 ( 1.296 2.134 0.000) 2.497 12.989 ( -1.473 -3.045 0.000) 3.383 12.989 ( -1.473 3.045 0.000) 3.383 13.438 ( 0.679 -1.213 0.000) 1.390 13.438 ( 0.679 1.213 0.000) 1.390 13.452 ( -0.589 -1.427 0.000) 1.544 13.452 ( -0.589 1.427 0.000) 1.544 20.312 ( 0.758 -0.533 0.000) 0.927 20.312 ( 0.758 0.533 0.000) 0.927 20.330 ( -0.867 -0.281 0.000) 0.911 20.330 ( -0.867 0.281 0.000) 0.911 20.618 ( 0.537 -0.358 0.000) 0.646 20.618 ( 0.537 0.358 0.000) 0.646 20.631 ( -0.573 -0.318 0.000) 0.655 20.631 ( -0.573 0.318 0.000) 0.655 20.861 ( 0.179 -0.169 0.000) 0.246 20.861 ( 0.179 0.169 0.000) 0.246 20.864 ( -0.157 -0.055 0.000) 0.166 20.864 ( -0.157 0.055 0.000) 0.166 22.342 ( 0.102 -0.700 0.000) 0.708 22.342 ( 0.102 0.700 0.000) 0.708 22.343 ( -0.042 -1.013 0.000) 1.014 22.343 ( -0.042 1.013 0.000) 1.014 23.780 ( 0.448 -0.200 0.000) 0.490 23.780 ( 0.448 0.200 0.000) 0.490 23.790 ( -0.388 -0.200 0.000) 0.437 23.790 ( -0.388 0.200 0.000) 0.437 24.404 ( 0.257 -0.757 0.000) 0.799 24.404 ( 0.257 0.757 0.000) 0.799 24.410 ( -0.265 -0.882 0.000) 0.921 24.410 ( -0.265 0.882 0.000) 0.921 24.720 ( 0.620 -0.278 0.000) 0.680 24.720 ( 0.620 0.278 0.000) 0.680 24.735 ( -0.704 -0.320 0.000) 0.773 24.735 ( -0.704 0.320 0.000) 0.773 26.225 ( 0.045 -0.315 0.000) 0.318 26.225 ( 0.045 0.315 0.000) 0.318 26.226 ( -0.045 -0.243 0.000) 0.247 26.226 ( -0.045 0.243 0.000) 0.247 29.018 ( 0.585 -0.622 0.000) 0.854 29.018 ( 0.585 0.622 0.000) 0.854 29.031 ( -0.539 -0.665 0.000) 0.856 29.031 ( -0.539 0.665 0.000) 0.856 50.270 ( 3.988 -3.676 0.000) 5.424 50.270 ( 3.988 3.676 0.000) 5.424 50.337 ( -1.613 -2.174 0.000) 2.707 50.337 ( -1.613 2.174 0.000) 2.707 52.202 ( 8.224 -1.944 0.000) 8.451 52.202 ( 8.224 1.944 0.000) 8.451 52.452 ( -13.729 -6.914 0.000) 15.371 52.452 ( -13.729 6.914 0.000) 15.371 54.953 ( 1.408 -11.232 0.000) 11.320 54.953 ( 1.408 11.232 0.000) 11.320 54.989 ( -1.799 -10.634 0.000) 10.785 54.989 ( -1.799 10.634 0.000) 10.785 61.043 ( 0.979 -11.295 0.000) 11.337 61.043 ( 0.979 11.295 0.000) 11.337 61.066 ( -0.814 -9.911 0.000) 9.945 61.066 ( -0.814 9.911 0.000) 9.945 61.158 ( 2.577 -6.825 0.000) 7.295 61.158 ( 2.577 6.825 0.000) 7.295 61.191 ( -0.198 -7.635 0.000) 7.638 61.191 ( -0.198 7.635 0.000) 7.638 64.114 ( 0.546 -1.681 0.000) 1.768 64.114 ( 0.546 1.681 0.000) 1.768 64.122 ( -0.172 -1.718 0.000) 1.727 64.122 ( -0.172 1.718 0.000) 1.727 ======================= Grid point 55 (19/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 0.000 18.909) 18.909 0.434 ( 0.000 0.000 20.020) 20.020 0.817 ( 0.000 0.000 36.638) 36.638 1.332 ( 0.000 0.000 -6.002) 6.002 1.443 ( 0.000 0.000 0.206) 0.206 1.484 ( 0.000 0.000 -10.305) 10.305 1.629 ( 0.000 0.000 -4.057) 4.057 1.714 ( 0.000 0.000 6.799) 6.799 2.114 ( 0.000 0.000 -0.305) 0.305 2.208 ( 0.000 0.000 1.211) 1.211 2.246 ( 0.000 0.000 11.647) 11.647 2.811 ( 0.000 0.000 -11.947) 11.947 2.919 ( 0.000 0.000 1.971) 1.971 3.009 ( 0.000 0.000 -8.969) 8.969 3.094 ( 0.000 0.000 -2.439) 2.439 3.113 ( 0.000 0.000 -8.822) 8.822 3.425 ( 0.000 0.000 2.253) 2.253 3.589 ( 0.000 0.000 -2.554) 2.554 3.868 ( 0.000 0.000 -0.642) 0.642 3.886 ( 0.000 0.000 -0.859) 0.859 4.133 ( 0.000 0.000 1.540) 1.540 4.216 ( 0.000 0.000 4.433) 4.433 4.377 ( 0.000 0.000 -3.734) 3.734 4.562 ( 0.000 0.000 -3.373) 3.373 4.592 ( 0.000 0.000 3.600) 3.600 4.690 ( 0.000 0.000 2.057) 2.057 4.800 ( 0.000 0.000 2.002) 2.002 4.811 ( 0.000 0.000 5.249) 5.249 4.862 ( 0.000 0.000 -0.559) 0.559 5.000 ( 0.000 0.000 -2.094) 2.094 5.161 ( 0.000 0.000 -7.394) 7.394 5.293 ( 0.000 0.000 -6.357) 6.357 5.424 ( 0.000 0.000 4.153) 4.153 5.456 ( 0.000 0.000 -0.135) 0.135 5.504 ( 0.000 0.000 1.615) 1.615 5.521 ( 0.000 0.000 -0.841) 0.841 5.578 ( 0.000 0.000 5.196) 5.196 5.621 ( 0.000 0.000 4.999) 4.999 5.699 ( 0.000 0.000 -2.427) 2.427 5.704 ( 0.000 0.000 -5.903) 5.903 5.860 ( 0.000 0.000 -1.955) 1.955 6.059 ( 0.000 0.000 8.791) 8.791 6.076 ( 0.000 0.000 -7.515) 7.515 6.337 ( 0.000 0.000 1.013) 1.013 6.645 ( 0.000 0.000 2.906) 2.906 6.857 ( 0.000 0.000 2.763) 2.763 6.904 ( 0.000 0.000 -2.715) 2.715 6.965 ( 0.000 0.000 0.087) 0.087 7.252 ( 0.000 0.000 3.051) 3.051 7.506 ( 0.000 0.000 -2.440) 2.440 7.710 ( 0.000 0.000 4.680) 4.680 8.107 ( 0.000 0.000 -4.008) 4.008 12.576 ( 0.000 0.000 0.101) 0.101 12.590 ( 0.000 0.000 -0.233) 0.233 12.693 ( 0.000 0.000 0.562) 0.562 12.740 ( 0.000 0.000 -0.480) 0.480 12.997 ( 0.000 0.000 0.753) 0.753 13.081 ( 0.000 0.000 -0.994) 0.994 13.236 ( 0.000 0.000 2.240) 2.240 13.418 ( 0.000 0.000 -1.820) 1.820 20.183 ( 0.000 0.000 1.003) 1.003 20.242 ( 0.000 0.000 0.428) 0.428 20.274 ( 0.000 0.000 -0.966) 0.966 20.283 ( 0.000 0.000 -0.473) 0.473 20.755 ( 0.000 0.000 -0.001) 0.001 20.765 ( 0.000 0.000 -0.298) 0.298 20.779 ( 0.000 0.000 0.280) 0.280 20.785 ( 0.000 0.000 0.070) 0.070 20.826 ( 0.000 0.000 0.117) 0.117 20.831 ( 0.000 0.000 -0.006) 0.006 20.848 ( 0.000 0.000 0.102) 0.102 20.861 ( 0.000 0.000 -0.185) 0.185 22.416 ( 0.000 0.000 0.668) 0.668 22.476 ( 0.000 0.000 -0.646) 0.646 22.503 ( 0.000 0.000 0.473) 0.473 22.553 ( 0.000 0.000 -0.583) 0.583 23.755 ( 0.000 0.000 -0.000) 0.000 23.759 ( 0.000 0.000 -0.087) 0.087 23.787 ( 0.000 0.000 0.196) 0.196 23.799 ( 0.000 0.000 -0.075) 0.075 24.362 ( 0.000 0.000 0.674) 0.674 24.412 ( 0.000 0.000 -0.450) 0.450 24.493 ( 0.000 0.000 0.697) 0.697 24.556 ( 0.000 0.000 -0.698) 0.698 24.653 ( 0.000 0.000 0.006) 0.006 24.658 ( 0.000 0.000 -0.125) 0.125 24.695 ( 0.000 0.000 0.354) 0.354 24.722 ( 0.000 0.000 -0.261) 0.261 26.335 ( 0.000 0.000 0.069) 0.069 26.340 ( 0.000 0.000 -0.039) 0.039 26.348 ( 0.000 0.000 0.070) 0.070 26.355 ( 0.000 0.000 -0.078) 0.078 29.005 ( 0.000 0.000 1.019) 1.019 29.058 ( 0.000 0.000 0.090) 0.090 29.059 ( 0.000 0.000 -0.113) 0.113 29.105 ( 0.000 0.000 -0.962) 0.962 49.947 ( 0.000 0.000 1.018) 1.018 50.083 ( 0.000 0.000 -1.765) 1.765 50.417 ( 0.000 0.000 4.948) 4.948 50.834 ( 0.000 0.000 -4.269) 4.269 51.626 ( 0.000 0.000 2.914) 2.914 51.980 ( 0.000 0.000 -6.538) 6.538 52.365 ( 0.000 0.000 10.001) 10.001 53.112 ( 0.000 0.000 -7.817) 7.817 54.454 ( 0.000 0.000 11.683) 11.683 55.656 ( 0.000 0.000 -15.913) 15.913 55.972 ( 0.000 0.000 3.518) 3.518 56.265 ( 0.000 0.000 -3.551) 3.551 60.726 ( 0.000 0.000 0.183) 0.183 60.741 ( 0.000 0.000 -0.139) 0.139 60.788 ( 0.000 0.000 0.373) 0.373 60.820 ( 0.000 0.000 -0.333) 0.333 61.226 ( 0.000 0.000 -0.146) 0.146 61.239 ( 0.000 0.000 -0.292) 0.292 61.264 ( 0.000 0.000 1.108) 1.108 61.279 ( 0.000 0.000 0.397) 0.397 64.087 ( 0.000 0.000 -0.970) 0.970 64.104 ( 0.000 0.000 -0.833) 0.833 64.183 ( 0.000 0.000 3.115) 3.115 64.213 ( 0.000 0.000 2.649) 2.649 ======================= Grid point 56 (20/54) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 9.341 0.000 14.013) 16.841 0.649 ( 14.557 0.000 14.114) 20.276 1.113 ( 23.378 0.000 21.415) 31.704 1.223 ( -7.721 0.000 -2.507) 8.118 1.461 ( -4.901 0.000 0.320) 4.911 1.504 ( 3.261 0.000 -2.421) 4.061 1.621 ( -0.709 0.000 -4.006) 4.068 1.652 ( 0.362 0.000 0.041) 0.364 2.094 ( -5.318 0.000 -3.212) 6.213 2.232 ( -2.500 0.000 9.095) 9.432 2.308 ( 9.547 0.000 2.153) 9.787 2.824 ( 0.650 0.000 -10.514) 10.534 2.927 ( 0.813 0.000 1.627) 1.819 2.997 ( 0.852 0.000 -7.072) 7.123 3.068 ( -2.211 0.000 -1.889) 2.908 3.175 ( 3.894 0.000 -9.175) 9.967 3.383 ( -2.722 0.000 2.653) 3.801 3.535 ( -5.107 0.000 -2.719) 5.786 3.864 ( -0.264 0.000 -0.778) 0.822 3.880 ( -0.462 0.000 -0.959) 1.065 4.157 ( 1.504 0.000 0.182) 1.515 4.244 ( 2.456 0.000 4.171) 4.841 4.301 ( -6.068 0.000 -3.328) 6.921 4.442 ( -4.062 0.000 -0.778) 4.136 4.508 ( -4.072 0.000 -0.554) 4.110 4.604 ( -9.486 0.000 -1.328) 9.579 4.634 ( -4.314 0.000 1.695) 4.635 4.874 ( -1.267 0.000 1.522) 1.980 4.876 ( 5.036 0.000 2.126) 5.466 5.034 ( -0.660 0.000 1.548) 1.683 5.191 ( -3.661 0.000 -0.974) 3.788 5.246 ( -4.067 0.000 -5.762) 7.053 5.341 ( -0.922 0.000 1.708) 1.941 5.410 ( 0.627 0.000 1.057) 1.229 5.455 ( 0.226 0.000 0.785) 0.817 5.511 ( -0.718 0.000 1.070) 1.289 5.626 ( -0.555 0.000 1.372) 1.480 5.667 ( 3.401 0.000 1.992) 3.942 5.736 ( -1.586 0.000 9.386) 9.519 5.847 ( -1.167 0.000 -1.817) 2.159 5.908 ( 9.858 0.000 -1.009) 9.910 6.013 ( -0.703 0.000 -2.088) 2.203 6.143 ( 9.114 0.000 -1.156) 9.187 6.472 ( 3.491 0.000 -8.065) 8.789 6.700 ( 4.324 0.000 1.536) 4.589 6.776 ( -3.826 0.000 4.065) 5.582 6.901 ( -0.651 0.000 -1.793) 1.907 6.950 ( -1.713 0.000 0.213) 1.726 7.288 ( 3.131 0.000 3.174) 4.459 7.519 ( 0.298 0.000 -0.791) 0.845 7.716 ( 1.389 0.000 2.714) 3.048 8.063 ( -3.917 0.000 -3.822) 5.473 12.577 ( 0.061 0.000 0.106) 0.122 12.590 ( -0.095 0.000 -0.187) 0.210 12.700 ( 0.516 0.000 0.422) 0.667 12.736 ( -0.350 0.000 -0.384) 0.520 13.004 ( 0.657 0.000 0.921) 1.131 13.078 ( -0.676 0.000 0.101) 0.683 13.217 ( 0.615 0.000 2.798) 2.864 13.407 ( -1.753 0.000 -2.215) 2.825 20.187 ( 0.419 0.000 0.931) 1.021 20.234 ( -0.624 0.000 0.414) 0.749 20.276 ( 0.133 0.000 -0.832) 0.843 20.282 ( -0.031 0.000 -0.514) 0.515 20.739 ( -0.534 0.000 0.955) 1.095 20.762 ( -0.421 0.000 -0.197) 0.465 20.777 ( -0.027 0.000 0.134) 0.136 20.786 ( -0.026 0.000 -0.013) 0.029 20.827 ( 0.153 0.000 0.120) 0.194 20.833 ( 0.183 0.000 0.004) 0.183 20.847 ( -0.082 0.000 0.072) 0.110 20.859 ( -0.195 0.000 -0.178) 0.264 22.448 ( 1.429 0.000 -1.073) 1.787 22.473 ( -0.144 0.000 -0.458) 0.481 22.512 ( 0.595 0.000 0.275) 0.655 22.549 ( -0.336 0.000 -0.485) 0.590 23.753 ( 0.003 0.000 0.086) 0.086 23.765 ( 0.327 0.000 -0.260) 0.417 23.782 ( -0.280 0.000 0.312) 0.419 23.798 ( -0.119 0.000 -0.102) 0.157 24.365 ( 0.241 0.000 0.775) 0.811 24.413 ( -0.494 0.000 0.250) 0.554 24.466 ( -0.804 0.000 1.542) 1.739 24.529 ( -1.224 0.000 0.064) 1.226 24.660 ( 0.587 0.000 -0.020) 0.587 24.661 ( 0.325 0.000 -0.078) 0.334 24.692 ( -0.309 0.000 0.308) 0.436 24.716 ( -0.578 0.000 -0.236) 0.624 26.323 ( -0.626 0.000 0.977) 1.160 26.333 ( -0.273 0.000 0.223) 0.352 26.346 ( 0.027 0.000 -0.129) 0.132 26.353 ( -0.133 0.000 -0.120) 0.179 29.009 ( 0.312 0.000 0.971) 1.020 29.040 ( -0.527 0.000 0.729) 0.900 29.083 ( 0.702 0.000 -1.187) 1.379 29.106 ( -0.037 0.000 -0.886) 0.886 49.991 ( 3.936 0.000 1.387) 4.173 50.153 ( 6.219 0.000 -1.981) 6.527 50.372 ( -3.962 0.000 4.552) 6.035 50.762 ( -6.448 0.000 -4.019) 7.598 51.838 ( 6.655 0.000 -0.462) 6.671 52.224 ( 1.108 0.000 -0.895) 1.425 52.638 ( 29.766 0.000 -28.866) 41.464 53.153 ( 3.218 0.000 -10.271) 10.763 54.462 ( 1.040 0.000 12.997) 13.039 55.314 ( -32.996 0.000 28.947) 43.894 55.729 ( -0.102 0.000 -14.101) 14.102 56.125 ( -8.100 0.000 -5.130) 9.588 60.643 ( -4.570 0.000 0.045) 4.571 60.645 ( -4.412 0.000 0.002) 4.412 60.889 ( 4.860 0.000 0.149) 4.863 60.902 ( 4.395 0.000 -0.117) 4.396 61.213 ( -0.369 0.000 1.498) 1.543 61.246 ( -0.137 0.000 0.692) 0.706 61.303 ( 2.179 0.000 0.160) 2.185 61.308 ( 2.033 0.000 0.378) 2.068 64.073 ( -0.598 0.000 1.846) 1.940 64.108 ( -0.799 0.000 1.405) 1.616 64.217 ( 2.378 0.000 1.415) 2.767 64.238 ( 1.750 0.000 1.853) 2.549 ======================= Grid point 57 (21/54) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 11.406 0.000 6.378) 13.068 0.960 ( 13.937 0.000 11.260) 17.917 1.025 ( -10.214 0.000 1.186) 10.283 1.250 ( -12.402 0.000 8.203) 14.870 1.562 ( 2.101 0.000 -3.440) 4.031 1.599 ( -1.340 0.000 -3.838) 4.065 1.604 ( 18.057 0.000 1.169) 18.095 1.814 ( 12.852 0.000 5.232) 13.876 1.908 ( -11.166 0.000 -4.957) 12.217 2.096 ( -10.303 0.000 8.981) 13.668 2.563 ( 12.732 0.000 -1.219) 12.790 2.783 ( -5.883 0.000 -6.417) 8.705 2.957 ( 1.939 0.000 0.685) 2.057 3.010 ( -2.777 0.000 -0.628) 2.848 3.081 ( 6.830 0.000 -3.706) 7.770 3.229 ( -1.898 0.000 -4.308) 4.707 3.323 ( -1.287 0.000 -3.729) 3.945 3.389 ( -6.068 0.000 -4.005) 7.271 3.861 ( 0.079 0.000 -1.021) 1.024 3.868 ( -0.518 0.000 -1.099) 1.214 4.198 ( 2.994 0.000 -2.191) 3.710 4.243 ( 0.828 0.000 -5.487) 5.549 4.314 ( -6.350 0.000 -4.878) 8.007 4.316 ( 3.987 0.000 3.450) 5.272 4.359 ( -8.736 0.000 -7.098) 11.256 4.411 ( -4.551 0.000 2.080) 5.004 4.728 ( 8.357 0.000 8.917) 12.221 4.862 ( -1.069 0.000 5.717) 5.816 4.975 ( -2.932 0.000 3.147) 4.301 5.002 ( 6.116 0.000 -1.361) 6.266 5.024 ( -7.813 0.000 4.293) 8.915 5.134 ( -5.848 0.000 -3.904) 7.031 5.393 ( 3.260 0.000 0.545) 3.306 5.469 ( 0.976 0.000 1.569) 1.848 5.490 ( -5.520 0.000 3.912) 6.766 5.492 ( -1.035 0.000 1.823) 2.096 5.521 ( 7.882 0.000 -0.577) 7.903 5.711 ( -7.340 0.000 -0.326) 7.347 5.744 ( 3.396 0.000 -0.301) 3.410 5.808 ( -2.388 0.000 -1.344) 2.740 6.001 ( 6.758 0.000 1.469) 6.916 6.101 ( 1.053 0.000 -1.214) 1.607 6.336 ( 6.735 0.000 -1.775) 6.965 6.443 ( -3.793 0.000 -3.948) 5.475 6.757 ( 1.226 0.000 1.383) 1.848 6.772 ( 1.131 0.000 0.237) 1.155 6.885 ( -0.271 0.000 -0.343) 0.437 6.905 ( -1.901 0.000 0.740) 2.040 7.378 ( 4.833 0.000 3.317) 5.861 7.479 ( -3.851 0.000 2.596) 4.644 7.801 ( 6.069 0.000 -1.477) 6.246 7.946 ( -6.496 0.000 -3.171) 7.229 12.580 ( 0.240 0.000 0.052) 0.246 12.586 ( -0.251 0.000 -0.074) 0.262 12.713 ( 0.643 0.000 0.138) 0.657 12.726 ( -0.550 0.000 -0.149) 0.570 13.025 ( 1.195 0.000 1.277) 1.748 13.054 ( -1.339 0.000 1.381) 1.923 13.267 ( 3.414 0.000 0.026) 3.414 13.346 ( -3.495 0.000 -1.419) 3.772 20.200 ( 0.726 0.000 0.745) 1.040 20.218 ( -0.827 0.000 0.532) 0.983 20.279 ( 0.118 0.000 -0.680) 0.690 20.281 ( -0.080 0.000 -0.591) 0.597 20.738 ( 0.343 0.000 0.496) 0.603 20.749 ( -0.611 0.000 0.116) 0.622 20.779 ( 0.175 0.000 -0.027) 0.177 20.783 ( -0.177 0.000 -0.071) 0.191 20.832 ( 0.228 0.000 0.128) 0.262 20.836 ( -0.063 0.000 0.099) 0.117 20.847 ( 0.190 0.000 -0.071) 0.203 20.853 ( -0.319 0.000 -0.152) 0.354 22.466 ( 0.396 0.000 -0.688) 0.794 22.471 ( -0.100 0.000 -0.414) 0.426 22.525 ( 0.633 0.000 0.058) 0.636 22.539 ( -0.565 0.000 -0.240) 0.614 23.756 ( 0.308 0.000 0.099) 0.323 23.765 ( -0.376 0.000 -0.077) 0.383 23.783 ( 0.389 0.000 0.105) 0.403 23.793 ( -0.364 0.000 -0.087) 0.374 24.373 ( 0.579 0.000 1.030) 1.182 24.391 ( -1.055 0.000 1.305) 1.678 24.477 ( 1.141 0.000 -0.084) 1.145 24.503 ( -1.229 0.000 -0.236) 1.252 24.671 ( 0.512 0.000 0.040) 0.513 24.677 ( 0.843 0.000 -0.064) 0.845 24.683 ( -0.402 0.000 0.165) 0.435 24.699 ( -0.938 0.000 -0.170) 0.953 26.320 ( 0.177 0.000 0.598) 0.623 26.326 ( -0.356 0.000 0.333) 0.487 26.348 ( 0.090 0.000 -0.191) 0.211 26.350 ( -0.144 0.000 -0.184) 0.234 29.018 ( 0.489 0.000 0.854) 0.985 29.029 ( -0.499 0.000 0.743) 0.895 29.094 ( 0.420 0.000 -0.976) 1.062 29.102 ( -0.300 0.000 -0.827) 0.880 50.108 ( 6.394 0.000 2.355) 6.814 50.250 ( -5.972 0.000 3.375) 6.860 50.342 ( 9.747 0.000 -2.406) 10.040 50.572 ( -10.327 0.000 -3.373) 10.864 51.986 ( 7.259 0.000 3.931) 8.255 52.140 ( -6.335 0.000 5.702) 8.523 53.103 ( 11.659 0.000 -30.363) 32.525 53.207 ( 0.410 0.000 -18.131) 18.136 54.529 ( 6.035 0.000 17.892) 18.882 54.767 ( -16.922 0.000 26.772) 31.672 55.789 ( 4.922 0.000 -15.207) 15.984 55.937 ( -8.342 0.000 -11.254) 14.009 60.572 ( -1.680 0.000 0.017) 1.681 60.574 ( -1.810 0.000 -0.016) 1.810 60.967 ( 2.008 0.000 0.076) 2.010 60.971 ( 1.650 0.000 -0.008) 1.650 61.216 ( 0.613 0.000 2.403) 2.480 61.234 ( -0.816 0.000 2.285) 2.427 61.339 ( 1.116 0.000 -0.054) 1.117 61.344 ( 0.810 0.000 0.087) 0.815 64.069 ( 0.278 0.000 4.055) 4.065 64.084 ( -1.078 0.000 3.890) 4.037 64.260 ( 1.266 0.000 0.754) 1.474 64.267 ( 0.641 0.000 0.895) 1.101 ======================= Grid point 60 (22/54) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 0.000 11.226 14.162) 18.072 0.694 ( 0.000 15.142 17.174) 22.896 1.075 ( 0.000 26.388 21.220) 33.861 1.466 ( 0.000 4.549 -4.273) 6.242 1.521 ( 0.000 17.389 -5.828) 18.340 1.671 ( 0.000 12.987 -0.999) 13.025 1.755 ( 0.000 11.208 -3.699) 11.803 1.786 ( 0.000 9.125 3.401) 9.738 2.075 ( 0.000 -8.186 -0.524) 8.202 2.162 ( 0.000 0.772 3.158) 3.251 2.254 ( 0.000 1.065 10.924) 10.976 2.781 ( 0.000 -2.665 -8.194) 8.616 2.908 ( 0.000 -3.587 -9.538) 10.190 2.995 ( 0.000 -7.601 -4.787) 8.982 3.047 ( 0.000 -0.190 -5.894) 5.897 3.090 ( 0.000 -2.825 -8.126) 8.603 3.359 ( 0.000 -3.707 3.724) 5.254 3.684 ( 0.000 6.675 -4.762) 8.199 3.887 ( 0.000 0.761 0.017) 0.761 3.902 ( 0.000 2.629 -1.324) 2.944 4.150 ( 0.000 1.447 1.704) 2.235 4.259 ( 0.000 4.063 3.900) 5.632 4.393 ( 0.000 1.785 -1.749) 2.499 4.492 ( 0.000 -3.830 4.652) 6.026 4.592 ( 0.000 -5.908 4.174) 7.234 4.675 ( 0.000 3.659 -4.825) 6.055 4.793 ( 0.000 -0.580 1.965) 2.049 4.841 ( 0.000 -2.112 -0.405) 2.151 4.919 ( 0.000 6.339 2.663) 6.876 4.996 ( 0.000 -2.154 -3.708) 4.288 5.150 ( 0.000 -0.880 -7.570) 7.621 5.171 ( 0.000 -6.622 -2.891) 7.225 5.366 ( 0.000 -6.883 2.397) 7.288 5.419 ( 0.000 -1.319 3.499) 3.740 5.443 ( 0.000 -6.982 -0.498) 6.999 5.494 ( 0.000 -6.261 1.785) 6.510 5.551 ( 0.000 -2.180 4.493) 4.994 5.564 ( 0.000 2.254 0.987) 2.461 5.671 ( 0.000 -2.874 -4.687) 5.498 5.820 ( 0.000 4.931 0.934) 5.019 5.849 ( 0.000 -1.158 -1.414) 1.828 6.048 ( 0.000 -0.770 9.766) 9.797 6.093 ( 0.000 -2.336 -2.280) 3.264 6.317 ( 0.000 0.651 -5.145) 5.186 6.663 ( 0.000 3.278 -1.225) 3.500 6.737 ( 0.000 -6.112 6.697) 9.067 6.872 ( 0.000 -2.507 -4.354) 5.024 6.960 ( 0.000 -0.280 -0.087) 0.293 7.386 ( 0.000 11.979 3.160) 12.389 7.610 ( 0.000 7.567 -0.239) 7.570 7.766 ( 0.000 5.408 4.645) 7.129 8.135 ( 0.000 2.699 -3.562) 4.469 12.658 ( 0.000 7.629 -0.316) 7.635 12.670 ( 0.000 7.953 -0.267) 7.958 12.764 ( 0.000 7.021 0.563) 7.044 12.804 ( 0.000 6.229 -0.350) 6.239 12.994 ( 0.000 -0.156 0.554) 0.576 13.067 ( 0.000 -1.445 -0.930) 1.718 13.188 ( 0.000 -2.979 3.972) 4.965 13.390 ( 0.000 -2.801 -1.774) 3.316 20.192 ( 0.000 0.921 0.952) 1.325 20.279 ( 0.000 0.493 -0.880) 1.009 20.287 ( 0.000 0.430 -0.426) 0.605 20.296 ( 0.000 3.023 -2.500) 3.923 20.727 ( 0.000 -2.042 0.884) 2.225 20.752 ( 0.000 -1.330 -0.283) 1.360 20.764 ( 0.000 -1.387 0.282) 1.416 20.772 ( 0.000 -1.209 0.002) 1.209 20.832 ( 0.000 0.551 0.042) 0.553 20.836 ( 0.000 0.274 -0.234) 0.360 20.851 ( 0.000 0.277 0.121) 0.302 20.866 ( 0.000 0.265 -0.071) 0.274 22.405 ( 0.000 -1.039 0.636) 1.218 22.461 ( 0.000 -1.416 -0.531) 1.512 22.489 ( 0.000 -1.477 0.465) 1.548 22.537 ( 0.000 -1.590 -0.570) 1.689 23.756 ( 0.000 0.105 0.004) 0.105 23.768 ( 0.000 0.448 -0.597) 0.746 23.788 ( 0.000 0.147 0.200) 0.249 23.799 ( 0.000 0.053 -0.050) 0.073 24.365 ( 0.000 0.277 0.592) 0.654 24.409 ( 0.000 -0.272 -0.391) 0.476 24.473 ( 0.000 -3.306 2.664) 4.246 24.485 ( 0.000 -0.722 0.488) 0.871 24.660 ( 0.000 0.685 0.128) 0.697 24.694 ( 0.000 0.424 -0.195) 0.467 24.726 ( 0.000 0.330 -0.219) 0.397 24.738 ( 0.000 2.574 -2.569) 3.637 26.318 ( 0.000 -2.032 1.160) 2.340 26.325 ( 0.000 -1.013 0.074) 1.016 26.330 ( 0.000 -1.007 -0.041) 1.008 26.343 ( 0.000 -1.188 -0.115) 1.193 29.004 ( 0.000 -0.102 0.974) 0.980 29.045 ( 0.000 -0.723 0.654) 0.974 29.055 ( 0.000 -0.414 -0.112) 0.429 29.100 ( 0.000 -0.458 -0.931) 1.038 50.199 ( 0.000 10.850 -0.626) 10.868 50.490 ( 0.000 14.886 -3.557) 15.305 50.912 ( 0.000 44.820 -37.284) 58.301 50.951 ( 0.000 10.032 -3.448) 10.608 51.519 ( 0.000 -9.125 2.488) 9.458 51.834 ( 0.000 -15.322 -5.927) 16.428 52.383 ( 0.000 6.452 0.242) 6.457 52.930 ( 0.000 -17.357 -6.274) 18.456 54.454 ( 0.000 0.294 10.992) 10.996 55.579 ( 0.000 -7.135 -14.976) 16.589 55.604 ( 0.000 -42.251 33.229) 53.752 55.880 ( 0.000 -8.759 2.359) 9.071 60.767 ( 0.000 0.909 -0.099) 0.914 60.775 ( 0.000 -3.668 1.565) 3.988 60.779 ( 0.000 1.452 -0.511) 1.539 60.790 ( 0.000 3.279 -0.109) 3.281 61.241 ( 0.000 0.178 -0.161) 0.241 61.269 ( 0.000 1.295 -0.281) 1.325 61.284 ( 0.000 4.525 1.596) 4.798 61.360 ( 0.000 6.939 -0.374) 6.949 64.069 ( 0.000 -0.718 -1.033) 1.258 64.101 ( 0.000 -0.299 -0.796) 0.850 64.169 ( 0.000 -1.309 2.782) 3.075 64.206 ( 0.000 -0.672 2.204) 2.304 ======================= Grid point 61 (23/54) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 12.249 10.367 11.064) 19.492 0.861 ( 11.705 18.444 9.001) 23.627 1.229 ( 14.621 14.986 15.288) 25.925 1.426 ( -4.873 17.266 0.100) 17.941 1.510 ( -3.445 6.637 -1.568) 7.641 1.620 ( -1.416 7.918 1.947) 8.276 1.712 ( -0.944 8.256 -4.480) 9.441 1.780 ( 0.863 13.708 -0.914) 13.765 2.046 ( -3.602 -4.257 -1.656) 5.817 2.236 ( -2.168 1.100 9.267) 9.581 2.272 ( 8.139 -2.256 1.607) 8.598 2.772 ( -1.306 -4.374 -6.853) 8.234 2.898 ( -0.398 -3.375 -6.172) 7.046 2.969 ( -2.300 -7.387 -5.160) 9.300 3.059 ( 2.550 0.631 -5.292) 5.908 3.136 ( 2.762 -3.027 -7.085) 8.184 3.346 ( -0.302 -2.014 4.164) 4.635 3.638 ( -4.541 8.228 -3.555) 10.047 3.881 ( -0.310 0.581 -0.436) 0.790 3.905 ( -0.002 3.085 -1.192) 3.307 4.168 ( 0.976 0.934 -0.328) 1.391 4.270 ( -0.157 2.628 2.064) 3.346 4.313 ( -6.670 -0.773 -0.382) 6.725 4.419 ( -1.552 -0.841 -0.893) 1.978 4.513 ( -9.440 0.097 -2.082) 9.667 4.634 ( -8.839 1.546 -3.482) 9.625 4.635 ( -0.319 0.552 4.010) 4.060 4.827 ( 0.580 -2.127 4.858) 5.335 4.869 ( 1.272 -1.945 1.680) 2.868 5.034 ( -1.711 -1.730 0.356) 2.459 5.096 ( -3.526 -5.338 -0.698) 6.435 5.253 ( -6.122 -3.136 -0.420) 6.892 5.270 ( 3.224 -5.804 -1.226) 6.752 5.390 ( -0.246 -4.454 -0.368) 4.476 5.405 ( -3.733 -0.485 -0.160) 3.768 5.485 ( -0.670 -1.638 0.933) 2.000 5.600 ( 1.255 -3.131 2.968) 4.493 5.625 ( 6.481 -2.853 0.494) 7.099 5.757 ( -0.306 0.637 8.087) 8.118 5.827 ( 1.289 -1.901 -0.883) 2.461 5.899 ( 6.926 -0.594 0.808) 6.998 6.046 ( 3.214 2.168 -1.978) 4.352 6.231 ( 5.589 6.799 -3.651) 9.528 6.458 ( 8.145 -3.129 -6.450) 10.850 6.642 ( -1.631 -4.920 -0.036) 5.183 6.720 ( 0.177 -1.185 5.302) 5.436 6.872 ( -0.240 -2.153 -2.877) 3.602 6.937 ( -2.005 -0.795 -0.111) 2.159 7.411 ( 2.214 11.112 3.092) 11.744 7.597 ( -1.029 6.865 0.713) 6.978 7.782 ( 1.719 5.984 2.994) 6.908 8.094 ( -3.638 3.004 -3.305) 5.761 12.656 ( -0.071 7.667 -0.022) 7.667 12.669 ( -0.125 7.919 -0.209) 7.923 12.768 ( 0.376 6.798 0.438) 6.823 12.800 ( -0.389 6.151 -0.246) 6.168 13.002 ( 0.709 -0.073 0.706) 1.003 13.066 ( -0.320 -1.022 0.029) 1.072 13.192 ( 1.101 -2.168 2.555) 3.527 13.375 ( -1.689 -3.036 -1.880) 3.950 20.197 ( 0.470 0.967 0.870) 1.383 20.266 ( -1.466 2.019 -0.807) 2.622 20.283 ( -0.057 0.723 -0.571) 0.923 20.288 ( -0.109 0.775 -0.683) 1.039 20.723 ( -0.097 -1.443 0.820) 1.662 20.749 ( -0.337 -1.206 -0.218) 1.271 20.762 ( -0.049 -1.438 0.204) 1.454 20.773 ( -0.048 -1.268 -0.035) 1.270 20.834 ( 0.128 0.532 0.050) 0.549 20.837 ( 0.133 0.285 -0.075) 0.323 20.850 ( -0.099 0.274 0.092) 0.305 20.862 ( -0.295 0.218 -0.066) 0.373 22.428 ( 1.312 -1.769 -0.288) 2.221 22.458 ( -0.161 -1.434 -0.389) 1.494 22.496 ( 0.580 -1.526 0.295) 1.659 22.533 ( -0.324 -1.575 -0.479) 1.678 23.756 ( 0.053 0.240 0.005) 0.246 23.769 ( 0.134 0.302 -0.384) 0.506 23.784 ( -0.266 0.165 0.290) 0.426 23.798 ( -0.117 0.053 -0.083) 0.153 24.367 ( 0.197 0.230 0.677) 0.742 24.407 ( -0.565 -0.567 0.416) 0.902 24.456 ( -0.097 -0.812 1.246) 1.490 24.498 ( 0.145 -1.776 0.294) 1.806 24.666 ( 0.534 0.626 0.080) 0.826 24.691 ( -0.253 0.764 -0.327) 0.869 24.711 ( -1.303 1.968 -0.516) 2.416 24.721 ( -0.627 0.707 -0.329) 1.001 26.310 ( -0.279 -1.211 0.951) 1.564 26.322 ( -0.221 -1.065 0.168) 1.100 26.335 ( 0.146 -1.110 -0.123) 1.127 26.342 ( -0.107 -1.162 -0.146) 1.176 29.008 ( 0.305 -0.114 0.933) 0.988 29.037 ( -0.409 -0.255 0.637) 0.799 29.072 ( 0.858 -0.910 -0.680) 1.424 29.100 ( -0.093 -0.552 -0.850) 1.018 50.274 ( 6.630 11.261 -1.081) 13.113 50.395 ( -7.058 22.794 -6.543) 24.743 50.569 ( -9.380 21.651 2.507) 23.728 50.917 ( -6.459 16.427 -5.090) 18.370 51.716 ( 6.337 -11.684 -0.765) 13.314 52.037 ( 5.546 -19.164 -3.847) 20.317 52.553 ( 16.008 -5.660 -21.858) 27.678 52.946 ( 1.127 -19.835 -8.348) 21.550 54.463 ( 1.055 0.539 12.042) 12.100 55.088 ( -25.280 -17.720 33.213) 45.345 55.636 ( 1.749 -8.202 -14.331) 16.604 55.948 ( -2.279 -13.452 -2.631) 13.895 60.702 ( -2.485 3.358 0.647) 4.228 60.730 ( -2.140 5.242 -0.379) 5.675 60.846 ( 3.048 -2.078 -0.252) 3.697 60.880 ( 3.609 -0.946 -1.460) 4.006 61.257 ( 1.778 1.792 0.988) 2.711 61.293 ( 1.048 4.640 1.105) 4.883 61.312 ( 2.194 1.087 0.044) 2.449 61.364 ( 0.429 5.918 -0.283) 5.940 64.064 ( -0.271 -0.658 1.332) 1.510 64.099 ( -0.592 -0.590 1.480) 1.700 64.202 ( 2.412 -1.361 0.992) 2.942 64.227 ( 1.567 -0.965 1.553) 2.408 ======================= Grid point 62 (24/54) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 12.390 10.700 7.947) 18.197 1.077 ( 8.841 18.373 7.071) 21.580 1.250 ( -8.883 18.369 0.847) 20.421 1.309 ( -11.335 6.562 7.411) 15.049 1.600 ( 12.809 3.652 -0.156) 13.320 1.676 ( 1.880 10.096 -2.081) 10.478 1.727 ( 2.021 8.155 -5.304) 9.936 1.890 ( 5.972 6.278 5.142) 10.076 1.900 ( -4.543 2.503 -2.659) 5.829 2.129 ( -8.238 3.797 8.235) 12.252 2.484 ( 10.802 -6.430 -0.574) 12.584 2.691 ( -6.864 -7.338 -3.500) 10.640 2.897 ( 0.450 -4.929 -3.920) 6.314 2.922 ( -1.771 -6.791 -4.500) 8.337 3.154 ( 5.187 1.358 -4.238) 6.834 3.193 ( 1.782 -4.056 -5.963) 7.428 3.359 ( 1.885 3.369 1.537) 4.155 3.483 ( -8.659 9.997 -0.826) 13.251 3.881 ( 0.356 1.149 -1.178) 1.684 3.895 ( -0.793 2.665 -1.260) 3.053 4.189 ( 1.565 -0.420 -2.807) 3.241 4.206 ( -0.615 -3.247 -4.941) 5.944 4.256 ( -3.165 -2.611 -3.456) 5.364 4.298 ( -7.499 -3.506 -4.579) 9.460 4.411 ( 1.552 5.208 0.671) 5.476 4.486 ( -4.914 4.628 0.853) 6.804 4.718 ( 7.090 -0.702 8.178) 10.846 4.840 ( -1.411 -2.374 6.583) 7.139 4.951 ( 4.808 -4.493 2.196) 6.937 4.965 ( -2.843 -1.684 2.521) 4.156 4.999 ( -3.709 -2.004 1.306) 4.413 5.096 ( -6.945 -4.150 1.252) 8.187 5.314 ( 0.549 -8.448 -0.797) 8.504 5.334 ( -1.840 -6.726 -0.344) 6.981 5.433 ( 2.487 -1.711 -1.353) 3.308 5.477 ( -1.384 -2.320 0.221) 2.710 5.614 ( 3.744 3.666 2.311) 5.727 5.704 ( -0.813 -2.009 0.150) 2.172 5.765 ( 1.674 0.999 1.700) 2.586 5.856 ( -4.721 4.519 -0.296) 6.542 5.991 ( 8.195 -1.564 -0.122) 8.344 6.115 ( 0.043 1.057 -2.272) 2.506 6.379 ( 5.605 4.113 -1.322) 7.076 6.464 ( -3.285 1.774 -2.360) 4.417 6.691 ( 3.471 -6.108 -1.057) 7.104 6.733 ( -0.227 -2.808 1.065) 3.012 6.864 ( -0.000 -1.717 -0.738) 1.869 6.887 ( -2.054 -1.373 0.172) 2.476 7.477 ( 3.582 9.121 3.056) 10.264 7.553 ( -3.055 7.108 2.491) 8.128 7.859 ( 5.244 5.382 -0.465) 7.529 7.986 ( -5.874 3.940 -2.451) 7.486 12.658 ( 0.239 7.715 0.058) 7.719 12.664 ( -0.292 7.825 -0.070) 7.830 12.778 ( 0.502 6.375 0.206) 6.398 12.790 ( -0.511 6.125 -0.029) 6.147 13.023 ( 1.168 -0.006 1.062) 1.578 13.049 ( -1.124 -0.249 1.152) 1.628 13.243 ( 3.245 -2.397 0.001) 4.034 13.318 ( -3.306 -2.788 -1.317) 4.521 20.212 ( 0.879 1.143 0.634) 1.575 20.235 ( -1.245 1.567 0.207) 2.012 20.284 ( 0.085 0.503 -0.571) 0.766 20.286 ( -0.094 0.518 -0.579) 0.783 20.726 ( 0.405 -1.155 0.426) 1.296 20.738 ( -0.603 -1.123 0.090) 1.278 20.764 ( 0.220 -1.415 0.015) 1.432 20.769 ( -0.221 -1.336 -0.054) 1.355 20.837 ( 0.189 0.481 0.072) 0.521 20.840 ( 0.011 0.377 0.054) 0.381 20.849 ( 0.131 0.176 -0.036) 0.223 20.855 ( -0.345 0.141 -0.097) 0.385 22.448 ( 0.542 -1.752 -0.408) 1.878 22.455 ( -0.185 -1.547 -0.315) 1.590 22.510 ( 0.644 -1.531 0.039) 1.661 22.523 ( -0.554 -1.545 -0.247) 1.660 23.760 ( 0.276 0.299 0.070) 0.413 23.767 ( -0.348 0.253 -0.071) 0.436 23.785 ( 0.348 0.109 0.081) 0.373 23.793 ( -0.351 0.064 -0.083) 0.366 24.374 ( 0.473 0.075 0.892) 1.012 24.388 ( -0.837 -0.225 1.084) 1.387 24.470 ( 0.974 -0.638 -0.039) 1.165 24.490 ( -0.776 -1.111 -0.145) 1.363 24.682 ( 0.736 0.477 -0.009) 0.877 24.687 ( 0.049 1.128 -0.203) 1.147 24.693 ( -0.382 1.009 0.107) 1.085 24.704 ( -0.874 0.591 -0.155) 1.067 26.310 ( 0.193 -0.977 0.547) 1.136 26.316 ( -0.315 -1.012 0.308) 1.104 26.337 ( 0.091 -1.077 -0.186) 1.097 26.339 ( -0.121 -1.108 -0.190) 1.131 29.016 ( 0.479 -0.135 0.814) 0.954 29.027 ( -0.477 -0.164 0.684) 0.850 29.086 ( 0.519 -0.742 -0.816) 1.219 29.095 ( -0.317 -0.628 -0.787) 1.056 50.337 ( 1.724 18.914 0.102) 18.993 50.418 ( -3.350 13.280 2.496) 13.922 50.482 ( 8.861 15.972 -1.271) 18.310 50.721 ( -10.839 15.248 -3.390) 19.012 51.857 ( 6.927 -12.338 3.266) 14.521 52.001 ( -5.553 -13.578 4.578) 15.368 52.852 ( 8.944 -23.644 -23.970) 34.837 52.953 ( -1.244 -24.445 -14.603) 28.502 54.515 ( 4.241 -0.468 16.006) 16.565 54.683 ( -12.183 -5.760 24.417) 27.889 55.702 ( 4.463 -8.102 -13.675) 16.510 55.828 ( -6.739 -9.778 -9.662) 15.309 60.671 ( -0.345 6.975 0.326) 6.991 60.686 ( -1.623 7.913 -0.138) 8.079 60.900 ( 1.765 -3.578 -0.594) 4.034 60.918 ( 0.240 -2.433 -1.234) 2.739 61.298 ( 1.439 4.591 1.338) 4.994 61.310 ( 0.318 5.161 1.364) 5.348 61.351 ( 1.424 1.373 0.206) 1.988 61.370 ( -0.202 4.095 0.177) 4.104 64.065 ( 0.395 -0.333 3.569) 3.606 64.080 ( -0.940 -0.327 3.530) 3.668 64.246 ( 1.315 -1.315 0.486) 1.922 64.254 ( 0.594 -1.219 0.666) 1.511 ======================= Grid point 65 (25/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 16.787 8.600) 18.862 0.976 ( 0.000 15.177 11.410) 18.988 1.560 ( 0.000 12.391 -6.044) 13.786 1.690 ( 0.000 23.174 10.548) 25.461 1.752 ( 0.000 -12.836 -1.874) 12.972 1.864 ( 0.000 10.085 4.495) 11.041 1.912 ( 0.000 18.698 -4.624) 19.261 2.086 ( 0.000 16.670 -1.023) 16.702 2.100 ( 0.000 14.024 0.777) 14.046 2.231 ( 0.000 6.268 2.271) 6.667 2.306 ( 0.000 5.389 7.159) 8.961 2.721 ( 0.000 -3.423 -1.737) 3.838 2.778 ( 0.000 -9.116 -7.191) 11.611 2.846 ( 0.000 -7.125 -6.884) 9.908 2.955 ( 0.000 -6.709 -3.688) 7.656 3.014 ( 0.000 -4.804 -6.743) 8.280 3.348 ( 0.000 1.484 2.476) 2.887 3.741 ( 0.000 -1.130 -6.346) 6.445 3.950 ( 0.000 5.306 -1.843) 5.617 3.954 ( 0.000 2.692 -3.721) 4.593 4.173 ( 0.000 0.596 0.583) 0.834 4.351 ( 0.000 4.719 3.083) 5.637 4.393 ( 0.000 -4.498 2.242) 5.026 4.439 ( 0.000 0.761 3.284) 3.371 4.516 ( 0.000 -1.600 6.720) 6.908 4.669 ( 0.000 -4.408 -6.640) 7.970 4.756 ( 0.000 -3.235 2.878) 4.330 4.834 ( 0.000 1.412 -0.702) 1.577 4.914 ( 0.000 -5.298 -2.116) 5.705 4.991 ( 0.000 -0.534 -1.482) 1.576 5.092 ( 0.000 -2.354 -0.353) 2.380 5.147 ( 0.000 0.572 -7.642) 7.664 5.215 ( 0.000 -7.186 3.543) 8.012 5.290 ( 0.000 -7.555 -1.311) 7.668 5.333 ( 0.000 -5.259 1.462) 5.458 5.390 ( 0.000 -4.914 -2.983) 5.748 5.557 ( 0.000 2.289 4.275) 4.849 5.579 ( 0.000 -0.433 1.572) 1.631 5.626 ( 0.000 -1.383 -0.215) 1.400 5.815 ( 0.000 -2.383 -0.481) 2.431 5.862 ( 0.000 -1.053 9.881) 9.937 5.995 ( 0.000 -4.361 -1.511) 4.615 6.026 ( 0.000 -1.572 11.739) 11.844 6.385 ( 0.000 3.615 -11.932) 12.468 6.602 ( 0.000 -4.754 2.331) 5.294 6.806 ( 0.000 7.613 -1.325) 7.728 6.829 ( 0.000 -1.734 -7.432) 7.632 6.964 ( 0.000 0.826 -0.600) 1.020 7.653 ( 0.000 14.455 2.855) 14.735 7.769 ( 0.000 8.684 2.399) 9.010 7.897 ( 0.000 7.462 4.591) 8.761 8.201 ( 0.000 3.831 -2.470) 4.558 12.838 ( 0.000 9.375 0.555) 9.391 12.879 ( 0.000 12.800 -0.362) 12.805 12.938 ( 0.000 5.175 0.071) 5.175 12.948 ( 0.000 11.185 0.437) 11.194 13.017 ( 0.000 4.259 0.299) 4.270 13.030 ( 0.000 -2.125 -0.665) 2.226 13.154 ( 0.000 0.480 2.194) 2.246 13.315 ( 0.000 -4.728 -1.548) 4.975 20.216 ( 0.000 1.506 0.821) 1.715 20.291 ( 0.000 0.682 -0.512) 0.853 20.298 ( 0.000 0.740 -0.503) 0.894 20.334 ( 0.000 1.130 -1.864) 2.180 20.687 ( 0.000 -2.069 0.668) 2.174 20.717 ( 0.000 -2.208 -0.151) 2.213 20.730 ( 0.000 -2.078 0.172) 2.085 20.741 ( 0.000 -1.979 -0.093) 1.981 20.841 ( 0.000 0.214 -0.137) 0.254 20.844 ( 0.000 0.596 -0.069) 0.600 20.857 ( 0.000 0.307 0.130) 0.333 20.869 ( 0.000 0.076 0.112) 0.135 22.379 ( 0.000 -1.577 0.541) 1.667 22.425 ( 0.000 -2.181 -0.444) 2.226 22.450 ( 0.000 -2.430 0.434) 2.469 22.494 ( 0.000 -2.731 -0.520) 2.780 23.758 ( 0.000 0.157 0.003) 0.157 23.772 ( 0.000 0.043 -0.446) 0.448 23.792 ( 0.000 0.227 0.212) 0.310 23.800 ( 0.000 0.063 0.025) 0.068 24.373 ( 0.000 0.526 0.364) 0.640 24.403 ( 0.000 -0.355 -0.254) 0.437 24.435 ( 0.000 -1.139 1.530) 1.908 24.468 ( 0.000 -0.979 0.144) 0.989 24.676 ( 0.000 0.865 0.274) 0.908 24.701 ( 0.000 0.370 -0.016) 0.371 24.733 ( 0.000 0.410 -0.145) 0.435 24.762 ( 0.000 0.334 -1.467) 1.505 26.282 ( 0.000 -1.729 0.762) 1.889 26.298 ( 0.000 -1.667 0.068) 1.668 26.304 ( 0.000 -1.680 -0.043) 1.681 26.312 ( 0.000 -1.916 -0.170) 1.923 29.002 ( 0.000 -0.119 0.861) 0.870 29.035 ( 0.000 -0.325 0.405) 0.519 29.044 ( 0.000 -0.675 -0.083) 0.680 29.088 ( 0.000 -0.790 -0.841) 1.154 50.426 ( 0.000 9.915 0.967) 9.962 50.775 ( 0.000 11.314 -2.877) 11.674 50.959 ( 0.000 -14.695 1.777) 14.802 51.222 ( 0.000 -8.406 -12.769) 15.288 51.457 ( 0.000 -15.913 -0.102) 15.913 51.535 ( 0.000 16.268 -2.551) 16.466 52.539 ( 0.000 -19.428 -2.267) 19.560 52.676 ( 0.000 18.105 -24.242) 30.256 54.483 ( 0.000 3.108 9.118) 9.633 55.040 ( 0.000 -16.262 31.501) 35.451 55.415 ( 0.000 -9.054 -12.477) 15.416 55.670 ( 0.000 -11.876 0.334) 11.881 60.683 ( 0.000 -2.795 2.987) 4.091 60.786 ( 0.000 0.886 -0.612) 1.077 60.822 ( 0.000 2.924 0.531) 2.972 60.873 ( 0.000 3.275 -1.009) 3.427 61.244 ( 0.000 -0.134 -0.992) 1.001 61.288 ( 0.000 0.611 -1.483) 1.604 61.383 ( 0.000 4.115 2.256) 4.693 61.467 ( 0.000 2.916 0.228) 2.925 64.069 ( 0.000 0.446 -1.774) 1.829 64.095 ( 0.000 -0.228 -0.690) 0.727 64.138 ( 0.000 -1.628 2.044) 2.614 64.188 ( 0.000 -1.115 1.494) 1.865 ======================= Grid point 66 (26/54) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 10.226 15.449 6.026) 19.483 1.131 ( 14.954 11.666 8.077) 20.615 1.597 ( 2.841 10.790 -4.934) 12.200 1.686 ( -4.346 14.469 7.245) 16.755 1.722 ( -4.106 -2.661 1.950) 5.267 1.788 ( -0.171 16.098 6.887) 17.510 1.891 ( 0.509 17.044 -7.055) 18.453 2.091 ( -1.685 11.130 -1.075) 11.308 2.103 ( -0.152 17.168 1.120) 17.205 2.231 ( 1.204 -0.675 1.226) 1.846 2.326 ( 1.060 7.659 4.946) 9.179 2.677 ( -3.393 -5.009 -2.060) 6.392 2.774 ( -0.546 -8.310 -4.113) 9.289 2.848 ( -1.724 -5.074 -8.177) 9.776 2.966 ( 3.912 -6.550 -4.727) 8.975 3.065 ( 2.574 -5.485 -5.162) 7.960 3.365 ( 2.375 2.908 4.052) 5.524 3.759 ( 0.366 2.956 -5.524) 6.276 3.906 ( -2.164 1.907 -0.811) 2.996 3.978 ( 0.397 4.268 -3.821) 5.742 4.170 ( -1.009 -1.314 -1.208) 2.050 4.278 ( -6.647 -1.066 1.428) 6.882 4.315 ( -4.715 1.065 -0.189) 4.837 4.416 ( -2.826 0.427 2.803) 4.003 4.519 ( -4.547 0.265 2.470) 5.182 4.620 ( -5.031 -2.848 -2.467) 6.285 4.645 ( -0.526 0.030 -1.686) 1.767 4.805 ( -1.999 -2.782 2.322) 4.139 4.823 ( -1.543 -0.624 3.190) 3.598 4.947 ( -2.776 -6.062 -0.481) 6.685 5.036 ( -3.406 -1.384 1.276) 3.892 5.078 ( -6.411 -9.266 4.943) 12.304 5.230 ( -1.867 -4.274 -3.417) 5.781 5.272 ( 4.213 -4.246 -4.845) 7.698 5.406 ( -5.921 -1.034 0.787) 6.062 5.470 ( -1.710 0.539 -0.518) 1.866 5.535 ( 7.134 -2.489 3.202) 8.206 5.571 ( 6.850 -2.787 -0.527) 7.414 5.719 ( 2.953 -4.474 -0.609) 5.395 5.788 ( -1.207 -1.816 9.961) 10.197 5.909 ( 7.245 1.868 2.238) 7.809 6.072 ( 5.470 0.127 -1.172) 5.596 6.270 ( 10.988 -4.745 3.603) 12.499 6.420 ( 5.152 1.583 -8.888) 10.394 6.556 ( -3.523 -2.840 0.626) 4.568 6.764 ( -2.326 2.905 -3.051) 4.812 6.849 ( 0.191 1.045 -3.949) 4.089 6.931 ( -2.735 0.372 -0.581) 2.820 7.662 ( 0.839 13.731 2.737) 14.026 7.756 ( -1.048 9.021 2.302) 9.368 7.919 ( 1.946 7.524 3.571) 8.553 8.168 ( -2.943 4.273 -2.118) 5.604 12.841 ( 0.250 9.665 0.598) 9.687 12.876 ( -0.268 12.604 -0.211) 12.608 12.926 ( -0.656 5.417 0.252) 5.463 12.942 ( -0.603 9.040 0.500) 9.074 13.029 ( 1.044 4.347 0.172) 4.473 13.054 ( 1.595 0.648 -0.625) 1.832 13.154 ( 0.248 -0.473 1.690) 1.772 13.297 ( -1.682 -4.757 -1.494) 5.262 20.222 ( 0.549 1.534 0.723) 1.783 20.290 ( -0.280 0.883 -0.736) 1.183 20.296 ( -0.162 0.687 -0.287) 0.762 20.315 ( -1.240 1.383 -1.060) 2.138 20.689 ( 0.203 -1.957 0.556) 2.044 20.717 ( -0.103 -2.065 -0.224) 2.079 20.726 ( -0.180 -2.142 0.257) 2.165 20.740 ( -0.124 -2.048 -0.078) 2.053 20.842 ( 0.160 0.242 -0.070) 0.298 20.845 ( 0.097 0.577 -0.056) 0.587 20.856 ( -0.094 0.325 0.092) 0.350 20.866 ( -0.300 0.131 0.062) 0.333 22.390 ( 0.823 -2.005 0.248) 2.181 22.422 ( -0.225 -2.214 -0.286) 2.243 22.456 ( 0.536 -2.467 0.251) 2.537 22.491 ( -0.285 -2.698 -0.443) 2.749 23.761 ( 0.187 0.212 0.012) 0.283 23.774 ( 0.135 0.130 -0.365) 0.410 23.788 ( -0.281 0.222 0.277) 0.452 23.800 ( -0.119 0.059 -0.027) 0.136 24.374 ( 0.079 0.446 0.432) 0.626 24.397 ( -0.505 -0.382 0.346) 0.722 24.440 ( 0.508 -0.805 0.693) 1.177 24.471 ( 0.083 -1.199 0.048) 1.203 24.681 ( 0.417 0.796 0.207) 0.922 24.702 ( 0.058 0.500 -0.057) 0.507 24.726 ( -0.633 0.458 -0.121) 0.791 24.745 ( -1.180 0.841 -0.887) 1.699 26.282 ( 0.045 -1.603 0.632) 1.724 26.295 ( -0.224 -1.637 0.137) 1.657 26.306 ( 0.134 -1.745 -0.107) 1.753 26.311 ( -0.057 -1.885 -0.181) 1.895 29.005 ( 0.283 -0.132 0.823) 0.880 29.032 ( -0.288 -0.238 0.418) 0.561 29.053 ( 0.699 -0.927 -0.293) 1.198 29.086 ( -0.182 -0.838 -0.787) 1.164 50.506 ( 6.731 9.830 0.112) 11.914 50.701 ( -5.349 6.760 -4.165) 9.573 50.855 ( -4.029 4.546 4.102) 7.329 51.270 ( -2.451 3.837 -8.205) 9.384 51.483 ( 3.277 -7.561 0.455) 8.253 51.605 ( 5.781 -10.694 -1.765) 12.284 52.492 ( -4.057 -20.900 -4.306) 21.721 52.553 ( -9.013 4.664 -17.612) 20.327 54.497 ( 1.284 3.238 9.690) 10.297 54.832 ( -12.283 -6.890 25.887) 29.470 55.457 ( 2.249 -9.542 -12.223) 15.669 55.684 ( -1.063 -13.357 -2.234) 13.584 60.686 ( 0.805 -1.870 2.563) 3.273 60.804 ( -1.483 1.989 0.717) 2.582 60.854 ( 3.708 1.382 -2.305) 4.580 60.903 ( 2.383 2.894 -0.822) 3.838 61.273 ( 2.830 0.303 -0.712) 2.934 61.334 ( 2.971 0.793 -1.538) 3.438 61.392 ( 0.940 3.703 2.059) 4.340 61.464 ( -0.316 3.016 -0.115) 3.034 64.058 ( -0.318 0.124 0.366) 0.500 64.092 ( -0.532 -0.195 1.279) 1.399 64.171 ( 2.292 -1.698 0.289) 2.867 64.204 ( 1.162 -1.388 0.894) 2.019 ======================= Grid point 67 (27/54) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 10.729 11.697 6.387) 17.109 1.436 ( 9.886 13.583 3.209) 17.103 1.453 ( -11.540 9.227 4.893) 15.564 1.596 ( -6.259 10.288 3.004) 12.412 1.745 ( 8.084 11.600 -2.573) 14.371 1.878 ( 1.472 9.863 1.281) 10.054 1.921 ( 1.678 13.577 -5.166) 14.623 1.991 ( -5.533 11.242 -2.880) 12.857 2.135 ( 4.360 13.411 3.411) 14.508 2.234 ( -2.523 4.413 2.595) 5.707 2.392 ( 6.048 0.165 2.394) 6.507 2.559 ( -7.574 -4.960 0.559) 9.070 2.771 ( 0.646 -6.951 -5.576) 8.934 2.802 ( -1.986 -5.334 -7.092) 9.094 3.065 ( 3.744 -6.806 -4.349) 8.902 3.102 ( 0.417 -6.341 -4.326) 7.687 3.474 ( 7.731 6.192 4.153) 10.740 3.671 ( -8.489 7.713 0.766) 11.495 3.905 ( 2.004 1.444 -2.988) 3.876 3.957 ( -2.183 3.594 -3.536) 5.494 4.117 ( -1.687 -5.014 -3.895) 6.569 4.157 ( -5.151 -4.111 -3.603) 7.511 4.227 ( -0.370 1.458 -2.321) 2.766 4.285 ( -5.521 1.330 -2.273) 6.117 4.486 ( 1.414 1.835 1.780) 2.922 4.539 ( -3.279 -0.201 0.984) 3.429 4.713 ( 4.831 0.026 5.449) 7.282 4.785 ( -0.297 -2.195 5.978) 6.375 4.845 ( 1.376 -5.663 3.953) 7.042 4.884 ( -2.313 -6.765 2.061) 7.441 4.969 ( -2.457 -2.693 0.914) 3.758 4.976 ( -2.690 -5.340 4.228) 7.323 5.186 ( -1.194 -5.147 -1.795) 5.580 5.217 ( -4.593 -4.140 -0.859) 6.243 5.402 ( 2.325 -1.917 -3.467) 4.594 5.435 ( -1.096 -1.915 -1.929) 2.931 5.639 ( 1.202 -1.570 3.327) 3.870 5.649 ( 1.328 -2.342 1.167) 2.935 5.789 ( 5.500 1.672 2.888) 6.433 5.904 ( 1.257 -2.859 1.608) 3.513 5.968 ( 4.324 2.557 -1.628) 5.280 6.116 ( -2.910 -1.547 -3.992) 5.177 6.438 ( 5.314 -1.432 4.655) 7.208 6.486 ( -0.322 0.792 2.868) 2.993 6.598 ( 6.272 -0.894 -7.206) 9.595 6.701 ( -3.747 0.251 -4.074) 5.541 6.837 ( -0.354 -0.597 -1.923) 2.045 6.866 ( -2.656 -0.499 -0.677) 2.786 7.690 ( 1.602 11.948 2.626) 12.338 7.727 ( -1.626 10.038 2.491) 10.469 7.984 ( 4.034 6.931 1.092) 8.094 8.083 ( -4.592 5.477 -0.993) 7.217 12.850 ( 0.629 10.327 0.529) 10.360 12.866 ( -0.682 11.487 0.205) 11.509 12.919 ( 0.069 6.024 0.386) 6.036 12.927 ( -0.605 7.333 0.504) 7.375 13.055 ( 1.207 5.059 0.211) 5.205 13.073 ( -0.152 4.324 0.004) 4.326 13.182 ( 2.446 -3.523 0.002) 4.289 13.245 ( -2.939 -4.508 -1.102) 5.494 20.240 ( 1.067 1.617 0.419) 1.982 20.268 ( -1.422 1.629 -0.181) 2.170 20.296 ( 0.112 0.673 -0.350) 0.767 20.300 ( -0.286 0.848 -0.525) 1.037 20.696 ( 0.473 -1.859 0.312) 1.944 20.708 ( -0.570 -1.867 0.044) 1.952 20.728 ( 0.281 -2.216 0.076) 2.235 20.735 ( -0.293 -2.139 -0.033) 2.159 20.847 ( 0.213 0.316 -0.015) 0.382 20.847 ( 0.131 0.512 -0.017) 0.529 20.854 ( -0.037 0.313 0.014) 0.315 20.858 ( -0.352 0.170 -0.010) 0.391 22.406 ( 0.606 -2.314 -0.026) 2.393 22.416 ( -0.314 -2.291 -0.139) 2.317 22.469 ( 0.613 -2.538 -0.001) 2.611 22.482 ( -0.505 -2.621 -0.248) 2.681 23.766 ( 0.310 0.328 0.062) 0.456 23.773 ( -0.277 0.329 -0.059) 0.434 23.787 ( 0.271 0.078 0.075) 0.292 23.794 ( -0.339 0.051 -0.061) 0.349 24.377 ( 0.247 0.237 0.582) 0.676 24.385 ( -0.488 -0.076 0.668) 0.831 24.455 ( 0.713 -0.879 0.015) 1.132 24.467 ( -0.406 -1.154 -0.105) 1.228 24.693 ( 0.626 0.631 0.071) 0.891 24.705 ( 0.011 0.732 -0.211) 0.762 24.710 ( -0.381 0.707 0.063) 0.805 24.722 ( -0.883 0.977 -0.287) 1.348 26.284 ( 0.203 -1.539 0.413) 1.606 26.290 ( -0.257 -1.592 0.251) 1.632 26.308 ( 0.073 -1.777 -0.169) 1.787 26.310 ( -0.069 -1.823 -0.190) 1.835 29.013 ( 0.454 -0.160 0.697) 0.847 29.023 ( -0.442 -0.189 0.535) 0.719 29.069 ( 0.626 -1.012 -0.547) 1.309 29.080 ( -0.403 -0.930 -0.681) 1.222 50.629 ( 0.822 8.633 -0.364) 8.679 50.641 ( 0.755 6.291 -0.419) 6.350 50.862 ( 7.073 15.894 1.225) 17.440 51.097 ( -11.380 15.834 -3.682) 19.844 51.597 ( 5.966 -9.282 1.504) 11.136 51.682 ( -0.383 -14.035 1.210) 14.092 52.385 ( -3.125 -18.208 -11.050) 21.526 52.407 ( -4.073 -25.714 -7.498) 27.093 54.540 ( 2.725 3.202 11.787) 12.515 54.631 ( -6.179 0.857 17.054) 18.160 55.516 ( 3.475 -10.258 -10.702) 15.226 55.609 ( -4.714 -11.937 -7.270) 14.750 60.717 ( 1.869 -0.650 2.176) 2.941 60.762 ( -2.157 0.699 1.507) 2.722 60.914 ( 2.022 3.336 -2.609) 4.693 60.937 ( 0.208 2.952 -2.090) 3.623 61.341 ( 2.628 1.110 -1.038) 3.036 61.372 ( 0.052 1.514 -1.216) 1.943 61.423 ( 1.725 3.275 1.447) 3.974 61.453 ( -0.792 2.679 0.258) 2.805 64.061 ( 0.519 0.076 2.440) 2.496 64.076 ( -0.780 0.002 2.683) 2.794 64.214 ( 1.327 -1.898 -0.019) 2.316 64.224 ( 0.393 -1.792 0.183) 1.843 ======================= Grid point 70 (28/54) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 17.032 4.816) 17.700 1.286 ( 0.000 16.298 2.385) 16.471 1.501 ( 0.000 -10.093 2.919) 10.507 1.718 ( 0.000 4.816 -4.358) 6.494 1.929 ( 0.000 2.884 -0.312) 2.901 2.147 ( 0.000 11.636 8.035) 14.140 2.171 ( 0.000 5.773 -9.357) 10.995 2.327 ( 0.000 9.864 1.980) 10.061 2.366 ( 0.000 13.210 3.204) 13.593 2.445 ( 0.000 10.850 1.312) 10.929 2.449 ( 0.000 5.492 -0.886) 5.563 2.654 ( 0.000 -1.394 -0.888) 1.653 2.689 ( 0.000 5.600 -0.094) 5.600 2.757 ( 0.000 -1.349 -1.229) 1.825 2.833 ( 0.000 -5.625 -1.892) 5.935 2.915 ( 0.000 -4.777 -3.889) 6.160 3.383 ( 0.000 1.862 0.296) 1.885 3.678 ( 0.000 -4.672 -6.170) 7.740 4.010 ( 0.000 3.128 -7.509) 8.135 4.047 ( 0.000 4.135 -5.140) 6.596 4.174 ( 0.000 -0.190 -1.950) 1.959 4.290 ( 0.000 -5.317 2.111) 5.720 4.432 ( 0.000 3.692 1.865) 4.136 4.460 ( 0.000 1.183 3.796) 3.976 4.496 ( 0.000 -1.993 7.455) 7.717 4.574 ( 0.000 -4.521 -4.631) 6.471 4.700 ( 0.000 -1.481 5.868) 6.052 4.792 ( 0.000 -7.034 -1.726) 7.242 4.830 ( 0.000 -1.627 1.293) 2.078 4.887 ( 0.000 -8.075 -4.665) 9.325 5.008 ( 0.000 -6.425 1.943) 6.712 5.074 ( 0.000 -7.491 -1.444) 7.629 5.195 ( 0.000 4.652 2.359) 5.216 5.241 ( 0.000 1.169 -7.149) 7.244 5.294 ( 0.000 -4.675 -4.566) 6.534 5.314 ( 0.000 2.865 0.018) 2.865 5.555 ( 0.000 -1.929 1.764) 2.614 5.570 ( 0.000 -0.784 4.909) 4.971 5.636 ( 0.000 1.549 0.534) 1.639 5.748 ( 0.000 -4.517 0.964) 4.618 5.799 ( 0.000 -4.043 14.128) 14.695 5.940 ( 0.000 -2.796 -7.681) 8.174 6.015 ( 0.000 1.450 13.736) 13.812 6.373 ( 0.000 -4.347 2.429) 4.980 6.594 ( 0.000 3.342 -9.884) 10.433 6.801 ( 0.000 -1.291 -10.049) 10.132 6.942 ( 0.000 5.964 -2.727) 6.558 6.994 ( 0.000 2.135 -1.351) 2.526 7.919 ( 0.000 12.489 2.153) 12.673 7.935 ( 0.000 8.022 3.441) 8.729 8.034 ( 0.000 6.193 4.573) 7.698 8.270 ( 0.000 2.824 -1.243) 3.086 12.925 ( 0.000 0.666 0.141) 0.680 12.980 ( 0.000 -2.311 -0.577) 2.382 12.999 ( 0.000 0.547 2.643) 2.699 13.137 ( 0.000 12.561 -0.815) 12.587 13.158 ( 0.000 9.973 -0.035) 9.973 13.177 ( 0.000 10.538 0.349) 10.544 13.218 ( 0.000 -4.161 -0.572) 4.200 13.262 ( 0.000 8.968 -0.601) 8.988 20.247 ( 0.000 1.627 0.652) 1.752 20.302 ( 0.000 0.398 -0.029) 0.399 20.315 ( 0.000 0.942 -0.701) 1.174 20.348 ( 0.000 0.397 -1.172) 1.238 20.647 ( 0.000 -1.925 0.460) 1.979 20.671 ( 0.000 -2.405 0.035) 2.405 20.688 ( 0.000 -2.069 0.032) 2.069 20.699 ( 0.000 -2.157 -0.143) 2.162 20.845 ( 0.000 0.250 -0.015) 0.250 20.854 ( 0.000 0.490 -0.145) 0.510 20.861 ( 0.000 0.112 0.106) 0.154 20.870 ( 0.000 -0.003 0.090) 0.090 22.349 ( 0.000 -1.300 0.386) 1.356 22.382 ( 0.000 -2.116 -0.315) 2.139 22.400 ( 0.000 -2.506 0.361) 2.532 22.436 ( 0.000 -3.077 -0.411) 3.104 23.761 ( 0.000 0.158 -0.018) 0.159 23.771 ( 0.000 -0.090 -0.277) 0.292 23.796 ( 0.000 0.215 0.229) 0.314 23.801 ( 0.000 0.046 0.118) 0.126 24.384 ( 0.000 0.649 0.091) 0.655 24.397 ( 0.000 -0.209 -0.118) 0.240 24.419 ( 0.000 -0.586 0.822) 1.009 24.449 ( 0.000 -0.943 -0.064) 0.945 24.692 ( 0.000 0.677 0.292) 0.737 24.707 ( 0.000 0.199 0.050) 0.206 24.741 ( 0.000 0.331 -0.109) 0.348 24.762 ( 0.000 -0.203 -0.756) 0.783 26.250 ( 0.000 -1.434 0.391) 1.486 26.265 ( 0.000 -1.696 0.057) 1.697 26.269 ( 0.000 -1.757 -0.040) 1.757 26.273 ( 0.000 -1.953 -0.168) 1.960 29.000 ( 0.000 -0.034 0.711) 0.712 29.030 ( 0.000 -0.733 0.006) 0.733 29.031 ( 0.000 -0.071 0.132) 0.150 29.071 ( 0.000 -0.914 -0.697) 1.150 50.489 ( 0.000 -5.023 0.591) 5.058 50.589 ( 0.000 -18.304 3.142) 18.571 50.733 ( 0.000 -13.374 -3.745) 13.888 50.796 ( 0.000 -25.711 -2.319) 25.815 51.539 ( 0.000 17.130 4.209) 17.639 51.941 ( 0.000 20.391 -6.350) 21.356 52.306 ( 0.000 -2.192 3.917) 4.489 52.926 ( 0.000 6.857 -20.413) 21.534 54.581 ( 0.000 6.936 6.109) 9.243 54.896 ( 0.000 -0.673 19.025) 19.037 55.242 ( 0.000 -8.694 -8.742) 12.329 55.446 ( 0.000 -10.859 -0.596) 10.875 60.690 ( 0.000 3.740 2.638) 4.577 60.825 ( 0.000 3.321 -0.689) 3.391 60.883 ( 0.000 3.552 0.513) 3.589 60.925 ( 0.000 2.727 -0.777) 2.835 61.223 ( 0.000 -2.243 -1.247) 2.567 61.274 ( 0.000 -2.375 -2.131) 3.191 61.403 ( 0.000 -2.630 1.862) 3.222 61.456 ( 0.000 -3.996 0.624) 4.044 64.080 ( 0.000 0.652 -1.548) 1.680 64.094 ( 0.000 0.151 -0.549) 0.570 64.112 ( 0.000 -1.045 1.275) 1.648 64.164 ( 0.000 -1.307 0.737) 1.501 ======================= Grid point 71 (29/54) ======================= q-point: ( 0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 5.679 15.413 1.959) 16.542 1.349 ( 12.254 10.141 2.511) 16.103 1.564 ( 5.477 -2.505 3.783) 7.112 1.785 ( 4.257 4.196 -3.972) 7.177 1.887 ( -3.907 7.389 1.237) 8.449 2.107 ( -2.612 10.745 3.695) 11.658 2.148 ( -1.484 3.949 -5.068) 6.594 2.246 ( -3.649 5.882 -0.886) 6.978 2.345 ( -4.961 6.986 -1.312) 8.668 2.397 ( -0.110 14.487 1.236) 14.540 2.494 ( 0.627 7.576 4.333) 8.750 2.627 ( -2.108 -1.183 0.603) 2.492 2.685 ( -0.112 3.687 -3.311) 4.957 2.762 ( -0.368 -1.658 -4.768) 5.061 2.873 ( 3.552 -2.738 0.110) 4.486 2.943 ( 1.783 -5.919 -2.097) 6.528 3.422 ( 4.088 2.785 1.308) 5.116 3.754 ( 5.634 -3.035 -5.985) 8.762 3.942 ( -4.933 1.666 -4.964) 7.194 4.043 ( -1.839 1.769 -8.107) 8.499 4.154 ( -2.910 0.631 0.234) 2.987 4.253 ( -2.533 -1.965 2.613) 4.136 4.336 ( -6.354 1.834 -0.533) 6.635 4.423 ( -4.310 -0.327 2.586) 5.037 4.508 ( 0.299 -1.494 6.979) 7.143 4.567 ( -8.206 -2.067 -1.771) 8.646 4.608 ( 0.669 -4.282 -4.064) 5.942 4.747 ( 0.242 -1.807 4.111) 4.497 4.767 ( -1.823 -6.045 1.937) 6.605 4.855 ( -3.627 -2.116 -0.939) 4.303 4.931 ( -5.456 -5.486 3.622) 8.543 5.054 ( -5.650 2.525 1.441) 6.354 5.103 ( -0.144 -6.492 -1.164) 6.597 5.231 ( 1.319 -1.676 -1.755) 2.762 5.384 ( -3.041 -1.297 -0.940) 3.437 5.462 ( 4.290 -3.015 -2.851) 5.969 5.494 ( -5.147 -2.180 0.947) 5.669 5.542 ( 9.045 -0.224 -2.278) 9.330 5.632 ( 3.713 -2.251 3.795) 5.767 5.763 ( 0.258 -0.262 8.526) 8.533 5.954 ( 10.688 1.434 3.508) 11.340 6.050 ( 4.203 -2.025 -2.347) 5.223 6.156 ( 9.360 -5.150 6.624) 12.570 6.393 ( 2.924 -3.521 4.243) 6.240 6.587 ( 0.283 4.228 -10.129) 10.979 6.773 ( -2.260 -0.793 -8.778) 9.099 6.922 ( -2.204 4.569 -3.202) 5.999 6.955 ( -3.259 1.955 -1.240) 3.998 7.915 ( -0.229 11.432 2.216) 11.647 7.931 ( -0.353 9.067 3.055) 9.575 8.054 ( 1.740 5.976 3.835) 7.311 8.244 ( -2.216 3.204 -0.864) 3.990 12.926 ( 0.104 0.512 0.395) 0.655 12.962 ( -0.887 -0.136 1.126) 1.440 13.031 ( 2.228 -1.876 0.728) 3.002 13.135 ( -0.118 12.452 -0.647) 12.469 13.145 ( -0.727 11.088 0.191) 11.114 13.188 ( -0.017 2.808 -0.882) 2.943 13.208 ( -0.311 2.747 0.164) 2.769 13.258 ( -0.387 9.119 -0.568) 9.145 20.254 ( 0.551 1.602 0.550) 1.781 20.304 ( 0.099 0.467 -0.126) 0.494 20.312 ( -0.308 0.911 -0.596) 1.131 20.335 ( -1.006 0.665 -0.839) 1.469 20.650 ( 0.265 -1.909 0.398) 1.968 20.673 ( 0.170 -2.337 -0.041) 2.343 20.684 ( -0.350 -2.076 0.126) 2.109 20.697 ( -0.206 -2.209 -0.107) 2.221 20.847 ( 0.172 0.251 -0.001) 0.305 20.855 ( 0.054 0.459 -0.130) 0.480 20.861 ( -0.048 0.149 0.061) 0.169 20.867 ( -0.229 0.047 0.061) 0.241 22.355 ( 0.426 -1.513 0.284) 1.598 22.378 ( -0.231 -2.082 -0.163) 2.101 22.406 ( 0.451 -2.582 0.188) 2.628 22.434 ( -0.215 -3.027 -0.355) 3.056 23.765 ( 0.265 0.191 0.011) 0.327 23.774 ( 0.265 -0.028 -0.251) 0.366 23.792 ( -0.308 0.225 0.268) 0.466 23.800 ( -0.140 0.023 0.054) 0.152 24.384 ( -0.049 0.573 0.149) 0.594 24.393 ( -0.308 -0.030 0.190) 0.363 24.426 ( 0.489 -0.692 0.409) 0.941 24.449 ( -0.031 -1.012 -0.094) 1.017 24.695 ( 0.315 0.632 0.232) 0.743 24.709 ( 0.237 0.282 0.004) 0.368 24.734 ( -0.544 0.370 -0.070) 0.661 24.753 ( -0.728 0.064 -0.568) 0.926 26.251 ( 0.087 -1.437 0.349) 1.482 26.262 ( -0.176 -1.638 0.103) 1.651 26.271 ( 0.084 -1.808 -0.082) 1.812 26.273 ( -0.017 -1.934 -0.167) 1.941 29.003 ( 0.269 -0.034 0.663) 0.717 29.028 ( -0.251 -0.061 0.182) 0.316 29.036 ( 0.509 -0.844 -0.103) 0.991 29.069 ( -0.236 -0.936 -0.647) 1.162 50.525 ( 1.760 -11.331 -0.202) 11.469 50.597 ( 2.424 -8.774 1.154) 9.176 50.741 ( 1.080 -14.579 -1.124) 14.662 50.858 ( 4.277 -27.234 -2.020) 27.642 51.591 ( 4.785 17.099 3.307) 18.061 51.901 ( -3.345 20.668 -4.812) 21.483 52.223 ( -6.589 -3.005 2.831) 7.776 52.714 ( -17.310 7.774 -14.825) 24.080 54.594 ( 1.239 6.655 6.567) 9.431 54.805 ( -5.674 2.921 15.258) 16.539 55.276 ( 1.929 -9.057 -8.575) 12.620 55.439 ( -1.287 -11.652 -1.692) 11.845 60.699 ( 0.993 3.587 2.249) 4.348 60.837 ( -1.201 2.655 -0.696) 2.996 60.905 ( 3.284 3.401 -0.027) 4.728 60.953 ( 2.010 2.725 -0.476) 3.419 61.257 ( 2.968 -2.320 -1.266) 3.974 61.315 ( 2.938 -3.130 -2.180) 4.815 61.403 ( 0.265 -3.031 1.855) 3.564 61.460 ( 0.069 -3.485 0.084) 3.486 64.067 ( -0.364 0.740 0.003) 0.825 64.092 ( -0.353 0.239 0.887) 0.984 64.141 ( 1.916 -1.309 -0.245) 2.333 64.175 ( 0.801 -1.529 0.305) 1.753 ======================= Grid point 72 (30/54) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 7.640 9.457 2.295) 12.372 1.597 ( -2.418 5.705 -0.657) 6.231 1.656 ( 5.709 11.695 2.107) 13.184 1.753 ( -0.520 9.372 3.258) 9.936 1.945 ( 6.084 6.613 0.427) 8.996 2.052 ( -2.748 8.344 3.945) 9.630 2.130 ( 0.143 2.097 -7.903) 8.178 2.181 ( -3.495 -0.644 -6.834) 7.703 2.279 ( 1.203 9.599 -0.412) 9.683 2.354 ( -3.635 8.291 -0.697) 9.079 2.506 ( 1.275 6.774 6.883) 9.741 2.562 ( -3.516 2.796 3.975) 5.998 2.702 ( 1.748 2.075 -6.896) 7.411 2.742 ( -1.491 1.705 -6.240) 6.638 2.944 ( 2.378 -4.685 0.572) 5.285 2.968 ( 0.196 -6.414 -0.340) 6.426 3.562 ( 8.442 3.133 1.257) 9.091 3.762 ( -8.396 2.178 -1.734) 8.845 3.902 ( 3.881 -3.749 -6.387) 8.361 3.977 ( -3.323 -2.305 -7.505) 8.525 4.075 ( -1.597 1.610 -0.114) 2.271 4.138 ( -6.298 4.051 0.092) 7.489 4.268 ( 0.145 1.966 -0.732) 2.102 4.315 ( -4.079 1.509 -0.355) 4.364 4.469 ( -0.617 -3.919 1.057) 4.105 4.491 ( -1.612 -2.375 4.669) 5.481 4.644 ( 2.260 -7.478 2.368) 8.163 4.707 ( -3.216 -8.368 4.227) 9.911 4.786 ( 1.333 1.835 3.175) 3.902 4.815 ( -1.643 0.509 3.114) 3.558 4.873 ( 2.934 -2.562 -0.052) 3.895 4.964 ( -3.800 -0.127 0.917) 3.911 5.097 ( 0.565 -3.746 -0.542) 3.827 5.162 ( -5.246 -2.133 1.924) 5.981 5.351 ( 0.634 -3.636 -2.075) 4.234 5.387 ( -2.804 -3.502 -0.995) 4.595 5.577 ( 3.859 -2.622 0.338) 4.677 5.636 ( -1.219 0.244 2.615) 2.896 5.780 ( 8.595 -5.176 -3.680) 10.687 5.850 ( 4.698 0.731 4.769) 6.734 6.041 ( -2.264 1.042 -3.195) 4.052 6.070 ( -1.422 1.037 1.531) 2.333 6.353 ( 8.685 -5.302 6.079) 11.853 6.461 ( 0.129 -3.030 5.242) 6.056 6.654 ( 5.195 4.309 -8.924) 11.189 6.728 ( -1.432 1.717 -7.005) 7.353 6.845 ( -3.208 1.188 -3.412) 4.832 6.874 ( -4.000 1.121 -1.761) 4.512 7.914 ( 0.178 10.508 2.271) 10.753 7.922 ( -0.460 9.825 2.598) 10.173 8.107 ( 3.082 5.309 2.045) 6.470 8.181 ( -3.406 4.191 0.269) 5.407 12.932 ( 0.445 0.421 0.950) 1.131 12.945 ( -0.730 0.417 1.355) 1.594 13.087 ( 2.694 -2.620 -0.097) 3.759 13.130 ( -0.840 9.190 0.010) 9.229 13.134 ( 0.147 11.459 -0.374) 11.466 13.155 ( -2.040 -1.804 -0.804) 2.839 13.224 ( 1.056 10.019 -0.121) 10.075 13.245 ( -0.802 9.517 -0.448) 9.561 20.271 ( 1.032 1.505 0.238) 1.841 20.296 ( -1.085 1.235 -0.309) 1.673 20.308 ( 0.222 0.542 -0.193) 0.616 20.316 ( -0.541 0.725 -0.416) 0.995 20.659 ( 0.484 -1.897 0.240) 1.973 20.670 ( -0.503 -1.933 0.008) 1.997 20.682 ( 0.318 -2.368 0.136) 2.393 20.691 ( -0.371 -2.299 -0.018) 2.329 20.852 ( 0.287 0.235 -0.002) 0.370 20.856 ( 0.012 0.361 -0.079) 0.370 20.859 ( -0.057 0.227 -0.018) 0.235 20.861 ( -0.264 0.152 0.013) 0.305 22.365 ( 0.441 -1.834 0.117) 1.889 22.373 ( -0.301 -2.003 -0.015) 2.026 22.417 ( 0.505 -2.737 -0.021) 2.784 22.427 ( -0.398 -2.900 -0.210) 2.934 23.772 ( 0.389 0.281 0.074) 0.486 23.779 ( -0.094 0.256 -0.076) 0.283 23.788 ( 0.114 0.021 0.144) 0.184 23.795 ( -0.358 -0.017 -0.014) 0.359 24.383 ( 0.048 0.425 0.275) 0.508 24.386 ( -0.224 0.242 0.341) 0.474 24.437 ( 0.515 -0.892 0.030) 1.031 24.446 ( -0.289 -1.034 -0.108) 1.079 24.705 ( 0.539 0.552 0.101) 0.778 24.716 ( -0.058 0.456 -0.182) 0.494 24.722 ( -0.080 0.433 0.100) 0.452 24.735 ( -0.809 0.359 -0.257) 0.922 26.254 ( 0.162 -1.479 0.261) 1.511 26.258 ( -0.192 -1.559 0.176) 1.580 26.272 ( 0.040 -1.854 -0.132) 1.859 26.273 ( -0.023 -1.893 -0.158) 1.900 29.011 ( 0.437 -0.040 0.524) 0.683 29.021 ( -0.423 -0.048 0.338) 0.544 29.049 ( 0.610 -0.969 -0.324) 1.190 29.061 ( -0.460 -0.975 -0.515) 1.195 50.566 ( 2.561 -11.543 0.113) 11.824 50.621 ( -1.611 -9.283 -1.125) 9.489 50.831 ( 6.394 -15.776 0.331) 17.026 50.917 ( -0.217 -24.634 -1.556) 24.684 51.729 ( 6.419 18.468 0.710) 19.565 51.821 ( -3.335 20.103 -1.602) 20.441 52.109 ( -0.483 -2.205 0.114) 2.260 52.306 ( -16.933 5.835 -5.932) 18.867 54.636 ( 2.535 6.519 7.630) 10.351 54.703 ( -3.685 5.961 10.253) 12.420 55.319 ( 2.340 -9.848 -7.292) 12.475 55.383 ( -3.304 -11.112 -4.692) 12.507 60.735 ( 2.213 3.225 1.600) 4.226 60.790 ( -2.621 2.994 0.622) 4.027 60.972 ( 2.110 2.864 -1.050) 3.709 60.988 ( 0.670 2.631 -0.760) 2.820 61.329 ( 2.889 -2.861 -1.577) 4.361 61.359 ( 0.410 -3.464 -1.738) 3.897 61.423 ( 1.443 -3.346 0.948) 3.765 61.451 ( -0.929 -3.078 -0.101) 3.217 64.069 ( 0.469 0.780 1.384) 1.656 64.082 ( -0.561 0.575 1.672) 1.855 64.177 ( 1.169 -1.804 -0.330) 2.175 64.188 ( 0.171 -1.844 -0.176) 1.860 ======================= Grid point 75 (31/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 3.183 0.709) 3.261 1.475 ( 0.000 11.800 3.743) 12.380 1.576 ( 0.000 10.778 -6.166) 12.417 1.705 ( 0.000 -5.162 -0.328) 5.172 1.921 ( 0.000 -0.894 -2.361) 2.524 2.177 ( 0.000 -5.064 -11.660) 12.713 2.316 ( 0.000 6.178 5.353) 8.174 2.394 ( 0.000 -1.803 2.902) 3.416 2.412 ( 0.000 2.296 1.408) 2.693 2.537 ( 0.000 2.617 2.156) 3.391 2.676 ( 0.000 5.018 4.619) 6.820 2.724 ( 0.000 -4.229 -0.656) 4.280 2.746 ( 0.000 2.366 -1.085) 2.603 2.755 ( 0.000 6.600 1.172) 6.703 2.888 ( 0.000 8.606 -0.018) 8.606 2.904 ( 0.000 4.794 0.983) 4.894 3.421 ( 0.000 2.310 -2.496) 3.401 3.577 ( 0.000 -5.399 -6.115) 8.158 4.073 ( 0.000 3.288 -11.472) 11.934 4.106 ( 0.000 2.013 -5.358) 5.724 4.170 ( 0.000 -0.360 -6.111) 6.122 4.201 ( 0.000 -3.580 1.264) 3.796 4.435 ( 0.000 -2.555 4.641) 5.298 4.481 ( 0.000 -1.275 5.539) 5.684 4.504 ( 0.000 3.408 2.340) 4.134 4.508 ( 0.000 0.101 -3.613) 3.614 4.663 ( 0.000 -5.718 -0.617) 5.752 4.665 ( 0.000 -4.216 2.467) 4.885 4.776 ( 0.000 -1.470 3.124) 3.452 4.799 ( 0.000 -1.233 4.898) 5.051 4.901 ( 0.000 -4.004 1.927) 4.443 4.939 ( 0.000 -5.768 -0.393) 5.781 5.221 ( 0.000 -1.801 -3.667) 4.085 5.249 ( 0.000 -0.840 -6.889) 6.940 5.314 ( 0.000 6.183 0.508) 6.204 5.385 ( 0.000 3.654 -2.222) 4.276 5.510 ( 0.000 -2.556 1.319) 2.877 5.550 ( 0.000 -2.992 3.502) 4.606 5.619 ( 0.000 -1.547 7.244) 7.407 5.712 ( 0.000 2.013 -2.385) 3.121 5.723 ( 0.000 -3.770 12.163) 12.734 5.866 ( 0.000 -4.606 -8.000) 9.232 6.082 ( 0.000 4.818 12.819) 13.694 6.278 ( 0.000 -4.920 8.434) 9.764 6.668 ( 0.000 3.711 -12.783) 13.310 6.773 ( 0.000 -1.767 -11.568) 11.702 7.029 ( 0.000 2.924 -3.178) 4.319 7.036 ( 0.000 1.904 -2.310) 2.993 8.067 ( 0.000 5.343 3.955) 6.648 8.114 ( 0.000 4.782 2.998) 5.644 8.136 ( 0.000 6.730 2.909) 7.332 8.298 ( 0.000 -0.129 -0.154) 0.201 12.926 ( 0.000 -0.286 -0.496) 0.573 12.941 ( 0.000 -1.520 -0.353) 1.560 13.001 ( 0.000 0.732 2.347) 2.458 13.114 ( 0.000 -4.661 -0.460) 4.683 13.339 ( 0.000 7.406 -0.154) 7.408 13.346 ( 0.000 7.621 -0.504) 7.638 13.371 ( 0.000 7.786 0.473) 7.800 13.416 ( 0.000 5.797 -0.556) 5.824 20.277 ( 0.000 1.334 0.481) 1.418 20.306 ( 0.000 -0.102 0.180) 0.207 20.333 ( 0.000 0.822 -0.701) 1.080 20.351 ( 0.000 -0.059 -0.845) 0.847 20.617 ( 0.000 -1.111 0.364) 1.169 20.629 ( 0.000 -1.732 0.188) 1.742 20.655 ( 0.000 -1.223 -0.060) 1.225 20.662 ( 0.000 -1.530 -0.147) 1.537 20.850 ( 0.000 0.304 0.055) 0.309 20.861 ( 0.000 -0.111 0.049) 0.122 20.862 ( 0.000 0.298 -0.125) 0.323 20.869 ( 0.000 -0.065 -0.009) 0.066 22.333 ( 0.000 -0.240 0.176) 0.298 22.348 ( 0.000 -1.199 -0.151) 1.208 22.358 ( 0.000 -1.662 0.240) 1.679 22.380 ( 0.000 -2.503 -0.236) 2.514 23.764 ( 0.000 0.139 -0.056) 0.150 23.769 ( 0.000 -0.120 -0.174) 0.211 23.800 ( 0.000 0.139 0.242) 0.279 23.802 ( 0.000 0.010 0.195) 0.195 24.395 ( 0.000 0.046 -0.027) 0.054 24.396 ( 0.000 0.482 -0.149) 0.504 24.411 ( 0.000 -0.178 0.485) 0.517 24.432 ( 0.000 -0.836 -0.112) 0.844 24.702 ( 0.000 0.396 0.240) 0.463 24.709 ( 0.000 0.003 0.115) 0.115 24.746 ( 0.000 0.264 -0.131) 0.294 24.757 ( 0.000 -0.286 -0.404) 0.495 26.229 ( 0.000 -0.729 0.168) 0.748 26.237 ( 0.000 -1.034 0.034) 1.035 26.240 ( 0.000 -1.157 -0.025) 1.157 26.240 ( 0.000 -1.328 -0.100) 1.332 29.001 ( 0.000 0.152 0.531) 0.553 29.016 ( 0.000 -0.618 0.153) 0.636 29.033 ( 0.000 0.228 -0.099) 0.248 29.054 ( 0.000 -0.817 -0.516) 0.966 50.251 ( 0.000 -11.083 1.614) 11.200 50.363 ( 0.000 -17.047 -0.515) 17.055 50.383 ( 0.000 -7.134 0.800) 7.179 50.463 ( 0.000 -12.068 -1.105) 12.118 51.885 ( 0.000 15.930 3.525) 16.316 52.154 ( 0.000 2.481 -2.058) 3.224 52.497 ( 0.000 17.231 0.407) 17.236 52.952 ( 0.000 -3.683 -12.077) 12.626 54.739 ( 0.000 8.833 2.636) 9.218 54.955 ( 0.000 5.710 9.838) 11.375 55.076 ( 0.000 -8.462 -4.430) 9.551 55.253 ( 0.000 -9.027 0.383) 9.035 60.824 ( 0.000 9.631 1.735) 9.786 60.914 ( 0.000 5.535 -0.171) 5.538 60.964 ( 0.000 4.823 0.220) 4.828 61.001 ( 0.000 5.477 -0.891) 5.549 61.155 ( 0.000 -4.543 -1.049) 4.663 61.195 ( 0.000 -5.498 -1.817) 5.790 61.281 ( 0.000 -9.296 1.403) 9.401 61.327 ( 0.000 -8.643 0.322) 8.649 64.091 ( 0.000 0.388 -0.850) 0.934 64.099 ( 0.000 -0.285 0.676) 0.733 64.102 ( 0.000 0.550 -0.509) 0.750 64.139 ( 0.000 -1.251 0.109) 1.256 ======================= Grid point 76 (32/54) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 4.201 3.812 1.138) 5.786 1.613 ( 11.464 13.211 -0.746) 17.508 1.674 ( 7.574 9.642 -2.171) 12.452 1.751 ( 4.165 -6.976 -2.063) 8.382 1.972 ( 3.232 1.843 -0.866) 3.820 2.142 ( -2.862 -2.644 -9.454) 10.225 2.279 ( -3.059 6.115 4.525) 8.199 2.315 ( -6.841 4.154 -0.714) 8.035 2.372 ( -1.949 -1.804 1.319) 2.965 2.510 ( -2.712 0.047 2.347) 3.587 2.587 ( -5.080 -3.302 2.099) 6.413 2.641 ( -3.702 0.538 -1.917) 4.203 2.783 ( 2.081 5.708 -0.730) 6.120 2.836 ( 2.950 3.862 2.880) 5.650 2.889 ( 0.178 7.271 0.704) 7.307 2.932 ( 1.411 3.775 1.024) 4.159 3.479 ( 5.099 3.376 -1.744) 6.359 3.664 ( 6.354 -5.519 -5.802) 10.223 3.972 ( -6.615 1.513 -8.449) 10.836 4.044 ( -5.778 -1.494 -10.309) 11.912 4.186 ( -2.148 2.284 0.470) 3.170 4.228 ( 3.103 -0.324 1.396) 3.418 4.366 ( -6.380 0.214 1.434) 6.543 4.416 ( -3.546 0.883 0.862) 3.755 4.450 ( -2.280 -4.494 2.950) 5.839 4.523 ( -4.955 -2.450 -0.527) 5.553 4.544 ( -3.047 -1.042 1.438) 3.527 4.632 ( -3.009 -5.725 3.562) 7.384 4.766 ( 2.126 1.802 4.394) 5.203 4.823 ( 0.236 -1.348 -0.038) 1.369 4.872 ( -1.673 -0.847 2.186) 2.880 4.976 ( 0.590 -5.471 -0.495) 5.525 5.130 ( -6.819 3.924 0.754) 7.904 5.216 ( -0.861 0.662 2.662) 2.875 5.332 ( -6.499 -4.511 0.116) 7.912 5.372 ( 3.526 -4.832 -1.182) 6.098 5.463 ( -3.600 -0.875 -0.494) 3.737 5.501 ( 4.470 -2.666 -3.587) 6.321 5.681 ( 4.338 5.139 2.379) 7.134 5.788 ( 4.024 2.534 4.996) 6.898 5.917 ( 9.481 -4.366 0.133) 10.439 5.979 ( 8.960 -5.091 -0.687) 10.328 6.149 ( 4.637 3.795 9.949) 11.614 6.321 ( 4.247 -3.913 7.535) 9.493 6.665 ( 0.312 3.424 -11.597) 12.096 6.752 ( -1.491 -1.354 -10.470) 10.662 6.989 ( -3.897 2.253 -3.128) 5.482 6.998 ( -3.235 1.998 -2.682) 4.653 8.068 ( 0.176 5.793 3.504) 6.773 8.118 ( -0.368 7.774 1.626) 7.951 8.139 ( 0.960 3.101 3.846) 5.033 8.280 ( -1.656 0.145 0.163) 1.671 12.926 ( 0.209 -0.071 -0.029) 0.222 12.954 ( 0.779 -0.825 -0.418) 1.209 12.998 ( -0.084 -0.412 1.982) 2.026 13.099 ( -1.346 -4.547 -0.423) 4.761 13.337 ( -0.012 7.883 -0.116) 7.883 13.351 ( 0.147 8.055 -0.592) 8.078 13.374 ( 0.377 6.945 0.413) 6.968 13.413 ( -0.290 5.791 -0.514) 5.821 20.282 ( 0.466 1.270 0.386) 1.407 20.308 ( 0.218 -0.037 0.102) 0.243 20.329 ( -0.361 0.761 -0.606) 1.038 20.342 ( -0.700 0.121 -0.667) 0.975 20.620 ( 0.275 -1.105 0.320) 1.183 20.632 ( 0.267 -1.713 0.150) 1.740 20.651 ( -0.370 -1.203 -0.007) 1.259 20.659 ( -0.275 -1.571 -0.104) 1.599 20.852 ( 0.151 0.285 0.042) 0.325 20.861 ( 0.023 -0.058 0.007) 0.063 20.862 ( -0.005 0.249 -0.110) 0.273 20.867 ( -0.157 -0.022 -0.015) 0.159 22.335 ( 0.181 -0.359 0.146) 0.428 22.347 ( -0.116 -1.077 -0.055) 1.085 22.362 ( 0.291 -1.802 0.124) 1.829 22.379 ( -0.118 -2.440 -0.206) 2.452 23.768 ( 0.316 0.162 -0.018) 0.356 23.773 ( 0.334 -0.099 -0.147) 0.378 23.796 ( -0.293 0.175 0.245) 0.421 23.800 ( -0.187 -0.034 0.137) 0.234 24.393 ( -0.091 0.317 0.047) 0.334 24.398 ( -0.032 0.537 -0.062) 0.542 24.414 ( 0.231 -0.503 0.305) 0.632 24.431 ( -0.104 -0.887 -0.117) 0.901 24.705 ( 0.283 0.397 0.197) 0.526 24.712 ( 0.318 0.025 0.072) 0.327 24.741 ( -0.478 0.298 -0.092) 0.571 24.751 ( -0.492 -0.197 -0.327) 0.623 26.229 ( 0.057 -0.749 0.155) 0.767 26.236 ( -0.101 -0.976 0.056) 0.982 26.240 ( 0.029 -1.217 -0.054) 1.218 26.241 ( 0.009 -1.303 -0.090) 1.306 29.004 ( 0.281 0.170 0.474) 0.576 29.021 ( 0.395 -0.677 0.072) 0.787 29.030 ( -0.252 0.225 -0.037) 0.340 29.051 ( -0.255 -0.822 -0.462) 0.977 50.271 ( 1.945 -10.258 1.140) 10.503 50.389 ( 2.234 -14.895 -1.344) 15.122 50.430 ( 3.226 -11.260 0.610) 11.729 50.466 ( 0.383 -12.179 -0.663) 12.203 51.927 ( 4.171 14.902 3.069) 15.776 52.132 ( -1.415 3.983 -0.889) 4.319 52.409 ( -7.384 16.776 0.246) 18.331 52.790 ( -13.704 -0.634 -9.272) 16.558 54.747 ( 0.912 8.753 3.128) 9.339 54.907 ( -3.065 6.853 7.443) 10.572 55.103 ( 1.481 -8.787 -3.946) 9.746 55.235 ( -1.786 -9.510 -0.149) 9.677 60.825 ( 0.418 9.089 1.313) 9.193 60.921 ( -0.623 5.939 -0.713) 6.014 60.987 ( 2.630 5.085 0.446) 5.742 61.029 ( 1.963 5.456 -0.534) 5.823 61.179 ( 2.045 -5.568 -1.307) 6.074 61.214 ( 1.397 -6.948 -1.662) 7.280 61.282 ( 0.488 -8.703 1.623) 8.867 61.340 ( 0.710 -8.274 -0.138) 8.306 64.084 ( -0.043 0.967 0.050) 0.969 64.100 ( -0.001 0.579 0.312) 0.658 64.121 ( 1.224 -0.814 -0.279) 1.496 64.146 ( 0.507 -1.452 -0.082) 1.540 ======================= Grid point 77 (33/54) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 8.636 6.940 0.089) 11.079 1.734 ( -2.916 7.774 -3.521) 9.019 1.874 ( 5.826 -1.371 -6.366) 8.737 1.907 ( 6.903 12.787 1.476) 14.606 1.960 ( 2.159 -2.068 1.360) 3.284 2.125 ( -4.545 1.360 -0.456) 4.767 2.187 ( -0.709 3.099 -3.987) 5.099 2.216 ( -2.043 8.503 2.064) 8.985 2.339 ( 0.338 -3.052 -0.480) 3.108 2.413 ( -5.129 -1.321 1.549) 5.519 2.536 ( 0.277 -4.690 -2.918) 5.531 2.575 ( -2.635 -2.915 -3.008) 4.949 2.820 ( 1.722 7.503 0.920) 7.753 2.857 ( -1.194 6.449 2.183) 6.912 2.910 ( 1.704 2.446 1.871) 3.519 2.939 ( -0.749 2.355 1.645) 2.969 3.617 ( 7.179 2.949 -2.277) 8.088 3.779 ( -0.668 -2.164 -5.428) 5.882 3.806 ( -3.587 -2.396 -6.129) 7.495 3.903 ( -6.322 -4.270 -7.895) 10.978 4.154 ( 1.494 4.908 1.018) 5.230 4.234 ( -4.703 4.620 -0.072) 6.593 4.280 ( 1.228 -0.890 0.180) 1.527 4.341 ( -3.844 0.751 0.356) 3.933 4.395 ( 0.498 -2.457 2.350) 3.437 4.460 ( -3.516 -0.790 5.675) 6.723 4.501 ( 1.101 -6.259 3.403) 7.209 4.559 ( -3.427 -6.344 4.763) 8.642 4.826 ( 0.965 1.931 -0.260) 2.174 4.843 ( -0.718 1.850 0.556) 2.061 4.858 ( 4.238 0.263 -0.354) 4.261 4.944 ( -3.048 -2.276 -1.279) 4.014 5.067 ( 0.855 1.304 2.916) 3.307 5.139 ( -4.817 0.262 4.759) 6.776 5.255 ( -0.679 -5.955 0.780) 6.044 5.293 ( -4.025 -5.757 2.108) 7.334 5.558 ( 6.146 0.564 -2.152) 6.536 5.661 ( 2.130 -0.241 -2.336) 3.170 5.676 ( 3.087 -2.005 -1.725) 4.065 5.826 ( -3.915 -3.870 -1.257) 5.646 6.051 ( 7.179 3.334 1.660) 8.088 6.168 ( -0.781 5.538 3.504) 6.600 6.251 ( 8.914 -4.931 5.011) 11.352 6.386 ( -1.256 -4.567 4.702) 6.674 6.724 ( 5.108 2.650 -8.196) 10.015 6.754 ( 2.980 0.853 -6.590) 7.282 6.874 ( -5.925 1.528 -4.058) 7.342 6.896 ( -5.865 0.781 -3.299) 6.774 8.078 ( 0.762 6.680 2.657) 7.229 8.099 ( -1.066 7.647 1.975) 7.970 8.178 ( 2.289 1.742 2.497) 3.809 8.232 ( -2.519 0.864 1.092) 2.878 12.937 ( 0.755 0.523 0.547) 1.069 12.955 ( -0.703 0.946 0.698) 1.370 13.016 ( 1.749 -3.342 0.262) 3.781 13.060 ( -2.069 -4.170 -0.286) 4.664 13.340 ( 0.322 8.351 -0.148) 8.359 13.348 ( -0.339 8.554 -0.310) 8.566 13.388 ( 0.750 6.041 -0.076) 6.088 13.403 ( -0.599 5.825 -0.379) 5.868 20.296 ( 0.838 1.077 0.109) 1.369 20.314 ( 0.104 0.335 -0.186) 0.397 20.316 ( -0.522 0.591 -0.213) 0.817 20.326 ( -0.646 0.291 -0.344) 0.788 20.628 ( 0.480 -1.101 0.203) 1.218 20.638 ( -0.128 -1.285 -0.024) 1.292 20.642 ( 0.033 -1.550 0.200) 1.563 20.651 ( -0.447 -1.651 0.002) 1.710 20.857 ( 0.241 0.221 0.005) 0.327 20.861 ( -0.075 0.133 -0.071) 0.169 20.862 ( -0.001 0.077 -0.046) 0.090 20.863 ( -0.158 0.064 -0.036) 0.174 22.340 ( 0.206 -0.611 0.087) 0.651 22.344 ( -0.143 -0.861 0.027) 0.873 22.369 ( 0.320 -2.044 -0.010) 2.069 22.375 ( -0.238 -2.273 -0.124) 2.288 23.777 ( 0.462 0.224 0.066) 0.517 23.782 ( 0.369 0.022 -0.083) 0.379 23.789 ( -0.322 0.109 0.200) 0.394 23.794 ( -0.404 -0.094 0.048) 0.417 24.392 ( 0.071 0.523 0.114) 0.540 24.395 ( -0.156 0.636 0.082) 0.660 24.420 ( 0.344 -0.835 0.032) 0.904 24.427 ( -0.259 -0.936 -0.093) 0.976 24.714 ( 0.521 0.415 0.091) 0.673 24.722 ( 0.452 0.107 -0.085) 0.473 24.728 ( -0.514 0.293 0.052) 0.594 24.738 ( -0.682 -0.067 -0.162) 0.704 26.231 ( 0.097 -0.806 0.125) 0.822 26.233 ( -0.113 -0.887 0.090) 0.899 26.241 ( 0.008 -1.292 -0.090) 1.295 26.241 ( 0.004 -1.254 -0.073) 1.256 29.013 ( 0.445 0.201 0.319) 0.583 29.022 ( -0.425 0.221 0.122) 0.494 29.032 ( 0.546 -0.778 -0.115) 0.957 29.043 ( -0.464 -0.822 -0.315) 0.995 50.334 ( 3.584 -9.404 0.182) 10.066 50.403 ( -1.953 -9.850 -1.333) 10.130 50.482 ( 2.284 -17.407 -0.220) 17.558 50.500 ( 1.196 -14.768 -0.538) 14.826 52.065 ( 6.995 13.534 1.074) 15.273 52.147 ( 4.343 9.317 -0.584) 10.297 52.231 ( -6.330 12.843 1.290) 14.376 52.439 ( -16.366 4.722 -3.704) 17.432 54.784 ( 2.373 8.439 3.872) 9.583 54.842 ( -2.877 8.034 5.169) 9.977 55.134 ( 1.654 -9.268 -3.488) 10.040 55.182 ( -2.628 -9.606 -1.834) 10.126 60.848 ( 1.600 8.202 0.630) 8.381 60.889 ( -1.965 7.157 -0.186) 7.424 61.044 ( 1.932 4.880 -0.057) 5.249 61.060 ( 0.497 5.138 -0.334) 5.173 61.224 ( 1.585 -7.826 -1.528) 8.130 61.238 ( 0.394 -8.513 -1.363) 8.630 61.311 ( 1.908 -7.413 0.887) 7.706 61.343 ( -0.666 -7.435 -0.155) 7.466 64.090 ( 0.431 1.248 0.662) 1.477 64.098 ( -0.250 1.062 0.736) 1.316 64.145 ( 0.833 -1.537 -0.228) 1.763 64.153 ( 0.054 -1.693 -0.237) 1.711 ======================= Grid point 80 (34/54) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 -9.056 -0.748) 9.086 1.493 ( 0.000 9.056 -0.748) 9.086 1.681 ( 0.000 -6.394 -2.338) 6.808 1.681 ( 0.000 6.394 -2.338) 6.808 2.007 ( 0.000 -10.011 -5.992) 11.667 2.007 ( 0.000 10.011 -5.992) 11.667 2.367 ( 0.000 -1.084 2.861) 3.060 2.367 ( 0.000 1.084 2.861) 3.060 2.523 ( 0.000 -5.387 3.064) 6.197 2.523 ( 0.000 5.387 3.064) 6.197 2.657 ( 0.000 -0.108 0.950) 0.956 2.657 ( 0.000 0.108 0.950) 0.956 2.827 ( 0.000 -0.285 2.347) 2.364 2.827 ( 0.000 0.285 2.347) 2.364 2.974 ( 0.000 -0.188 0.058) 0.197 2.974 ( 0.000 0.188 0.058) 0.197 3.482 ( 0.000 -4.113 -4.913) 6.407 3.482 ( 0.000 4.113 -4.913) 6.407 4.124 ( 0.000 -0.983 -11.488) 11.530 4.124 ( 0.000 0.983 -11.488) 11.530 4.159 ( 0.000 -0.315 -1.580) 1.611 4.159 ( 0.000 0.315 -1.580) 1.611 4.429 ( 0.000 -1.936 4.603) 4.994 4.429 ( 0.000 1.936 4.603) 4.994 4.563 ( 0.000 -1.101 -2.820) 3.028 4.563 ( 0.000 1.101 -2.820) 3.028 4.580 ( 0.000 -0.438 2.709) 2.744 4.580 ( 0.000 0.438 2.709) 2.744 4.782 ( 0.000 -0.782 7.727) 7.766 4.782 ( 0.000 0.782 7.727) 7.766 4.869 ( 0.000 -1.024 0.413) 1.104 4.869 ( 0.000 1.024 0.413) 1.104 5.220 ( 0.000 -1.385 -5.163) 5.346 5.220 ( 0.000 1.385 -5.163) 5.346 5.430 ( 0.000 -3.894 0.203) 3.899 5.430 ( 0.000 3.894 0.203) 3.899 5.461 ( 0.000 -0.646 0.186) 0.672 5.461 ( 0.000 0.646 0.186) 0.672 5.653 ( 0.000 -3.311 11.428) 11.898 5.653 ( 0.000 3.311 11.428) 11.898 5.777 ( 0.000 -4.236 -6.262) 7.560 5.777 ( 0.000 4.236 -6.262) 7.560 6.181 ( 0.000 -5.125 10.921) 12.064 6.181 ( 0.000 5.125 10.921) 12.064 6.730 ( 0.000 -2.650 -12.480) 12.758 6.730 ( 0.000 2.650 -12.480) 12.758 7.057 ( 0.000 -0.001 -3.012) 3.012 7.057 ( 0.000 0.001 -3.012) 3.012 8.134 ( 0.000 -1.392 4.199) 4.424 8.134 ( 0.000 1.392 4.199) 4.424 8.257 ( 0.000 -4.263 0.784) 4.334 8.257 ( 0.000 4.263 0.784) 4.334 12.924 ( 0.000 -0.289 -0.284) 0.406 12.924 ( 0.000 0.289 -0.284) 0.406 13.038 ( 0.000 -3.021 0.766) 3.116 13.038 ( 0.000 3.021 0.766) 3.116 13.418 ( 0.000 -0.285 -0.140) 0.318 13.418 ( 0.000 0.285 -0.140) 0.318 13.463 ( 0.000 -1.219 -0.231) 1.241 13.463 ( 0.000 1.219 -0.231) 1.241 20.297 ( 0.000 -0.752 0.326) 0.820 20.297 ( 0.000 0.752 0.326) 0.820 20.346 ( 0.000 -0.482 -0.718) 0.865 20.346 ( 0.000 0.482 -0.718) 0.865 20.608 ( 0.000 -0.328 0.291) 0.438 20.608 ( 0.000 0.328 0.291) 0.438 20.645 ( 0.000 -0.202 -0.116) 0.233 20.645 ( 0.000 0.202 -0.116) 0.233 20.856 ( 0.000 -0.289 0.071) 0.297 20.856 ( 0.000 0.289 0.071) 0.297 20.867 ( 0.000 -0.169 -0.103) 0.198 20.867 ( 0.000 0.169 -0.103) 0.198 22.338 ( 0.000 -0.019 -0.033) 0.038 22.338 ( 0.000 0.019 -0.033) 0.038 22.344 ( 0.000 -1.003 0.049) 1.004 22.344 ( 0.000 1.003 0.049) 1.004 23.767 ( 0.000 -0.126 -0.106) 0.165 23.767 ( 0.000 0.126 -0.106) 0.165 23.802 ( 0.000 -0.052 0.236) 0.242 23.802 ( 0.000 0.052 0.236) 0.242 24.398 ( 0.000 -0.178 -0.012) 0.178 24.398 ( 0.000 0.178 -0.012) 0.178 24.417 ( 0.000 -0.670 0.027) 0.670 24.417 ( 0.000 0.670 0.027) 0.670 24.707 ( 0.000 -0.173 0.178) 0.248 24.707 ( 0.000 0.173 0.178) 0.248 24.751 ( 0.000 -0.263 -0.220) 0.343 24.751 ( 0.000 0.263 -0.220) 0.343 26.224 ( 0.000 -0.306 0.013) 0.307 26.224 ( 0.000 0.306 0.013) 0.307 26.227 ( 0.000 -0.074 0.004) 0.074 26.227 ( 0.000 0.074 0.004) 0.074 29.006 ( 0.000 -0.396 0.337) 0.520 29.006 ( 0.000 0.396 0.337) 0.520 29.040 ( 0.000 -0.554 -0.313) 0.637 29.040 ( 0.000 0.554 -0.313) 0.637 50.166 ( 0.000 -2.848 0.719) 2.937 50.166 ( 0.000 2.848 0.719) 2.937 50.322 ( 0.000 -1.870 0.036) 1.870 50.322 ( 0.000 1.870 0.036) 1.870 52.111 ( 0.000 -6.948 2.015) 7.234 52.111 ( 0.000 6.948 2.015) 7.234 52.796 ( 0.000 -12.207 -5.819) 13.523 52.796 ( 0.000 12.207 -5.819) 13.523 54.911 ( 0.000 -8.695 -0.617) 8.717 54.911 ( 0.000 8.695 -0.617) 8.717 55.090 ( 0.000 -7.855 3.784) 8.719 55.090 ( 0.000 7.855 3.784) 8.719 61.010 ( 0.000 -0.285 -0.181) 0.338 61.010 ( 0.000 0.285 -0.181) 0.338 61.046 ( 0.000 -7.718 1.023) 7.786 61.046 ( 0.000 7.718 1.023) 7.786 61.106 ( 0.000 -3.555 -0.802) 3.645 61.106 ( 0.000 3.555 -0.802) 3.645 61.153 ( 0.000 -7.581 -0.356) 7.590 61.153 ( 0.000 7.581 -0.356) 7.590 64.095 ( 0.000 -0.118 -0.061) 0.133 64.095 ( 0.000 0.118 -0.061) 0.133 64.117 ( 0.000 -0.982 -0.289) 1.023 64.117 ( 0.000 0.982 -0.289) 1.023 ======================= Grid point 82 (35/54) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 5.681 -9.351 -1.044) 10.991 1.557 ( 5.681 9.351 -1.044) 10.991 1.790 ( 8.364 -2.418 -2.530) 9.067 1.790 ( 8.364 2.418 -2.530) 9.067 2.031 ( 2.316 -6.609 -6.321) 9.434 2.031 ( 2.316 6.609 -6.321) 9.434 2.324 ( -3.966 -1.689 2.487) 4.977 2.324 ( -3.966 1.689 2.487) 4.977 2.482 ( -4.201 -6.826 1.691) 8.191 2.482 ( -4.201 6.826 1.691) 8.191 2.548 ( -5.578 -1.860 2.074) 6.235 2.548 ( -5.578 1.860 2.074) 6.235 2.879 ( 2.499 -1.825 1.444) 3.415 2.879 ( 2.499 1.825 1.444) 3.415 2.975 ( -0.139 -0.968 0.714) 1.211 2.975 ( -0.139 0.968 0.714) 1.211 3.559 ( 5.878 -4.926 -4.332) 8.808 3.559 ( 5.878 4.926 -4.332) 8.808 4.005 ( -7.160 -2.013 -9.917) 12.396 4.005 ( -7.160 2.013 -9.917) 12.396 4.222 ( 1.525 -0.980 -0.512) 1.884 4.222 ( 1.525 0.980 -0.512) 1.884 4.374 ( -3.541 -2.127 2.988) 5.098 4.374 ( -3.541 2.127 2.988) 5.098 4.466 ( -5.467 -3.191 -0.815) 6.383 4.466 ( -5.467 3.191 -0.815) 6.383 4.557 ( -2.745 -2.191 3.930) 5.270 4.557 ( -2.745 2.191 3.930) 5.270 4.799 ( 1.794 -1.399 3.121) 3.862 4.799 ( 1.794 1.399 3.121) 3.862 4.892 ( 0.864 -2.894 0.681) 3.096 4.892 ( 0.864 2.894 0.681) 3.096 5.210 ( -4.955 -3.948 0.459) 6.352 5.210 ( -4.955 3.948 0.459) 6.352 5.288 ( -3.246 -3.062 2.478) 5.104 5.288 ( -3.246 3.062 2.478) 5.104 5.465 ( 1.520 -1.005 -2.614) 3.186 5.465 ( 1.520 1.005 -2.614) 3.186 5.785 ( 2.464 -4.801 -0.371) 5.409 5.785 ( 2.464 4.801 -0.371) 5.409 5.888 ( 11.215 -3.561 2.657) 12.063 5.888 ( 11.215 3.561 2.657) 12.063 6.238 ( 4.533 -4.669 8.767) 10.918 6.238 ( 4.533 4.669 8.767) 10.918 6.718 ( -0.527 -2.162 -11.273) 11.490 6.718 ( -0.527 2.162 -11.273) 11.490 7.015 ( -3.812 -0.299 -3.174) 4.969 7.015 ( -3.812 0.299 -3.174) 4.969 8.143 ( 0.824 -1.796 3.727) 4.218 8.143 ( 0.824 1.796 3.727) 4.218 8.243 ( -1.235 -4.037 0.983) 4.335 8.243 ( -1.235 4.037 0.983) 4.335 12.933 ( 0.842 -0.882 -0.168) 1.231 12.933 ( 0.842 0.882 -0.168) 1.231 13.025 ( -1.104 -2.849 0.677) 3.130 13.025 ( -1.104 2.849 0.677) 3.130 13.423 ( 0.448 -0.639 -0.164) 0.797 13.423 ( 0.448 0.639 -0.164) 0.797 13.459 ( -0.318 -1.225 -0.228) 1.286 13.459 ( -0.318 1.225 -0.228) 1.286 20.301 ( 0.341 -0.678 0.241) 0.796 20.301 ( 0.341 0.678 0.241) 0.796 20.340 ( -0.486 -0.371 -0.600) 0.856 20.340 ( -0.486 0.371 -0.600) 0.856 20.612 ( 0.282 -0.331 0.255) 0.504 20.612 ( 0.282 0.331 0.255) 0.504 20.641 ( -0.333 -0.235 -0.072) 0.414 20.641 ( -0.333 0.235 -0.072) 0.414 20.858 ( 0.100 -0.252 0.042) 0.274 20.858 ( 0.100 0.252 0.042) 0.274 20.866 ( -0.083 -0.123 -0.096) 0.177 20.866 ( -0.083 0.123 -0.096) 0.177 22.339 ( 0.098 -0.238 -0.028) 0.259 22.339 ( 0.098 0.238 -0.028) 0.259 22.344 ( -0.005 -0.922 0.038) 0.923 22.344 ( -0.005 0.922 0.038) 0.923 23.771 ( 0.344 -0.133 -0.071) 0.375 23.771 ( 0.344 0.133 -0.071) 0.375 23.799 ( -0.246 -0.104 0.203) 0.335 23.799 ( -0.246 0.104 0.203) 0.335 24.400 ( 0.151 -0.371 -0.010) 0.400 24.400 ( 0.151 0.371 -0.010) 0.400 24.415 ( -0.168 -0.692 0.019) 0.712 24.415 ( -0.168 0.692 0.019) 0.712 24.711 ( 0.310 -0.192 0.141) 0.391 24.711 ( 0.310 0.192 0.141) 0.391 24.746 ( -0.441 -0.268 -0.177) 0.545 24.746 ( -0.441 0.268 -0.177) 0.545 26.225 ( 0.026 -0.292 0.011) 0.294 26.225 ( 0.026 0.292 0.011) 0.294 26.227 ( -0.028 -0.124 0.003) 0.128 26.227 ( -0.028 0.124 0.003) 0.128 29.010 ( 0.323 -0.433 0.270) 0.604 29.010 ( 0.323 0.433 0.270) 0.604 29.038 ( -0.256 -0.554 -0.254) 0.661 29.038 ( -0.256 0.554 -0.254) 0.661 50.195 ( 2.577 -3.102 0.422) 4.055 50.195 ( 2.577 3.102 0.422) 4.055 50.335 ( 0.736 -0.902 -0.295) 1.201 50.335 ( 0.736 0.902 -0.295) 1.201 52.125 ( 1.737 -5.105 2.187) 5.819 52.125 ( 1.737 5.105 2.187) 5.819 52.683 ( -9.574 -10.240 -4.608) 14.757 52.683 ( -9.574 10.240 -4.608) 14.757 54.921 ( 0.957 -8.769 -0.481) 8.834 54.921 ( 0.957 8.769 -0.481) 8.834 55.065 ( -2.147 -7.921 3.011) 8.741 55.065 ( -2.147 7.921 3.011) 8.741 61.023 ( 0.509 -8.664 -0.332) 8.686 61.023 ( 0.509 8.664 -0.332) 8.686 61.056 ( 0.885 -4.393 -0.089) 4.482 61.056 ( 0.885 4.393 -0.089) 4.482 61.117 ( 1.272 -5.824 0.274) 5.967 61.117 ( 1.272 5.824 0.274) 5.967 61.170 ( 1.303 -8.334 -0.456) 8.447 61.170 ( 1.303 8.334 -0.456) 8.447 64.102 ( 0.534 -0.729 0.026) 0.904 64.102 ( 0.534 0.729 0.026) 0.904 64.121 ( 0.264 -1.018 -0.161) 1.064 64.121 ( 0.264 1.018 -0.161) 1.064 ======================= Grid point 84 (36/54) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 8.865 -8.680 -2.329) 12.623 1.723 ( 8.865 8.680 -2.329) 12.623 1.883 ( -3.224 -6.118 -4.441) 8.219 1.883 ( -3.224 6.118 -4.441) 8.219 2.134 ( 6.730 -7.914 -2.570) 10.702 2.134 ( 6.730 7.914 -2.570) 10.702 2.229 ( -3.202 -5.086 1.583) 6.214 2.229 ( -3.202 5.086 1.583) 6.214 2.401 ( -1.350 -7.613 -0.002) 7.732 2.401 ( -1.350 7.613 -0.002) 7.732 2.449 ( -4.348 -4.608 0.886) 6.397 2.449 ( -4.348 4.608 0.886) 6.397 2.922 ( 1.683 -1.883 1.501) 2.938 2.922 ( 1.683 1.883 1.501) 2.938 2.958 ( -1.459 -1.661 1.345) 2.588 2.958 ( -1.459 1.661 1.345) 2.588 3.688 ( 5.690 -4.477 -4.777) 8.674 3.688 ( 5.690 4.477 -4.777) 8.674 3.833 ( -7.892 -2.777 -7.353) 11.138 3.833 ( -7.892 2.777 -7.353) 11.138 4.236 ( 1.836 -3.250 0.521) 3.769 4.236 ( 1.836 3.250 0.521) 3.769 4.312 ( -3.898 -3.128 -0.289) 5.006 4.312 ( -3.898 3.128 -0.289) 5.006 4.406 ( 1.270 -2.982 3.972) 5.127 4.406 ( 1.270 2.982 3.972) 5.127 4.476 ( -4.156 -2.179 5.393) 7.149 4.476 ( -4.156 2.179 5.393) 7.149 4.853 ( 2.574 -0.697 -0.885) 2.809 4.853 ( 2.574 0.697 -0.885) 2.809 4.891 ( -0.879 -2.716 -0.492) 2.897 4.891 ( -0.879 2.716 -0.492) 2.897 5.135 ( -0.372 -4.913 2.719) 5.628 5.135 ( -0.372 4.913 2.719) 5.628 5.190 ( -4.660 -3.977 4.507) 7.606 5.190 ( -4.660 3.977 4.507) 7.606 5.592 ( 7.622 -2.901 -3.488) 8.870 5.592 ( 7.622 2.901 -3.488) 8.870 5.739 ( -5.175 -4.379 -2.214) 7.131 5.739 ( -5.175 4.379 -2.214) 7.131 6.141 ( 10.197 -5.214 3.641) 12.018 6.141 ( 10.197 5.214 3.641) 12.018 6.288 ( -2.153 -5.493 4.367) 7.340 6.288 ( -2.153 5.493 4.367) 7.340 6.756 ( 4.854 -0.722 -7.135) 8.660 6.756 ( 4.854 0.722 -7.135) 8.660 6.897 ( -6.699 -0.680 -4.030) 7.848 6.897 ( -6.699 0.680 -4.030) 7.848 8.170 ( 1.569 -2.595 2.651) 4.028 8.170 ( 1.569 2.595 2.651) 4.028 8.208 ( -1.819 -3.421 1.616) 4.198 8.208 ( -1.819 3.421 1.616) 4.198 12.959 ( 1.485 -1.671 0.117) 2.239 12.959 ( 1.485 1.671 0.117) 2.239 12.994 ( -1.645 -2.370 0.437) 2.917 12.994 ( -1.645 2.370 0.437) 2.917 13.435 ( 0.661 -1.010 -0.204) 1.224 13.435 ( 0.661 1.010 -0.204) 1.224 13.449 ( -0.583 -1.189 -0.222) 1.343 13.449 ( -0.583 1.189 -0.222) 1.343 20.312 ( 0.612 -0.476 0.006) 0.775 20.312 ( 0.612 0.476 0.006) 0.775 20.326 ( -0.700 -0.270 -0.312) 0.813 20.326 ( -0.700 0.270 -0.312) 0.813 20.620 ( 0.478 -0.325 0.160) 0.600 20.620 ( 0.478 0.325 0.160) 0.600 20.631 ( -0.509 -0.292 0.037) 0.588 20.631 ( -0.509 0.292 0.037) 0.588 20.860 ( 0.150 -0.150 -0.018) 0.213 20.860 ( 0.150 0.150 -0.018) 0.213 20.864 ( -0.140 -0.043 -0.070) 0.163 20.864 ( -0.140 0.043 -0.070) 0.163 22.341 ( 0.116 -0.482 -0.011) 0.496 22.341 ( 0.116 0.482 -0.011) 0.496 22.343 ( -0.058 -0.724 0.014) 0.726 22.343 ( -0.058 0.724 0.014) 0.726 23.781 ( 0.507 -0.149 0.016) 0.529 23.781 ( 0.507 0.149 0.016) 0.529 23.791 ( -0.447 -0.148 0.119) 0.486 23.791 ( -0.447 0.148 0.119) 0.486 24.404 ( 0.261 -0.593 -0.006) 0.648 24.404 ( 0.261 0.593 -0.006) 0.648 24.410 ( -0.272 -0.696 0.004) 0.747 24.410 ( -0.272 0.696 0.004) 0.747 24.720 ( 0.560 -0.239 0.047) 0.611 24.720 ( 0.560 0.239 0.047) 0.611 24.734 ( -0.640 -0.270 -0.073) 0.698 24.734 ( -0.640 0.270 -0.073) 0.698 26.225 ( 0.043 -0.254 0.007) 0.257 26.225 ( 0.043 0.254 0.007) 0.257 26.226 ( -0.044 -0.196 0.004) 0.201 26.226 ( -0.044 0.196 0.004) 0.201 29.019 ( 0.485 -0.499 0.101) 0.703 29.019 ( 0.485 0.499 0.101) 0.703 29.030 ( -0.444 -0.541 -0.098) 0.707 29.030 ( -0.444 0.541 -0.098) 0.707 50.267 ( 3.652 -3.193 -0.210) 4.855 50.267 ( 3.652 3.193 -0.210) 4.855 50.330 ( -1.601 -2.002 -0.604) 2.634 50.330 ( -1.601 2.002 -0.604) 2.634 52.216 ( 7.165 -1.890 1.275) 7.519 52.216 ( 7.165 1.890 1.275) 7.519 52.433 ( -11.941 -5.742 -1.628) 13.349 52.433 ( -11.941 5.742 -1.628) 13.349 54.954 ( 2.064 -8.404 0.151) 8.655 54.954 ( 2.064 8.404 0.151) 8.655 55.008 ( -2.789 -7.982 1.444) 8.577 55.008 ( -2.789 7.982 1.444) 8.577 61.036 ( 0.827 -10.480 -0.531) 10.526 61.036 ( 0.827 10.480 -0.531) 10.526 61.056 ( -0.771 -9.500 -0.854) 9.570 61.056 ( -0.771 9.500 -0.854) 9.570 61.164 ( 2.246 -7.160 0.464) 7.518 61.164 ( 2.246 7.160 0.464) 7.518 61.189 ( 0.065 -7.683 -0.159) 7.685 61.189 ( 0.065 7.683 -0.159) 7.685 64.115 ( 0.600 -1.129 0.146) 1.287 64.115 ( 0.600 1.129 0.146) 1.287 64.123 ( -0.095 -1.157 0.070) 1.163 64.123 ( -0.095 1.157 0.070) 1.163 ======================= Grid point 110 (37/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 0.000 17.308) 17.308 0.829 ( 0.000 0.000 17.123) 17.123 1.118 ( 0.000 0.000 -12.505) 12.505 1.140 ( 0.000 0.000 -12.164) 12.164 1.464 ( 0.000 0.000 2.033) 2.033 1.533 ( 0.000 0.000 -4.365) 4.365 1.650 ( 0.000 0.000 30.320) 30.320 1.889 ( 0.000 0.000 8.607) 8.607 2.044 ( 0.000 0.000 -5.804) 5.804 2.180 ( 0.000 0.000 -12.849) 12.849 2.498 ( 0.000 0.000 9.987) 9.987 2.551 ( 0.000 0.000 -4.472) 4.472 2.802 ( 0.000 0.000 -7.669) 7.669 2.886 ( 0.000 0.000 -11.513) 11.513 2.972 ( 0.000 0.000 2.831) 2.831 3.034 ( 0.000 0.000 -3.026) 3.026 3.474 ( 0.000 0.000 2.371) 2.371 3.528 ( 0.000 0.000 -2.865) 2.865 3.858 ( 0.000 0.000 -0.137) 0.137 3.866 ( 0.000 0.000 -0.820) 0.820 4.185 ( 0.000 0.000 3.429) 3.429 4.275 ( 0.000 0.000 -4.987) 4.987 4.334 ( 0.000 0.000 6.305) 6.305 4.464 ( 0.000 0.000 -5.702) 5.702 4.719 ( 0.000 0.000 7.049) 7.049 4.748 ( 0.000 0.000 2.926) 2.926 4.833 ( 0.000 0.000 -1.822) 1.822 4.840 ( 0.000 0.000 0.746) 0.746 4.951 ( 0.000 0.000 -2.063) 2.063 4.956 ( 0.000 0.000 8.086) 8.086 4.988 ( 0.000 0.000 -7.361) 7.361 5.133 ( 0.000 0.000 -8.357) 8.357 5.470 ( 0.000 0.000 1.160) 1.160 5.497 ( 0.000 0.000 -1.294) 1.294 5.511 ( 0.000 0.000 2.851) 2.851 5.530 ( 0.000 0.000 0.515) 0.515 5.623 ( 0.000 0.000 -0.878) 0.878 5.645 ( 0.000 0.000 -2.261) 2.261 5.718 ( 0.000 0.000 7.483) 7.483 5.720 ( 0.000 0.000 4.353) 4.353 5.802 ( 0.000 0.000 -3.381) 3.381 5.897 ( 0.000 0.000 -8.966) 8.966 6.225 ( 0.000 0.000 6.669) 6.669 6.326 ( 0.000 0.000 -2.616) 2.616 6.716 ( 0.000 0.000 4.118) 4.118 6.817 ( 0.000 0.000 -5.041) 5.041 6.925 ( 0.000 0.000 3.021) 3.021 6.965 ( 0.000 0.000 -0.666) 0.666 7.336 ( 0.000 0.000 4.638) 4.638 7.433 ( 0.000 0.000 -4.261) 4.261 7.839 ( 0.000 0.000 7.150) 7.150 7.990 ( 0.000 0.000 -6.746) 6.746 12.579 ( 0.000 0.000 0.206) 0.206 12.585 ( 0.000 0.000 -0.281) 0.281 12.709 ( 0.000 0.000 0.836) 0.836 12.726 ( 0.000 0.000 -0.793) 0.793 13.021 ( 0.000 0.000 1.422) 1.422 13.053 ( 0.000 0.000 -1.550) 1.550 13.296 ( 0.000 0.000 3.309) 3.309 13.366 ( 0.000 0.000 -3.070) 3.070 20.211 ( 0.000 0.000 1.614) 1.614 20.246 ( 0.000 0.000 -1.598) 1.598 20.254 ( 0.000 0.000 0.705) 0.705 20.269 ( 0.000 0.000 -0.727) 0.727 20.756 ( 0.000 0.000 0.101) 0.101 20.760 ( 0.000 0.000 -0.227) 0.227 20.784 ( 0.000 0.000 0.167) 0.167 20.786 ( 0.000 0.000 -0.010) 0.010 20.828 ( 0.000 0.000 0.130) 0.130 20.830 ( 0.000 0.000 -0.056) 0.056 20.851 ( 0.000 0.000 0.212) 0.212 20.856 ( 0.000 0.000 -0.268) 0.268 22.434 ( 0.000 0.000 1.058) 1.058 22.457 ( 0.000 0.000 -1.043) 1.043 22.518 ( 0.000 0.000 0.831) 0.831 22.536 ( 0.000 0.000 -0.900) 0.900 23.755 ( 0.000 0.000 0.058) 0.058 23.757 ( 0.000 0.000 -0.107) 0.107 23.792 ( 0.000 0.000 0.242) 0.242 23.796 ( 0.000 0.000 -0.171) 0.171 24.380 ( 0.000 0.000 0.937) 0.937 24.399 ( 0.000 0.000 -0.791) 0.791 24.513 ( 0.000 0.000 1.096) 1.096 24.537 ( 0.000 0.000 -1.106) 1.106 24.654 ( 0.000 0.000 0.044) 0.044 24.655 ( 0.000 0.000 -0.107) 0.107 24.705 ( 0.000 0.000 0.491) 0.491 24.715 ( 0.000 0.000 -0.444) 0.444 26.337 ( 0.000 0.000 0.101) 0.101 26.339 ( 0.000 0.000 -0.082) 0.082 26.350 ( 0.000 0.000 0.113) 0.113 26.353 ( 0.000 0.000 -0.119) 0.119 29.033 ( 0.000 0.000 1.449) 1.449 29.054 ( 0.000 0.000 -0.432) 0.432 29.062 ( 0.000 0.000 0.329) 0.329 29.079 ( 0.000 0.000 -1.326) 1.326 49.981 ( 0.000 0.000 2.214) 2.214 50.034 ( 0.000 0.000 -2.629) 2.629 50.553 ( 0.000 0.000 7.472) 7.472 50.711 ( 0.000 0.000 -7.100) 7.100 51.714 ( 0.000 0.000 5.253) 5.253 51.840 ( 0.000 0.000 -6.550) 6.550 52.612 ( 0.000 0.000 13.044) 13.044 52.889 ( 0.000 0.000 -12.622) 12.622 54.794 ( 0.000 0.000 19.741) 19.741 55.244 ( 0.000 0.000 -21.861) 21.861 56.059 ( 0.000 0.000 4.834) 4.834 56.168 ( 0.000 0.000 -5.257) 5.257 60.731 ( 0.000 0.000 0.271) 0.271 60.737 ( 0.000 0.000 -0.245) 0.245 60.798 ( 0.000 0.000 0.586) 0.586 60.811 ( 0.000 0.000 -0.560) 0.560 61.226 ( 0.000 0.000 0.134) 0.134 61.231 ( 0.000 0.000 -0.376) 0.376 61.284 ( 0.000 0.000 0.610) 0.610 61.288 ( 0.000 0.000 0.231) 0.231 64.078 ( 0.000 0.000 0.085) 0.085 64.088 ( 0.000 0.000 -0.709) 0.709 64.243 ( 0.000 0.000 2.068) 2.068 64.255 ( 0.000 0.000 0.961) 0.961 ======================= Grid point 111 (38/54) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 2.782 0.000 14.197) 14.467 0.944 ( 11.780 0.000 13.794) 18.140 1.110 ( -2.618 0.000 -8.795) 9.177 1.213 ( 8.360 0.000 -10.669) 13.554 1.473 ( 0.683 0.000 0.420) 0.802 1.526 ( -0.580 0.000 -4.208) 4.248 1.734 ( -3.759 0.000 18.535) 18.912 1.818 ( 5.643 0.000 17.594) 18.477 1.974 ( -6.800 0.000 -7.573) 10.178 2.259 ( 6.039 0.000 -12.647) 14.015 2.456 ( -2.132 0.000 9.389) 9.628 2.593 ( 1.733 0.000 -6.382) 6.613 2.849 ( 5.149 0.000 -3.709) 6.346 2.952 ( 5.061 0.000 -10.657) 11.798 2.971 ( -0.009 0.000 2.320) 2.320 3.021 ( -1.076 0.000 -2.392) 2.623 3.429 ( -4.217 0.000 1.971) 4.654 3.475 ( -5.076 0.000 -2.604) 5.705 3.852 ( -0.481 0.000 -0.222) 0.529 3.859 ( -0.574 0.000 -0.850) 1.025 4.175 ( -0.908 0.000 1.662) 1.894 4.228 ( -3.945 0.000 -3.300) 5.143 4.353 ( 1.632 0.000 5.659) 5.889 4.460 ( -0.449 0.000 -4.021) 4.046 4.467 ( -13.874 0.000 2.810) 14.156 4.536 ( -15.832 0.000 -3.378) 16.188 4.752 ( 3.310 0.000 6.254) 7.076 4.856 ( 1.529 0.000 -3.056) 3.417 4.962 ( 0.640 0.000 5.894) 5.928 5.073 ( 3.145 0.000 1.885) 3.667 5.105 ( -2.362 0.000 -7.169) 7.548 5.127 ( 3.115 0.000 -3.412) 4.620 5.380 ( -3.483 0.000 1.817) 3.928 5.414 ( -2.485 0.000 -1.042) 2.694 5.481 ( 0.922 0.000 1.492) 1.754 5.509 ( 0.800 0.000 -1.007) 1.285 5.679 ( 0.523 0.000 4.655) 4.685 5.726 ( 0.574 0.000 3.313) 3.362 5.795 ( -0.687 0.000 -3.006) 3.084 5.798 ( -2.774 0.000 -4.875) 5.609 5.916 ( 13.271 0.000 3.340) 13.685 5.990 ( 11.069 0.000 -2.185) 11.283 6.168 ( -2.130 0.000 5.685) 6.071 6.320 ( -0.700 0.000 -7.208) 7.242 6.748 ( 2.411 0.000 3.451) 4.209 6.828 ( 0.904 0.000 -3.320) 3.440 6.888 ( -2.539 0.000 3.695) 4.484 6.944 ( -1.851 0.000 -1.269) 2.245 7.374 ( 3.302 0.000 4.713) 5.755 7.469 ( 2.863 0.000 -3.834) 4.785 7.815 ( -1.951 0.000 6.230) 6.529 7.953 ( -3.324 0.000 -6.333) 7.152 12.580 ( 0.043 0.000 0.202) 0.206 12.585 ( -0.011 0.000 -0.250) 0.250 12.711 ( 0.217 0.000 0.649) 0.684 12.725 ( -0.107 0.000 -0.628) 0.637 13.031 ( 0.917 0.000 1.534) 1.788 13.063 ( 0.713 0.000 -1.300) 1.483 13.282 ( -0.897 0.000 3.280) 3.401 13.350 ( -1.436 0.000 -3.070) 3.389 20.214 ( 0.211 0.000 1.456) 1.471 20.240 ( -0.435 0.000 -0.473) 0.643 20.258 ( 0.221 0.000 -0.244) 0.329 20.268 ( -0.092 0.000 -0.740) 0.746 20.752 ( -0.315 0.000 0.358) 0.477 20.757 ( -0.234 0.000 -0.221) 0.322 20.781 ( -0.172 0.000 0.205) 0.268 20.784 ( -0.136 0.000 -0.116) 0.179 20.830 ( 0.169 0.000 0.146) 0.224 20.833 ( 0.197 0.000 -0.071) 0.209 20.849 ( -0.145 0.000 0.193) 0.242 20.854 ( -0.175 0.000 -0.257) 0.311 22.445 ( 0.715 0.000 0.470) 0.855 22.459 ( 0.151 0.000 -0.784) 0.798 22.521 ( 0.270 0.000 0.597) 0.655 22.536 ( -0.087 0.000 -0.726) 0.731 23.756 ( 0.088 0.000 0.173) 0.195 23.760 ( 0.187 0.000 -0.241) 0.305 23.789 ( -0.189 0.000 0.304) 0.358 23.795 ( -0.151 0.000 -0.214) 0.262 24.385 ( 0.424 0.000 1.039) 1.123 24.405 ( 0.431 0.000 -0.789) 0.899 24.497 ( -1.183 0.000 1.317) 1.770 24.520 ( -1.198 0.000 -0.866) 1.478 24.659 ( 0.518 0.000 -0.002) 0.518 24.660 ( 0.426 0.000 -0.051) 0.429 24.700 ( -0.411 0.000 0.433) 0.597 24.709 ( -0.510 0.000 -0.397) 0.647 26.335 ( -0.183 0.000 0.304) 0.355 26.339 ( -0.087 0.000 0.052) 0.101 26.345 ( -0.314 0.000 0.119) 0.336 26.350 ( -0.249 0.000 -0.236) 0.343 29.035 ( 0.208 0.000 1.394) 1.410 29.056 ( -0.242 0.000 0.898) 0.930 29.061 ( 0.363 0.000 -1.006) 1.069 29.081 ( 0.039 0.000 -1.365) 1.365 50.035 ( 4.777 0.000 2.704) 5.489 50.098 ( 5.637 0.000 -3.037) 6.403 50.498 ( -4.868 0.000 6.952) 8.487 50.646 ( -5.791 0.000 -6.657) 8.823 51.874 ( 10.705 0.000 4.224) 11.508 52.023 ( 15.029 0.000 -10.256) 18.195 52.607 ( -0.069 0.000 11.255) 11.255 52.887 ( -0.715 0.000 -13.993) 14.011 54.818 ( 2.682 0.000 19.980) 20.159 55.261 ( 1.678 0.000 -20.714) 20.782 55.773 ( -21.957 0.000 11.427) 24.752 55.978 ( -14.364 0.000 -8.365) 16.622 60.644 ( -4.554 0.000 0.052) 4.554 60.645 ( -4.493 0.000 -0.023) 4.493 60.893 ( 4.745 0.000 0.226) 4.750 60.898 ( 4.566 0.000 -0.207) 4.571 61.242 ( 1.096 0.000 0.988) 1.476 61.252 ( 1.379 0.000 -0.020) 1.379 61.305 ( 1.678 0.000 0.259) 1.698 61.312 ( 1.681 0.000 -0.142) 1.687 64.106 ( 2.149 0.000 1.262) 2.492 64.124 ( 2.257 0.000 -0.213) 2.267 64.250 ( 0.725 0.000 1.628) 1.782 64.266 ( 0.747 0.000 0.392) 0.844 ======================= Grid point 112 (39/54) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 4.286 0.000 7.096) 8.290 1.035 ( -4.106 0.000 -1.332) 4.317 1.219 ( 12.734 0.000 12.344) 17.735 1.428 ( 5.044 0.000 -1.403) 5.235 1.490 ( 0.872 0.000 -2.104) 2.278 1.510 ( -0.898 0.000 -3.608) 3.718 1.535 ( -4.498 0.000 3.967) 5.998 1.750 ( -12.185 0.000 -9.955) 15.735 2.094 ( 12.926 0.000 17.257) 21.561 2.307 ( -5.383 0.000 7.002) 8.833 2.480 ( 6.155 0.000 -6.119) 8.679 2.592 ( -2.559 0.000 -10.018) 10.340 2.975 ( 0.520 0.000 0.955) 1.087 2.994 ( -1.170 0.000 -0.829) 1.434 3.021 ( 9.838 0.000 -0.526) 9.852 3.090 ( 6.914 0.000 -6.599) 9.558 3.288 ( -8.396 0.000 -0.102) 8.396 3.313 ( -8.521 0.000 -2.544) 8.893 3.843 ( -0.186 0.000 -0.490) 0.524 3.846 ( -0.452 0.000 -0.765) 0.889 4.159 ( -0.032 0.000 -0.871) 0.871 4.169 ( 0.202 0.000 -1.782) 1.794 4.244 ( -6.850 0.000 -1.120) 6.941 4.264 ( -7.948 0.000 -2.746) 8.410 4.398 ( 2.208 0.000 3.570) 4.198 4.440 ( -1.499 0.000 -0.083) 1.501 4.877 ( 7.211 0.000 4.723) 8.620 4.921 ( 3.871 0.000 0.418) 3.894 4.990 ( 1.923 0.000 0.836) 2.097 5.043 ( -4.132 0.000 2.571) 4.867 5.044 ( -2.913 0.000 -4.003) 4.950 5.071 ( -6.011 0.000 0.122) 6.012 5.424 ( 5.841 0.000 2.377) 6.306 5.483 ( 7.704 0.000 -2.692) 8.161 5.505 ( 1.068 0.000 1.496) 1.838 5.519 ( -0.102 0.000 0.365) 0.379 5.585 ( -7.801 0.000 4.478) 8.995 5.671 ( -8.106 0.000 -3.396) 8.789 5.746 ( 1.176 0.000 0.678) 1.357 5.773 ( -1.221 0.000 -1.733) 2.120 6.082 ( 2.612 0.000 5.269) 5.881 6.116 ( 2.156 0.000 2.215) 3.091 6.261 ( 5.396 0.000 -3.668) 6.525 6.311 ( 0.126 0.000 -7.107) 7.108 6.798 ( 2.000 0.000 2.955) 3.568 6.838 ( -1.634 0.000 3.815) 4.150 6.857 ( 1.341 0.000 -2.263) 2.631 6.897 ( -2.130 0.000 -1.603) 2.666 7.463 ( 4.229 0.000 4.163) 5.934 7.518 ( 0.236 0.000 -0.134) 0.271 7.789 ( 0.772 0.000 1.279) 1.494 7.859 ( -4.686 0.000 -4.536) 6.522 12.581 ( 0.102 0.000 0.095) 0.140 12.584 ( -0.085 0.000 -0.109) 0.138 12.717 ( 0.263 0.000 0.228) 0.348 12.722 ( -0.191 0.000 -0.235) 0.303 13.056 ( 1.166 0.000 1.399) 1.821 13.072 ( -0.128 0.000 0.076) 0.149 13.277 ( 0.676 0.000 1.023) 1.226 13.309 ( -2.021 0.000 -1.883) 2.762 20.220 ( 0.384 0.000 1.015) 1.086 20.230 ( -0.474 0.000 0.367) 0.600 20.262 ( 0.182 0.000 -0.636) 0.662 20.266 ( -0.150 0.000 -0.742) 0.758 20.748 ( -0.002 0.000 0.328) 0.328 20.751 ( -0.275 0.000 -0.007) 0.276 20.779 ( 0.021 0.000 0.050) 0.055 20.781 ( -0.142 0.000 -0.118) 0.185 20.835 ( 0.230 0.000 0.165) 0.283 20.837 ( 0.120 0.000 -0.001) 0.120 20.846 ( -0.063 0.000 0.046) 0.078 20.849 ( -0.258 0.000 -0.207) 0.331 22.458 ( 0.406 0.000 -0.068) 0.412 22.462 ( 0.011 0.000 -0.377) 0.377 22.527 ( 0.272 0.000 0.150) 0.311 22.532 ( -0.199 0.000 -0.321) 0.378 23.759 ( 0.206 0.000 0.154) 0.257 23.762 ( -0.028 0.000 -0.141) 0.144 23.786 ( 0.021 0.000 0.166) 0.167 23.790 ( -0.239 0.000 -0.153) 0.284 24.397 ( 0.648 0.000 1.027) 1.215 24.409 ( -0.242 0.000 0.112) 0.267 24.480 ( -0.034 0.000 0.492) 0.493 24.494 ( -1.091 0.000 -0.653) 1.272 24.672 ( 0.672 0.000 0.099) 0.680 24.675 ( 0.820 0.000 -0.120) 0.829 24.688 ( -0.653 0.000 0.279) 0.710 24.694 ( -0.825 0.000 -0.275) 0.870 26.332 ( 0.001 0.000 0.523) 0.523 26.335 ( -0.204 0.000 0.443) 0.487 26.342 ( 0.028 0.000 -0.331) 0.332 26.344 ( -0.194 0.000 -0.359) 0.408 29.041 ( 0.340 0.000 1.277) 1.321 29.049 ( -0.351 0.000 1.093) 1.148 29.070 ( 0.435 0.000 -1.158) 1.237 29.078 ( -0.258 0.000 -1.310) 1.335 50.176 ( 7.739 0.000 3.975) 8.700 50.263 ( 8.652 0.000 -3.835) 9.464 50.357 ( -7.287 0.000 5.322) 9.024 50.476 ( -9.255 0.000 -5.493) 10.762 52.114 ( 10.226 0.000 8.036) 13.005 52.245 ( 0.897 0.000 0.177) 0.914 52.669 ( 7.119 0.000 -6.565) 9.684 52.828 ( -5.293 0.000 -15.927) 16.784 54.939 ( 9.112 0.000 20.067) 22.038 55.215 ( -13.162 0.000 10.813) 17.034 55.438 ( 1.720 0.000 -11.521) 11.648 55.647 ( -14.024 0.000 -15.288) 20.746 60.573 ( -1.730 0.000 0.029) 1.730 60.573 ( -1.780 0.000 -0.028) 1.780 60.969 ( 1.905 0.000 0.089) 1.907 60.970 ( 1.768 0.000 -0.047) 1.769 61.265 ( 0.891 0.000 1.745) 1.959 61.273 ( 0.347 0.000 1.085) 1.139 61.335 ( 0.884 0.000 -0.177) 0.902 61.340 ( 0.582 0.000 -0.446) 0.733 64.148 ( 1.315 0.000 2.637) 2.947 64.156 ( 0.565 0.000 2.091) 2.166 64.269 ( 0.804 0.000 0.292) 0.856 64.278 ( 0.125 0.000 -0.138) 0.186 ======================= Grid point 115 (40/54) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.000 6.313 15.659) 16.884 1.028 ( 0.000 13.417 13.072) 18.732 1.169 ( 0.000 8.221 -10.113) 13.033 1.335 ( 0.000 16.856 -11.667) 20.500 1.639 ( 0.000 15.205 3.136) 15.525 1.680 ( 0.000 12.956 -2.820) 13.259 1.743 ( 0.000 9.938 23.563) 25.573 1.921 ( 0.000 3.544 6.969) 7.818 2.034 ( 0.000 -1.200 -3.603) 3.798 2.171 ( 0.000 0.398 -8.661) 8.670 2.478 ( 0.000 -1.878 8.162) 8.375 2.553 ( 0.000 0.588 -6.942) 6.966 2.762 ( 0.000 -3.045 -3.660) 4.761 2.870 ( 0.000 -1.562 -10.589) 10.704 2.938 ( 0.000 -8.317 -1.499) 8.451 2.948 ( 0.000 -3.648 -2.597) 4.478 3.450 ( 0.000 -1.129 5.023) 5.149 3.567 ( 0.000 2.771 -5.900) 6.518 3.878 ( 0.000 0.873 -0.454) 0.984 3.879 ( 0.000 1.239 -0.646) 1.397 4.220 ( 0.000 2.800 4.409) 5.223 4.319 ( 0.000 3.720 -4.630) 5.939 4.359 ( 0.000 2.272 5.459) 5.913 4.478 ( 0.000 0.670 -5.305) 5.347 4.697 ( 0.000 -3.530 5.128) 6.225 4.711 ( 0.000 -1.489 6.961) 7.119 4.805 ( 0.000 -1.831 -2.445) 3.054 4.836 ( 0.000 0.099 1.062) 1.067 4.929 ( 0.000 -2.299 -2.647) 3.506 4.957 ( 0.000 -2.812 -7.151) 7.684 5.003 ( 0.000 2.642 3.193) 4.144 5.094 ( 0.000 -2.406 -4.269) 4.900 5.397 ( 0.000 -6.585 1.144) 6.683 5.421 ( 0.000 -6.851 -1.138) 6.945 5.503 ( 0.000 -4.665 2.719) 5.400 5.525 ( 0.000 -7.783 0.380) 7.792 5.581 ( 0.000 -0.115 -0.200) 0.231 5.585 ( 0.000 2.869 0.355) 2.891 5.711 ( 0.000 -0.269 6.840) 6.845 5.785 ( 0.000 3.282 -1.594) 3.649 5.818 ( 0.000 0.913 -0.742) 1.177 5.931 ( 0.000 3.544 -9.804) 10.424 6.234 ( 0.000 0.958 7.365) 7.427 6.322 ( 0.000 -1.483 -0.157) 1.491 6.657 ( 0.000 -4.014 2.081) 4.521 6.756 ( 0.000 -5.190 -6.066) 7.983 6.865 ( 0.000 -3.776 5.069) 6.321 6.941 ( 0.000 -1.651 -2.080) 2.656 7.473 ( 0.000 11.787 4.665) 12.676 7.565 ( 0.000 10.679 -3.660) 11.289 7.891 ( 0.000 4.989 6.735) 8.382 8.031 ( 0.000 3.878 -6.116) 7.242 12.658 ( 0.000 7.738 0.189) 7.740 12.664 ( 0.000 7.860 -0.321) 7.866 12.779 ( 0.000 6.928 0.761) 6.969 12.794 ( 0.000 6.616 -0.644) 6.647 13.013 ( 0.000 -0.701 1.196) 1.386 13.041 ( 0.000 -1.192 -1.389) 1.830 13.267 ( 0.000 -2.675 3.611) 4.494 13.338 ( 0.000 -2.668 -3.055) 4.056 20.219 ( 0.000 0.784 1.540) 1.728 20.253 ( 0.000 0.636 -1.534) 1.660 20.273 ( 0.000 1.602 -0.160) 1.610 20.277 ( 0.000 0.738 -0.430) 0.854 20.739 ( 0.000 -1.620 0.389) 1.666 20.746 ( 0.000 -1.357 -0.315) 1.393 20.770 ( 0.000 -1.389 0.196) 1.402 20.772 ( 0.000 -1.325 -0.046) 1.326 20.833 ( 0.000 0.399 0.035) 0.401 20.834 ( 0.000 0.279 -0.044) 0.283 20.855 ( 0.000 0.332 0.273) 0.430 20.861 ( 0.000 0.393 -0.317) 0.505 22.423 ( 0.000 -1.136 1.000) 1.514 22.444 ( 0.000 -1.275 -0.966) 1.600 22.502 ( 0.000 -1.505 0.815) 1.711 22.521 ( 0.000 -1.549 -0.879) 1.782 23.757 ( 0.000 0.130 0.090) 0.158 23.760 ( 0.000 0.235 -0.237) 0.334 23.793 ( 0.000 0.144 0.233) 0.274 23.797 ( 0.000 0.109 -0.148) 0.184 24.381 ( 0.000 0.078 0.840) 0.843 24.397 ( 0.000 -0.119 -0.705) 0.715 24.497 ( 0.000 -1.319 0.547) 1.428 24.502 ( 0.000 -2.448 0.318) 2.469 24.666 ( 0.000 1.016 0.408) 1.095 24.679 ( 0.000 1.397 -0.909) 1.667 24.715 ( 0.000 1.053 -0.018) 1.054 24.720 ( 0.000 0.479 -0.318) 0.575 26.327 ( 0.000 -1.013 0.104) 1.018 26.329 ( 0.000 -1.010 -0.083) 1.013 26.333 ( 0.000 -1.596 0.434) 1.654 26.340 ( 0.000 -1.306 -0.227) 1.326 29.031 ( 0.000 -0.234 1.365) 1.385 29.050 ( 0.000 -0.395 -0.409) 0.569 29.056 ( 0.000 -0.520 0.502) 0.723 29.075 ( 0.000 -0.391 -1.323) 1.380 50.196 ( 0.000 14.587 0.976) 14.620 50.278 ( 0.000 22.964 -8.151) 24.368 50.733 ( 0.000 17.879 4.321) 18.393 50.851 ( 0.000 12.908 -5.778) 14.142 51.596 ( 0.000 -10.966 4.728) 11.942 51.710 ( 0.000 -12.814 -5.852) 14.087 52.528 ( 0.000 -7.150 10.064) 12.345 52.750 ( 0.000 -13.112 -10.245) 16.640 54.773 ( 0.000 -1.716 18.537) 18.616 55.194 ( 0.000 -4.515 -20.407) 20.901 55.910 ( 0.000 -22.227 3.888) 22.564 55.921 ( 0.000 -12.776 1.391) 12.851 60.765 ( 0.000 1.478 -0.058) 1.479 60.768 ( 0.000 1.887 -0.396) 1.928 60.791 ( 0.000 -0.950 0.224) 0.976 60.791 ( 0.000 0.812 0.096) 0.817 61.247 ( 0.000 -0.081 0.548) 0.554 61.259 ( 0.000 0.739 -0.571) 0.934 61.320 ( 0.000 5.285 1.566) 5.512 61.346 ( 0.000 6.386 -0.933) 6.454 64.067 ( 0.000 -0.859 0.493) 0.991 64.083 ( 0.000 -0.427 -0.896) 0.993 64.224 ( 0.000 -1.792 1.943) 2.643 64.238 ( 0.000 -1.544 0.628) 1.666 ======================= Grid point 116 (41/54) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 10.648 6.390 12.767) 17.810 1.090 ( 5.102 16.226 11.275) 20.407 1.248 ( 6.773 6.939 -9.094) 13.294 1.327 ( -1.030 17.785 -8.904) 19.917 1.623 ( -0.997 12.706 -0.084) 12.745 1.645 ( -1.374 10.400 -1.373) 10.580 1.773 ( -6.155 3.981 14.941) 16.642 1.895 ( 5.808 8.194 13.302) 16.668 1.979 ( -5.211 1.184 -4.138) 6.759 2.241 ( 5.570 -0.813 -9.136) 10.731 2.422 ( -2.886 -3.053 7.685) 8.758 2.586 ( 0.775 -0.492 -8.595) 8.644 2.781 ( 1.921 -4.531 -0.692) 4.970 2.899 ( -0.001 -6.064 -6.023) 8.547 2.943 ( 2.948 -4.752 -2.311) 6.051 2.985 ( 2.846 -1.972 -4.729) 5.861 3.438 ( -1.147 1.618 4.735) 5.134 3.543 ( -2.423 5.542 -5.067) 7.891 3.871 ( -0.545 1.000 -0.187) 1.154 3.880 ( -0.190 1.530 -0.982) 1.828 4.191 ( -2.406 1.302 2.322) 3.588 4.251 ( -5.070 2.056 -2.919) 6.201 4.366 ( -5.084 -0.179 3.838) 6.372 4.429 ( -4.765 0.336 -0.289) 4.786 4.472 ( -9.910 -0.659 0.707) 9.957 4.549 ( -7.987 0.739 -4.406) 9.152 4.755 ( 2.797 0.243 6.108) 6.722 4.853 ( 1.338 -0.554 -2.464) 2.858 4.940 ( 1.262 -2.078 4.831) 5.408 5.028 ( -0.106 -4.770 -2.728) 5.496 5.074 ( 1.325 -0.722 0.605) 1.626 5.134 ( 3.093 -1.219 -4.952) 5.965 5.343 ( -4.821 -7.103 2.956) 9.079 5.385 ( -2.939 -6.819 -1.033) 7.497 5.415 ( -2.776 -0.066 1.470) 3.142 5.458 ( -1.254 -1.769 -2.385) 3.223 5.657 ( 5.676 -4.511 2.197) 7.576 5.666 ( 4.751 -3.540 2.446) 6.410 5.778 ( -1.213 -0.623 0.727) 1.546 5.872 ( -4.051 5.110 -5.010) 8.223 5.940 ( 11.666 1.789 3.288) 12.252 6.001 ( 9.719 0.966 -0.520) 9.781 6.188 ( -0.172 1.750 3.455) 3.877 6.334 ( -0.009 1.191 -7.052) 7.152 6.679 ( 2.127 -6.008 4.210) 7.639 6.783 ( 1.884 -3.673 -4.730) 6.278 6.844 ( -1.724 -3.225 4.741) 5.988 6.918 ( -1.952 -1.885 -2.064) 3.410 7.494 ( 1.993 10.672 4.399) 11.714 7.576 ( 1.036 9.282 -2.811) 9.753 7.875 ( -1.280 5.671 5.625) 8.089 7.998 ( -2.875 4.334 -5.582) 7.630 12.658 ( 0.036 7.752 0.210) 7.755 12.664 ( -0.018 7.855 -0.281) 7.861 12.780 ( 0.124 6.777 0.602) 6.805 12.792 ( -0.157 6.531 -0.493) 6.551 13.024 ( 0.966 -0.620 1.312) 1.743 13.052 ( 0.829 -1.031 -1.191) 1.780 13.256 ( -0.727 -2.454 3.266) 4.150 13.323 ( -1.412 -2.672 -2.946) 4.221 20.222 ( 0.243 0.815 1.381) 1.622 20.250 ( -0.292 0.836 -1.067) 1.387 20.270 ( -0.136 1.206 -0.179) 1.226 20.276 ( -0.126 0.710 -0.509) 0.883 20.736 ( -0.148 -1.442 0.472) 1.525 20.744 ( -0.166 -1.285 -0.298) 1.330 20.767 ( -0.161 -1.360 0.243) 1.391 20.771 ( -0.122 -1.314 -0.140) 1.327 20.835 ( 0.156 0.388 0.059) 0.423 20.836 ( 0.192 0.274 -0.048) 0.338 20.853 ( -0.171 0.310 0.227) 0.421 20.858 ( -0.255 0.328 -0.257) 0.488 22.431 ( 0.615 -1.290 0.546) 1.530 22.446 ( 0.117 -1.316 -0.730) 1.510 22.506 ( 0.254 -1.529 0.597) 1.661 22.520 ( -0.088 -1.551 -0.715) 1.710 23.758 ( 0.128 0.202 0.145) 0.280 23.762 ( 0.180 0.211 -0.271) 0.388 23.790 ( -0.201 0.135 0.288) 0.376 23.796 ( -0.159 0.098 -0.193) 0.269 24.385 ( 0.344 -0.008 0.913) 0.976 24.402 ( 0.293 -0.278 -0.639) 0.756 24.483 ( -0.845 -1.209 1.085) 1.831 24.499 ( -0.507 -1.636 -0.358) 1.750 24.670 ( 0.384 0.896 0.266) 1.010 24.679 ( 0.021 1.280 -0.592) 1.410 24.709 ( -0.514 0.859 0.174) 1.016 24.714 ( -0.494 0.516 -0.310) 0.779 26.324 ( -0.204 -1.042 0.355) 1.119 26.327 ( -0.131 -1.158 0.272) 1.196 26.332 ( -0.061 -1.188 -0.046) 1.191 26.337 ( -0.185 -1.235 -0.297) 1.283 29.033 ( 0.207 -0.231 1.322) 1.358 29.052 ( -0.199 -0.392 0.853) 0.959 29.056 ( 0.380 -0.458 -0.839) 1.029 29.076 ( -0.004 -0.474 -1.317) 1.399 50.254 ( 5.169 14.189 -0.388) 15.106 50.279 ( 1.275 19.870 -3.302) 20.183 50.664 ( -5.482 16.142 5.800) 18.007 50.794 ( -5.415 14.527 -6.268) 16.723 51.742 ( 9.877 -12.625 3.542) 16.416 51.866 ( 12.957 -15.295 -8.220) 21.665 52.505 ( -1.713 -9.168 8.259) 12.458 52.728 ( -2.269 -15.077 -11.479) 19.085 54.797 ( 2.446 -1.772 18.724) 18.966 55.208 ( 0.991 -4.977 -18.582) 19.262 55.610 ( -18.694 -14.548 13.123) 27.080 55.831 ( -10.885 -12.712 -8.027) 18.561 60.713 ( -2.403 5.664 0.410) 6.166 60.722 ( -2.216 5.946 -0.413) 6.359 60.845 ( 2.859 -3.486 0.220) 4.513 60.856 ( 2.971 -2.813 -0.784) 4.166 61.278 ( 2.490 0.326 1.026) 2.713 61.298 ( 2.771 1.132 -0.717) 3.078 61.328 ( 0.650 4.970 1.437) 5.214 61.353 ( 0.640 5.636 -0.845) 5.735 64.094 ( 2.105 -1.006 1.411) 2.727 64.115 ( 2.166 -0.707 -0.310) 2.300 64.230 ( 0.710 -1.808 1.573) 2.499 64.249 ( 0.742 -1.622 0.134) 1.789 ======================= Grid point 117 (42/54) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 4.678 18.068 6.726) 19.839 1.253 ( -2.506 17.605 -0.920) 17.806 1.275 ( 10.062 8.200 9.960) 16.361 1.453 ( 5.510 3.306 -2.207) 6.794 1.572 ( -4.707 4.368 4.796) 8.015 1.619 ( 0.572 10.665 -2.546) 10.979 1.633 ( -1.162 10.929 -2.021) 11.175 1.768 ( -11.358 2.351 -8.209) 14.210 2.128 ( 10.483 3.856 13.579) 17.583 2.296 ( -4.059 -0.505 4.140) 5.820 2.439 ( 6.285 -3.742 -2.233) 7.648 2.561 ( -3.435 -2.647 -8.678) 9.702 2.824 ( 1.837 -7.974 -0.153) 8.184 2.867 ( -2.061 -8.474 -1.711) 8.887 3.044 ( 4.425 -4.191 -4.258) 7.435 3.060 ( 2.950 -3.098 -4.980) 6.565 3.408 ( -0.737 9.881 2.734) 10.279 3.458 ( -4.750 12.256 -1.755) 13.261 3.859 ( -0.259 0.426 -0.509) 0.712 3.867 ( -0.804 1.135 -1.128) 1.790 4.143 ( -1.715 -2.233 -1.037) 3.001 4.147 ( -2.074 -0.961 -1.138) 2.553 4.198 ( -5.103 -2.775 -0.866) 5.873 4.221 ( -7.054 -2.246 -2.675) 7.871 4.460 ( 1.922 4.487 2.735) 5.595 4.497 ( -1.338 3.970 -0.471) 4.216 4.858 ( 5.813 -1.519 4.846) 7.719 4.909 ( 2.550 -1.500 0.310) 2.975 4.978 ( 2.480 -1.760 0.989) 3.198 4.998 ( -1.698 -3.147 -0.956) 3.702 5.042 ( -3.151 -0.261 3.534) 4.742 5.100 ( -5.291 1.020 -1.583) 5.616 5.306 ( 0.645 -11.154 0.371) 11.179 5.322 ( -1.075 -9.456 -0.785) 9.549 5.434 ( 2.556 -4.172 1.333) 5.071 5.467 ( 0.505 -4.912 -1.333) 5.115 5.679 ( -1.460 4.814 3.642) 6.210 5.720 ( -2.696 0.895 0.962) 2.999 5.763 ( 1.885 1.004 -1.200) 2.450 5.805 ( -1.481 3.638 -3.885) 5.525 6.065 ( 2.914 -1.688 5.886) 6.781 6.118 ( 0.835 0.023 1.750) 1.939 6.297 ( 5.255 3.391 -4.145) 7.503 6.342 ( 0.818 3.151 -7.081) 7.794 6.739 ( 2.985 -5.431 4.207) 7.490 6.799 ( -2.416 -3.567 3.859) 5.784 6.823 ( 1.772 -3.017 -3.044) 4.637 6.867 ( -2.357 -2.514 -2.160) 4.067 7.552 ( 2.897 8.326 3.508) 9.488 7.593 ( -0.266 7.214 0.261) 7.223 7.861 ( 0.822 6.659 1.310) 6.836 7.919 ( -3.855 5.623 -3.599) 7.709 12.660 ( 0.112 7.794 0.114) 7.795 12.662 ( -0.098 7.837 -0.115) 7.838 12.783 ( 0.187 6.517 0.247) 6.524 12.788 ( -0.201 6.428 -0.147) 6.433 13.050 ( 1.172 -0.515 1.232) 1.777 13.065 ( 0.003 -0.657 0.020) 0.657 13.252 ( 0.631 -2.446 0.987) 2.712 13.283 ( -1.958 -2.584 -1.794) 3.705 20.229 ( 0.443 0.902 0.904) 1.352 20.240 ( -0.519 0.990 0.073) 1.120 20.270 ( 0.076 0.743 -0.524) 0.912 20.273 ( -0.162 0.659 -0.610) 0.912 20.735 ( 0.073 -1.224 0.331) 1.270 20.739 ( -0.253 -1.183 -0.043) 1.211 20.765 ( 0.037 -1.346 0.085) 1.349 20.768 ( -0.156 -1.317 -0.118) 1.332 20.839 ( 0.215 0.364 0.100) 0.435 20.841 ( 0.166 0.301 -0.019) 0.345 20.849 ( -0.112 0.254 0.079) 0.289 20.852 ( -0.298 0.234 -0.171) 0.416 22.443 ( 0.395 -1.411 0.025) 1.465 22.448 ( -0.020 -1.390 -0.328) 1.428 22.512 ( 0.272 -1.546 0.151) 1.577 22.517 ( -0.198 -1.548 -0.321) 1.594 23.762 ( 0.217 0.268 0.137) 0.372 23.765 ( -0.002 0.258 -0.140) 0.293 23.787 ( -0.000 0.087 0.158) 0.180 23.791 ( -0.246 0.076 -0.148) 0.297 24.394 ( 0.513 -0.231 0.875) 1.040 24.404 ( -0.218 -0.438 0.146) 0.511 24.473 ( 0.054 -0.668 0.391) 0.776 24.483 ( -0.755 -0.921 -0.485) 1.286 24.682 ( 0.640 0.640 0.027) 0.906 24.683 ( 0.401 0.898 -0.133) 0.993 24.696 ( -0.555 0.777 0.162) 0.968 24.700 ( -0.738 0.618 -0.205) 0.985 26.322 ( -0.002 -1.035 0.525) 1.161 26.324 ( -0.158 -1.073 0.426) 1.166 26.331 ( 0.031 -1.064 -0.335) 1.116 26.333 ( -0.147 -1.118 -0.368) 1.186 29.039 ( 0.324 -0.250 1.215) 1.282 29.046 ( -0.315 -0.300 1.041) 1.128 29.065 ( 0.422 -0.482 -1.071) 1.248 29.073 ( -0.246 -0.505 -1.239) 1.360 50.359 ( 5.858 15.786 1.939) 16.949 50.411 ( 8.179 12.464 -2.608) 15.134 50.521 ( -6.580 17.051 4.589) 18.844 50.628 ( -9.200 15.349 -5.097) 18.606 51.964 ( 9.439 -14.495 6.627) 18.523 52.075 ( 1.988 -16.689 -0.687) 16.821 52.509 ( 3.986 -14.920 -4.786) 16.168 52.640 ( -5.808 -17.844 -13.156) 22.918 54.897 ( 7.217 -3.534 18.886) 20.525 55.119 ( -11.809 -8.030 12.217) 18.793 55.381 ( 2.764 -5.312 -11.416) 12.891 55.561 ( -11.789 -7.830 -14.736) 20.432 60.677 ( -0.775 8.858 0.270) 8.895 60.682 ( -1.181 9.102 -0.218) 9.181 60.893 ( 1.311 -5.507 -0.056) 5.661 60.898 ( 0.850 -5.037 -0.591) 5.142 61.325 ( 1.295 0.989 1.059) 1.944 61.336 ( 0.175 1.227 0.486) 1.331 61.354 ( 1.668 5.224 0.374) 5.496 61.368 ( 0.347 5.228 -0.508) 5.264 64.137 ( 1.388 -1.036 2.552) 3.084 64.147 ( 0.492 -0.854 1.905) 2.145 64.251 ( 0.903 -1.749 0.177) 1.977 64.260 ( 0.128 -1.662 -0.310) 1.695 ======================= Grid point 120 (43/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 11.943 11.886) 16.850 1.197 ( 0.000 7.128 2.851) 7.677 1.427 ( 0.000 13.321 -0.122) 13.321 1.612 ( 0.000 6.136 -10.702) 12.337 1.883 ( 0.000 5.332 1.457) 5.528 1.903 ( 0.000 4.036 1.886) 4.455 2.011 ( 0.000 20.374 13.157) 24.253 2.100 ( 0.000 15.845 2.329) 16.015 2.109 ( 0.000 13.200 -0.156) 13.201 2.243 ( 0.000 7.571 -3.573) 8.372 2.441 ( 0.000 -1.068 5.625) 5.726 2.590 ( 0.000 3.321 -9.638) 10.194 2.705 ( 0.000 -2.695 1.619) 3.144 2.757 ( 0.000 -8.721 0.094) 8.721 2.841 ( 0.000 -1.777 -8.134) 8.326 2.844 ( 0.000 -5.391 -5.688) 7.837 3.445 ( 0.000 0.093 6.418) 6.418 3.596 ( 0.000 -0.359 -7.367) 7.376 3.888 ( 0.000 -0.216 -1.814) 1.827 3.891 ( 0.000 0.508 -2.112) 2.172 4.249 ( 0.000 -0.364 5.577) 5.589 4.371 ( 0.000 0.432 -4.710) 4.730 4.411 ( 0.000 2.729 2.736) 3.865 4.467 ( 0.000 -1.745 -2.385) 2.955 4.648 ( 0.000 -3.899 6.951) 7.970 4.671 ( 0.000 0.736 6.698) 6.738 4.801 ( 0.000 0.881 -2.907) 3.037 4.820 ( 0.000 -1.945 2.728) 3.350 4.869 ( 0.000 -3.503 -2.019) 4.044 4.872 ( 0.000 -5.837 -9.730) 11.347 5.047 ( 0.000 1.888 -0.269) 1.907 5.070 ( 0.000 -0.230 -1.635) 1.651 5.251 ( 0.000 -7.442 0.552) 7.463 5.264 ( 0.000 -8.354 -0.897) 8.401 5.368 ( 0.000 -6.184 0.931) 6.254 5.373 ( 0.000 -6.960 0.259) 6.965 5.619 ( 0.000 0.291 1.451) 1.480 5.620 ( 0.000 2.033 1.323) 2.426 5.712 ( 0.000 0.256 7.055) 7.059 5.824 ( 0.000 0.497 -4.949) 4.974 5.828 ( 0.000 0.203 3.465) 3.471 6.022 ( 0.000 5.223 -10.948) 12.130 6.249 ( 0.000 -5.205 6.722) 8.501 6.254 ( 0.000 0.850 8.090) 8.134 6.605 ( 0.000 -2.177 -2.768) 3.522 6.652 ( 0.000 -4.955 -7.971) 9.385 6.831 ( 0.000 0.855 4.207) 4.293 6.921 ( 0.000 -0.170 -3.427) 3.431 7.726 ( 0.000 13.365 3.584) 13.837 7.783 ( 0.000 11.177 -1.294) 11.251 8.013 ( 0.000 6.956 5.835) 9.080 8.126 ( 0.000 5.477 -4.642) 7.179 12.854 ( 0.000 11.223 0.811) 11.252 12.869 ( 0.000 12.505 -0.591) 12.519 12.944 ( 0.000 5.637 0.445) 5.655 12.952 ( 0.000 8.789 -0.174) 8.790 13.018 ( 0.000 0.468 -0.231) 0.522 13.019 ( 0.000 4.141 -0.128) 4.143 13.210 ( 0.000 -2.601 2.940) 3.925 13.270 ( 0.000 -4.067 -2.637) 4.847 20.240 ( 0.000 1.287 1.348) 1.863 20.269 ( 0.000 1.046 -1.364) 1.718 20.294 ( 0.000 0.884 0.058) 0.886 20.303 ( 0.000 1.346 -0.907) 1.623 20.701 ( 0.000 -2.160 0.597) 2.241 20.711 ( 0.000 -2.104 -0.388) 2.139 20.734 ( 0.000 -2.158 0.219) 2.169 20.738 ( 0.000 -2.086 -0.150) 2.091 20.840 ( 0.000 0.330 0.045) 0.333 20.842 ( 0.000 0.461 -0.112) 0.474 20.861 ( 0.000 0.284 0.291) 0.407 20.868 ( 0.000 0.202 -0.244) 0.317 22.394 ( 0.000 -1.763 0.838) 1.953 22.411 ( 0.000 -2.000 -0.789) 2.150 22.462 ( 0.000 -2.509 0.753) 2.619 22.479 ( 0.000 -2.624 -0.805) 2.745 23.759 ( 0.000 0.153 0.120) 0.194 23.764 ( 0.000 0.151 -0.306) 0.341 23.797 ( 0.000 0.224 0.210) 0.307 23.800 ( 0.000 0.163 -0.082) 0.183 24.383 ( 0.000 0.191 0.574) 0.605 24.395 ( 0.000 -0.131 -0.484) 0.501 24.462 ( 0.000 -1.661 0.834) 1.858 24.470 ( 0.000 -1.378 -0.061) 1.380 24.685 ( 0.000 0.917 0.582) 1.086 24.698 ( 0.000 0.626 -0.432) 0.760 24.730 ( 0.000 0.539 -0.075) 0.544 24.736 ( 0.000 0.820 -0.751) 1.112 26.297 ( 0.000 -1.990 0.600) 2.078 26.300 ( 0.000 -1.677 0.100) 1.680 26.302 ( 0.000 -1.679 -0.084) 1.681 26.307 ( 0.000 -1.968 -0.355) 1.999 29.025 ( 0.000 -0.324 1.152) 1.196 29.040 ( 0.000 -0.576 -0.314) 0.656 29.045 ( 0.000 -0.543 0.556) 0.778 29.065 ( 0.000 -0.632 -1.244) 1.395 50.479 ( 0.000 11.113 4.584) 12.022 50.631 ( 0.000 10.615 -9.255) 14.083 50.999 ( 0.000 -7.892 1.736) 8.080 51.041 ( 0.000 1.895 -3.461) 3.946 51.451 ( 0.000 -4.946 0.133) 4.947 51.478 ( 0.000 8.272 -2.376) 8.607 52.443 ( 0.000 1.294 -1.746) 2.173 52.476 ( 0.000 -11.680 -3.229) 12.118 54.748 ( 0.000 -0.330 15.410) 15.414 55.097 ( 0.000 -4.855 -16.821) 17.508 55.486 ( 0.000 -18.564 12.344) 22.293 55.639 ( 0.000 -14.573 -3.586) 15.008 60.736 ( 0.000 -1.404 1.888) 2.353 60.767 ( 0.000 0.187 -1.160) 1.175 60.836 ( 0.000 3.125 0.781) 3.221 60.853 ( 0.000 3.280 -0.826) 3.382 61.237 ( 0.000 -0.773 0.425) 0.882 61.257 ( 0.000 -0.550 -1.335) 1.444 61.428 ( 0.000 4.031 1.895) 4.454 61.459 ( 0.000 3.648 -0.986) 3.779 64.057 ( 0.000 -0.050 0.450) 0.453 64.075 ( 0.000 -0.215 -1.084) 1.105 64.183 ( 0.000 -2.216 1.777) 2.841 64.203 ( 0.000 -1.926 -0.087) 1.928 ======================= Grid point 121 (44/54) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 9.794 10.774 9.397) 17.329 1.285 ( 7.897 6.477 2.099) 10.428 1.504 ( 6.049 14.348 0.415) 15.577 1.664 ( 3.470 9.969 -9.920) 14.485 1.787 ( -6.008 4.419 3.566) 8.267 1.836 ( -5.412 6.206 0.856) 8.279 1.956 ( -3.737 16.377 7.271) 18.304 2.055 ( -4.554 11.477 -1.977) 12.505 2.172 ( 3.549 15.899 5.652) 17.243 2.288 ( 3.641 6.131 0.470) 7.146 2.365 ( -3.891 -1.256 2.364) 4.723 2.572 ( -2.627 -1.443 -10.835) 11.242 2.711 ( 0.133 -2.351 0.797) 2.486 2.751 ( -0.968 -7.305 0.552) 7.389 2.854 ( 4.324 -3.620 -3.309) 6.538 2.928 ( 3.707 -2.943 -7.118) 8.548 3.481 ( 3.322 1.907 6.736) 7.749 3.630 ( 2.780 2.470 -6.861) 7.804 3.874 ( -1.470 -0.873 -0.873) 1.920 3.895 ( -0.181 -0.024 -2.903) 2.909 4.201 ( -4.188 -0.419 3.261) 5.325 4.275 ( -6.510 0.213 -3.221) 7.266 4.361 ( -9.950 0.697 5.238) 11.266 4.459 ( -13.392 0.503 -2.172) 13.576 4.484 ( 1.537 2.560 0.703) 3.067 4.548 ( -2.486 -0.912 -3.644) 4.504 4.741 ( 2.731 -2.164 6.396) 7.283 4.827 ( 0.246 -1.948 -1.043) 2.224 4.885 ( 0.917 -3.469 2.551) 4.402 4.928 ( -0.336 -5.989 -1.494) 6.182 5.055 ( -1.008 -0.403 0.936) 1.433 5.113 ( 2.882 -0.202 -4.948) 5.730 5.168 ( -4.398 -8.705 3.029) 10.212 5.217 ( -2.200 -8.587 -1.884) 9.062 5.426 ( -4.099 -0.169 1.019) 4.227 5.450 ( -3.698 0.170 -1.268) 3.913 5.556 ( 6.247 -4.999 0.722) 8.034 5.578 ( 7.644 -5.162 -0.513) 9.238 5.779 ( -0.017 0.471 7.012) 7.028 5.954 ( -0.185 1.965 -5.688) 6.021 5.959 ( 6.740 -0.040 2.864) 7.323 6.026 ( 5.772 2.337 3.234) 7.017 6.223 ( 4.549 1.573 -1.266) 4.977 6.347 ( 3.458 -0.152 -3.591) 4.988 6.567 ( -0.262 -4.531 3.654) 5.827 6.702 ( 2.120 -4.658 -6.044) 7.920 6.812 ( -1.753 0.607 3.161) 3.665 6.891 ( -2.569 -0.561 -3.161) 4.112 7.731 ( 0.504 12.728 3.277) 13.152 7.778 ( -0.314 10.846 -0.716) 10.874 8.008 ( -0.296 7.431 4.707) 8.801 8.103 ( -1.970 5.992 -3.985) 7.461 12.856 ( 0.200 11.456 0.754) 11.482 12.869 ( 0.009 12.580 -0.477) 12.589 12.936 ( -0.462 5.808 0.611) 5.859 12.946 ( -0.491 7.808 -0.182) 7.826 13.032 ( 1.218 3.396 0.193) 3.613 13.040 ( 1.532 1.886 -0.575) 2.497 13.200 ( -0.760 -2.696 2.557) 3.792 13.255 ( -1.392 -4.070 -2.447) 4.949 20.243 ( 0.292 1.304 1.186) 1.787 20.269 ( -0.081 1.100 -1.182) 1.616 20.292 ( -0.172 0.892 -0.066) 0.911 20.297 ( -0.485 1.287 -0.579) 1.493 20.701 ( 0.048 -2.068 0.548) 2.140 20.711 ( -0.053 -2.038 -0.374) 2.073 20.732 ( -0.149 -2.140 0.279) 2.163 20.737 ( -0.122 -2.100 -0.188) 2.112 20.842 ( 0.183 0.320 0.032) 0.370 20.843 ( 0.136 0.445 -0.083) 0.473 20.859 ( -0.183 0.294 0.227) 0.414 20.864 ( -0.289 0.225 -0.191) 0.413 22.399 ( 0.408 -1.916 0.585) 2.044 22.412 ( 0.043 -2.047 -0.597) 2.132 22.465 ( 0.222 -2.534 0.560) 2.604 22.478 ( -0.083 -2.618 -0.663) 2.702 23.762 ( 0.224 0.214 0.136) 0.338 23.767 ( 0.223 0.195 -0.285) 0.410 23.794 ( -0.236 0.205 0.256) 0.404 23.798 ( -0.185 0.144 -0.135) 0.271 24.385 ( 0.174 0.088 0.607) 0.637 24.396 ( 0.066 -0.262 -0.349) 0.442 24.458 ( -0.208 -1.253 0.794) 1.498 24.469 ( -0.149 -1.372 -0.267) 1.406 24.688 ( 0.236 0.865 0.440) 0.999 24.698 ( 0.026 0.707 -0.385) 0.805 24.724 ( -0.525 0.613 -0.011) 0.807 24.729 ( -0.532 0.836 -0.508) 1.114 26.295 ( -0.087 -1.832 0.574) 1.922 26.299 ( -0.098 -1.677 0.203) 1.692 26.303 ( 0.023 -1.720 -0.184) 1.730 26.306 ( -0.074 -1.904 -0.362) 1.940 29.027 ( 0.194 -0.336 1.127) 1.191 29.043 ( -0.114 -0.499 0.689) 0.858 29.045 ( 0.327 -0.639 -0.538) 0.896 29.064 ( -0.080 -0.679 -1.199) 1.380 50.526 ( 4.199 10.278 2.140) 11.307 50.601 ( -0.984 9.642 -4.769) 10.802 50.953 ( -2.449 4.993 5.363) 7.726 51.088 ( -0.238 5.340 -7.739) 9.405 51.502 ( 5.004 -5.359 1.633) 7.512 51.552 ( 6.534 -6.839 -2.854) 9.880 52.357 ( -6.912 -2.785 -1.247) 7.556 52.406 ( -5.989 -14.155 -4.364) 15.978 54.770 ( 1.999 -0.548 15.399) 15.538 55.096 ( -1.003 -5.771 -12.340) 13.660 55.330 ( -9.662 -12.076 12.095) 19.633 55.568 ( -6.862 -13.116 -8.604) 17.122 60.744 ( 0.978 -1.246 2.655) 3.092 60.796 ( 1.544 -0.920 -2.244) 2.875 60.836 ( 0.219 4.570 1.416) 4.789 60.873 ( 1.172 3.757 -1.791) 4.324 61.273 ( 2.942 -0.627 0.730) 3.095 61.299 ( 3.006 -0.438 -1.599) 3.433 61.431 ( 0.370 3.602 1.514) 3.925 61.455 ( -0.245 3.344 -0.769) 3.440 64.077 ( 1.708 -0.543 1.340) 2.237 64.102 ( 1.819 -0.554 -0.642) 2.007 64.189 ( 0.652 -2.214 1.410) 2.705 64.211 ( 0.591 -2.075 -0.364) 2.188 ======================= Grid point 122 (45/54) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 9.712 7.838 8.884) 15.319 1.492 ( 9.196 7.505 0.093) 11.870 1.563 ( -5.661 8.955 4.810) 11.635 1.639 ( -3.182 13.718 -2.015) 14.225 1.731 ( 1.509 11.702 3.096) 12.198 1.799 ( 2.757 9.922 -4.397) 11.198 1.875 ( -3.217 13.151 -1.472) 13.619 1.901 ( -7.979 11.262 -3.990) 14.368 2.249 ( 3.248 7.744 5.739) 10.172 2.304 ( -1.948 -0.301 4.114) 4.562 2.398 ( 5.824 3.069 -2.070) 6.901 2.507 ( -3.500 -2.574 -7.516) 8.682 2.705 ( -0.346 -3.721 1.117) 3.900 2.718 ( -1.564 -6.237 1.006) 6.508 2.955 ( 3.586 -3.723 -4.269) 6.704 2.983 ( 0.993 -3.673 -5.836) 6.967 3.584 ( 5.734 6.152 5.775) 10.202 3.677 ( -0.474 8.761 -1.563) 8.912 3.830 ( -1.052 -3.293 -2.030) 4.009 3.866 ( -2.494 -0.930 -4.163) 4.941 4.085 ( -4.196 -2.447 0.493) 4.882 4.109 ( -6.489 -1.914 -1.414) 6.912 4.206 ( -2.403 3.214 0.399) 4.033 4.235 ( -5.218 3.062 -2.059) 6.391 4.526 ( 1.729 1.660 1.766) 2.977 4.549 ( -0.236 1.022 -0.276) 1.085 4.822 ( 4.459 -3.033 4.324) 6.912 4.866 ( 2.122 -2.850 0.814) 3.645 4.900 ( 0.497 -5.162 1.317) 5.350 4.910 ( -0.827 -5.808 0.186) 5.869 5.025 ( -2.637 -3.336 3.729) 5.656 5.048 ( -3.026 -7.293 1.878) 8.116 5.147 ( -0.549 -4.937 -1.484) 5.184 5.168 ( -2.235 -1.660 -3.242) 4.273 5.365 ( 0.219 -2.887 0.186) 2.901 5.391 ( -1.653 -2.503 -1.895) 3.548 5.684 ( 4.105 -3.049 2.595) 5.734 5.736 ( 1.499 -1.324 3.250) 3.816 5.763 ( 2.675 0.266 -1.112) 2.910 5.880 ( -5.031 2.559 -6.209) 8.391 6.031 ( 3.851 -0.911 7.877) 8.815 6.114 ( -1.203 -0.036 1.686) 2.072 6.377 ( 6.057 4.412 -5.390) 9.230 6.419 ( 2.511 4.002 -7.140) 8.562 6.621 ( 4.357 -5.816 6.603) 9.818 6.712 ( -2.389 -4.933 1.833) 5.780 6.773 ( -0.066 -1.567 -2.567) 3.009 6.822 ( -3.370 -1.744 -3.294) 5.025 7.750 ( 1.099 11.185 2.461) 11.505 7.770 ( -0.587 10.285 0.846) 10.337 8.011 ( 0.877 8.042 1.558) 8.239 8.050 ( -2.489 7.250 -1.948) 7.909 12.862 ( 0.315 12.039 0.471) 12.052 12.868 ( -0.174 12.570 -0.067) 12.572 12.930 ( -0.029 5.988 0.509) 6.009 12.935 ( -0.440 6.775 0.101) 6.790 13.061 ( 1.213 3.646 0.381) 3.862 13.070 ( 0.724 2.951 -0.326) 3.056 13.190 ( 0.201 -3.618 0.848) 3.721 13.216 ( -1.886 -4.106 -1.501) 4.761 20.252 ( 0.516 1.345 0.670) 1.589 20.264 ( -0.443 1.300 -0.315) 1.410 20.288 ( -0.133 0.989 -0.321) 1.048 20.289 ( -0.189 0.949 -0.391) 1.044 20.703 ( 0.178 -1.935 0.316) 1.968 20.708 ( -0.202 -1.921 -0.099) 1.934 20.730 ( 0.050 -2.148 0.137) 2.153 20.733 ( -0.179 -2.124 -0.116) 2.135 20.847 ( 0.222 0.332 -0.003) 0.399 20.847 ( 0.199 0.390 -0.017) 0.438 20.855 ( -0.174 0.303 0.087) 0.360 20.857 ( -0.324 0.247 -0.098) 0.419 22.408 ( 0.332 -2.100 0.161) 2.132 22.412 ( -0.074 -2.121 -0.220) 2.134 22.471 ( 0.258 -2.569 0.139) 2.586 22.476 ( -0.186 -2.597 -0.309) 2.622 23.768 ( 0.283 0.336 0.129) 0.458 23.771 ( 0.087 0.333 -0.138) 0.371 23.789 ( -0.075 0.104 0.156) 0.201 23.792 ( -0.280 0.090 -0.128) 0.321 24.390 ( 0.262 -0.153 0.555) 0.633 24.395 ( -0.159 -0.350 0.156) 0.415 24.457 ( 0.158 -0.915 0.239) 0.959 24.463 ( -0.349 -1.084 -0.292) 1.176 24.695 ( 0.420 0.704 0.172) 0.838 24.700 ( 0.139 0.745 -0.247) 0.797 24.712 ( -0.407 0.774 0.114) 0.882 24.716 ( -0.572 0.871 -0.257) 1.073 26.294 ( 0.036 -1.688 0.486) 1.757 26.296 ( -0.116 -1.676 0.351) 1.717 26.303 ( 0.012 -1.737 -0.313) 1.765 26.304 ( -0.059 -1.794 -0.352) 1.830 29.033 ( 0.286 -0.374 1.036) 1.138 29.039 ( -0.253 -0.428 0.876) 1.008 29.053 ( 0.394 -0.711 -0.844) 1.172 29.061 ( -0.250 -0.724 -1.066) 1.313 50.624 ( 2.513 7.821 0.023) 8.215 50.631 ( 3.512 6.805 -0.523) 7.675 50.908 ( -0.086 16.200 3.292) 16.531 50.999 ( -6.472 16.194 -5.010) 18.145 51.645 ( 6.512 -12.815 2.815) 14.648 51.692 ( 3.638 -16.631 -0.928) 17.049 52.215 ( -3.729 -11.011 -3.032) 12.014 52.257 ( -6.292 -17.081 -5.805) 19.106 54.840 ( 4.595 -1.722 15.227) 15.998 54.980 ( -8.000 -5.184 11.614) 15.025 55.261 ( 3.089 -6.432 -9.733) 12.068 55.390 ( -8.000 -8.895 -12.644) 17.407 60.773 ( 1.500 -1.042 2.853) 3.387 60.802 ( -0.899 -1.507 1.558) 2.347 60.857 ( 1.486 5.871 -2.032) 6.388 60.882 ( -0.500 4.791 -2.831) 5.588 61.332 ( 1.866 0.050 0.182) 1.875 61.346 ( 0.731 0.252 -1.049) 1.303 61.446 ( 0.849 2.673 0.708) 2.892 61.455 ( 0.100 2.443 -0.123) 2.449 64.115 ( 1.415 -0.970 2.208) 2.796 64.128 ( 0.312 -0.897 1.421) 1.709 64.209 ( 0.950 -2.323 -0.064) 2.511 64.220 ( 0.042 -2.262 -0.633) 2.349 ======================= Grid point 125 (46/54) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 0.000 11.142 6.344) 12.822 1.340 ( 0.000 7.552 0.633) 7.579 1.586 ( 0.000 -3.499 4.540) 5.732 1.644 ( 0.000 9.092 -1.803) 9.269 1.886 ( 0.000 -4.792 -2.427) 5.371 1.956 ( 0.000 1.194 -9.157) 9.235 2.316 ( 0.000 8.209 7.015) 10.798 2.402 ( 0.000 13.304 4.089) 13.918 2.429 ( 0.000 8.248 -3.203) 8.848 2.447 ( 0.000 15.522 0.014) 15.522 2.476 ( 0.000 6.460 7.345) 9.782 2.609 ( 0.000 -2.739 -3.699) 4.603 2.684 ( 0.000 1.898 -0.788) 2.055 2.700 ( 0.000 5.635 -3.409) 6.586 2.791 ( 0.000 0.765 -0.868) 1.157 2.824 ( 0.000 0.756 -3.647) 3.725 3.435 ( 0.000 -1.263 4.600) 4.770 3.550 ( 0.000 -3.977 -5.827) 7.054 3.879 ( 0.000 -0.452 -3.463) 3.492 3.900 ( 0.000 0.371 -5.411) 5.423 4.225 ( 0.000 -1.474 4.828) 5.048 4.326 ( 0.000 -4.295 -2.205) 4.828 4.430 ( 0.000 -1.363 -0.557) 1.472 4.448 ( 0.000 0.914 -0.166) 0.929 4.592 ( 0.000 -2.101 3.995) 4.514 4.651 ( 0.000 -3.824 4.707) 6.065 4.732 ( 0.000 -6.738 -5.039) 8.413 4.753 ( 0.000 -5.214 -2.174) 5.649 4.832 ( 0.000 3.076 2.875) 4.211 4.855 ( 0.000 1.527 0.665) 1.665 5.035 ( 0.000 -4.718 0.239) 4.724 5.038 ( 0.000 -4.508 -1.188) 4.661 5.154 ( 0.000 -1.389 -1.305) 1.906 5.173 ( 0.000 -0.054 -2.970) 2.970 5.276 ( 0.000 -1.997 1.652) 2.592 5.303 ( 0.000 -0.446 -0.898) 1.003 5.602 ( 0.000 -1.824 2.289) 2.927 5.636 ( 0.000 -0.714 -0.716) 1.011 5.705 ( 0.000 -1.504 4.613) 4.852 5.797 ( 0.000 -3.207 -5.492) 6.359 5.834 ( 0.000 0.976 10.474) 10.519 6.096 ( 0.000 0.112 4.864) 4.865 6.172 ( 0.000 -0.310 -6.815) 6.822 6.268 ( 0.000 0.683 6.397) 6.433 6.560 ( 0.000 -2.032 -0.531) 2.101 6.575 ( 0.000 -2.905 -8.454) 8.939 6.883 ( 0.000 3.533 -0.658) 3.594 6.934 ( 0.000 1.324 -3.794) 4.018 7.969 ( 0.000 11.238 2.029) 11.420 7.985 ( 0.000 9.423 0.801) 9.457 8.140 ( 0.000 5.742 4.907) 7.553 8.225 ( 0.000 4.376 -3.053) 5.335 12.938 ( 0.000 -0.685 0.991) 1.205 12.962 ( 0.000 -1.766 -1.096) 2.078 13.060 ( 0.000 3.216 2.936) 4.354 13.111 ( 0.000 9.094 -1.756) 9.262 13.159 ( 0.000 8.250 0.208) 8.253 13.170 ( 0.000 5.237 -0.811) 5.299 13.221 ( 0.000 5.035 0.889) 5.113 13.244 ( 0.000 8.113 -1.064) 8.182 20.266 ( 0.000 1.387 1.105) 1.773 20.291 ( 0.000 1.110 -1.118) 1.575 20.309 ( 0.000 0.604 0.322) 0.685 20.323 ( 0.000 0.703 -0.998) 1.221 20.659 ( 0.000 -2.049 0.565) 2.125 20.668 ( 0.000 -2.178 -0.300) 2.199 20.690 ( 0.000 -2.206 0.194) 2.214 20.695 ( 0.000 -2.204 -0.230) 2.216 20.846 ( 0.000 0.344 0.139) 0.371 20.850 ( 0.000 0.422 -0.217) 0.474 20.865 ( 0.000 0.060 0.228) 0.236 20.869 ( 0.000 -0.013 -0.152) 0.153 22.360 ( 0.000 -1.566 0.588) 1.672 22.372 ( 0.000 -1.880 -0.547) 1.958 22.411 ( 0.000 -2.660 0.617) 2.731 22.424 ( 0.000 -2.879 -0.647) 2.950 23.762 ( 0.000 0.115 0.094) 0.148 23.766 ( 0.000 0.039 -0.238) 0.241 23.801 ( 0.000 0.214 0.182) 0.281 23.803 ( 0.000 0.151 0.005) 0.151 24.388 ( 0.000 0.308 0.238) 0.389 24.393 ( 0.000 -0.011 -0.222) 0.222 24.436 ( 0.000 -1.010 0.679) 1.217 24.446 ( 0.000 -1.075 -0.281) 1.112 24.700 ( 0.000 0.574 0.442) 0.724 24.707 ( 0.000 0.332 -0.149) 0.364 24.739 ( 0.000 0.344 0.027) 0.345 24.745 ( 0.000 0.253 -0.627) 0.676 26.260 ( 0.000 -1.719 0.449) 1.776 26.266 ( 0.000 -1.719 0.084) 1.721 26.268 ( 0.000 -1.742 -0.074) 1.744 26.268 ( 0.000 -1.883 -0.327) 1.911 29.019 ( 0.000 -0.266 0.906) 0.945 29.029 ( 0.000 -0.541 -0.123) 0.555 29.036 ( 0.000 -0.380 0.344) 0.513 29.052 ( 0.000 -0.677 -1.043) 1.243 50.532 ( 0.000 -6.066 3.557) 7.032 50.631 ( 0.000 -9.222 -5.363) 10.668 50.661 ( 0.000 -19.450 3.574) 19.775 50.735 ( 0.000 -22.032 -3.316) 22.280 51.653 ( 0.000 17.574 6.314) 18.674 51.796 ( 0.000 18.175 -7.047) 19.493 52.399 ( 0.000 3.758 5.397) 6.576 52.571 ( 0.000 8.933 -12.080) 15.024 54.768 ( 0.000 2.344 11.013) 11.259 55.017 ( 0.000 -3.366 -11.963) 12.427 55.228 ( 0.000 -8.216 11.645) 14.252 55.394 ( 0.000 -10.327 -4.673) 11.335 60.751 ( 0.000 3.329 2.790) 4.343 60.800 ( 0.000 3.481 -1.775) 3.907 60.896 ( 0.000 3.196 0.628) 3.257 60.909 ( 0.000 2.855 -0.663) 2.931 61.209 ( 0.000 -2.349 0.169) 2.355 61.231 ( 0.000 -2.446 -1.734) 2.998 61.439 ( 0.000 -3.272 1.409) 3.562 61.459 ( 0.000 -3.765 -0.442) 3.791 64.064 ( 0.000 0.731 0.055) 0.733 64.077 ( 0.000 0.360 -0.911) 0.980 64.144 ( 0.000 -1.735 1.484) 2.283 64.166 ( 0.000 -1.840 -0.530) 1.914 ======================= Grid point 126 (47/54) ======================= q-point: ( 0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 6.432 10.119 3.966) 12.629 1.400 ( 7.272 5.261 1.595) 9.116 1.676 ( 7.652 -0.336 5.338) 9.335 1.726 ( 5.966 7.896 -0.337) 9.902 1.848 ( -3.081 -0.003 -3.472) 4.643 1.939 ( -1.035 2.399 -9.419) 9.774 2.240 ( -5.498 9.370 5.135) 12.016 2.307 ( -7.042 9.655 2.732) 12.259 2.350 ( -4.298 6.204 3.257) 8.220 2.429 ( -2.280 7.028 2.955) 7.957 2.526 ( -0.854 4.405 -7.789) 8.989 2.529 ( -2.587 5.778 -4.670) 7.867 2.659 ( -0.367 -0.076 3.495) 3.515 2.731 ( 1.082 5.572 -0.305) 5.685 2.845 ( 4.382 2.719 -0.790) 5.217 2.889 ( 3.357 -0.625 -3.072) 4.593 3.495 ( 5.060 -0.404 5.540) 7.514 3.627 ( 5.975 -2.511 -6.246) 9.001 3.843 ( -3.134 -1.968 -2.465) 4.447 3.878 ( -1.988 -1.644 -5.685) 6.243 4.204 ( -3.281 1.187 3.775) 5.140 4.283 ( -5.148 0.855 -2.910) 5.975 4.363 ( -4.605 -1.051 5.428) 7.196 4.461 ( -9.513 -0.334 -0.138) 9.520 4.496 ( -1.549 -2.253 -3.203) 4.211 4.520 ( -0.970 -1.332 -2.517) 3.008 4.676 ( 0.302 -4.225 6.344) 7.628 4.770 ( -1.138 -6.272 -2.271) 6.767 4.827 ( -0.255 0.029 2.267) 2.282 4.840 ( -1.004 -1.058 0.051) 1.460 5.002 ( -3.508 -5.927 3.013) 7.518 5.053 ( -3.672 -4.756 -1.613) 6.221 5.101 ( -0.766 0.828 1.443) 1.832 5.160 ( 2.683 2.965 -3.861) 5.559 5.410 ( 3.330 -1.633 1.773) 4.111 5.436 ( -3.341 -2.024 -0.154) 3.910 5.460 ( 7.372 -5.112 -1.418) 9.083 5.496 ( -3.782 -2.381 -2.126) 4.949 5.783 ( 0.622 -0.733 8.389) 8.444 5.926 ( 2.521 -3.823 -2.904) 5.422 5.946 ( 6.717 -0.263 5.935) 8.968 6.102 ( 2.790 4.083 3.963) 6.337 6.235 ( 7.468 -0.523 -5.343) 9.197 6.338 ( 5.034 -0.179 -0.359) 5.050 6.518 ( -0.696 -0.688 0.694) 1.199 6.617 ( 1.372 -3.789 -4.679) 6.175 6.853 ( -2.902 2.843 -1.154) 4.223 6.898 ( -3.211 1.030 -3.623) 4.949 7.964 ( -0.277 10.878 1.987) 11.061 7.979 ( -0.462 9.617 0.868) 9.667 8.141 ( 0.131 5.832 4.031) 7.091 8.211 ( -1.257 4.686 -2.441) 5.431 12.944 ( 0.500 -0.583 1.162) 1.393 12.966 ( 0.329 -1.199 -0.731) 1.442 13.066 ( 0.570 1.996 2.354) 3.139 13.112 ( 0.027 8.609 -1.686) 8.772 13.150 ( -0.617 8.740 0.328) 8.768 13.163 ( -0.682 2.784 -1.054) 3.054 13.220 ( -0.006 7.519 0.884) 7.571 13.241 ( -0.262 8.592 -0.967) 8.650 20.270 ( 0.289 1.366 0.945) 1.686 20.291 ( -0.026 1.110 -0.988) 1.487 20.307 ( -0.132 0.638 0.195) 0.680 20.317 ( -0.481 0.782 -0.725) 1.170 20.660 ( 0.136 -2.013 0.502) 2.079 20.669 ( 0.056 -2.116 -0.320) 2.141 20.688 ( -0.168 -2.222 0.271) 2.244 20.694 ( -0.150 -2.230 -0.225) 2.247 20.848 ( 0.156 0.321 0.115) 0.375 20.851 ( 0.098 0.393 -0.186) 0.445 20.863 ( -0.141 0.100 0.170) 0.243 20.867 ( -0.227 0.041 -0.122) 0.261 22.363 ( 0.227 -1.663 0.461) 1.741 22.372 ( -0.006 -1.895 -0.405) 1.938 22.413 ( 0.182 -2.692 0.457) 2.736 22.424 ( -0.062 -2.863 -0.539) 2.914 23.766 ( 0.314 0.159 0.110) 0.369 23.769 ( 0.312 0.087 -0.220) 0.392 23.798 ( -0.279 0.199 0.218) 0.406 23.801 ( -0.225 0.126 -0.051) 0.263 24.389 ( 0.036 0.248 0.268) 0.366 24.393 ( -0.023 -0.018 -0.129) 0.132 24.437 ( 0.050 -0.948 0.538) 1.091 24.446 ( -0.067 -1.071 -0.299) 1.114 24.702 ( 0.182 0.568 0.365) 0.699 24.708 ( 0.136 0.398 -0.181) 0.458 24.734 ( -0.429 0.388 0.087) 0.585 24.740 ( -0.441 0.337 -0.510) 0.754 26.260 ( 0.020 -1.688 0.422) 1.740 26.265 ( -0.090 -1.695 0.153) 1.705 26.268 ( -0.011 -1.842 -0.300) 1.867 26.268 ( 0.010 -1.775 -0.161) 1.783 29.021 ( 0.168 -0.281 0.876) 0.935 29.032 ( 0.270 -0.587 -0.229) 0.685 29.034 ( -0.103 -0.377 0.389) 0.551 29.050 ( -0.119 -0.691 -0.981) 1.206 50.541 ( 0.922 -9.175 1.710) 9.379 50.587 ( -0.595 -9.097 -2.072) 9.349 50.747 ( 4.674 -17.768 1.907) 18.471 50.803 ( 4.725 -22.472 -2.949) 23.152 51.680 ( 2.445 17.841 4.871) 18.655 51.790 ( -0.450 18.663 -5.427) 19.441 52.296 ( -8.310 3.479 4.508) 10.074 52.440 ( -10.823 8.690 -9.887) 17.041 54.785 ( 1.547 2.046 10.883) 11.181 55.007 ( -1.550 -3.197 -6.450) 7.364 55.163 ( -3.807 -5.516 7.447) 10.019 55.348 ( -4.238 -9.384 -6.961) 12.429 60.755 ( 0.540 2.925 2.773) 4.067 60.807 ( 0.102 2.572 -2.074) 3.306 60.915 ( 1.823 3.784 0.947) 4.306 60.937 ( 1.852 3.144 -0.998) 3.784 61.244 ( 2.891 -2.696 0.293) 3.964 61.269 ( 2.902 -3.010 -1.906) 4.595 61.436 ( -0.103 -3.337 1.257) 3.567 61.455 ( -0.334 -3.468 -0.567) 3.530 64.076 ( 1.097 0.366 0.877) 1.451 64.097 ( 1.338 -0.001 -0.758) 1.538 64.150 ( 0.587 -1.737 1.163) 2.172 64.172 ( 0.442 -1.906 -0.651) 2.062 ======================= Grid point 127 (48/54) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 7.133 5.375 5.640) 10.563 1.598 ( 6.992 4.561 -0.882) 8.394 1.701 ( -4.927 5.642 2.394) 7.864 1.774 ( -2.919 4.667 -1.752) 5.777 1.927 ( 8.678 6.339 -2.388) 11.009 1.976 ( 4.955 7.025 -5.108) 10.000 2.108 ( -5.331 7.464 2.831) 9.600 2.148 ( -7.363 11.184 1.659) 13.492 2.305 ( 1.000 2.999 3.900) 5.020 2.367 ( -3.448 4.044 2.933) 6.070 2.462 ( -0.323 -1.623 -9.201) 9.349 2.498 ( -2.747 0.671 -8.572) 9.026 2.693 ( 2.288 6.625 5.630) 8.990 2.732 ( -1.043 6.652 2.570) 7.207 2.922 ( 2.209 0.483 -1.699) 2.828 2.937 ( 0.864 -0.862 -2.355) 2.652 3.624 ( 6.111 -0.908 4.728) 7.780 3.750 ( -5.267 -2.981 0.358) 6.063 3.754 ( 4.562 -2.261 -6.256) 8.066 3.824 ( -2.619 -3.495 -5.829) 7.284 4.101 ( -3.056 3.961 2.001) 5.388 4.134 ( -5.734 4.401 -0.826) 7.275 4.275 ( -2.080 2.988 1.054) 3.790 4.299 ( -4.183 2.914 -1.018) 5.199 4.509 ( 2.153 -2.707 2.391) 4.205 4.544 ( -0.512 -1.165 -0.135) 1.279 4.706 ( 2.483 -7.691 3.184) 8.687 4.749 ( -1.063 -7.750 -0.376) 7.832 4.835 ( 1.151 -1.794 1.422) 2.563 4.855 ( 2.888 -0.889 -0.313) 3.037 4.901 ( -4.230 -4.373 3.159) 6.856 4.959 ( -4.857 -3.523 -1.757) 6.252 5.119 ( 2.225 0.791 2.838) 3.692 5.179 ( -1.910 1.315 -1.480) 2.751 5.322 ( -1.415 -1.849 0.284) 2.346 5.354 ( -3.493 -1.759 -1.957) 4.373 5.607 ( 6.675 -4.321 2.380) 8.300 5.670 ( 7.446 -4.501 -2.650) 9.095 5.743 ( -2.444 -2.546 4.119) 5.424 5.863 ( -6.545 -3.915 -5.347) 9.314 6.061 ( 5.217 3.656 7.345) 9.723 6.148 ( -1.420 3.824 2.208) 4.638 6.434 ( 7.186 -1.713 -3.490) 8.171 6.450 ( 4.220 0.282 -4.169) 5.939 6.561 ( 3.940 0.573 3.331) 5.191 6.634 ( 0.132 -2.291 -0.887) 2.461 6.763 ( -3.722 0.387 -2.419) 4.456 6.805 ( -4.888 -0.147 -4.076) 6.366 7.962 ( 0.123 10.210 1.722) 10.355 7.969 ( -0.445 9.780 1.236) 9.868 8.150 ( 0.809 5.887 1.799) 6.208 8.178 ( -1.584 5.402 -0.708) 5.674 12.958 ( 0.692 -0.285 1.248) 1.455 12.969 ( -0.220 -0.282 0.478) 0.597 13.086 ( 1.189 0.232 0.341) 1.259 13.108 ( -0.575 4.710 -1.482) 4.972 13.139 ( -0.257 8.605 0.315) 8.615 13.144 ( -0.778 3.967 -0.213) 4.048 13.224 ( 0.317 9.872 0.193) 9.879 13.233 ( -0.453 9.574 -0.600) 9.603 20.278 ( 0.489 1.301 0.450) 1.461 20.288 ( -0.296 1.182 -0.419) 1.288 20.305 ( -0.072 0.724 -0.097) 0.734 20.307 ( -0.329 0.819 -0.339) 0.945 20.665 ( 0.234 -1.950 0.282) 1.984 20.669 ( -0.128 -1.964 -0.127) 1.972 20.686 ( 0.035 -2.301 0.185) 2.309 20.689 ( -0.216 -2.283 -0.112) 2.296 20.853 ( 0.231 0.267 0.045) 0.356 20.854 ( 0.121 0.316 -0.098) 0.353 20.860 ( -0.155 0.181 0.046) 0.243 20.861 ( -0.262 0.147 -0.055) 0.305 22.368 ( 0.224 -1.826 0.189) 1.849 22.371 ( -0.086 -1.901 -0.113) 1.907 22.417 ( 0.216 -2.756 0.108) 2.766 22.422 ( -0.149 -2.819 -0.259) 2.834 23.774 ( 0.397 0.278 0.126) 0.501 23.777 ( 0.264 0.254 -0.126) 0.387 23.791 ( -0.229 0.079 0.167) 0.295 23.794 ( -0.356 0.049 -0.086) 0.370 24.390 ( 0.085 0.127 0.264) 0.305 24.392 ( -0.088 0.020 0.105) 0.138 24.439 ( 0.165 -0.921 0.148) 0.947 24.443 ( -0.173 -1.002 -0.199) 1.036 24.708 ( 0.338 0.546 0.186) 0.669 24.712 ( 0.110 0.506 -0.214) 0.560 24.724 ( -0.264 0.460 0.161) 0.554 24.729 ( -0.506 0.443 -0.279) 0.728 26.261 ( 0.070 -1.656 0.351) 1.694 26.263 ( -0.101 -1.668 0.257) 1.691 26.268 ( 0.008 -1.802 -0.286) 1.824 26.268 ( -0.018 -1.784 -0.234) 1.800 29.026 ( 0.247 -0.315 0.769) 0.867 29.031 ( -0.212 -0.349 0.598) 0.724 29.040 ( 0.348 -0.670 -0.548) 0.933 29.046 ( -0.256 -0.703 -0.806) 1.099 50.574 ( 1.797 -10.907 0.662) 11.073 50.594 ( 0.209 -10.041 -1.246) 10.121 50.844 ( 3.669 -18.302 1.049) 18.696 50.877 ( 1.171 -21.853 -1.952) 21.971 51.751 ( 3.315 18.823 1.332) 19.159 51.784 ( -0.097 19.424 -1.762) 19.504 52.124 ( -4.676 3.559 1.619) 6.095 52.188 ( -9.769 6.880 -4.547) 12.785 54.838 ( 3.375 1.464 10.467) 11.095 54.929 ( -4.718 -0.275 7.922) 9.224 55.146 ( 2.197 -5.305 -6.529) 8.695 55.234 ( -5.348 -7.048 -8.864) 12.524 60.774 ( 1.115 2.201 1.822) 3.067 60.798 ( -0.883 1.950 -0.205) 2.151 60.955 ( 1.399 4.231 -0.247) 4.463 60.966 ( 0.478 3.794 -1.074) 3.972 61.307 ( 2.187 -3.218 -0.260) 3.899 61.321 ( 1.110 -3.446 -1.485) 3.913 61.439 ( 0.350 -3.426 0.553) 3.488 61.447 ( -0.361 -3.297 -0.256) 3.326 64.103 ( 1.149 -0.206 1.569) 1.956 64.116 ( 0.162 -0.373 0.899) 0.986 64.168 ( 0.848 -1.876 -0.216) 2.070 64.178 ( -0.039 -1.972 -0.766) 2.116 ======================= Grid point 130 (49/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.000 3.508 2.207) 4.144 1.471 ( 0.000 4.769 -3.891) 6.155 1.602 ( 0.000 5.241 8.160) 9.698 1.746 ( 0.000 -3.130 5.203) 6.072 1.790 ( 0.000 1.285 -8.737) 8.831 1.926 ( 0.000 -3.763 -11.165) 11.782 2.436 ( 0.000 5.533 3.648) 6.628 2.465 ( 0.000 -1.022 1.823) 2.090 2.481 ( 0.000 -0.889 5.566) 5.636 2.564 ( 0.000 2.744 -0.199) 2.751 2.638 ( 0.000 2.910 -2.345) 3.737 2.688 ( 0.000 2.312 -3.698) 4.361 2.783 ( 0.000 8.879 4.023) 9.747 2.824 ( 0.000 5.812 1.075) 5.911 2.888 ( 0.000 6.817 0.084) 6.817 2.898 ( 0.000 5.734 -1.022) 5.824 3.406 ( 0.000 -1.253 1.381) 1.865 3.465 ( 0.000 -4.207 -4.031) 5.827 3.875 ( 0.000 0.099 -5.375) 5.376 3.899 ( 0.000 -0.526 -7.460) 7.478 4.201 ( 0.000 -0.919 3.485) 3.604 4.242 ( 0.000 -3.609 1.001) 3.745 4.430 ( 0.000 1.290 -1.932) 2.323 4.454 ( 0.000 0.212 -1.779) 1.792 4.541 ( 0.000 -3.399 0.693) 3.469 4.559 ( 0.000 -4.960 -0.840) 5.030 4.645 ( 0.000 -1.898 1.545) 2.447 4.669 ( 0.000 -2.872 0.285) 2.886 4.875 ( 0.000 0.017 2.306) 2.306 4.894 ( 0.000 1.768 2.559) 3.110 4.936 ( 0.000 -3.725 1.603) 4.056 4.951 ( 0.000 -2.402 1.900) 3.062 5.150 ( 0.000 -0.280 -2.406) 2.423 5.155 ( 0.000 -1.391 -2.445) 2.813 5.325 ( 0.000 5.431 0.551) 5.459 5.344 ( 0.000 4.171 -1.427) 4.408 5.547 ( 0.000 -4.009 1.903) 4.437 5.573 ( 0.000 -5.618 -0.229) 5.622 5.674 ( 0.000 -0.808 -0.196) 0.831 5.722 ( 0.000 -3.642 -4.738) 5.976 5.878 ( 0.000 3.261 15.352) 15.694 6.034 ( 0.000 -4.300 15.664) 16.243 6.222 ( 0.000 3.009 -15.173) 15.469 6.278 ( 0.000 0.117 -0.535) 0.548 6.534 ( 0.000 -0.700 1.054) 1.265 6.537 ( 0.000 -1.044 -5.326) 5.428 6.943 ( 0.000 2.365 -3.121) 3.916 6.961 ( 0.000 1.149 -3.839) 4.007 8.138 ( 0.000 6.139 2.152) 6.505 8.151 ( 0.000 7.249 0.774) 7.290 8.223 ( 0.000 2.659 3.950) 4.762 8.282 ( 0.000 1.220 -1.631) 2.037 12.923 ( 0.000 -0.597 0.214) 0.634 12.932 ( 0.000 -1.167 -0.501) 1.270 13.053 ( 0.000 -0.986 2.387) 2.583 13.095 ( 0.000 -3.019 -1.461) 3.354 13.336 ( 0.000 7.557 -0.106) 7.557 13.337 ( 0.000 7.760 -0.241) 7.764 13.384 ( 0.000 6.955 0.717) 6.992 13.400 ( 0.000 6.228 -0.832) 6.283 20.291 ( 0.000 1.110 0.864) 1.406 20.309 ( 0.000 0.540 -0.369) 0.654 20.318 ( 0.000 0.428 -0.097) 0.439 20.331 ( 0.000 0.111 -0.926) 0.933 20.626 ( 0.000 -1.231 0.437) 1.307 20.632 ( 0.000 -1.493 -0.052) 1.494 20.654 ( 0.000 -1.369 0.058) 1.370 20.658 ( 0.000 -1.503 -0.232) 1.521 20.853 ( 0.000 0.335 0.184) 0.382 20.858 ( 0.000 0.325 -0.240) 0.404 20.864 ( 0.000 -0.140 0.178) 0.226 20.868 ( 0.000 -0.148 -0.149) 0.210 22.338 ( 0.000 -0.571 0.269) 0.631 22.344 ( 0.000 -0.935 -0.255) 0.969 22.365 ( 0.000 -1.884 0.391) 1.924 22.374 ( 0.000 -2.209 -0.388) 2.242 23.764 ( 0.000 0.075 0.030) 0.081 23.766 ( 0.000 -0.018 -0.140) 0.141 23.805 ( 0.000 0.132 0.158) 0.206 23.805 ( 0.000 0.084 0.082) 0.117 24.395 ( 0.000 0.158 -0.024) 0.160 24.395 ( 0.000 0.317 -0.029) 0.318 24.421 ( 0.000 -0.536 0.426) 0.685 24.428 ( 0.000 -0.761 -0.257) 0.803 24.708 ( 0.000 0.279 0.273) 0.390 24.711 ( 0.000 0.109 0.012) 0.110 24.744 ( 0.000 0.182 -0.026) 0.184 24.748 ( 0.000 0.004 -0.368) 0.368 26.233 ( 0.000 -0.961 0.225) 0.987 26.237 ( 0.000 -1.183 -0.185) 1.197 26.238 ( 0.000 -1.074 0.050) 1.075 26.239 ( 0.000 -1.120 -0.044) 1.121 29.015 ( 0.000 -0.106 0.671) 0.679 29.020 ( 0.000 -0.365 0.136) 0.390 29.031 ( 0.000 -0.099 -0.013) 0.100 29.040 ( 0.000 -0.529 -0.751) 0.918 50.296 ( 0.000 -12.293 2.430) 12.531 50.341 ( 0.000 -14.862 -1.647) 14.953 50.404 ( 0.000 -8.478 1.207) 8.563 50.433 ( 0.000 -10.101 -1.508) 10.213 51.981 ( 0.000 14.287 5.248) 15.220 52.086 ( 0.000 10.322 -4.321) 11.190 52.540 ( 0.000 8.486 4.309) 9.517 52.697 ( 0.000 2.919 -10.572) 10.968 54.831 ( 0.000 3.812 5.700) 6.857 54.961 ( 0.000 -2.700 -6.205) 6.767 55.143 ( 0.000 -1.299 7.014) 7.134 55.238 ( 0.000 -5.889 -2.263) 6.309 60.867 ( 0.000 8.335 2.138) 8.605 60.903 ( 0.000 6.718 -1.058) 6.801 60.970 ( 0.000 4.636 0.298) 4.645 60.980 ( 0.000 5.025 -0.812) 5.090 61.142 ( 0.000 -4.422 0.055) 4.422 61.159 ( 0.000 -4.809 -1.434) 5.018 61.309 ( 0.000 -9.487 1.125) 9.554 61.326 ( 0.000 -9.249 -0.467) 9.261 64.081 ( 0.000 0.902 -0.020) 0.902 64.088 ( 0.000 0.815 -0.622) 1.025 64.116 ( 0.000 -1.121 0.922) 1.451 64.133 ( 0.000 -1.513 -0.598) 1.627 ======================= Grid point 131 (50/54) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 4.570 2.818 2.744) 6.030 1.539 ( 6.186 5.198 -4.106) 9.063 1.730 ( 8.782 3.855 4.792) 10.722 1.766 ( 2.987 -1.145 4.989) 5.927 1.869 ( 4.962 1.890 -7.384) 9.095 1.929 ( 1.872 -2.404 -9.522) 9.997 2.357 ( -7.050 5.232 3.557) 9.472 2.403 ( -4.725 -0.264 0.631) 4.774 2.409 ( -4.869 1.944 6.507) 8.356 2.518 ( -3.355 2.840 -1.257) 4.572 2.557 ( -5.980 1.058 -3.603) 7.061 2.581 ( -6.195 -0.155 -3.130) 6.943 2.821 ( 2.439 9.350 3.790) 10.379 2.880 ( 1.843 6.902 -0.826) 7.192 2.911 ( 2.126 3.366 1.658) 4.312 2.932 ( 2.098 4.248 -0.608) 4.777 3.483 ( 5.850 -0.273 2.412) 6.333 3.558 ( 6.652 -3.849 -4.146) 8.733 3.810 ( -4.778 -1.173 -4.534) 6.691 3.838 ( -4.377 -2.186 -7.002) 8.542 4.239 ( -0.187 2.041 3.784) 4.303 4.290 ( 2.876 -0.737 2.052) 3.609 4.351 ( -6.616 0.854 -0.454) 6.687 4.424 ( -4.101 -3.347 -4.210) 6.764 4.457 ( -3.084 -0.550 2.027) 3.732 4.495 ( -1.871 -1.566 -1.653) 2.947 4.599 ( -1.335 -2.999 2.822) 4.329 4.646 ( -1.661 -5.318 -1.445) 5.756 4.855 ( -2.070 1.899 2.320) 3.643 4.861 ( -2.553 2.051 2.673) 4.227 4.921 ( -1.909 -2.464 2.151) 3.787 4.957 ( -0.694 -3.988 -1.258) 4.239 5.158 ( -1.563 3.618 2.305) 4.566 5.220 ( 2.936 2.773 -2.553) 4.778 5.350 ( 1.538 -4.216 0.375) 4.504 5.360 ( 2.421 -3.786 0.911) 4.585 5.419 ( -1.082 -0.141 -0.673) 1.281 5.464 ( -5.641 -1.582 -2.332) 6.305 5.752 ( 0.886 -1.426 4.119) 4.447 5.832 ( 2.172 -4.967 -3.498) 6.452 5.980 ( 8.089 3.238 11.405) 14.352 6.122 ( 8.133 -2.472 10.758) 13.711 6.250 ( 2.988 2.814 -9.415) 10.271 6.337 ( 4.755 -0.550 -5.027) 6.941 6.522 ( 0.732 0.661 -0.017) 0.986 6.562 ( 1.055 -1.896 -2.493) 3.305 6.903 ( -3.822 2.027 -3.183) 5.371 6.920 ( -3.678 0.962 -3.853) 5.413 8.133 ( -0.338 6.446 2.089) 6.785 8.147 ( -0.382 7.228 0.679) 7.270 8.223 ( 0.026 2.387 3.440) 4.187 8.272 ( -0.910 1.330 -1.189) 2.003 12.931 ( 0.723 -0.445 0.481) 0.976 12.943 ( 0.957 -0.982 -0.604) 1.499 13.043 ( -0.815 -1.404 2.148) 2.692 13.081 ( -1.193 -3.132 -1.337) 3.608 13.335 ( 0.050 7.938 0.053) 7.938 13.340 ( 0.145 7.961 -0.413) 7.973 13.384 ( 0.079 6.623 0.591) 6.650 13.399 ( -0.158 6.131 -0.737) 6.177 20.294 ( 0.223 1.058 0.714) 1.296 20.309 ( 0.004 0.599 -0.435) 0.740 20.316 ( -0.111 0.384 -0.026) 0.401 20.327 ( -0.348 0.203 -0.726) 0.830 20.628 ( 0.180 -1.209 0.394) 1.284 20.634 ( 0.167 -1.450 -0.097) 1.462 20.652 ( -0.230 -1.389 0.133) 1.414 20.656 ( -0.198 -1.536 -0.209) 1.563 20.854 ( 0.104 0.298 0.149) 0.349 20.858 ( 0.037 0.284 -0.208) 0.354 20.863 ( -0.061 -0.088 0.126) 0.166 20.866 ( -0.138 -0.093 -0.121) 0.206 22.339 ( 0.113 -0.620 0.222) 0.668 22.344 ( 0.010 -0.903 -0.182) 0.921 22.367 ( 0.117 -1.937 0.291) 1.962 22.373 ( -0.032 -2.192 -0.325) 2.216 23.768 ( 0.375 0.100 0.050) 0.391 23.770 ( 0.379 0.006 -0.124) 0.398 23.801 ( -0.303 0.133 0.171) 0.373 23.803 ( -0.268 0.059 0.038) 0.277 24.394 ( 0.011 0.298 0.085) 0.310 24.396 ( 0.054 0.305 -0.090) 0.323 24.421 ( -0.004 -0.641 0.351) 0.731 24.427 ( -0.093 -0.810 -0.244) 0.851 24.710 ( 0.201 0.304 0.242) 0.437 24.713 ( 0.219 0.145 -0.034) 0.265 24.740 ( -0.381 0.204 0.026) 0.433 24.743 ( -0.364 0.030 -0.324) 0.488 26.233 ( 0.032 -0.964 0.213) 0.987 26.237 ( -0.057 -1.051 0.077) 1.055 26.238 ( 0.013 -1.173 -0.171) 1.186 26.239 ( -0.008 -1.135 -0.079) 1.138 29.017 ( 0.154 -0.105 0.615) 0.643 29.023 ( 0.213 -0.400 0.031) 0.455 29.030 ( -0.107 -0.102 0.060) 0.160 29.038 ( -0.125 -0.527 -0.679) 0.868 50.305 ( 1.125 -10.901 2.080) 11.155 50.352 ( 1.033 -12.618 -2.127) 12.837 50.441 ( 2.499 -11.867 0.464) 12.136 50.452 ( 1.510 -12.129 -0.580) 12.236 52.010 ( 2.645 14.000 4.362) 14.901 52.092 ( 0.652 10.888 -3.058) 11.329 52.446 ( -7.636 9.180 3.937) 12.573 52.584 ( -9.425 4.388 -8.918) 13.697 54.843 ( 1.224 3.727 5.672) 6.896 54.964 ( 0.282 -1.812 -4.800) 5.139 55.101 ( -3.187 -1.081 5.758) 6.670 55.202 ( -3.191 -5.785 -3.177) 7.331 60.861 ( -0.206 7.670 1.882) 7.900 60.898 ( -0.583 6.508 -1.523) 6.709 60.999 ( 2.413 5.208 0.726) 5.786 61.015 ( 2.245 5.309 -0.746) 5.812 61.163 ( 1.718 -5.588 -0.017) 5.846 61.179 ( 1.558 -6.055 -1.430) 6.414 61.312 ( 0.403 -8.810 1.197) 8.900 61.332 ( 0.374 -8.626 -0.684) 8.662 64.088 ( 0.713 0.849 0.454) 1.198 64.101 ( 0.868 0.435 -0.566) 1.124 64.123 ( 0.578 -1.079 0.724) 1.422 64.139 ( 0.407 -1.515 -0.591) 1.676 ======================= Grid point 132 (51/54) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 6.955 3.900 2.884) 8.479 1.682 ( 4.152 3.958 -3.481) 6.710 1.755 ( -0.384 -0.342 -1.097) 1.211 1.840 ( -4.182 0.578 -6.613) 7.845 2.006 ( 11.051 4.317 4.276) 12.611 2.098 ( 8.306 4.358 -4.082) 10.230 2.196 ( -6.081 4.030 5.154) 8.932 2.270 ( -6.476 2.534 0.086) 6.955 2.347 ( -0.095 0.698 2.867) 2.953 2.425 ( -5.522 1.228 0.251) 5.663 2.454 ( -1.840 -0.324 -4.663) 5.024 2.476 ( -3.142 -0.935 -4.889) 5.886 2.862 ( 1.327 7.692 2.276) 8.131 2.885 ( -0.714 7.067 0.321) 7.110 2.949 ( 0.944 1.543 1.242) 2.194 2.959 ( 0.160 2.331 0.189) 2.344 3.601 ( 4.464 -0.556 1.320) 4.688 3.673 ( 2.056 -3.584 -5.178) 6.625 3.706 ( -3.205 -2.210 -1.197) 4.073 3.749 ( -3.378 -3.678 -5.319) 7.296 4.194 ( -0.330 4.601 2.157) 5.092 4.227 ( -2.751 4.105 -0.845) 5.014 4.304 ( -1.646 0.131 1.534) 2.254 4.331 ( -3.806 0.131 -0.959) 3.927 4.468 ( 3.034 -0.809 3.627) 4.797 4.520 ( -0.010 -1.107 -0.639) 1.278 4.572 ( 0.532 -5.340 3.376) 6.340 4.613 ( -1.700 -5.753 0.002) 5.999 4.826 ( 0.253 0.655 0.536) 0.884 4.840 ( 0.960 -0.034 -0.595) 1.129 4.870 ( -2.128 -0.218 1.363) 2.536 4.908 ( -3.211 -1.942 -2.021) 4.262 5.151 ( 1.519 2.375 4.348) 5.182 5.210 ( -2.694 1.905 0.136) 3.302 5.278 ( -1.580 -3.021 1.769) 3.840 5.313 ( -4.352 -2.587 -0.723) 5.114 5.539 ( 8.129 -2.211 0.753) 8.458 5.584 ( 9.040 -3.896 -3.329) 10.392 5.695 ( -5.094 -1.607 2.684) 5.978 5.770 ( -6.538 -4.817 -3.701) 8.924 6.149 ( 6.543 4.961 6.917) 10.736 6.240 ( -0.652 4.845 1.311) 5.061 6.352 ( 5.989 -4.671 3.300) 8.281 6.423 ( 0.710 -3.331 -3.311) 4.750 6.595 ( 5.873 2.037 -1.002) 6.296 6.626 ( 5.936 0.464 -3.841) 7.085 6.780 ( -6.788 1.108 -3.071) 7.532 6.806 ( -6.518 -0.013 -4.338) 7.830 8.129 ( 0.067 6.827 1.665) 7.027 8.136 ( -0.505 7.123 1.020) 7.213 8.228 ( 0.576 1.981 1.884) 2.794 8.248 ( -1.122 1.627 0.073) 1.978 12.952 ( 1.053 0.037 0.777) 1.309 12.963 ( 0.413 -0.014 -0.100) 0.425 13.028 ( -0.096 -2.887 0.915) 3.030 13.048 ( -1.574 -3.387 -0.832) 3.826 13.338 ( 0.192 8.383 0.008) 8.385 13.342 ( -0.053 8.442 -0.276) 8.446 13.388 ( 0.227 6.077 0.122) 6.082 13.394 ( -0.293 5.971 -0.427) 5.993 20.301 ( 0.377 0.926 0.281) 1.039 20.308 ( -0.196 0.796 -0.375) 0.901 20.315 ( 0.009 0.278 0.033) 0.280 20.318 ( -0.333 0.332 -0.326) 0.572 20.633 ( 0.283 -1.149 0.239) 1.207 20.637 ( 0.043 -1.215 -0.116) 1.222 20.647 ( -0.093 -1.583 0.209) 1.600 20.650 ( -0.282 -1.617 -0.095) 1.644 20.857 ( 0.163 0.207 0.058) 0.270 20.859 ( 0.032 0.188 -0.110) 0.221 20.862 ( -0.067 0.030 0.010) 0.074 20.862 ( -0.162 0.021 -0.054) 0.172 22.342 ( 0.113 -0.725 0.110) 0.742 22.344 ( -0.034 -0.826 -0.034) 0.828 22.369 ( 0.138 -2.045 0.070) 2.051 22.372 ( -0.089 -2.137 -0.158) 2.145 23.779 ( 0.521 0.180 0.093) 0.559 23.780 ( 0.491 0.106 -0.078) 0.509 23.792 ( -0.438 0.062 0.148) 0.466 23.794 ( -0.461 -0.010 -0.020) 0.462 24.395 ( 0.067 0.405 0.113) 0.425 24.396 ( -0.031 0.426 0.003) 0.427 24.422 ( 0.089 -0.834 0.108) 0.846 24.424 ( -0.148 -0.882 -0.143) 0.906 24.717 ( 0.367 0.371 0.147) 0.542 24.720 ( 0.282 0.275 -0.141) 0.418 24.730 ( -0.366 0.156 0.126) 0.418 24.734 ( -0.479 0.048 -0.196) 0.520 26.234 ( 0.060 -0.978 0.180) 0.997 26.236 ( -0.071 -1.010 0.136) 1.022 26.238 ( 0.027 -1.161 -0.158) 1.172 26.239 ( -0.027 -1.150 -0.125) 1.157 29.021 ( 0.229 -0.106 0.458) 0.523 29.026 ( -0.195 -0.107 0.244) 0.330 29.028 ( 0.287 -0.465 -0.213) 0.587 29.034 ( -0.240 -0.512 -0.482) 0.743 50.344 ( 2.060 -9.620 0.853) 9.875 50.370 ( 0.060 -9.852 -1.537) 9.971 50.480 ( 1.187 -16.160 0.084) 16.204 50.487 ( 0.844 -15.269 -0.577) 15.303 52.095 ( 4.638 13.895 1.637) 14.740 52.128 ( 2.689 13.207 -1.315) 13.542 52.274 ( -5.837 8.812 2.842) 10.946 52.350 ( -10.237 6.907 -4.223) 13.051 54.888 ( 2.847 3.447 5.520) 7.103 54.953 ( -2.223 2.213 2.901) 4.272 55.056 ( 0.579 -3.916 -2.003) 4.436 55.117 ( -4.045 -5.108 -4.249) 7.779 60.865 ( 0.558 6.946 0.902) 7.027 60.881 ( -0.844 6.508 -0.576) 6.588 61.045 ( 1.354 5.455 0.160) 5.623 61.052 ( 0.778 5.446 -0.418) 5.518 61.200 ( 1.286 -7.555 -0.483) 7.679 61.208 ( 0.655 -7.829 -1.125) 7.936 61.327 ( 0.837 -7.481 0.613) 7.553 61.337 ( 0.002 -7.435 -0.357) 7.443 64.107 ( 0.757 0.479 0.830) 1.221 64.114 ( 0.147 0.191 0.437) 0.499 64.138 ( 0.653 -1.174 -0.165) 1.354 64.145 ( 0.052 -1.426 -0.533) 1.523 ======================= Grid point 135 (52/54) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 -3.504 -0.773) 3.588 1.473 ( 0.000 3.504 -0.773) 3.588 1.691 ( 0.000 -2.427 3.500) 4.259 1.691 ( 0.000 2.428 3.500) 4.259 1.843 ( 0.000 -3.609 -7.760) 8.558 1.843 ( 0.000 3.609 -7.760) 8.558 2.462 ( 0.000 -0.690 4.129) 4.186 2.462 ( 0.000 0.690 4.129) 4.186 2.534 ( 0.000 -4.154 -1.128) 4.305 2.534 ( 0.000 4.154 -1.128) 4.305 2.687 ( 0.000 -1.526 1.160) 1.917 2.687 ( 0.000 1.526 1.160) 1.917 2.882 ( 0.000 -0.644 2.011) 2.111 2.882 ( 0.000 0.644 2.011) 2.111 2.964 ( 0.000 -0.127 -0.774) 0.784 2.964 ( 0.000 0.127 -0.774) 0.784 3.406 ( 0.000 -1.555 -1.726) 2.324 3.406 ( 0.000 1.555 -1.726) 2.324 3.884 ( 0.000 -0.780 -7.193) 7.236 3.884 ( 0.000 0.780 -7.193) 7.236 4.198 ( 0.000 -0.911 2.209) 2.390 4.198 ( 0.000 0.911 2.209) 2.390 4.473 ( 0.000 -1.446 -3.737) 4.006 4.473 ( 0.000 1.446 -3.737) 4.006 4.481 ( 0.000 -0.554 0.795) 0.969 4.481 ( 0.000 0.554 0.795) 0.969 4.637 ( 0.000 -0.651 1.924) 2.031 4.637 ( 0.000 0.651 1.924) 2.031 4.871 ( 0.000 -0.763 0.276) 0.812 4.871 ( 0.000 0.763 0.276) 0.812 4.935 ( 0.000 -0.517 4.663) 4.692 4.935 ( 0.000 0.517 4.663) 4.692 5.143 ( 0.000 -0.096 -2.133) 2.135 5.143 ( 0.000 0.096 -2.133) 2.135 5.431 ( 0.000 -0.393 0.009) 0.393 5.431 ( 0.000 0.393 0.009) 0.393 5.462 ( 0.000 -0.514 -0.101) 0.524 5.462 ( 0.000 0.514 -0.101) 0.524 5.676 ( 0.000 -1.047 -2.585) 2.789 5.676 ( 0.000 1.047 -2.585) 2.789 5.951 ( 0.000 -4.120 15.918) 16.443 5.951 ( 0.000 4.120 15.918) 16.443 6.266 ( 0.000 -1.421 -9.378) 9.485 6.266 ( 0.000 1.421 -9.378) 9.485 6.528 ( 0.000 -0.030 -0.741) 0.742 6.528 ( 0.000 0.030 -0.741) 0.742 6.970 ( 0.000 -0.364 -3.806) 3.823 6.970 ( 0.000 0.364 -3.806) 3.823 8.215 ( 0.000 -1.334 2.614) 2.934 8.215 ( 0.000 1.334 2.614) 2.934 8.268 ( 0.000 -2.493 0.091) 2.494 8.268 ( 0.000 2.493 0.091) 2.494 12.919 ( 0.000 -0.177 -0.141) 0.227 12.919 ( 0.000 0.177 -0.141) 0.227 13.053 ( 0.000 -1.107 0.450) 1.195 13.053 ( 0.000 1.107 0.450) 1.195 13.415 ( 0.000 -0.109 -0.100) 0.147 13.415 ( 0.000 0.109 -0.100) 0.147 13.458 ( 0.000 -0.489 -0.141) 0.509 13.458 ( 0.000 0.489 -0.141) 0.509 20.308 ( 0.000 -0.531 0.611) 0.810 20.308 ( 0.000 0.531 0.611) 0.810 20.328 ( 0.000 -0.417 -0.850) 0.947 20.328 ( 0.000 0.417 -0.850) 0.947 20.615 ( 0.000 -0.159 0.232) 0.282 20.615 ( 0.000 0.159 0.232) 0.282 20.642 ( 0.000 -0.105 -0.125) 0.164 20.642 ( 0.000 0.105 -0.125) 0.164 20.859 ( 0.000 -0.257 0.156) 0.301 20.859 ( 0.000 0.257 0.156) 0.301 20.864 ( 0.000 -0.220 -0.177) 0.283 20.864 ( 0.000 0.220 -0.177) 0.283 22.337 ( 0.000 -0.028 -0.016) 0.032 22.337 ( 0.000 0.028 -0.016) 0.032 22.345 ( 0.000 -0.348 0.026) 0.349 22.345 ( 0.000 0.348 0.026) 0.349 23.765 ( 0.000 -0.047 -0.049) 0.068 23.765 ( 0.000 0.047 -0.049) 0.068 23.806 ( 0.000 -0.019 0.130) 0.132 23.806 ( 0.000 0.019 0.130) 0.132 24.398 ( 0.000 -0.067 -0.009) 0.067 24.398 ( 0.000 0.067 -0.009) 0.067 24.418 ( 0.000 -0.248 0.018) 0.249 24.418 ( 0.000 0.248 0.018) 0.249 24.711 ( 0.000 -0.071 0.138) 0.155 24.711 ( 0.000 0.071 0.138) 0.155 24.747 ( 0.000 -0.092 -0.164) 0.188 24.747 ( 0.000 0.092 -0.164) 0.188 26.224 ( 0.000 -0.116 0.008) 0.116 26.224 ( 0.000 0.116 0.008) 0.116 26.227 ( 0.000 -0.028 0.002) 0.028 26.227 ( 0.000 0.028 0.002) 0.028 29.015 ( 0.000 -0.123 0.414) 0.432 29.015 ( 0.000 0.123 0.414) 0.432 29.032 ( 0.000 -0.239 -0.400) 0.466 29.032 ( 0.000 0.239 -0.400) 0.466 50.180 ( 0.000 -1.125 0.483) 1.225 50.180 ( 0.000 1.125 0.483) 1.225 50.322 ( 0.000 -0.706 -0.015) 0.706 50.322 ( 0.000 0.706 -0.015) 0.706 52.158 ( 0.000 -3.116 1.792) 3.595 52.158 ( 0.000 3.116 1.792) 3.595 52.676 ( 0.000 -4.698 -4.005) 6.173 52.676 ( 0.000 4.698 -4.005) 6.173 54.903 ( 0.000 -3.379 -0.127) 3.382 54.903 ( 0.000 3.379 -0.127) 3.382 55.158 ( 0.000 -2.531 1.937) 3.187 55.158 ( 0.000 2.531 1.937) 3.187 61.010 ( 0.000 -0.228 0.090) 0.245 61.010 ( 0.000 0.228 0.090) 0.245 61.060 ( 0.000 -2.419 0.130) 2.423 61.060 ( 0.000 2.419 0.130) 2.423 61.098 ( 0.000 -4.335 0.197) 4.340 61.098 ( 0.000 4.335 0.197) 4.340 61.141 ( 0.000 -5.231 -0.609) 5.266 61.141 ( 0.000 5.231 -0.609) 5.266 64.098 ( 0.000 -0.862 0.319) 0.919 64.098 ( 0.000 0.862 0.319) 0.919 64.108 ( 0.000 -1.148 -0.529) 1.264 64.108 ( 0.000 1.148 -0.529) 1.264 ======================= Grid point 137 (53/54) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 5.167 -3.964 -0.787) 6.559 1.535 ( 5.167 3.964 -0.787) 6.559 1.776 ( 4.875 -3.167 1.683) 6.052 1.776 ( 4.875 3.167 1.683) 6.052 1.885 ( 5.672 -2.148 -6.170) 8.652 1.885 ( 5.672 2.148 -6.170) 8.652 2.401 ( -5.158 -0.312 3.350) 6.158 2.401 ( -5.158 0.312 3.350) 6.158 2.483 ( -4.315 -4.835 -1.025) 6.561 2.483 ( -4.315 4.835 -1.025) 6.561 2.577 ( -6.860 -0.766 0.513) 6.922 2.577 ( -6.860 0.766 0.513) 6.922 2.926 ( 2.315 -1.485 2.411) 3.658 2.926 ( 2.315 1.485 2.411) 3.658 2.973 ( 0.494 -0.872 -0.970) 1.395 2.973 ( 0.494 0.872 -0.970) 1.395 3.499 ( 6.527 -2.017 -1.086) 6.917 3.499 ( 6.527 2.017 -1.086) 6.917 3.806 ( -5.363 -0.839 -6.351) 8.354 3.806 ( -5.363 0.839 -6.351) 8.354 4.270 ( 3.399 -1.135 3.538) 5.036 4.270 ( 3.399 1.135 3.538) 5.036 4.378 ( -6.023 -1.584 -2.633) 6.761 4.378 ( -6.023 1.584 -2.633) 6.761 4.462 ( -1.453 -1.316 0.497) 2.023 4.462 ( -1.453 1.316 0.497) 2.023 4.581 ( -2.153 -1.231 -0.159) 2.485 4.581 ( -2.153 1.231 -0.159) 2.485 4.887 ( -3.273 -0.271 3.273) 4.636 4.887 ( -3.273 0.271 3.273) 4.636 4.902 ( 0.160 -1.357 0.252) 1.389 4.902 ( 0.160 1.357 0.252) 1.389 5.228 ( 3.235 -2.921 0.595) 4.399 5.228 ( 3.235 2.921 0.595) 4.399 5.308 ( -2.979 -1.341 0.178) 3.272 5.308 ( -2.979 1.341 0.178) 3.272 5.432 ( -2.238 -1.433 -0.956) 2.824 5.432 ( -2.238 1.433 -0.956) 2.824 5.758 ( 1.604 -2.258 -0.692) 2.855 5.758 ( 1.604 2.258 -0.692) 2.855 6.053 ( 8.731 -3.968 11.590) 15.043 6.053 ( 8.731 3.968 11.590) 15.043 6.307 ( 3.401 -2.469 -8.156) 9.175 6.307 ( 3.401 2.469 -8.156) 9.175 6.537 ( 1.186 -0.869 -0.518) 1.559 6.537 ( 1.186 0.869 -0.518) 1.559 6.926 ( -3.981 -0.398 -3.833) 5.541 6.926 ( -3.981 0.398 -3.833) 5.541 8.215 ( 0.070 -1.582 2.336) 2.822 8.215 ( 0.070 1.582 2.336) 2.822 8.258 ( -0.829 -2.467 0.259) 2.615 8.258 ( -0.829 2.467 0.259) 2.615 12.930 ( 1.031 -0.350 -0.076) 1.092 12.930 ( 1.031 0.350 -0.076) 1.092 13.038 ( -1.253 -1.045 0.400) 1.679 13.038 ( -1.253 1.045 0.400) 1.679 13.419 ( 0.413 -0.254 -0.113) 0.497 13.419 ( 0.413 0.254 -0.113) 0.497 13.455 ( -0.315 -0.490 -0.140) 0.599 13.455 ( -0.315 0.490 -0.140) 0.599 20.309 ( 0.124 -0.470 0.479) 0.683 20.309 ( 0.124 0.470 0.479) 0.683 20.325 ( -0.219 -0.346 -0.698) 0.809 20.325 ( -0.219 0.346 -0.698) 0.809 20.617 ( 0.208 -0.164 0.200) 0.332 20.617 ( 0.208 0.164 0.200) 0.332 20.639 ( -0.245 -0.124 -0.088) 0.288 20.639 ( -0.245 0.124 -0.088) 0.288 20.859 ( 0.033 -0.212 0.116) 0.244 20.859 ( 0.033 0.212 0.116) 0.244 20.863 ( -0.050 -0.172 -0.151) 0.234 20.863 ( -0.050 0.172 -0.151) 0.234 22.339 ( 0.106 -0.079 -0.013) 0.133 22.339 ( 0.106 0.079 -0.013) 0.133 22.345 ( -0.021 -0.318 0.020) 0.319 22.345 ( -0.021 0.318 0.020) 0.319 23.770 ( 0.399 -0.049 -0.031) 0.403 23.770 ( 0.399 0.049 -0.031) 0.403 23.803 ( -0.298 -0.036 0.113) 0.321 23.803 ( -0.298 0.036 0.113) 0.321 24.399 ( 0.154 -0.134 -0.008) 0.204 24.399 ( 0.154 0.134 -0.008) 0.204 24.416 ( -0.182 -0.255 0.012) 0.314 24.416 ( -0.182 0.255 0.012) 0.314 24.714 ( 0.240 -0.083 0.110) 0.276 24.714 ( 0.240 0.083 0.110) 0.276 24.742 ( -0.360 -0.103 -0.131) 0.397 24.742 ( -0.360 0.103 -0.131) 0.397 26.225 ( 0.023 -0.111 0.007) 0.113 26.225 ( 0.023 0.111 0.007) 0.113 26.227 ( -0.028 -0.048 0.002) 0.055 26.227 ( -0.028 0.048 0.002) 0.055 29.017 ( 0.170 -0.143 0.333) 0.400 29.017 ( 0.170 0.143 0.333) 0.400 29.031 ( -0.116 -0.233 -0.323) 0.415 29.031 ( -0.116 0.233 -0.323) 0.415 50.204 ( 2.101 -1.286 0.322) 2.484 50.204 ( 2.101 1.286 0.322) 2.484 50.328 ( 0.252 -0.324 -0.246) 0.479 50.328 ( 0.252 0.324 -0.246) 0.479 52.176 ( 1.759 -2.440 1.961) 3.590 52.176 ( 1.759 2.440 1.961) 3.590 52.585 ( -7.566 -4.143 -3.381) 9.265 52.585 ( -7.566 4.143 -3.381) 9.265 54.915 ( 1.175 -3.321 -0.083) 3.524 54.915 ( 1.175 3.321 -0.083) 3.524 55.119 ( -3.245 -2.769 1.571) 4.546 55.119 ( -3.245 2.769 1.571) 4.546 61.022 ( 0.572 -5.512 0.251) 5.547 61.022 ( 0.572 5.512 0.251) 5.547 61.044 ( -0.567 -4.612 -0.717) 4.702 61.044 ( -0.567 4.612 -0.717) 4.702 61.131 ( 2.129 -7.278 0.897) 7.636 61.131 ( 2.129 7.278 0.897) 7.636 61.156 ( 1.376 -7.639 -0.806) 7.804 61.156 ( 1.376 7.639 -0.807) 7.804 64.106 ( 0.626 -0.845 0.339) 1.105 64.106 ( 0.626 0.845 0.339) 1.105 64.114 ( 0.508 -0.968 -0.416) 1.170 64.114 ( 0.508 0.968 -0.416) 1.170 ======================= Grid point 139 (54/54) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 6.954 -3.931 -1.605) 8.148 1.675 ( 6.954 3.931 -1.605) 8.148 1.793 ( -2.841 -4.064 -2.852) 5.720 1.793 ( -2.841 4.064 -2.852) 5.720 2.100 ( 10.459 -3.717 -0.687) 11.121 2.100 ( 10.459 3.717 -0.687) 11.121 2.267 ( -6.148 -2.399 1.408) 6.748 2.267 ( -6.148 2.399 1.408) 6.748 2.401 ( -1.550 -4.142 -0.046) 4.423 2.401 ( -1.550 4.142 -0.046) 4.423 2.450 ( -4.915 -1.734 -0.385) 5.226 2.450 ( -4.915 1.734 -0.385) 5.226 2.955 ( 0.667 -1.791 1.234) 2.275 2.955 ( 0.667 1.791 1.234) 2.275 2.972 ( -0.721 -1.656 -0.046) 1.806 2.972 ( -0.721 1.656 -0.046) 1.806 3.616 ( 3.873 -2.071 -1.492) 4.638 3.616 ( 3.873 2.071 -1.492) 4.638 3.697 ( -4.242 -1.351 -4.142) 6.081 3.697 ( -4.242 1.351 -4.142) 6.081 4.257 ( 0.252 -1.500 0.859) 1.747 4.257 ( 0.252 1.500 0.859) 1.747 4.314 ( -3.280 -1.425 0.176) 3.580 4.314 ( -3.280 1.425 0.176) 3.580 4.481 ( 2.978 -2.039 2.646) 4.475 4.481 ( 2.978 2.039 2.646) 4.475 4.540 ( -2.173 -1.573 0.667) 2.764 4.540 ( -2.173 1.573 0.667) 2.764 4.842 ( 0.156 -0.449 0.032) 0.476 4.842 ( 0.156 0.449 0.032) 0.476 4.877 ( -2.048 -1.152 -0.693) 2.450 4.877 ( -2.048 1.152 -0.693) 2.450 5.209 ( -0.049 -3.527 3.489) 4.961 5.209 ( -0.049 3.527 3.489) 4.961 5.257 ( -3.863 -2.844 0.772) 4.858 5.257 ( -3.863 2.844 0.772) 4.858 5.531 ( 8.569 -1.340 -1.637) 8.826 5.531 ( 8.569 1.340 -1.637) 8.826 5.699 ( -6.022 -2.104 -1.155) 6.482 5.699 ( -6.022 2.104 -1.155) 6.482 6.244 ( 7.333 -4.624 5.809) 10.436 6.244 ( 7.333 4.624 5.809) 10.436 6.346 ( -1.480 -4.239 -1.024) 4.605 6.346 ( -1.480 4.239 -1.024) 4.605 6.624 ( 7.256 -0.849 -3.173) 7.965 6.624 ( 7.256 0.849 -3.173) 7.965 6.799 ( -7.520 -0.731 -3.947) 8.525 6.799 ( -7.520 0.731 -3.947) 8.525 8.221 ( 0.503 -2.005 1.613) 2.622 8.221 ( 0.503 2.005 1.613) 2.622 8.237 ( -0.973 -2.322 0.797) 2.640 8.237 ( -0.973 2.322 0.797) 2.640 12.961 ( 1.764 -0.622 0.085) 1.873 12.961 ( 1.764 0.622 0.085) 1.873 13.003 ( -1.899 -0.871 0.265) 2.106 13.003 ( -1.899 0.871 0.265) 2.106 13.431 ( 0.637 -0.401 -0.133) 0.764 13.431 ( 0.637 0.401 -0.133) 0.764 13.445 ( -0.578 -0.473 -0.139) 0.760 13.445 ( -0.578 0.473 -0.139) 0.760 20.313 ( 0.244 -0.324 0.130) 0.426 20.313 ( 0.244 0.324 0.130) 0.426 20.319 ( -0.302 -0.241 -0.317) 0.500 20.319 ( -0.302 0.241 -0.317) 0.500 20.623 ( 0.354 -0.166 0.116) 0.408 20.623 ( 0.354 0.166 0.116) 0.408 20.632 ( -0.376 -0.153 0.007) 0.406 20.632 ( -0.376 0.153 0.007) 0.406 20.860 ( 0.064 -0.103 0.022) 0.123 20.860 ( 0.064 0.103 0.022) 0.123 20.862 ( -0.074 -0.062 -0.078) 0.124 20.862 ( -0.074 0.062 -0.078) 0.124 22.341 ( 0.133 -0.158 -0.006) 0.207 22.341 ( 0.133 0.158 -0.006) 0.207 22.344 ( -0.080 -0.245 0.007) 0.258 22.344 ( -0.080 0.245 0.007) 0.258 23.781 ( 0.591 -0.052 0.015) 0.594 23.781 ( 0.591 0.052 0.015) 0.594 23.794 ( -0.529 -0.051 0.069) 0.536 23.794 ( -0.529 0.051 0.069) 0.536 24.404 ( 0.267 -0.215 -0.004) 0.343 24.404 ( 0.267 0.215 -0.004) 0.343 24.410 ( -0.285 -0.255 0.002) 0.382 24.410 ( -0.285 0.255 0.002) 0.382 24.721 ( 0.448 -0.106 0.037) 0.461 24.721 ( 0.448 0.106 0.037) 0.461 24.732 ( -0.521 -0.116 -0.053) 0.537 24.732 ( -0.521 0.116 -0.053) 0.537 26.225 ( 0.039 -0.096 0.005) 0.104 26.225 ( 0.039 0.096 0.005) 0.104 26.226 ( -0.042 -0.075 0.003) 0.086 26.226 ( -0.042 0.075 0.003) 0.086 29.022 ( 0.247 -0.182 0.125) 0.332 29.022 ( 0.247 0.182 0.125) 0.332 29.027 ( -0.214 -0.215 -0.124) 0.327 29.027 ( -0.214 0.215 -0.124) 0.327 50.264 ( 3.042 -1.422 -0.090) 3.360 50.264 ( 3.042 1.422 -0.090) 3.360 50.317 ( -1.509 -0.980 -0.411) 1.846 50.317 ( -1.509 0.980 -0.411) 1.846 52.246 ( 4.946 -1.149 1.138) 5.203 52.246 ( 4.946 1.149 1.138) 5.203 52.396 ( -8.582 -2.516 -1.350) 9.044 52.396 ( -8.582 2.516 -1.350) 9.044 54.958 ( 2.803 -3.136 0.179) 4.210 54.958 ( 2.803 3.136 0.179) 4.210 55.035 ( -4.032 -2.969 0.801) 5.071 55.035 ( -4.032 2.969 0.801) 5.071 61.028 ( 0.267 -9.033 -0.065) 9.037 61.028 ( 0.267 9.033 -0.065) 9.037 61.037 ( -0.392 -8.716 -0.761) 8.758 61.037 ( -0.392 8.716 -0.761) 8.758 61.175 ( 1.499 -7.570 0.501) 7.733 61.175 ( 1.499 7.570 0.501) 7.733 61.184 ( 0.703 -7.720 -0.350) 7.759 61.184 ( 0.703 7.720 -0.350) 7.759 64.120 ( 0.519 -0.712 0.234) 0.911 64.120 ( 0.519 0.712 0.234) 0.911 64.123 ( 0.196 -0.694 -0.095) 0.728 64.123 ( 0.196 0.694 -0.095) 0.728 =================== 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 3/30000 10.0 176.529 313.233 180.876 0.000 0.000 -0.000 3/30000 20.0 45.334 87.776 38.129 0.000 0.000 -0.000 3/30000 30.0 21.093 42.171 17.507 0.000 0.000 -0.000 3/30000 40.0 12.288 24.184 10.245 0.000 0.000 -0.000 3/30000 50.0 8.221 15.806 6.888 0.000 0.000 -0.000 3/30000 60.0 6.042 11.362 5.079 0.000 0.000 -0.000 3/30000 70.0 4.738 8.741 3.991 0.000 0.000 -0.000 3/30000 80.0 3.888 7.060 3.279 0.000 0.000 -0.000 3/30000 90.0 3.296 5.908 2.782 0.000 0.000 -0.000 3/30000 100.0 2.861 5.078 2.417 0.000 0.000 -0.000 3/30000 110.0 2.530 4.453 2.138 0.000 0.000 -0.000 3/30000 120.0 2.268 3.967 1.918 0.000 0.000 -0.000 3/30000 130.0 2.056 3.578 1.739 0.000 0.000 -0.000 3/30000 140.0 1.882 3.261 1.592 0.000 0.000 -0.000 3/30000 150.0 1.735 2.996 1.469 0.000 0.000 -0.000 3/30000 160.0 1.609 2.772 1.363 0.000 0.000 -0.000 3/30000 170.0 1.501 2.580 1.272 0.000 0.000 -0.000 3/30000 180.0 1.407 2.413 1.192 0.000 0.000 -0.000 3/30000 190.0 1.324 2.267 1.122 0.000 0.000 -0.000 3/30000 200.0 1.250 2.138 1.060 0.000 0.000 -0.000 3/30000 210.0 1.184 2.024 1.005 0.000 0.000 -0.000 3/30000 220.0 1.125 1.921 0.955 0.000 0.000 -0.000 3/30000 230.0 1.071 1.828 0.909 0.000 0.000 -0.000 3/30000 240.0 1.023 1.744 0.868 0.000 0.000 -0.000 3/30000 250.0 0.978 1.667 0.831 0.000 0.000 -0.000 3/30000 260.0 0.938 1.598 0.797 0.000 0.000 -0.000 3/30000 270.0 0.900 1.533 0.765 0.000 0.000 -0.000 3/30000 280.0 0.866 1.475 0.736 0.000 0.000 -0.000 3/30000 290.0 0.834 1.420 0.709 0.000 0.000 -0.000 3/30000 300.0 0.805 1.370 0.685 0.000 0.000 -0.000 3/30000 310.0 0.777 1.323 0.661 0.000 0.000 -0.000 3/30000 320.0 0.752 1.280 0.640 0.000 0.000 -0.000 3/30000 330.0 0.728 1.239 0.620 0.000 0.000 -0.000 3/30000 340.0 0.705 1.201 0.601 0.000 0.000 -0.000 3/30000 350.0 0.684 1.166 0.583 0.000 0.000 -0.000 3/30000 360.0 0.664 1.132 0.567 0.000 0.000 -0.000 3/30000 370.0 0.646 1.101 0.551 0.000 0.000 -0.000 3/30000 380.0 0.628 1.072 0.537 0.000 0.000 -0.000 3/30000 390.0 0.612 1.044 0.523 0.000 0.000 -0.000 3/30000 400.0 0.596 1.018 0.510 0.000 0.000 -0.000 3/30000 410.0 0.581 0.993 0.498 0.000 0.000 -0.000 3/30000 420.0 0.567 0.970 0.486 0.000 0.000 -0.000 3/30000 430.0 0.554 0.948 0.475 0.000 0.000 -0.000 3/30000 440.0 0.541 0.926 0.464 0.000 0.000 -0.000 3/30000 450.0 0.529 0.906 0.454 0.000 0.000 -0.000 3/30000 460.0 0.517 0.887 0.445 0.000 0.000 -0.000 3/30000 470.0 0.506 0.869 0.436 0.000 0.000 -0.000 3/30000 480.0 0.496 0.852 0.427 0.000 0.000 -0.000 3/30000 490.0 0.485 0.835 0.419 0.000 0.000 -0.000 3/30000 500.0 0.476 0.820 0.411 0.000 0.000 -0.000 3/30000 510.0 0.466 0.804 0.403 0.000 0.000 -0.000 3/30000 520.0 0.458 0.790 0.396 0.000 0.000 -0.000 3/30000 530.0 0.449 0.776 0.389 0.000 0.000 -0.000 3/30000 540.0 0.441 0.763 0.383 0.000 0.000 -0.000 3/30000 550.0 0.433 0.750 0.376 0.000 0.000 -0.000 3/30000 560.0 0.425 0.737 0.370 0.000 0.000 -0.000 3/30000 570.0 0.418 0.726 0.364 0.000 0.000 -0.000 3/30000 580.0 0.411 0.714 0.358 0.000 0.000 -0.000 3/30000 590.0 0.404 0.703 0.353 0.000 0.000 -0.000 3/30000 600.0 0.398 0.692 0.348 0.000 0.000 -0.000 3/30000 610.0 0.391 0.682 0.343 0.000 0.000 -0.000 3/30000 620.0 0.385 0.672 0.338 0.000 0.000 -0.000 3/30000 630.0 0.379 0.663 0.333 0.000 0.000 -0.000 3/30000 640.0 0.373 0.653 0.328 0.000 0.000 -0.000 3/30000 650.0 0.368 0.644 0.324 0.000 0.000 -0.000 3/30000 660.0 0.362 0.636 0.319 0.000 0.000 -0.000 3/30000 670.0 0.357 0.627 0.315 0.000 0.000 -0.000 3/30000 680.0 0.352 0.619 0.311 0.000 0.000 -0.000 3/30000 690.0 0.347 0.611 0.307 0.000 0.000 -0.000 3/30000 700.0 0.342 0.603 0.303 0.000 0.000 -0.000 3/30000 710.0 0.338 0.596 0.300 0.000 0.000 -0.000 3/30000 720.0 0.333 0.589 0.296 0.000 0.000 -0.000 3/30000 730.0 0.329 0.581 0.292 0.000 0.000 -0.000 3/30000 740.0 0.325 0.575 0.289 0.000 0.000 -0.000 3/30000 750.0 0.320 0.568 0.286 0.000 0.000 -0.000 3/30000 760.0 0.316 0.561 0.282 0.000 0.000 -0.000 3/30000 770.0 0.312 0.555 0.279 0.000 0.000 -0.000 3/30000 780.0 0.309 0.549 0.276 0.000 0.000 -0.000 3/30000 790.0 0.305 0.543 0.273 0.000 0.000 -0.000 3/30000 800.0 0.301 0.537 0.270 0.000 0.000 -0.000 3/30000 810.0 0.298 0.531 0.267 0.000 0.000 -0.000 3/30000 820.0 0.294 0.525 0.265 0.000 0.000 -0.000 3/30000 830.0 0.291 0.520 0.262 0.000 0.000 -0.000 3/30000 840.0 0.288 0.514 0.259 0.000 0.000 -0.000 3/30000 850.0 0.284 0.509 0.256 0.000 0.000 -0.000 3/30000 860.0 0.281 0.504 0.254 0.000 0.000 -0.000 3/30000 870.0 0.278 0.499 0.251 0.000 0.000 -0.000 3/30000 880.0 0.275 0.494 0.249 0.000 0.000 -0.000 3/30000 890.0 0.272 0.489 0.247 0.000 0.000 -0.000 3/30000 900.0 0.269 0.484 0.244 0.000 0.000 -0.000 3/30000 910.0 0.266 0.480 0.242 0.000 0.000 -0.000 3/30000 920.0 0.264 0.475 0.240 0.000 0.000 -0.000 3/30000 930.0 0.261 0.471 0.237 0.000 0.000 -0.000 3/30000 940.0 0.258 0.466 0.235 0.000 0.000 -0.000 3/30000 950.0 0.256 0.462 0.233 0.000 0.000 -0.000 3/30000 960.0 0.253 0.458 0.231 0.000 0.000 -0.000 3/30000 970.0 0.251 0.454 0.229 0.000 0.000 -0.000 3/30000 980.0 0.248 0.450 0.227 0.000 0.000 -0.000 3/30000 990.0 0.246 0.446 0.225 0.000 0.000 -0.000 3/30000 1000.0 0.243 0.442 0.223 0.000 0.000 -0.000 3/30000 Thermal conductivity related properties were written into "kappa-m5105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:22:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|